Detailed results of LKR112_R3_em_bcr3 by PSVS
Output from PDBStat
Constraints analysis
table of NOE constraints
# -------------- SUMMARY OF RESTRAINTS ---------------
# TOTAL NUMBER OF NOE RESTRAINTS : 2542
# INTRA-RESIDUE RESTRAINTS (I=J) : 485
# SEQUENTIAL RESTRAINTS (I-J)=1 : 722
# BACKBONE-BACKBONE : 169
# BACKBONE-SIDE CHAIN : 136
# SIDE CHAIN-SIDE CHAIN : 417
# MEDIUM RANGE RESTRAINTS 1<(I-J)<5 : 314
# BACKBONE-BACKBONE : 46
# BACKBONE-SIDE CHAIN : 51
# SIDE CHAIN-SIDE CHAIN : 217
# LONG RANGE RESTRAINTS (I-J)>=5 : 1021
# TOTAL HYDROGEN BOND RESTRAINTS : 0
# LONG RANGE H-BOND RESTR. (I-J)>=5 : 0
# DISULFIDE RESTRAINTS : 0
# INTRA-CHAIN RESTRAINTS : 2542
# INTER-CHAIN RESTRAINTS : 0
# AMBIGUOUS RESTRAINTS : 0
# -----------------------------------------------------
# -----------------------------------------------------
# -----------------------------------------------------
# RES # INTRA INTER seq med lng InterChain
MET 1 0 0.0 0.0 0.0 0.0 0.0
LYS 2 1 0.0 0.0 0.0 0.0 0.0
ASN 3 4 2.0 2.0 0.0 0.0 0.0
THR 4 2 5.0 4.0 1.0 0.0 0.0
GLY 5 0 4.5 4.5 0.0 0.0 0.0
ASP 6 1 6.5 5.0 1.5 0.0 0.0
GLU 7 5 21.0 9.0 0.0 12.0 0.0
VAL 8 4 39.0 11.5 1.0 26.5 0.0
VAL 9 2 33.0 9.0 1.0 23.0 0.0
ALA 10 1 30.0 7.0 2.0 21.0 0.0
ILE 11 12 33.0 7.0 2.5 23.5 0.0
ILE 12 9 37.0 8.5 1.5 27.0 0.0
SER 13 0 27.5 8.5 3.0 16.0 0.0
GLN 14 11 37.0 12.5 3.0 21.5 0.0
ASN 15 5 26.0 12.0 3.5 10.5 0.0
GLY 16 0 6.0 4.0 1.5 0.5 0.0
LYS 17 4 14.5 5.5 9.0 0.0 0.0
VAL 18 5 21.5 12.0 3.5 6.0 0.0
ILE 19 10 39.0 15.0 3.0 21.0 0.0
ARG 20 8 31.5 14.0 7.5 10.0 0.0
GLU 21 5 24.0 11.0 1.0 12.0 0.0
ILE 22 12 32.5 13.0 7.5 12.0 0.0
PRO 23 0 18.5 9.5 1.0 8.0 0.0
LEU 24 10 41.5 4.5 5.0 32.0 0.0
THR 25 3 25.5 7.0 2.0 16.5 0.0
GLY 26 0 6.5 4.5 0.0 2.0 0.0
HIS 27 3 17.5 3.5 8.0 6.0 0.0
LYS 28 14 10.0 8.0 0.0 2.0 0.0
GLY 29 0 10.0 9.0 0.0 1.0 0.0
ASN 30 6 20.5 8.5 3.0 9.0 0.0
GLU 31 3 23.0 9.0 5.0 9.0 0.0
GLN 32 7 23.5 9.0 2.5 12.0 0.0
PHE 33 7 40.0 8.0 6.0 26.0 0.0
THR 34 3 19.5 6.5 4.0 9.0 0.0
ILE 35 11 31.5 6.0 4.5 21.0 0.0
LYS 36 13 13.0 7.0 4.0 2.0 0.0
GLY 37 0 11.5 5.5 3.0 3.0 0.0
LYS 38 8 7.5 5.5 2.0 0.0 0.0
GLY 39 0 7.5 5.0 2.5 0.0 0.0
ALA 40 0 4.5 2.5 0.5 1.5 0.0
GLN 41 8 19.5 4.5 7.5 7.5 0.0
TYR 42 6 28.0 5.5 4.0 18.5 0.0
ASN 43 3 26.5 4.5 0.5 21.5 0.0
LEU 44 11 40.0 5.5 3.5 31.0 0.0
MET 45 9 35.0 6.0 1.5 27.5 0.0
GLU 46 3 27.0 7.5 2.5 17.0 0.0
VAL 47 5 44.0 8.0 3.0 33.0 0.0
ASP 48 0 26.0 6.5 9.0 10.5 0.0
GLY 49 0 12.0 5.5 2.0 4.5 0.0
GLU 50 0 18.0 6.0 0.5 11.5 0.0
ARG 51 10 29.5 8.0 6.5 15.0 0.0
ILE 52 6 41.0 8.5 2.5 30.0 0.0
ARG 53 5 24.5 7.0 4.0 13.5 0.0
ILE 54 7 29.0 3.5 4.0 21.5 0.0
LYS 55 3 20.5 4.5 4.0 12.0 0.0
GLU 56 4 23.0 8.0 1.5 13.5 0.0
ASP 57 0 21.5 6.5 3.5 11.5 0.0
ASN 58 1 18.0 3.0 3.5 11.5 0.0
SER 59 0 13.5 3.5 7.0 3.0 0.0
PRO 60 0 11.5 6.0 1.5 4.0 0.0
ASP 61 1 12.5 5.0 6.5 1.0 0.0
GLN 62 7 24.0 4.0 19.0 1.0 0.0
VAL 63 4 19.5 5.5 14.0 0.0 0.0
GLY 64 0 14.5 4.5 4.5 5.5 0.0
VAL 65 5 24.5 5.0 12.0 7.5 0.0
LYS 66 18 16.5 7.5 9.0 0.0 0.0
MET 67 5 19.0 6.0 9.0 4.0 0.0
GLY 68 0 7.0 4.0 2.5 0.5 0.0
TRP 69 7 25.0 5.0 0.0 20.0 0.0
LYS 70 6 23.5 7.0 4.0 12.5 0.0
SER 71 0 20.0 7.5 0.5 12.0 0.0
LYS 72 10 14.5 7.5 3.5 3.5 0.0
ALA 73 1 20.0 7.5 1.5 11.0 0.0
GLY 74 0 10.5 4.5 1.0 5.0 0.0
ASP 75 3 19.5 4.5 4.0 11.0 0.0
THR 76 2 21.0 8.0 1.5 11.5 0.0
ILE 77 7 26.5 9.0 0.5 17.0 0.0
VAL 78 4 14.5 8.0 2.0 4.5 0.0
CYS 79 1 15.5 6.0 2.5 7.0 0.0
LEU 80 12 15.0 10.0 5.0 0.0 0.0
PRO 81 0 21.0 12.5 2.0 6.5 0.0
HIS 82 3 26.5 8.0 6.5 12.0 0.0
LYS 83 10 18.5 5.0 3.0 10.5 0.0
VAL 84 5 26.5 6.5 5.0 15.0 0.0
PHE 85 5 23.5 7.0 4.0 12.5 0.0
VAL 86 5 28.0 5.5 0.5 22.0 0.0
GLU 87 3 21.0 7.0 4.0 10.0 0.0
ILE 88 11 50.0 10.0 1.0 39.0 0.0
LYS 89 11 27.5 11.0 0.0 16.5 0.0
SER 90 3 19.5 8.0 2.5 9.0 0.0
THR 91 2 17.0 4.5 0.0 12.5 0.0
GLN 92 5 7.0 4.5 2.0 0.5 0.0
LYS 93 12 7.5 7.5 0.0 0.0 0.0
ASP 94 1 7.5 7.5 0.0 0.0 0.0
SER 95 0 7.0 7.0 0.0 0.0 0.0
LYS 96 9 9.0 9.0 0.0 0.0 0.0
ASP 97 3 10.0 9.5 0.5 0.0 0.0
PRO 98 0 7.0 7.0 0.0 0.0 0.0
ASP 99 1 5.5 5.0 0.5 0.0 0.0
THR 100 2 4.0 4.0 0.0 0.0 0.0
ASP 101 1 4.0 4.0 0.0 0.0 0.0
LEU 102 4 7.0 6.5 0.5 0.0 0.0
ILE 103 10 5.5 5.5 0.0 0.0 0.0
VAL 104 2 4.5 3.5 1.0 0.0 0.0
PRO 105 0 4.0 4.0 0.0 0.0 0.0
ASN 106 3 5.0 4.5 0.5 0.0 0.0
LEU 107 8 6.5 6.5 0.0 0.0 0.0
GLU 108 3 4.0 4.0 0.0 0.0 0.0
HIS 109 0 0.0 0.0 0.0 0.0 0.0
HIS 110 0 0.0 0.0 0.0 0.0 0.0
HIS 111 0 0.0 0.0 0.0 0.0 0.0
HIS 112 0 0.0 0.0 0.0 0.0 0.0
HIS 113 0 0.0 0.0 0.0 0.0 0.0
HIS 114 0 0.0 0.0 0.0 0.0 0.0
# TOTAL 485 2057.0 722.0 314.0 1021.0 0.0
# TOTAL NUMBER OF RESTRAINTS (CHECKING): 2542.0
List of conformationally-resticting NOE constraints
assign ((resid 85 and name HB1 )) ( (resid 85 and name HD1 )) 3.61 1.81 0.54
assign ((resid 76 and name HG2* )) ( (resid 85 and name HZ )) 3.74 1.94 0.56
assign ((resid 78 and name HG2* )) ( (resid 85 and name HZ )) 4.83 3.03 0.72
assign ((resid 27 and name HE1 )) ( (resid 31 and name HN )) 3.60 1.80 0.54
assign ((resid 27 and name HE1 )) ( (resid 49 and name HN )) 4.83 3.03 0.72
assign ((resid 27 and name HE1 )) ( (resid 30 and name HA )) 3.72 1.92 0.56
assign ((resid 27 and name HE1 )) ( (resid 48 and name HA )) 4.66 2.86 0.70
assign ((resid 27 and name HE1 )) ( (resid 31 and name HG2 )) 4.82 3.02 0.72
assign ((resid 27 and name HE1 )) ( (resid 31 and name HG1 )) 4.82 3.02 0.72
assign ((resid 27 and name HE1 )) ( (resid 31 and name HB2 )) 4.08 2.28 0.61
assign ((resid 27 and name HE1 )) ( (resid 31 and name HB1 )) 4.24 2.44 0.64
assign ((resid 27 and name HE1 )) ( (resid 47 and name HB )) 3.61 1.81 0.54
assign ((resid 27 and name HE1 )) ( (resid 47 and name HG2* )) 4.26 2.46 0.64
assign ((resid 27 and name HE1 )) ( (resid 47 and name HG1* )) 3.16 1.36 0.47
assign ((resid 27 and name HA )) ( (resid 27 and name HD2 )) 3.92 2.12 0.59
assign ((resid 22 and name HG2* )) ( (resid 27 and name HD2 )) 4.16 2.36 0.62
assign ((resid 27 and name HD2 )) ( (resid 47 and name HG1* )) 4.63 2.83 0.69
assign ((resid 82 and name HN )) ( (resid 82 and name HD2 )) 4.31 2.51 0.65
assign ((resid 41 and name HE21 )) ( (resid 82 and name HD2 )) 4.40 2.60 0.66
assign ((resid 82 and name HA )) ( (resid 82 and name HD2 )) 3.42 1.62 0.51
assign ((resid 41 and name HG2 )) ( (resid 82 and name HD2 )) 5.16 3.36 0.77
assign ((resid 41 and name HG1 )) ( (resid 82 and name HD2 )) 5.16 3.36 0.77
assign ((resid 81 and name HB2 )) ( (resid 82 and name HD2 )) 3.95 2.15 0.59
assign ((resid 42 and name HN )) ( (resid 82 and name HE1 )) 3.47 1.67 0.52
assign ((resid 58 and name HN )) ( (resid 82 and name HE1 )) 3.36 1.56 0.50
assign ((resid 59 and name HA )) ( (resid 82 and name HE1 )) 5.29 3.49 0.79
assign ((resid 41 and name HA )) ( (resid 82 and name HE1 )) 4.62 2.82 0.69
assign ((resid 57 and name HB2 )) ( (resid 82 and name HE1 )) 3.85 2.05 0.58
assign ((resid 57 and name HB1 )) ( (resid 82 and name HE1 )) 4.27 2.47 0.64
assign ((resid 33 and name HB1 )) ( (resid 33 and name HE1 )) 4.68 2.88 0.70
assign ((resid 33 and name HB2 )) ( (resid 33 and name HE2 )) 4.85 3.05 0.73
assign ((resid 33 and name HB1 )) ( (resid 33 and name HD1 )) 3.21 1.41 0.48
assign ((resid 33 and name HB2 )) ( (resid 33 and name HD2 )) 3.18 1.38 0.48
assign ((resid 33 and name HE2 )) ( (resid 45 and name HG1 )) 3.87 2.07 0.58
assign ((resid 33 and name HE2 )) ( (resid 35 and name HG11 )) 3.97 2.17 0.60
assign ((resid 33 and name HE2 )) ( (resid 45 and name HE* )) 4.02 2.22 0.60
assign ((resid 20 and name HG2 )) ( (resid 33 and name HE1 )) 5.64 3.84 0.85
assign ((resid 22 and name HG12 )) ( (resid 33 and name HE1 )) 4.49 2.69 0.67
assign ((resid 33 and name HE2 )) ( (resid 35 and name HG12 )) 3.95 2.15 0.59
assign ((resid 12 and name HG12 )) ( (resid 33 and name HE2 )) 3.96 2.16 0.59
assign ((resid 33 and name HE2 )) ( (resid 35 and name HD1* )) 3.05 1.25 0.46
assign ((resid 33 and name HE1 )) ( (resid 47 and name HG2* )) 3.37 1.57 0.51
assign ((resid 22 and name HD1* )) ( (resid 33 and name HE1 )) 3.24 1.44 0.49
assign ((resid 33 and name HE1 )) ( (resid 52 and name HD1* )) 3.63 1.83 0.54
assign ((resid 33 and name HE1 )) ( (resid 45 and name HB2 )) 4.44 2.64 0.67
assign ((resid 33 and name HE2 )) ( (resid 45 and name HB2 )) 4.67 2.87 0.70
assign ((resid 78 and name HA )) ( (resid 85 and name HD2 )) 4.02 2.22 0.60
assign ((resid 32 and name HA )) ( (resid 33 and name HD1 )) 4.10 2.30 0.62
assign ((resid 33 and name HD2 )) ( (resid 34 and name HA )) 5.12 3.32 0.77
assign ((resid 31 and name HG2 )) ( (resid 33 and name HD1 )) 4.32 2.52 0.65
assign ((resid 31 and name HG1 )) ( (resid 33 and name HD1 )) 4.32 2.52 0.65
assign ((resid 33 and name HD2 )) ( (resid 45 and name HG2 )) 3.97 2.17 0.60
assign ((resid 33 and name HD2 )) ( (resid 35 and name HG11 )) 3.92 2.12 0.59
assign ((resid 33 and name HD2 )) ( (resid 35 and name HG12 )) 4.04 2.24 0.61
assign ((resid 33 and name HD1 )) ( (resid 47 and name HG2* )) 3.60 1.80 0.54
assign ((resid 22 and name HD1* )) ( (resid 33 and name HD1 )) 3.52 1.72 0.53
assign ((resid 33 and name HD1 )) ( (resid 45 and name HB2 )) 4.61 2.81 0.69
assign ((resid 33 and name HD2 )) ( (resid 45 and name HB2 )) 4.87 3.07 0.73
assign ((resid 81 and name HA )) ( (resid 82 and name HD2 )) 5.61 3.81 0.84
assign ((resid 48 and name HB1 )) ( (resid 69 and name HH2 )) 3.69 1.89 0.55
assign ((resid 48 and name HB2 )) ( (resid 69 and name HH2 )) 3.83 2.03 0.57
assign ((resid 52 and name HA )) ( (resid 69 and name HZ3 )) 4.14 2.34 0.62
assign ((resid 47 and name HA )) ( (resid 69 and name HZ3 )) 4.22 2.42 0.63
assign ((resid 48 and name HB1 )) ( (resid 69 and name HZ3 )) 4.15 2.35 0.62
assign ((resid 48 and name HB2 )) ( (resid 69 and name HZ3 )) 4.73 2.93 0.71
assign ((resid 51 and name HB2 )) ( (resid 69 and name HZ3 )) 4.44 2.64 0.67
assign ((resid 27 and name HD2 )) ( (resid 28 and name HN )) 4.78 2.98 0.72
assign ((resid 69 and name HN )) ( (resid 69 and name HD1 )) 3.56 1.76 0.53
assign ((resid 41 and name HB1 )) ( (resid 82 and name HE1 )) 4.44 2.64 0.67
assign ((resid 42 and name HD1 )) ( (resid 58 and name HD22 )) 4.39 2.59 0.66
assign ((resid 41 and name HA )) ( (resid 42 and name HD1 )) 4.10 2.30 0.62
assign ((resid 42 and name HB1 )) ( (resid 42 and name HD1 )) 3.20 1.40 0.48
assign ((resid 42 and name HB2 )) ( (resid 42 and name HD2 )) 3.31 1.51 0.50
assign ((resid 42 and name HD2 )) ( (resid 44 and name HB2 )) 3.77 1.97 0.57
assign ((resid 34 and name HG2* )) ( (resid 42 and name HD2 )) 3.17 1.37 0.48
assign ((resid 42 and name HE1 )) ( (resid 58 and name HD22 )) 4.37 2.57 0.66
assign ((resid 42 and name HE1 )) ( (resid 58 and name HB2 )) 4.16 2.36 0.62
assign ((resid 42 and name HE1 )) ( (resid 58 and name HB1 )) 4.16 2.36 0.62
assign ((resid 42 and name HE2 )) ( (resid 56 and name HG1 )) 4.39 2.59 0.66
assign ((resid 42 and name HE2 )) ( (resid 44 and name HB2 )) 3.45 1.65 0.52
assign ((resid 34 and name HG2* )) ( (resid 42 and name HE2 )) 4.55 2.75 0.68
assign ((resid 42 and name HE2 )) ( (resid 44 and name HD2* )) 3.74 1.94 0.56
assign ((resid 48 and name HB1 )) ( (resid 69 and name HZ2 )) 5.36 3.56 0.80
assign ((resid 76 and name HB )) ( (resid 85 and name HE1 )) 4.33 2.53 0.65
assign ((resid 51 and name HB2 )) ( (resid 69 and name HE3 )) 3.66 1.86 0.55
assign ((resid 51 and name HG2 )) ( (resid 69 and name HE3 )) 4.62 2.82 0.69
assign ((resid 51 and name HG1 )) ( (resid 69 and name HE3 )) 4.39 2.59 0.66
assign ((resid 53 and name HB1 )) ( (resid 69 and name HE3 )) 4.22 2.42 0.63
assign ((resid 33 and name HZ )) ( (resid 45 and name HG1 )) 4.24 2.44 0.64
assign ((resid 12 and name HG11 )) ( (resid 33 and name HZ )) 4.70 2.90 0.70
assign ((resid 12 and name HG12 )) ( (resid 33 and name HZ )) 4.29 2.49 0.64
assign ((resid 33 and name HZ )) ( (resid 45 and name HB1 )) 4.80 3.00 0.72
assign ((resid 12 and name HD1* )) ( (resid 33 and name HZ )) 3.17 1.37 0.48
assign ((resid 33 and name HZ )) ( (resid 52 and name HD1* )) 3.33 1.53 0.50
assign ((resid 76 and name HB )) ( (resid 85 and name HZ )) 4.32 2.52 0.65
assign ((resid 43 and name HD21 )) ( (resid 82 and name HE1 )) 4.49 2.69 0.67
assign ((resid 43 and name HD22 )) ( (resid 82 and name HE1 )) 4.49 2.69 0.67
assign ((resid 33 and name HD2 )) ( (resid 35 and name HD1* )) 3.45 1.65 0.52
assign ((resid 12 and name HB )) ( (resid 33 and name HE2 )) 4.55 2.75 0.68
assign ((resid 22 and name HG12 )) ( (resid 33 and name HD1 )) 5.05 3.25 0.76
assign ((resid 20 and name HG2 )) ( (resid 33 and name HD1 )) 5.56 3.76 0.83
assign ((resid 69 and name HA )) ( (resid 69 and name HE3 )) 4.25 2.45 0.64
assign ((resid 85 and name HE1 )) ( (resid 87 and name HB2 )) 4.16 2.36 0.62
assign ((resid 85 and name HE1 )) ( (resid 87 and name HB1 )) 4.16 2.36 0.62
assign ((resid 43 and name HA )) ( (resid 82 and name HE1 )) 3.63 1.83 0.54
assign ((resid 57 and name HA )) ( (resid 82 and name HE1 )) 4.24 2.44 0.64
assign ((resid 48 and name HN )) ( (resid 69 and name HH2 )) 4.44 2.64 0.67
assign ((resid 4 and name HA )) ( (resid 5 and name HN )) 3.21 1.41 0.48
assign ((resid 3 and name HA )) ( (resid 4 and name HA )) 4.50 2.70 0.68
assign ((resid 4 and name HA )) ( (resid 4 and name HG2* )) 3.22 1.42 0.48
assign ((resid 91 and name HA )) ( (resid 91 and name HG2* )) 3.07 1.27 0.46
assign ((resid 8 and name HG1* )) ( (resid 72 and name HA )) 4.06 2.26 0.61
assign ((resid 7 and name HA )) ( (resid 25 and name HN )) 4.44 2.64 0.67
assign ((resid 7 and name HA )) ( (resid 25 and name HB )) 3.77 1.97 0.57
assign ((resid 76 and name HA )) ( (resid 87 and name HA )) 3.47 1.67 0.52
assign ((resid 7 and name HB1 )) ( (resid 8 and name HA )) 4.30 2.50 0.65
assign ((resid 8 and name HA )) ( (resid 73 and name HB* )) 4.99 3.19 0.75
assign ((resid 76 and name HA )) ( (resid 76 and name HG2* )) 3.21 1.41 0.48
assign ((resid 8 and name HA )) ( (resid 8 and name HG1* )) 3.10 1.30 0.47
assign ((resid 8 and name HA )) ( (resid 88 and name HG2* )) 4.21 2.41 0.63
assign ((resid 9 and name HA )) ( (resid 23 and name HA )) 3.27 1.47 0.49
assign ((resid 9 and name HA )) ( (resid 24 and name HG )) 4.21 2.41 0.63
assign ((resid 9 and name HA )) ( (resid 9 and name HG1* )) 3.33 1.53 0.50
assign ((resid 10 and name HA )) ( (resid 89 and name HN )) 4.25 2.45 0.64
assign ((resid 10 and name HA )) ( (resid 88 and name HG12 )) 4.17 2.37 0.63
assign ((resid 10 and name HA )) ( (resid 24 and name HD1* )) 4.03 2.23 0.60
assign ((resid 10 and name HA )) ( (resid 88 and name HG11 )) 4.46 2.66 0.67
assign ((resid 10 and name HA )) ( (resid 86 and name HG1* )) 4.67 2.87 0.70
assign ((resid 11 and name HA )) ( (resid 21 and name HA )) 3.50 1.70 0.53
assign ((resid 11 and name HA )) ( (resid 21 and name HB2 )) 4.61 2.81 0.69
assign ((resid 11 and name HA )) ( (resid 12 and name HG11 )) 4.46 2.66 0.67
assign ((resid 11 and name HA )) ( (resid 11 and name HG12 )) 3.98 2.18 0.60
assign ((resid 11 and name HA )) ( (resid 11 and name HG11 )) 3.96 2.16 0.59
assign ((resid 10 and name HB* )) ( (resid 11 and name HA )) 4.42 2.62 0.66
assign ((resid 11 and name HA )) ( (resid 11 and name HD1* )) 3.40 1.60 0.51
assign ((resid 13 and name HA )) ( (resid 19 and name HG12 )) 4.19 2.39 0.63
assign ((resid 13 and name HA )) ( (resid 19 and name HD1* )) 4.73 2.93 0.71
assign ((resid 14 and name HA )) ( (resid 84 and name HA )) 3.70 1.90 0.56
assign ((resid 14 and name HA )) ( (resid 15 and name HA )) 4.61 2.81 0.69
assign ((resid 14 and name HA )) ( (resid 14 and name HG1 )) 3.46 1.66 0.52
assign ((resid 14 and name HA )) ( (resid 14 and name HG2 )) 3.94 2.14 0.59
assign ((resid 14 and name HA )) ( (resid 84 and name HG2* )) 3.81 2.01 0.57
assign ((resid 15 and name HA )) ( (resid 15 and name HD21 )) 4.43 2.63 0.66
assign ((resid 14 and name HG1 )) ( (resid 15 and name HA )) 4.97 3.17 0.75
assign ((resid 15 and name HA )) ( (resid 83 and name HB1 )) 3.60 1.80 0.54
assign ((resid 15 and name HA )) ( (resid 83 and name HD2 )) 4.27 2.47 0.64
assign ((resid 15 and name HA )) ( (resid 83 and name HD1 )) 4.27 2.47 0.64
assign ((resid 13 and name HA )) ( (resid 18 and name HA )) 3.31 1.51 0.50
assign ((resid 18 and name HA )) ( (resid 19 and name HG12 )) 4.27 2.47 0.64
assign ((resid 18 and name HA )) ( (resid 18 and name HG2* )) 3.06 1.26 0.46
assign ((resid 18 and name HA )) ( (resid 18 and name HG1* )) 3.22 1.42 0.48
assign ((resid 77 and name HA )) ( (resid 78 and name HA )) 4.58 2.78 0.69
assign ((resid 19 and name HA )) ( (resid 19 and name HG2* )) 2.94 1.14 0.44
assign ((resid 19 and name HD1* )) ( (resid 20 and name HA )) 5.90 4.10 0.89
assign ((resid 20 and name HA )) ( (resid 22 and name HG11 )) 6.35 4.55 0.95
assign ((resid 21 and name HA )) ( (resid 21 and name HG2 )) 3.81 2.01 0.57
assign ((resid 21 and name HA )) ( (resid 21 and name HG1 )) 3.81 2.01 0.57
assign ((resid 20 and name HG1 )) ( (resid 21 and name HA )) 4.41 2.61 0.66
assign ((resid 11 and name HD1* )) ( (resid 21 and name HA )) 3.59 1.79 0.54
assign ((resid 22 and name HA )) ( (resid 23 and name HG2 )) 4.42 2.62 0.66
assign ((resid 22 and name HA )) ( (resid 23 and name HG1 )) 4.42 2.62 0.66
assign ((resid 22 and name HA )) ( (resid 22 and name HG12 )) 3.85 2.05 0.58
assign ((resid 22 and name HA )) ( (resid 22 and name HG11 )) 3.68 1.88 0.55
assign ((resid 9 and name HG1* )) ( (resid 22 and name HA )) 5.36 3.56 0.80
assign ((resid 22 and name HA )) ( (resid 22 and name HG2* )) 3.21 1.41 0.48
assign ((resid 22 and name HA )) ( (resid 23 and name HA )) 4.62 2.82 0.69
assign ((resid 23 and name HA )) ( (resid 24 and name HG )) 4.37 2.57 0.66
assign ((resid 9 and name HG1* )) ( (resid 23 and name HA )) 3.20 1.40 0.48
assign ((resid 96 and name HA )) ( (resid 97 and name HA )) 4.63 2.83 0.69
assign ((resid 24 and name HA )) ( (resid 27 and name HB1 )) 4.40 2.60 0.66
assign ((resid 24 and name HA )) ( (resid 24 and name HD1* )) 4.06 2.26 0.61
assign ((resid 59 and name HA )) ( (resid 60 and name HD1 )) 3.34 1.54 0.50
assign ((resid 59 and name HA )) ( (resid 81 and name HG2 )) 5.31 3.51 0.80
assign ((resid 28 and name HA )) ( (resid 28 and name HG1 )) 3.99 2.19 0.60
assign ((resid 30 and name HA )) ( (resid 30 and name HD22 )) 4.30 2.50 0.65
assign ((resid 30 and name HA )) ( (resid 30 and name HD21 )) 4.24 2.44 0.64
assign ((resid 30 and name HA )) ( (resid 48 and name HA )) 3.55 1.75 0.53
assign ((resid 27 and name HE1 )) ( (resid 31 and name HA )) 4.36 2.56 0.65
assign ((resid 32 and name HA )) ( (resid 46 and name HA )) 3.71 1.91 0.56
assign ((resid 32 and name HA )) ( (resid 32 and name HG2 )) 3.99 2.19 0.60
assign ((resid 32 and name HA )) ( (resid 32 and name HG1 )) 3.62 1.82 0.54
assign ((resid 32 and name HA )) ( (resid 47 and name HG2* )) 3.93 2.13 0.59
assign ((resid 33 and name HA )) ( (resid 33 and name HD1 )) 4.52 2.72 0.68
assign ((resid 33 and name HA )) ( (resid 33 and name HD2 )) 4.89 3.09 0.73
assign ((resid 33 and name HA )) ( (resid 34 and name HB )) 4.93 3.13 0.74
assign ((resid 33 and name HA )) ( (resid 44 and name HD1* )) 4.19 2.39 0.63
assign ((resid 34 and name HA )) ( (resid 44 and name HA )) 3.55 1.75 0.53
assign ((resid 35 and name HA )) ( (resid 36 and name HB2 )) 4.73 2.93 0.71
assign ((resid 35 and name HA )) ( (resid 35 and name HG11 )) 3.90 2.10 0.59
assign ((resid 19 and name HD1* )) ( (resid 35 and name HA )) 4.01 2.21 0.60
assign ((resid 107 and name HA )) ( (resid 107 and name HD2* )) 4.67 2.87 0.70
assign ((resid 80 and name HA )) ( (resid 83 and name HA )) 4.03 2.23 0.60
assign ((resid 83 and name HA )) ( (resid 83 and name HG2 )) 3.94 2.14 0.59
assign ((resid 42 and name HA )) ( (resid 42 and name HD1 )) 4.46 2.66 0.67
assign ((resid 42 and name HA )) ( (resid 42 and name HD2 )) 4.84 3.04 0.73
assign ((resid 36 and name HA )) ( (resid 42 and name HA )) 3.64 1.84 0.55
assign ((resid 32 and name HG2 )) ( (resid 46 and name HA )) 4.43 2.63 0.66
assign ((resid 32 and name HB1 )) ( (resid 46 and name HA )) 4.23 2.43 0.63
assign ((resid 46 and name HA )) ( (resid 47 and name HG2* )) 4.21 2.41 0.63
assign ((resid 47 and name HA )) ( (resid 53 and name HN )) 4.33 2.53 0.65
assign ((resid 10 and name HA )) ( (resid 88 and name HA )) 3.39 1.59 0.51
assign ((resid 47 and name HA )) ( (resid 52 and name HG11 )) 4.31 2.51 0.65
assign ((resid 47 and name HA )) ( (resid 52 and name HB )) 4.21 2.41 0.63
assign ((resid 88 and name HA )) ( (resid 88 and name HG12 )) 3.97 2.17 0.60
assign ((resid 10 and name HB* )) ( (resid 88 and name HA )) 4.34 2.54 0.65
assign ((resid 88 and name HA )) ( (resid 88 and name HG11 )) 3.45 1.65 0.52
assign ((resid 30 and name HD21 )) ( (resid 48 and name HA )) 4.38 2.58 0.66
assign ((resid 51 and name HA )) ( (resid 71 and name HA )) 3.78 1.98 0.57
assign ((resid 51 and name HA )) ( (resid 71 and name HB2 )) 4.28 2.48 0.64
assign ((resid 51 and name HA )) ( (resid 71 and name HB1 )) 4.08 2.28 0.61
assign ((resid 51 and name HA )) ( (resid 51 and name HG2 )) 3.98 2.18 0.60
assign ((resid 24 and name HB1 )) ( (resid 51 and name HA )) 4.63 2.83 0.69
assign ((resid 24 and name HD1* )) ( (resid 51 and name HA )) 3.73 1.93 0.56
assign ((resid 47 and name HA )) ( (resid 52 and name HA )) 3.62 1.82 0.54
assign ((resid 52 and name HA )) ( (resid 52 and name HG11 )) 3.82 2.02 0.57
assign ((resid 47 and name HG2* )) ( (resid 52 and name HA )) 4.05 2.25 0.61
assign ((resid 52 and name HA )) ( (resid 52 and name HD1* )) 3.99 2.19 0.60
assign ((resid 94 and name HA )) ( (resid 95 and name HA )) 4.63 2.83 0.69
assign ((resid 93 and name HA )) ( (resid 94 and name HA )) 4.63 2.83 0.69
assign ((resid 45 and name HA )) ( (resid 54 and name HA )) 3.57 1.77 0.54
assign ((resid 54 and name HA )) ( (resid 54 and name HD1* )) 4.39 2.59 0.66
assign ((resid 53 and name HD1 )) ( (resid 55 and name HA )) 4.83 3.03 0.72
assign ((resid 56 and name HA )) ( (resid 65 and name HG2* )) 3.73 1.93 0.56
assign ((resid 42 and name HE1 )) ( (resid 57 and name HA )) 4.87 3.07 0.73
assign ((resid 42 and name HE2 )) ( (resid 57 and name HA )) 5.08 3.28 0.76
assign ((resid 43 and name HA )) ( (resid 57 and name HA )) 3.77 1.97 0.57
assign ((resid 54 and name HG2* )) ( (resid 57 and name HA )) 4.22 2.42 0.63
assign ((resid 61 and name HA )) ( (resid 63 and name HG2* )) 4.22 2.42 0.63
assign ((resid 62 and name HA )) ( (resid 65 and name HB )) 4.75 2.95 0.71
assign ((resid 63 and name HA )) ( (resid 66 and name HB2 )) 3.38 1.58 0.51
assign ((resid 63 and name HA )) ( (resid 66 and name HD1 )) 4.33 2.53 0.65
assign ((resid 63 and name HA )) ( (resid 66 and name HD2 )) 4.33 2.53 0.65
assign ((resid 63 and name HA )) ( (resid 63 and name HG1* )) 2.95 1.15 0.44
assign ((resid 13 and name HB1 )) ( (resid 18 and name HA )) 4.14 2.34 0.62
assign ((resid 54 and name HB )) ( (resid 65 and name HA )) 3.79 1.99 0.57
assign ((resid 65 and name HA )) ( (resid 65 and name HG1* )) 3.19 1.39 0.48
assign ((resid 66 and name HA )) ( (resid 66 and name HG2 )) 3.72 1.92 0.56
assign ((resid 66 and name HA )) ( (resid 66 and name HG1 )) 3.72 1.92 0.56
assign ((resid 65 and name HG1* )) ( (resid 66 and name HA )) 3.98 2.18 0.60
assign ((resid 67 and name HA )) ( (resid 67 and name HG1 )) 3.93 2.13 0.59
assign ((resid 67 and name HA )) ( (resid 67 and name HG2 )) 3.42 1.62 0.51
assign ((resid 53 and name HA )) ( (resid 69 and name HA )) 4.31 2.51 0.65
assign ((resid 53 and name HB1 )) ( (resid 69 and name HA )) 4.12 2.32 0.62
assign ((resid 70 and name HA )) ( (resid 70 and name HD2 )) 4.06 2.26 0.61
assign ((resid 70 and name HA )) ( (resid 71 and name HA )) 4.51 2.71 0.68
assign ((resid 24 and name HD1* )) ( (resid 71 and name HA )) 3.43 1.63 0.51
assign ((resid 71 and name HA )) ( (resid 88 and name HD1* )) 3.56 1.76 0.53
assign ((resid 24 and name HD2* )) ( (resid 71 and name HA )) 4.83 3.03 0.72
assign ((resid 71 and name HA )) ( (resid 88 and name HG2* )) 4.99 3.19 0.75
assign ((resid 73 and name HA )) ( (resid 74 and name HN )) 2.98 1.18 0.45
assign ((resid 73 and name HA )) ( (resid 89 and name HA )) 4.18 2.38 0.63
assign ((resid 72 and name HA )) ( (resid 73 and name HA )) 4.42 2.62 0.66
assign ((resid 73 and name HA )) ( (resid 88 and name HB )) 4.09 2.29 0.61
assign ((resid 8 and name HG1* )) ( (resid 73 and name HA )) 3.81 2.01 0.57
assign ((resid 73 and name HA )) ( (resid 88 and name HG2* )) 3.38 1.58 0.51
assign ((resid 77 and name HA )) ( (resid 77 and name HG2* )) 3.17 1.37 0.48
assign ((resid 77 and name HA )) ( (resid 77 and name HD1* )) 4.05 2.25 0.61
assign ((resid 78 and name HA )) ( (resid 85 and name HA )) 3.62 1.82 0.54
assign ((resid 78 and name HA )) ( (resid 78 and name HG1* )) 3.21 1.41 0.48
assign ((resid 78 and name HA )) ( (resid 78 and name HG2* )) 3.46 1.66 0.52
assign ((resid 79 and name HA )) ( (resid 81 and name HD2 )) 4.02 2.22 0.60
assign ((resid 78 and name HB )) ( (resid 79 and name HA )) 4.91 3.11 0.74
assign ((resid 41 and name HE22 )) ( (resid 82 and name HA )) 4.60 2.80 0.69
assign ((resid 81 and name HB2 )) ( (resid 82 and name HA )) 4.70 2.90 0.70
assign ((resid 85 and name HA )) ( (resid 85 and name HD2 )) 3.70 1.90 0.56
assign ((resid 78 and name HG2* )) ( (resid 85 and name HA )) 4.83 3.03 0.72
assign ((resid 84 and name HG1* )) ( (resid 85 and name HA )) 4.11 2.31 0.62
assign ((resid 85 and name HA )) ( (resid 86 and name HG2* )) 4.52 2.72 0.68
assign ((resid 88 and name HA )) ( (resid 89 and name HA )) 4.94 3.14 0.74
assign ((resid 89 and name HA )) ( (resid 90 and name HA )) 5.28 3.48 0.79
assign ((resid 74 and name HA2 )) ( (resid 89 and name HA )) 5.44 3.64 0.82
assign ((resid 73 and name HB* )) ( (resid 89 and name HA )) 3.36 1.56 0.50
assign ((resid 9 and name HG2* )) ( (resid 89 and name HA )) 5.50 3.70 0.83
assign ((resid 8 and name HA )) ( (resid 90 and name HA )) 3.29 1.49 0.49
assign ((resid 8 and name HB )) ( (resid 90 and name HA )) 4.20 2.40 0.63
assign ((resid 8 and name HG1* )) ( (resid 90 and name HA )) 3.13 1.33 0.47
assign ((resid 102 and name HD1* )) ( (resid 103 and name HA )) 4.35 2.55 0.65
assign ((resid 103 and name HA )) ( (resid 103 and name HG2* )) 3.17 1.37 0.48
assign ((resid 107 and name HA )) ( (resid 108 and name HA )) 4.66 2.86 0.70
assign ((resid 25 and name HG2* )) ( (resid 26 and name HA2 )) 4.38 2.58 0.66
assign ((resid 37 and name HA2 )) ( (resid 41 and name HB2 )) 5.83 4.03 0.87
assign ((resid 28 and name HA )) ( (resid 49 and name HA2 )) 4.95 3.15 0.74
assign ((resid 64 and name HA2 )) ( (resid 77 and name HG2* )) 3.88 2.08 0.58
assign ((resid 54 and name HD1* )) ( (resid 64 and name HA2 )) 4.14 2.34 0.62
assign ((resid 25 and name HG2* )) ( (resid 26 and name HA1 )) 4.38 2.58 0.66
assign ((resid 37 and name HA1 )) ( (resid 41 and name HB2 )) 3.85 2.05 0.58
assign ((resid 64 and name HA1 )) ( (resid 77 and name HG2* )) 3.98 2.18 0.60
assign ((resid 73 and name HA )) ( (resid 74 and name HA2 )) 4.37 2.57 0.66
assign ((resid 9 and name HG1* )) ( (resid 91 and name HB )) 4.34 2.54 0.65
assign ((resid 9 and name HB )) ( (resid 23 and name HA )) 4.11 2.31 0.62
assign ((resid 9 and name HB )) ( (resid 10 and name HB* )) 5.04 3.24 0.76
assign ((resid 9 and name HB )) ( (resid 91 and name HG2* )) 5.31 3.51 0.80
assign ((resid 10 and name HB* )) ( (resid 12 and name HN )) 4.70 2.90 0.70
assign ((resid 9 and name HA )) ( (resid 10 and name HB* )) 4.03 2.23 0.60
assign ((resid 10 and name HB* )) ( (resid 24 and name HG )) 3.18 1.38 0.48
assign ((resid 10 and name HB* )) ( (resid 12 and name HG11 )) 3.96 2.16 0.59
assign ((resid 10 and name HB* )) ( (resid 52 and name HB )) 4.39 2.59 0.66
assign ((resid 10 and name HB* )) ( (resid 24 and name HB1 )) 4.70 2.90 0.70
assign ((resid 10 and name HB* )) ( (resid 12 and name HD1* )) 3.42 1.62 0.51
assign ((resid 10 and name HB* )) ( (resid 24 and name HD1* )) 3.06 1.26 0.46
assign ((resid 10 and name HB* )) ( (resid 52 and name HD1* )) 3.11 1.31 0.47
assign ((resid 10 and name HB* )) ( (resid 24 and name HD2* )) 3.37 1.57 0.51
assign ((resid 12 and name HB )) ( (resid 19 and name HG11 )) 4.24 2.44 0.64
assign ((resid 66 and name HB1 )) ( (resid 67 and name HN )) 5.16 3.36 0.77
assign ((resid 17 and name HA )) ( (resid 18 and name HB )) 5.08 3.28 0.76
assign ((resid 19 and name HB )) ( (resid 20 and name HN )) 4.16 2.36 0.62
assign ((resid 10 and name HB* )) ( (resid 22 and name HB )) 4.06 2.26 0.61
assign ((resid 25 and name HB )) ( (resid 26 and name HN )) 4.28 2.48 0.64
assign ((resid 7 and name HB1 )) ( (resid 25 and name HB )) 4.17 2.37 0.63
assign ((resid 7 and name HB2 )) ( (resid 25 and name HB )) 4.69 2.89 0.70
assign ((resid 34 and name HB )) ( (resid 44 and name HA )) 5.50 3.70 0.83
assign ((resid 31 and name HB1 )) ( (resid 47 and name HB )) 3.76 1.96 0.56
assign ((resid 47 and name HB )) ( (resid 52 and name HD1* )) 5.51 3.71 0.83
assign ((resid 47 and name HG1* )) ( (resid 52 and name HB )) 4.27 2.47 0.64
assign ((resid 35 and name HD1* )) ( (resid 45 and name HG1 )) 2.92 1.12 0.44
assign ((resid 65 and name HB )) ( (resid 66 and name HB2 )) 4.82 3.02 0.72
assign ((resid 73 and name HB* )) ( (resid 90 and name HN )) 3.19 1.39 0.48
assign ((resid 73 and name HB* )) ( (resid 91 and name HN )) 5.86 4.06 0.88
assign ((resid 73 and name HB* )) ( (resid 90 and name HA )) 4.25 2.45 0.64
assign ((resid 72 and name HA )) ( (resid 73 and name HB* )) 4.18 2.38 0.63
assign ((resid 8 and name HB )) ( (resid 73 and name HB* )) 4.17 2.37 0.63
assign ((resid 73 and name HB* )) ( (resid 88 and name HG2* )) 3.77 1.97 0.57
assign ((resid 76 and name HB )) ( (resid 87 and name HA )) 4.36 2.56 0.65
assign ((resid 79 and name HB2 )) ( (resid 84 and name HB )) 3.76 1.96 0.56
assign ((resid 77 and name HD1* )) ( (resid 86 and name HB )) 3.90 2.10 0.59
assign ((resid 10 and name HA )) ( (resid 88 and name HB )) 5.43 3.63 0.81
assign ((resid 88 and name HB )) ( (resid 89 and name HA )) 5.73 3.93 0.86
assign ((resid 76 and name HG2* )) ( (resid 87 and name HG2 )) 4.20 2.40 0.63
assign ((resid 60 and name HB1 )) ( (resid 61 and name HN )) 4.32 2.52 0.65
assign ((resid 13 and name HB2 )) ( (resid 14 and name HN )) 4.37 2.57 0.66
assign ((resid 13 and name HB2 )) ( (resid 18 and name HA )) 4.14 2.34 0.62
assign ((resid 20 and name HB1 )) ( (resid 21 and name HN )) 4.23 2.43 0.63
assign ((resid 12 and name HB )) ( (resid 20 and name HB1 )) 3.86 2.06 0.58
assign ((resid 19 and name HG11 )) ( (resid 20 and name HB1 )) 3.85 2.05 0.58
assign ((resid 12 and name HG12 )) ( (resid 20 and name HB1 )) 4.68 2.88 0.70
assign ((resid 12 and name HD1* )) ( (resid 21 and name HB2 )) 5.37 3.57 0.81
assign ((resid 23 and name HB1 )) ( (resid 24 and name HN )) 4.30 2.50 0.65
assign ((resid 9 and name HA )) ( (resid 23 and name HB1 )) 4.42 2.62 0.66
assign ((resid 9 and name HG1* )) ( (resid 23 and name HB1 )) 3.87 2.07 0.58
assign ((resid 24 and name HB2 )) ( (resid 24 and name HD2* )) 4.13 2.33 0.62
assign ((resid 57 and name HB1 )) ( (resid 58 and name HN )) 4.38 2.58 0.66
assign ((resid 33 and name HE2 )) ( (resid 45 and name HG2 )) 4.41 2.61 0.66
assign ((resid 33 and name HB1 )) ( (resid 34 and name HN )) 4.02 2.22 0.60
assign ((resid 38 and name HB2 )) ( (resid 39 and name HN )) 4.85 3.05 0.73
assign ((resid 38 and name HN )) ( (resid 41 and name HB1 )) 4.52 2.72 0.68
assign ((resid 42 and name HB1 )) ( (resid 43 and name HN )) 4.35 2.55 0.65
assign ((resid 35 and name HB )) ( (resid 43 and name HB2 )) 4.33 2.53 0.65
assign ((resid 35 and name HB )) ( (resid 43 and name HB1 )) 4.68 2.88 0.70
assign ((resid 43 and name HB1 )) ( (resid 54 and name HG2* )) 4.99 3.19 0.75
assign ((resid 50 and name HB2 )) ( (resid 51 and name HB1 )) 4.68 2.88 0.70
assign ((resid 24 and name HD1* )) ( (resid 51 and name HB1 )) 5.87 4.07 0.88
assign ((resid 51 and name HB2 )) ( (resid 52 and name HG2* )) 5.89 4.09 0.88
assign ((resid 44 and name HD2* )) ( (resid 56 and name HB2 )) 3.76 1.96 0.56
assign ((resid 43 and name HD21 )) ( (resid 57 and name HB2 )) 4.53 2.73 0.68
assign ((resid 43 and name HA )) ( (resid 57 and name HB2 )) 4.16 2.36 0.62
assign ((resid 54 and name HG2* )) ( (resid 57 and name HB2 )) 4.20 2.40 0.63
assign ((resid 70 and name HB1 )) ( (resid 88 and name HG11 )) 4.73 2.93 0.71
assign ((resid 51 and name HB1 )) ( (resid 71 and name HB2 )) 4.51 2.71 0.68
assign ((resid 70 and name HB1 )) ( (resid 75 and name HB2 )) 4.12 2.32 0.62
assign ((resid 79 and name HB2 )) ( (resid 84 and name HG1* )) 4.26 2.46 0.64
assign ((resid 82 and name HB2 )) ( (resid 84 and name HG2* )) 3.82 2.02 0.57
assign ((resid 15 and name HN )) ( (resid 83 and name HB2 )) 4.33 2.53 0.65
assign ((resid 15 and name HA )) ( (resid 83 and name HB2 )) 4.45 2.65 0.67
assign ((resid 83 and name HB2 )) ( (resid 83 and name HD2 )) 4.15 2.35 0.62
assign ((resid 87 and name HB2 )) ( (resid 88 and name HN )) 4.32 2.52 0.65
assign ((resid 9 and name HG2* )) ( (resid 89 and name HB2 )) 4.46 2.66 0.67
assign ((resid 89 and name HA )) ( (resid 90 and name HB2 )) 4.96 3.16 0.74
assign ((resid 73 and name HB* )) ( (resid 90 and name HB2 )) 3.66 1.86 0.55
assign ((resid 8 and name HG1* )) ( (resid 90 and name HB2 )) 4.10 2.30 0.62
assign ((resid 90 and name HB1 )) ( (resid 91 and name HN )) 4.31 2.51 0.65
assign ((resid 89 and name HA )) ( (resid 90 and name HB1 )) 4.96 3.16 0.74
assign ((resid 73 and name HB* )) ( (resid 90 and name HB1 )) 3.66 1.86 0.55
assign ((resid 7 and name HB2 )) ( (resid 8 and name HN )) 4.30 2.50 0.65
assign ((resid 7 and name HB2 )) ( (resid 25 and name HG2* )) 4.13 2.33 0.62
assign ((resid 7 and name HB2 )) ( (resid 8 and name HG1* )) 4.98 3.18 0.75
assign ((resid 19 and name HB )) ( (resid 20 and name HB2 )) 4.16 2.36 0.62
assign ((resid 19 and name HG11 )) ( (resid 20 and name HB2 )) 3.63 1.83 0.54
assign ((resid 12 and name HD1* )) ( (resid 20 and name HB2 )) 4.47 2.67 0.67
assign ((resid 20 and name HB2 )) ( (resid 22 and name HD1* )) 4.58 2.78 0.69
assign ((resid 11 and name HD1* )) ( (resid 21 and name HB1 )) 3.54 1.74 0.53
assign ((resid 24 and name HB1 )) ( (resid 50 and name HA )) 4.28 2.48 0.64
assign ((resid 32 and name HB2 )) ( (resid 44 and name HD1* )) 4.13 2.33 0.62
assign ((resid 44 and name HD2* )) ( (resid 55 and name HB1 )) 4.37 2.57 0.66
assign ((resid 56 and name HB1 )) ( (resid 57 and name HN )) 4.43 2.63 0.66
assign ((resid 43 and name HA )) ( (resid 57 and name HB1 )) 4.10 2.30 0.62
assign ((resid 51 and name HB1 )) ( (resid 71 and name HB1 )) 4.23 2.43 0.63
assign ((resid 70 and name HB1 )) ( (resid 75 and name HB1 )) 4.12 2.32 0.62
assign ((resid 60 and name HD1 )) ( (resid 81 and name HB2 )) 3.92 2.12 0.59
assign ((resid 60 and name HD2 )) ( (resid 81 and name HB2 )) 4.23 2.43 0.63
assign ((resid 85 and name HB2 )) ( (resid 85 and name HD2 )) 3.65 1.85 0.55
assign ((resid 9 and name HG2* )) ( (resid 89 and name HB1 )) 4.46 2.66 0.67
assign ((resid 8 and name HG1* )) ( (resid 90 and name HB1 )) 4.10 2.30 0.62
assign ((resid 66 and name HN )) ( (resid 66 and name HG2 )) 4.43 2.63 0.66
assign ((resid 80 and name HN )) ( (resid 80 and name HG )) 3.79 1.99 0.57
assign ((resid 80 and name HG )) ( (resid 81 and name HD2 )) 5.08 3.28 0.76
assign ((resid 80 and name HG )) ( (resid 81 and name HD1 )) 5.39 3.59 0.81
assign ((resid 8 and name HG1* )) ( (resid 9 and name HN )) 4.02 2.22 0.60
assign ((resid 8 and name HG1* )) ( (resid 89 and name HA )) 4.53 2.73 0.68
assign ((resid 7 and name HA )) ( (resid 8 and name HG1* )) 3.91 2.11 0.59
assign ((resid 8 and name HG1* )) ( (resid 73 and name HB* )) 3.05 1.25 0.46
assign ((resid 8 and name HG1* )) ( (resid 88 and name HG2* )) 3.07 1.27 0.46
assign ((resid 9 and name HG2* )) ( (resid 11 and name HN )) 4.44 2.64 0.67
assign ((resid 8 and name HN )) ( (resid 9 and name HG1* )) 4.70 2.90 0.70
assign ((resid 8 and name HA )) ( (resid 9 and name HG1* )) 4.44 2.64 0.67
assign ((resid 8 and name HA )) ( (resid 9 and name HG2* )) 4.74 2.94 0.71
assign ((resid 9 and name HG2* )) ( (resid 90 and name HA )) 4.47 2.67 0.67
assign ((resid 9 and name HG2* )) ( (resid 10 and name HA )) 4.52 2.72 0.68
assign ((resid 56 and name HA )) ( (resid 65 and name HG1* )) 4.73 2.93 0.71
assign ((resid 9 and name HG1* )) ( (resid 91 and name HA )) 4.28 2.48 0.64
assign ((resid 9 and name HG2* )) ( (resid 91 and name HA )) 5.03 3.23 0.75
assign ((resid 9 and name HG1* )) ( (resid 23 and name HG2 )) 4.75 2.95 0.71
assign ((resid 9 and name HG1* )) ( (resid 23 and name HB2 )) 3.59 1.79 0.54
assign ((resid 9 and name HG1* )) ( (resid 23 and name HG1 )) 4.75 2.95 0.71
assign ((resid 9 and name HG2* )) ( (resid 89 and name HD2 )) 4.21 2.41 0.63
assign ((resid 9 and name HG2* )) ( (resid 89 and name HD1 )) 4.21 2.41 0.63
assign ((resid 9 and name HG2* )) ( (resid 11 and name HG12 )) 3.61 1.81 0.54
assign ((resid 12 and name HN )) ( (resid 18 and name HG1* )) 4.24 2.44 0.64
assign ((resid 13 and name HA )) ( (resid 18 and name HG1* )) 4.04 2.24 0.61
assign ((resid 11 and name HA )) ( (resid 18 and name HG1* )) 4.69 2.89 0.70
assign ((resid 31 and name HG1 )) ( (resid 47 and name HG2* )) 4.79 2.99 0.72
assign ((resid 31 and name HB1 )) ( (resid 47 and name HG2* )) 3.99 2.19 0.60
assign ((resid 47 and name HG2* )) ( (resid 52 and name HG11 )) 3.67 1.87 0.55
assign ((resid 22 and name HB )) ( (resid 47 and name HG2* )) 3.84 2.04 0.58
assign ((resid 47 and name HG2* )) ( (resid 52 and name HB )) 3.64 1.84 0.55
assign ((resid 18 and name HG1* )) ( (resid 19 and name HG11 )) 4.90 3.10 0.74
assign ((resid 22 and name HG12 )) ( (resid 47 and name HG2* )) 4.78 2.98 0.72
assign ((resid 18 and name HG1* )) ( (resid 19 and name HG12 )) 4.38 2.58 0.66
assign ((resid 18 and name HG1* )) ( (resid 19 and name HG2* )) 4.33 2.53 0.65
assign ((resid 47 and name HG1* )) ( (resid 52 and name HA )) 4.35 2.55 0.65
assign ((resid 47 and name HA )) ( (resid 47 and name HG1* )) 3.38 1.58 0.51
assign ((resid 47 and name HG1* )) ( (resid 50 and name HA )) 4.64 2.84 0.70
assign ((resid 31 and name HB1 )) ( (resid 47 and name HG1* )) 4.39 2.59 0.66
assign ((resid 24 and name HD1* )) ( (resid 47 and name HG1* )) 5.04 3.24 0.76
assign ((resid 47 and name HG1* )) ( (resid 52 and name HG2* )) 5.26 3.46 0.79
assign ((resid 22 and name HG2* )) ( (resid 47 and name HG1* )) 3.42 1.62 0.51
assign ((resid 63 and name HG1* )) ( (resid 67 and name HN )) 4.43 2.63 0.66
assign ((resid 78 and name HG2* )) ( (resid 85 and name HE2 )) 3.25 1.45 0.49
assign ((resid 77 and name HA )) ( (resid 78 and name HG2* )) 3.81 2.01 0.57
assign ((resid 76 and name HB )) ( (resid 78 and name HG2* )) 4.09 2.29 0.61
assign ((resid 78 and name HG1* )) ( (resid 80 and name HB2 )) 3.90 2.10 0.59
assign ((resid 78 and name HG1* )) ( (resid 80 and name HG )) 3.42 1.62 0.51
assign ((resid 84 and name HA )) ( (resid 84 and name HG1* )) 3.43 1.63 0.51
assign ((resid 54 and name HD1* )) ( (resid 86 and name HG2* )) 4.24 2.44 0.64
assign ((resid 86 and name HN )) ( (resid 86 and name HG1* )) 4.21 2.41 0.63
assign ((resid 86 and name HA )) ( (resid 86 and name HG1* )) 3.40 1.60 0.51
assign ((resid 86 and name HG1* )) ( (resid 87 and name HA )) 4.23 2.43 0.63
assign ((resid 11 and name HB )) ( (resid 86 and name HG1* )) 5.21 3.41 0.78
assign ((resid 12 and name HG11 )) ( (resid 86 and name HG1* )) 3.79 1.99 0.57
assign ((resid 45 and name HE* )) ( (resid 86 and name HG1* )) 4.04 2.24 0.61
assign ((resid 77 and name HG12 )) ( (resid 86 and name HG1* )) 4.24 2.44 0.64
assign ((resid 86 and name HG1* )) ( (resid 88 and name HG12 )) 3.97 2.17 0.60
assign ((resid 10 and name HB* )) ( (resid 86 and name HG1* )) 3.50 1.70 0.53
assign ((resid 77 and name HG11 )) ( (resid 86 and name HG1* )) 4.24 2.44 0.64
assign ((resid 10 and name HA )) ( (resid 11 and name HG12 )) 4.75 2.95 0.71
assign ((resid 11 and name HG12 )) ( (resid 89 and name HG2 )) 4.41 2.61 0.66
assign ((resid 11 and name HG12 )) ( (resid 89 and name HG1 )) 4.08 2.28 0.61
assign ((resid 12 and name HG11 )) ( (resid 86 and name HG2* )) 4.16 2.36 0.62
assign ((resid 20 and name HA )) ( (resid 20 and name HG1 )) 3.89 2.09 0.58
assign ((resid 88 and name HN )) ( (resid 88 and name HG12 )) 4.00 2.20 0.60
assign ((resid 10 and name HB* )) ( (resid 88 and name HG12 )) 4.21 2.41 0.63
assign ((resid 8 and name HG2* )) ( (resid 88 and name HG12 )) 4.91 3.11 0.74
assign ((resid 14 and name HN )) ( (resid 19 and name HG12 )) 4.37 2.57 0.66
assign ((resid 35 and name HA )) ( (resid 35 and name HG12 )) 3.85 2.05 0.58
assign ((resid 12 and name HA )) ( (resid 12 and name HG12 )) 3.98 2.18 0.60
assign ((resid 12 and name HG12 )) ( (resid 52 and name HD1* )) 4.26 2.46 0.64
assign ((resid 12 and name HG12 )) ( (resid 86 and name HG2* )) 4.57 2.77 0.69
assign ((resid 19 and name HD1* )) ( (resid 35 and name HG12 )) 3.59 1.79 0.54
assign ((resid 47 and name HG2* )) ( (resid 52 and name HG12 )) 4.27 2.47 0.64
assign ((resid 10 and name HB* )) ( (resid 88 and name HG11 )) 4.31 2.51 0.65
assign ((resid 88 and name HG2* )) ( (resid 88 and name HG11 )) 3.72 1.92 0.56
assign ((resid 100 and name HN )) ( (resid 100 and name HG2* )) 4.03 2.23 0.60
assign ((resid 100 and name HA )) ( (resid 100 and name HG2* )) 3.23 1.43 0.48
assign ((resid 8 and name HG2* )) ( (resid 9 and name HN )) 3.91 2.11 0.59
assign ((resid 8 and name HA )) ( (resid 8 and name HG2* )) 3.66 1.86 0.55
assign ((resid 8 and name HG2* )) ( (resid 90 and name HA )) 4.43 2.63 0.66
assign ((resid 7 and name HA )) ( (resid 8 and name HG2* )) 4.19 2.39 0.63
assign ((resid 8 and name HG2* )) ( (resid 9 and name HA )) 4.54 2.74 0.68
assign ((resid 8 and name HG2* )) ( (resid 25 and name HA )) 4.53 2.73 0.68
assign ((resid 8 and name HG2* )) ( (resid 25 and name HB )) 4.69 2.89 0.70
assign ((resid 7 and name HB1 )) ( (resid 8 and name HG2* )) 5.57 3.77 0.84
assign ((resid 8 and name HG2* )) ( (resid 88 and name HB )) 5.96 4.16 0.89
assign ((resid 8 and name HG2* )) ( (resid 24 and name HB2 )) 3.32 1.52 0.50
assign ((resid 8 and name HG2* )) ( (resid 24 and name HB1 )) 3.47 1.67 0.52
assign ((resid 8 and name HG2* )) ( (resid 10 and name HB* )) 5.04 3.24 0.76
assign ((resid 8 and name HG2* )) ( (resid 91 and name HG2* )) 5.36 3.56 0.80
assign ((resid 8 and name HG2* )) ( (resid 88 and name HG2* )) 3.05 1.25 0.46
assign ((resid 11 and name HN )) ( (resid 11 and name HG2* )) 3.93 2.13 0.59
assign ((resid 11 and name HG2* )) ( (resid 21 and name HA )) 4.22 2.42 0.63
assign ((resid 11 and name HG2* )) ( (resid 86 and name HA )) 5.16 3.36 0.77
assign ((resid 11 and name HG2* )) ( (resid 12 and name HA )) 4.34 2.54 0.65
assign ((resid 11 and name HA )) ( (resid 11 and name HG2* )) 3.19 1.39 0.48
assign ((resid 11 and name HG2* )) ( (resid 21 and name HB2 )) 4.79 2.99 0.72
assign ((resid 11 and name HG2* )) ( (resid 21 and name HB1 )) 4.79 2.99 0.72
assign ((resid 11 and name HG2* )) ( (resid 11 and name HG12 )) 3.23 1.43 0.48
assign ((resid 11 and name HG2* )) ( (resid 11 and name HG11 )) 3.11 1.31 0.47
assign ((resid 11 and name HG2* )) ( (resid 18 and name HG1* )) 2.73 0.93 0.41
assign ((resid 11 and name HG2* )) ( (resid 11 and name HD1* )) 2.75 0.95 0.41
assign ((resid 12 and name HN )) ( (resid 12 and name HG2* )) 4.09 2.29 0.61
assign ((resid 12 and name HG2* )) ( (resid 33 and name HE2 )) 4.41 2.61 0.66
assign ((resid 12 and name HG2* )) ( (resid 45 and name HG1 )) 4.31 2.51 0.65
assign ((resid 12 and name HG2* )) ( (resid 12 and name HG11 )) 3.43 1.63 0.51
assign ((resid 12 and name HG2* )) ( (resid 19 and name HG11 )) 3.85 2.05 0.58
assign ((resid 12 and name HG2* )) ( (resid 12 and name HG12 )) 3.20 1.40 0.48
assign ((resid 12 and name HG2* )) ( (resid 84 and name HG1* )) 3.37 1.57 0.51
assign ((resid 12 and name HG2* )) ( (resid 86 and name HG2* )) 3.62 1.82 0.54
assign ((resid 18 and name HG2* )) ( (resid 19 and name HN )) 4.29 2.49 0.64
assign ((resid 13 and name HA )) ( (resid 18 and name HG2* )) 4.06 2.26 0.61
assign ((resid 19 and name HG2* )) ( (resid 20 and name HN )) 4.16 2.36 0.62
assign ((resid 13 and name HA )) ( (resid 19 and name HG2* )) 4.22 2.42 0.63
assign ((resid 18 and name HA )) ( (resid 19 and name HG2* )) 4.37 2.57 0.66
assign ((resid 14 and name HB1 )) ( (resid 19 and name HG2* )) 3.55 1.75 0.53
assign ((resid 14 and name HG2 )) ( (resid 19 and name HG2* )) 4.31 2.51 0.65
assign ((resid 17 and name HB2 )) ( (resid 19 and name HG2* )) 4.60 2.80 0.69
assign ((resid 14 and name HB2 )) ( (resid 19 and name HG2* )) 3.76 1.96 0.56
assign ((resid 17 and name HG1 )) ( (resid 19 and name HG2* )) 3.40 1.60 0.51
assign ((resid 19 and name HG2* )) ( (resid 19 and name HG11 )) 3.92 2.12 0.59
assign ((resid 19 and name HG2* )) ( (resid 19 and name HG12 )) 3.02 1.22 0.45
assign ((resid 22 and name HN )) ( (resid 22 and name HG2* )) 4.01 2.21 0.60
assign ((resid 22 and name HG2* )) ( (resid 24 and name HA )) 4.32 2.52 0.65
assign ((resid 22 and name HG2* )) ( (resid 23 and name HG1 )) 4.77 2.97 0.72
assign ((resid 22 and name HG2* )) ( (resid 47 and name HB )) 4.94 3.14 0.74
assign ((resid 10 and name HB* )) ( (resid 22 and name HG2* )) 4.72 2.92 0.71
assign ((resid 22 and name HG2* )) ( (resid 22 and name HG11 )) 3.28 1.48 0.49
assign ((resid 22 and name HG2* )) ( (resid 47 and name HG2* )) 3.56 1.76 0.53
assign ((resid 22 and name HG2* )) ( (resid 24 and name HD2* )) 4.27 2.47 0.64
assign ((resid 25 and name HN )) ( (resid 25 and name HG2* )) 3.97 2.17 0.60
assign ((resid 7 and name HA )) ( (resid 25 and name HG2* )) 3.38 1.58 0.51
assign ((resid 25 and name HA )) ( (resid 25 and name HG2* )) 2.94 1.14 0.44
assign ((resid 7 and name HG2 )) ( (resid 25 and name HG2* )) 3.70 1.90 0.56
assign ((resid 7 and name HB1 )) ( (resid 25 and name HG2* )) 4.00 2.20 0.60
assign ((resid 25 and name HG2* )) ( (resid 50 and name HB1 )) 4.39 2.59 0.66
assign ((resid 8 and name HG2* )) ( (resid 25 and name HG2* )) 4.26 2.46 0.64
assign ((resid 34 and name HG2* )) ( (resid 35 and name HN )) 3.22 1.42 0.48
assign ((resid 34 and name HG2* )) ( (resid 42 and name HA )) 4.11 2.31 0.62
assign ((resid 34 and name HA )) ( (resid 34 and name HG2* )) 3.18 1.38 0.48
assign ((resid 34 and name HG2* )) ( (resid 44 and name HA )) 3.71 1.91 0.56
assign ((resid 34 and name HG2* )) ( (resid 36 and name HA )) 4.21 2.41 0.63
assign ((resid 34 and name HG2* )) ( (resid 42 and name HB1 )) 3.65 1.85 0.55
assign ((resid 34 and name HG2* )) ( (resid 42 and name HB2 )) 3.46 1.66 0.52
assign ((resid 7 and name HB1 )) ( (resid 91 and name HG2* )) 4.13 2.33 0.62
assign ((resid 34 and name HG2* )) ( (resid 36 and name HG1 )) 4.00 2.20 0.60
assign ((resid 33 and name HE2 )) ( (resid 35 and name HG2* )) 5.52 3.72 0.83
assign ((resid 33 and name HD2 )) ( (resid 35 and name HG2* )) 5.95 4.15 0.89
assign ((resid 35 and name HA )) ( (resid 35 and name HG2* )) 3.22 1.42 0.48
assign ((resid 14 and name HB1 )) ( (resid 35 and name HG2* )) 4.27 2.47 0.64
assign ((resid 14 and name HG1 )) ( (resid 35 and name HG2* )) 4.65 2.85 0.70
assign ((resid 14 and name HG2 )) ( (resid 35 and name HG2* )) 4.35 2.55 0.65
assign ((resid 19 and name HB )) ( (resid 35 and name HG2* )) 4.95 3.15 0.74
assign ((resid 35 and name HG2* )) ( (resid 36 and name HB2 )) 5.41 3.61 0.81
assign ((resid 35 and name HG2* )) ( (resid 35 and name HG11 )) 3.46 1.66 0.52
assign ((resid 103 and name HG2* )) ( (resid 103 and name HG12 )) 3.50 1.70 0.53
assign ((resid 19 and name HG11 )) ( (resid 35 and name HG2* )) 4.19 2.39 0.63
assign ((resid 35 and name HG2* )) ( (resid 35 and name HG12 )) 3.26 1.46 0.49
assign ((resid 103 and name HG2* )) ( (resid 103 and name HG11 )) 3.50 1.70 0.53
assign ((resid 19 and name HG2* )) ( (resid 35 and name HG2* )) 3.94 2.14 0.59
assign ((resid 19 and name HD1* )) ( (resid 35 and name HG2* )) 2.63 0.83 0.39
assign ((resid 35 and name HG2* )) ( (resid 84 and name HG1* )) 3.95 2.15 0.59
assign ((resid 33 and name HZ )) ( (resid 47 and name HG2* )) 4.15 2.35 0.62
assign ((resid 47 and name HA )) ( (resid 47 and name HG2* )) 3.37 1.57 0.51
assign ((resid 10 and name HB* )) ( (resid 47 and name HG2* )) 4.47 2.67 0.67
assign ((resid 45 and name HB1 )) ( (resid 47 and name HG2* )) 4.66 2.86 0.70
assign ((resid 47 and name HG2* )) ( (resid 52 and name HD1* )) 2.71 0.91 0.41
assign ((resid 52 and name HG2* )) ( (resid 70 and name HN )) 4.25 2.45 0.64
assign ((resid 52 and name HG2* )) ( (resid 53 and name HN )) 4.35 2.55 0.65
assign ((resid 51 and name HA )) ( (resid 52 and name HG2* )) 4.34 2.54 0.65
assign ((resid 76 and name HA )) ( (resid 77 and name HD1* )) 4.76 2.96 0.71
assign ((resid 10 and name HA )) ( (resid 52 and name HG2* )) 4.52 2.72 0.68
assign ((resid 52 and name HG2* )) ( (resid 53 and name HA )) 4.01 2.21 0.60
assign ((resid 52 and name HG2* )) ( (resid 71 and name HA )) 4.50 2.70 0.68
assign ((resid 67 and name HB1 )) ( (resid 77 and name HD1* )) 3.85 2.05 0.58
assign ((resid 52 and name HG2* )) ( (resid 52 and name HG11 )) 3.50 1.70 0.53
assign ((resid 24 and name HG )) ( (resid 52 and name HG2* )) 4.24 2.44 0.64
assign ((resid 52 and name HG2* )) ( (resid 88 and name HG12 )) 4.27 2.47 0.64
assign ((resid 10 and name HB* )) ( (resid 52 and name HG2* )) 3.06 1.26 0.46
assign ((resid 52 and name HG2* )) ( (resid 52 and name HD1* )) 2.68 0.88 0.40
assign ((resid 43 and name HA )) ( (resid 54 and name HG2* )) 3.98 2.18 0.60
assign ((resid 45 and name HA )) ( (resid 54 and name HG2* )) 4.49 2.69 0.67
assign ((resid 54 and name HG2* )) ( (resid 57 and name HB1 )) 3.96 2.16 0.59
assign ((resid 43 and name HB2 )) ( (resid 54 and name HG2* )) 5.34 3.54 0.80
assign ((resid 63 and name HG2* )) ( (resid 64 and name HN )) 4.28 2.48 0.64
assign ((resid 82 and name HA )) ( (resid 84 and name HG2* )) 4.42 2.62 0.66
assign ((resid 80 and name HD2* )) ( (resid 81 and name HD1 )) 4.18 2.38 0.63
assign ((resid 63 and name HA )) ( (resid 63 and name HG2* )) 2.93 1.13 0.44
assign ((resid 61 and name HB2 )) ( (resid 63 and name HG2* )) 3.53 1.73 0.53
assign ((resid 61 and name HB1 )) ( (resid 63 and name HG2* )) 3.53 1.73 0.53
assign ((resid 63 and name HG2* )) ( (resid 66 and name HB2 )) 4.46 2.66 0.67
assign ((resid 80 and name HB2 )) ( (resid 80 and name HD2* )) 3.49 1.69 0.52
assign ((resid 62 and name HA )) ( (resid 65 and name HG2* )) 4.19 2.39 0.63
assign ((resid 65 and name HA )) ( (resid 65 and name HG2* )) 3.18 1.38 0.48
assign ((resid 54 and name HB )) ( (resid 65 and name HG2* )) 3.67 1.87 0.55
assign ((resid 54 and name HG2* )) ( (resid 65 and name HG2* )) 3.03 1.23 0.45
assign ((resid 54 and name HD1* )) ( (resid 65 and name HG2* )) 3.97 2.17 0.60
assign ((resid 76 and name HG2* )) ( (resid 77 and name HN )) 3.84 2.04 0.58
assign ((resid 76 and name HG2* )) ( (resid 85 and name HE1 )) 3.64 1.84 0.55
assign ((resid 76 and name HG2* )) ( (resid 87 and name HA )) 3.28 1.48 0.49
assign ((resid 76 and name HG2* )) ( (resid 87 and name HG1 )) 4.20 2.40 0.63
assign ((resid 77 and name HG2* )) ( (resid 78 and name HA )) 4.32 2.52 0.65
assign ((resid 67 and name HG1 )) ( (resid 77 and name HG2* )) 4.66 2.86 0.70
assign ((resid 77 and name HG2* )) ( (resid 79 and name HB2 )) 4.92 3.12 0.74
assign ((resid 77 and name HG2* )) ( (resid 77 and name HD1* )) 2.85 1.05 0.43
assign ((resid 77 and name HG2* )) ( (resid 86 and name HG2* )) 3.90 2.10 0.59
assign ((resid 83 and name HN )) ( (resid 84 and name HG2* )) 4.35 2.55 0.65
assign ((resid 84 and name HA )) ( (resid 84 and name HG2* )) 3.23 1.43 0.48
assign ((resid 82 and name HB1 )) ( (resid 84 and name HG2* )) 3.75 1.95 0.56
assign ((resid 79 and name HB2 )) ( (resid 84 and name HG2* )) 4.72 2.92 0.71
assign ((resid 79 and name HB1 )) ( (resid 84 and name HG2* )) 4.91 3.11 0.74
assign ((resid 14 and name HG1 )) ( (resid 84 and name HG2* )) 3.60 1.80 0.54
assign ((resid 14 and name HG2 )) ( (resid 84 and name HG2* )) 4.10 2.30 0.62
assign ((resid 35 and name HG2* )) ( (resid 84 and name HG2* )) 3.31 1.51 0.50
assign ((resid 77 and name HN )) ( (resid 86 and name HG2* )) 4.41 2.61 0.66
assign ((resid 86 and name HA )) ( (resid 86 and name HG2* )) 3.50 1.70 0.53
assign ((resid 77 and name HB )) ( (resid 86 and name HG2* )) 3.26 1.46 0.49
assign ((resid 75 and name HN )) ( (resid 88 and name HG2* )) 4.37 2.57 0.66
assign ((resid 10 and name HA )) ( (resid 88 and name HG2* )) 4.14 2.34 0.62
assign ((resid 88 and name HG2* )) ( (resid 89 and name HA )) 4.58 2.78 0.69
assign ((resid 9 and name HA )) ( (resid 88 and name HG2* )) 4.94 3.14 0.74
assign ((resid 8 and name HB )) ( (resid 88 and name HG2* )) 3.21 1.41 0.48
assign ((resid 88 and name HG2* )) ( (resid 88 and name HG12 )) 3.67 1.87 0.55
assign ((resid 24 and name HD1* )) ( (resid 88 and name HG2* )) 2.95 1.15 0.44
assign ((resid 8 and name HA )) ( (resid 91 and name HG2* )) 4.00 2.20 0.60
assign ((resid 7 and name HB2 )) ( (resid 91 and name HG2* )) 4.02 2.22 0.60
assign ((resid 9 and name HG1* )) ( (resid 91 and name HG2* )) 2.98 1.18 0.45
assign ((resid 17 and name HG2 )) ( (resid 18 and name HN )) 5.91 4.11 0.89
assign ((resid 38 and name HN )) ( (resid 38 and name HG2 )) 5.01 3.21 0.75
assign ((resid 28 and name HA )) ( (resid 28 and name HG2 )) 3.99 2.19 0.60
assign ((resid 83 and name HA )) ( (resid 83 and name HG1 )) 3.94 2.14 0.59
assign ((resid 7 and name HN )) ( (resid 7 and name HG2 )) 4.58 2.78 0.69
assign ((resid 7 and name HA )) ( (resid 7 and name HG2 )) 3.77 1.97 0.57
assign ((resid 7 and name HG2 )) ( (resid 25 and name HB )) 4.10 2.30 0.62
assign ((resid 20 and name HG2 )) ( (resid 21 and name HN )) 4.27 2.47 0.64
assign ((resid 20 and name HA )) ( (resid 20 and name HG2 )) 3.89 2.09 0.58
assign ((resid 12 and name HD1* )) ( (resid 20 and name HG2 )) 3.84 2.04 0.58
assign ((resid 11 and name HD1* )) ( (resid 21 and name HG2 )) 3.98 2.18 0.60
assign ((resid 31 and name HG2 )) ( (resid 32 and name HN )) 4.24 2.44 0.64
assign ((resid 32 and name HG1 )) ( (resid 46 and name HA )) 4.15 2.35 0.62
assign ((resid 34 and name HG2* )) ( (resid 36 and name HG2 )) 4.00 2.20 0.60
assign ((resid 25 and name HA )) ( (resid 50 and name HG2 )) 4.26 2.46 0.64
assign ((resid 56 and name HG2 )) ( (resid 57 and name HN )) 4.15 2.35 0.62
assign ((resid 42 and name HE2 )) ( (resid 56 and name HG2 )) 4.39 2.59 0.66
assign ((resid 63 and name HG1* )) ( (resid 67 and name HG2 )) 4.28 2.48 0.64
assign ((resid 89 and name HA )) ( (resid 89 and name HG2 )) 3.83 2.03 0.57
assign ((resid 9 and name HG2* )) ( (resid 89 and name HG2 )) 3.81 2.01 0.57
assign ((resid 7 and name HA )) ( (resid 7 and name HG1 )) 3.78 1.98 0.57
assign ((resid 7 and name HG1 )) ( (resid 25 and name HB )) 4.09 2.29 0.61
assign ((resid 7 and name HG1 )) ( (resid 25 and name HG2* )) 3.75 1.95 0.56
assign ((resid 22 and name HN )) ( (resid 22 and name HG12 )) 4.87 3.07 0.73
assign ((resid 22 and name HG2* )) ( (resid 22 and name HG12 )) 3.56 1.76 0.53
assign ((resid 11 and name HD1* )) ( (resid 21 and name HG1 )) 3.98 2.18 0.60
assign ((resid 89 and name HA )) ( (resid 89 and name HG1 )) 4.00 2.20 0.60
assign ((resid 9 and name HG2* )) ( (resid 89 and name HG1 )) 3.80 2.00 0.57
assign ((resid 45 and name HN )) ( (resid 45 and name HG1 )) 4.29 2.49 0.64
assign ((resid 70 and name HA )) ( (resid 70 and name HD1 )) 3.83 2.03 0.57
assign ((resid 63 and name HG1* )) ( (resid 67 and name HG1 )) 4.12 2.32 0.62
assign ((resid 11 and name HD1* )) ( (resid 12 and name HN )) 4.06 2.26 0.61
assign ((resid 11 and name HD1* )) ( (resid 21 and name HB2 )) 3.54 1.74 0.53
assign ((resid 11 and name HD1* )) ( (resid 89 and name HD2 )) 3.45 1.65 0.52
assign ((resid 11 and name HD1* )) ( (resid 89 and name HD1 )) 3.45 1.65 0.52
assign ((resid 11 and name HD1* )) ( (resid 89 and name HG2 )) 4.02 2.22 0.60
assign ((resid 11 and name HD1* )) ( (resid 89 and name HG1 )) 4.43 2.63 0.66
assign ((resid 10 and name HB* )) ( (resid 11 and name HD1* )) 4.56 2.76 0.68
assign ((resid 12 and name HD1* )) ( (resid 33 and name HE2 )) 3.41 1.61 0.51
assign ((resid 12 and name HA )) ( (resid 12 and name HD1* )) 3.96 2.16 0.59
assign ((resid 12 and name HD1* )) ( (resid 20 and name HB1 )) 3.53 1.73 0.53
assign ((resid 12 and name HD1* )) ( (resid 20 and name HG1 )) 3.52 1.72 0.53
assign ((resid 12 and name HD1* )) ( (resid 22 and name HD1* )) 2.72 0.92 0.41
assign ((resid 19 and name HN )) ( (resid 19 and name HD1* )) 3.94 2.14 0.59
assign ((resid 14 and name HE21 )) ( (resid 19 and name HD1* )) 5.05 3.25 0.76
assign ((resid 19 and name HA )) ( (resid 19 and name HD1* )) 4.35 2.55 0.65
assign ((resid 14 and name HB1 )) ( (resid 19 and name HD1* )) 3.50 1.70 0.53
assign ((resid 14 and name HG2 )) ( (resid 19 and name HD1* )) 4.28 2.48 0.64
assign ((resid 19 and name HB )) ( (resid 19 and name HD1* )) 3.11 1.31 0.47
assign ((resid 19 and name HD1* )) ( (resid 35 and name HB )) 4.41 2.61 0.66
assign ((resid 19 and name HD1* )) ( (resid 20 and name HB1 )) 4.38 2.58 0.66
assign ((resid 19 and name HD1* )) ( (resid 35 and name HG11 )) 4.67 2.87 0.70
assign ((resid 14 and name HB2 )) ( (resid 19 and name HD1* )) 3.48 1.68 0.52
assign ((resid 47 and name HA )) ( (resid 52 and name HD1* )) 4.35 2.55 0.65
assign ((resid 45 and name HA )) ( (resid 52 and name HD1* )) 4.19 2.39 0.63
assign ((resid 22 and name HA )) ( (resid 22 and name HD1* )) 3.88 2.08 0.58
assign ((resid 22 and name HB )) ( (resid 22 and name HD1* )) 3.22 1.42 0.48
assign ((resid 20 and name HG2 )) ( (resid 22 and name HD1* )) 3.96 2.16 0.59
assign ((resid 20 and name HG1 )) ( (resid 22 and name HD1* )) 3.35 1.55 0.50
assign ((resid 45 and name HB1 )) ( (resid 52 and name HD1* )) 3.12 1.32 0.47
assign ((resid 45 and name HB2 )) ( (resid 52 and name HD1* )) 4.07 2.27 0.61
assign ((resid 47 and name HG1* )) ( (resid 52 and name HD1* )) 3.85 2.05 0.58
assign ((resid 24 and name HN )) ( (resid 24 and name HD1* )) 4.28 2.48 0.64
assign ((resid 9 and name HA )) ( (resid 24 and name HD1* )) 4.59 2.79 0.69
assign ((resid 24 and name HD1* )) ( (resid 50 and name HA )) 5.12 3.32 0.77
assign ((resid 8 and name HB )) ( (resid 24 and name HD1* )) 4.39 2.59 0.66
assign ((resid 24 and name HB2 )) ( (resid 24 and name HD1* )) 3.54 1.74 0.53
assign ((resid 24 and name HD1* )) ( (resid 52 and name HB )) 4.17 2.37 0.63
assign ((resid 24 and name HB1 )) ( (resid 24 and name HD1* )) 3.49 1.69 0.52
assign ((resid 35 and name HD1* )) ( (resid 43 and name HB1 )) 4.18 2.38 0.63
assign ((resid 35 and name HD1* )) ( (resid 45 and name HG2 )) 3.92 2.12 0.59
assign ((resid 107 and name HD2* )) ( (resid 108 and name HN )) 4.97 3.17 0.75
assign ((resid 32 and name HA )) ( (resid 44 and name HD1* )) 4.34 2.54 0.65
assign ((resid 34 and name HA )) ( (resid 44 and name HD1* )) 3.54 1.74 0.53
assign ((resid 44 and name HA )) ( (resid 44 and name HD1* )) 3.24 1.44 0.49
assign ((resid 44 and name HB1 )) ( (resid 44 and name HD1* )) 3.44 1.64 0.52
assign ((resid 32 and name HB1 )) ( (resid 44 and name HD1* )) 3.26 1.46 0.49
assign ((resid 44 and name HB2 )) ( (resid 44 and name HD1* )) 3.19 1.39 0.48
assign ((resid 34 and name HG2* )) ( (resid 44 and name HD1* )) 3.51 1.71 0.53
assign ((resid 43 and name HD21 )) ( (resid 54 and name HD1* )) 3.94 2.14 0.59
assign ((resid 43 and name HA )) ( (resid 54 and name HD1* )) 5.29 3.49 0.79
assign ((resid 54 and name HD1* )) ( (resid 64 and name HA1 )) 3.82 2.02 0.57
assign ((resid 54 and name HD1* )) ( (resid 67 and name HB2 )) 4.15 2.35 0.62
assign ((resid 54 and name HG2* )) ( (resid 54 and name HD1* )) 2.93 1.13 0.44
assign ((resid 80 and name HN )) ( (resid 80 and name HD1* )) 4.37 2.57 0.66
assign ((resid 80 and name HA )) ( (resid 80 and name HD1* )) 3.84 2.04 0.58
assign ((resid 80 and name HB2 )) ( (resid 80 and name HD1* )) 3.49 1.69 0.52
assign ((resid 80 and name HB1 )) ( (resid 80 and name HD1* )) 3.31 1.51 0.50
assign ((resid 88 and name HD1* )) ( (resid 89 and name HN )) 5.48 3.68 0.82
assign ((resid 74 and name HN )) ( (resid 88 and name HD1* )) 4.65 2.85 0.70
assign ((resid 51 and name HA )) ( (resid 88 and name HD1* )) 5.52 3.72 0.83
assign ((resid 76 and name HA )) ( (resid 88 and name HD1* )) 5.86 4.06 0.88
assign ((resid 10 and name HA )) ( (resid 88 and name HD1* )) 4.59 2.79 0.69
assign ((resid 72 and name HA )) ( (resid 88 and name HD1* )) 5.55 3.75 0.83
assign ((resid 75 and name HA )) ( (resid 88 and name HD1* )) 6.12 4.32 0.92
assign ((resid 87 and name HA )) ( (resid 88 and name HD1* )) 6.28 4.48 0.94
assign ((resid 75 and name HB2 )) ( (resid 88 and name HD1* )) 4.22 2.42 0.63
assign ((resid 75 and name HB1 )) ( (resid 88 and name HD1* )) 4.22 2.42 0.63
assign ((resid 70 and name HB1 )) ( (resid 88 and name HD1* )) 3.56 1.76 0.53
assign ((resid 70 and name HB2 )) ( (resid 88 and name HD1* )) 3.74 1.94 0.56
assign ((resid 70 and name HG1 )) ( (resid 88 and name HD1* )) 4.54 2.74 0.68
assign ((resid 10 and name HB* )) ( (resid 88 and name HD1* )) 3.73 1.93 0.56
assign ((resid 8 and name HG2* )) ( (resid 88 and name HD1* )) 3.85 2.05 0.58
assign ((resid 24 and name HD1* )) ( (resid 88 and name HD1* )) 2.84 1.04 0.43
assign ((resid 88 and name HG2* )) ( (resid 88 and name HD1* )) 2.91 1.11 0.44
assign ((resid 102 and name HA )) ( (resid 102 and name HD1* )) 4.14 2.34 0.62
assign ((resid 107 and name HA )) ( (resid 107 and name HD1* )) 4.67 2.87 0.70
assign ((resid 103 and name HA )) ( (resid 103 and name HD1* )) 4.05 2.25 0.61
assign ((resid 24 and name HD2* )) ( (resid 50 and name HA )) 4.40 2.60 0.66
assign ((resid 24 and name HA )) ( (resid 24 and name HD2* )) 3.06 1.26 0.46
assign ((resid 24 and name HD2* )) ( (resid 47 and name HB )) 5.62 3.82 0.84
assign ((resid 24 and name HD2* )) ( (resid 50 and name HB1 )) 6.08 4.28 0.91
assign ((resid 24 and name HD2* )) ( (resid 52 and name HB )) 3.55 1.75 0.53
assign ((resid 24 and name HB1 )) ( (resid 24 and name HD2* )) 3.44 1.64 0.52
assign ((resid 24 and name HD2* )) ( (resid 47 and name HG2* )) 3.35 1.55 0.50
assign ((resid 24 and name HD2* )) ( (resid 52 and name HG2* )) 3.19 1.39 0.48
assign ((resid 24 and name HD2* )) ( (resid 52 and name HD1* )) 3.12 1.32 0.47
assign ((resid 24 and name HD2* )) ( (resid 47 and name HG1* )) 2.87 1.07 0.43
assign ((resid 44 and name HA )) ( (resid 44 and name HD2* )) 3.97 2.17 0.60
assign ((resid 44 and name HD2* )) ( (resid 55 and name HE2 )) 4.56 2.76 0.68
assign ((resid 44 and name HD2* )) ( (resid 55 and name HE1 )) 4.56 2.76 0.68
assign ((resid 44 and name HB1 )) ( (resid 44 and name HD2* )) 3.35 1.55 0.50
assign ((resid 44 and name HD2* )) ( (resid 56 and name HB1 )) 3.76 1.96 0.56
assign ((resid 44 and name HD2* )) ( (resid 55 and name HB2 )) 4.37 2.57 0.66
assign ((resid 44 and name HD2* )) ( (resid 55 and name HD2 )) 4.00 2.20 0.60
assign ((resid 44 and name HB2 )) ( (resid 44 and name HD2* )) 3.17 1.37 0.48
assign ((resid 80 and name HN )) ( (resid 80 and name HD2* )) 4.37 2.57 0.66
assign ((resid 80 and name HA )) ( (resid 80 and name HD2* )) 3.84 2.04 0.58
assign ((resid 80 and name HB1 )) ( (resid 80 and name HD2* )) 3.31 1.51 0.50
assign ((resid 72 and name HD2 )) ( (resid 73 and name HN )) 5.39 3.59 0.81
assign ((resid 72 and name HD1 )) ( (resid 73 and name HN )) 5.39 3.59 0.81
assign ((resid 72 and name HN )) ( (resid 72 and name HD2 )) 5.86 4.06 0.88
assign ((resid 72 and name HN )) ( (resid 72 and name HD1 )) 5.86 4.06 0.88
assign ((resid 72 and name HA )) ( (resid 72 and name HD2 )) 4.69 2.89 0.70
assign ((resid 72 and name HA )) ( (resid 72 and name HD1 )) 4.69 2.89 0.70
assign ((resid 66 and name HA )) ( (resid 66 and name HD1 )) 4.77 2.97 0.72
assign ((resid 66 and name HB2 )) ( (resid 66 and name HD1 )) 3.27 1.47 0.49
assign ((resid 83 and name HB2 )) ( (resid 83 and name HD1 )) 4.15 2.35 0.62
assign ((resid 20 and name HA )) ( (resid 20 and name HD2 )) 4.21 2.41 0.63
assign ((resid 20 and name HB2 )) ( (resid 20 and name HD2 )) 4.15 2.35 0.62
assign ((resid 20 and name HD2 )) ( (resid 22 and name HD1* )) 4.17 2.37 0.63
assign ((resid 22 and name HA )) ( (resid 23 and name HD1 )) 3.11 1.31 0.47
assign ((resid 9 and name HG1* )) ( (resid 23 and name HD1 )) 4.43 2.63 0.66
assign ((resid 22 and name HG2* )) ( (resid 23 and name HD1 )) 3.79 1.99 0.57
assign ((resid 28 and name HA )) ( (resid 28 and name HD2 )) 5.69 3.89 0.85
assign ((resid 28 and name HA )) ( (resid 28 and name HD1 )) 5.69 3.89 0.85
assign ((resid 60 and name HD2 )) ( (resid 81 and name HG2 )) 4.20 2.40 0.63
assign ((resid 60 and name HD2 )) ( (resid 62 and name HG2 )) 5.41 3.61 0.81
assign ((resid 66 and name HA )) ( (resid 66 and name HD2 )) 4.77 2.97 0.72
assign ((resid 66 and name HB2 )) ( (resid 66 and name HD2 )) 3.27 1.47 0.49
assign ((resid 80 and name HB2 )) ( (resid 81 and name HD2 )) 3.82 2.02 0.57
assign ((resid 80 and name HB2 )) ( (resid 81 and name HD1 )) 3.95 2.15 0.59
assign ((resid 80 and name HB1 )) ( (resid 81 and name HD1 )) 3.39 1.59 0.51
assign ((resid 80 and name HD1* )) ( (resid 81 and name HD1 )) 4.18 2.38 0.63
assign ((resid 97 and name HA )) ( (resid 98 and name HD2 )) 2.95 1.15 0.44
assign ((resid 104 and name HB )) ( (resid 105 and name HD2 )) 3.87 2.07 0.58
assign ((resid 20 and name HA )) ( (resid 20 and name HD1 )) 4.21 2.41 0.63
assign ((resid 20 and name HD1 )) ( (resid 22 and name HD1* )) 4.17 2.37 0.63
assign ((resid 22 and name HA )) ( (resid 23 and name HD2 )) 3.18 1.38 0.48
assign ((resid 44 and name HD2* )) ( (resid 55 and name HD1 )) 4.00 2.20 0.60
assign ((resid 97 and name HA )) ( (resid 98 and name HD1 )) 2.95 1.15 0.44
assign ((resid 22 and name HG11 )) ( (resid 23 and name HD1 )) 5.14 3.34 0.77
assign ((resid 36 and name HB2 )) ( (resid 36 and name HE2 )) 5.39 3.59 0.81
assign ((resid 36 and name HB2 )) ( (resid 36 and name HE1 )) 5.39 3.59 0.81
assign ((resid 67 and name HB1 )) ( (resid 70 and name HE2 )) 3.98 2.18 0.60
assign ((resid 70 and name HG2 )) ( (resid 70 and name HE2 )) 4.11 2.31 0.62
assign ((resid 67 and name HB1 )) ( (resid 70 and name HE1 )) 3.98 2.18 0.60
assign ((resid 45 and name HE* )) ( (resid 54 and name HN )) 4.27 2.47 0.64
assign ((resid 45 and name HE* )) ( (resid 46 and name HN )) 4.63 2.83 0.69
assign ((resid 45 and name HA )) ( (resid 45 and name HE* )) 3.71 1.91 0.56
assign ((resid 45 and name HE* )) ( (resid 54 and name HA )) 3.89 2.09 0.58
assign ((resid 43 and name HB1 )) ( (resid 45 and name HE* )) 4.69 2.89 0.70
assign ((resid 45 and name HG2 )) ( (resid 45 and name HE* )) 3.64 1.84 0.55
assign ((resid 45 and name HE* )) ( (resid 52 and name HG11 )) 4.61 2.81 0.69
assign ((resid 45 and name HE* )) ( (resid 86 and name HB )) 5.05 3.25 0.76
assign ((resid 45 and name HB1 )) ( (resid 45 and name HE* )) 3.34 1.54 0.50
assign ((resid 12 and name HG2* )) ( (resid 45 and name HE* )) 3.89 2.09 0.58
assign ((resid 35 and name HD1* )) ( (resid 45 and name HE* )) 4.17 2.37 0.63
assign ((resid 45 and name HE* )) ( (resid 52 and name HG12 )) 3.30 1.50 0.50
assign ((resid 45 and name HB2 )) ( (resid 45 and name HE* )) 4.04 2.24 0.61
assign ((resid 45 and name HE* )) ( (resid 52 and name HD1* )) 2.94 1.14 0.44
assign ((resid 45 and name HE* )) ( (resid 86 and name HG2* )) 3.12 1.32 0.47
assign ((resid 19 and name HG2* )) ( (resid 19 and name HD1* )) 2.82 1.02 0.42
assign ((resid 24 and name HA )) ( (resid 27 and name HB2 )) 4.40 2.60 0.66
assign ((resid 73 and name HA )) ( (resid 74 and name HA1 )) 4.60 2.80 0.69
assign ((resid 66 and name HA )) ( (resid 68 and name HN )) 4.47 2.67 0.67
assign ((resid 11 and name HN )) ( (resid 88 and name HD1* )) 5.43 3.63 0.81
assign ((resid 88 and name HA )) ( (resid 88 and name HD1* )) 4.00 2.20 0.60
assign ((resid 19 and name HD1* )) ( (resid 20 and name HN )) 4.20 2.40 0.63
assign ((resid 86 and name HG2* )) ( (resid 87 and name HN )) 4.12 2.32 0.62
assign ((resid 63 and name HN )) ( (resid 65 and name HG2* )) 5.07 3.27 0.76
assign ((resid 56 and name HN )) ( (resid 65 and name HG2* )) 5.07 3.27 0.76
assign ((resid 24 and name HD2* )) ( (resid 25 and name HN )) 4.54 2.74 0.68
assign ((resid 24 and name HD1* )) ( (resid 88 and name HA )) 4.68 2.88 0.70
assign ((resid 33 and name HE1 )) ( (resid 45 and name HB1 )) 4.99 3.19 0.75
assign ((resid 33 and name HE2 )) ( (resid 45 and name HB1 )) 5.31 3.51 0.80
assign ((resid 81 and name HB1 )) ( (resid 82 and name HN )) 4.52 2.72 0.68
assign ((resid 21 and name HB1 )) ( (resid 22 and name HN )) 4.38 2.58 0.66
assign ((resid 42 and name HD1 )) ( (resid 57 and name HA )) 5.45 3.65 0.82
assign ((resid 42 and name HD2 )) ( (resid 57 and name HA )) 5.70 3.90 0.86
assign ((resid 22 and name HG11 )) ( (resid 23 and name HD2 )) 5.50 3.70 0.83
assign ((resid 21 and name HA )) ( (resid 22 and name HG11 )) 4.82 3.02 0.72
assign ((resid 12 and name HA )) ( (resid 87 and name HN )) 4.87 3.07 0.73
assign ((resid 7 and name HG1 )) ( (resid 8 and name HN )) 4.75 2.95 0.71
assign ((resid 45 and name HE* )) ( (resid 55 and name HN )) 5.88 4.08 0.88
assign ((resid 45 and name HE* )) ( (resid 86 and name HN )) 6.59 4.79 0.99
assign ((resid 24 and name HD2* )) ( (resid 51 and name HA )) 4.63 2.83 0.69
assign ((resid 24 and name HD2* )) ( (resid 47 and name HA )) 4.47 2.67 0.67
assign ((resid 38 and name HA )) ( (resid 38 and name HD2 )) 5.47 3.67 0.82
assign ((resid 38 and name HA )) ( (resid 38 and name HD1 )) 5.47 3.67 0.82
assign ((resid 24 and name HD2* )) ( (resid 52 and name HA )) 4.60 2.80 0.69
assign ((resid 52 and name HG12 )) ( (resid 53 and name HA )) 4.18 2.38 0.63
assign ((resid 14 and name HB2 )) ( (resid 35 and name HG2* )) 4.53 2.73 0.68
assign ((resid 103 and name HG2* )) ( (resid 104 and name HN )) 4.81 3.01 0.72
assign ((resid 51 and name HG2 )) ( (resid 52 and name HN )) 5.32 3.52 0.80
assign ((resid 51 and name HG1 )) ( (resid 52 and name HN )) 5.04 3.24 0.76
assign ((resid 36 and name HA )) ( (resid 36 and name HD2 )) 5.48 3.68 0.82
assign ((resid 36 and name HA )) ( (resid 36 and name HD1 )) 5.48 3.68 0.82
assign ((resid 47 and name HA )) ( (resid 52 and name HG12 )) 4.94 3.14 0.74
assign ((resid 37 and name HA1 )) ( (resid 41 and name HB1 )) 4.72 2.92 0.71
assign ((resid 93 and name HA )) ( (resid 93 and name HD2 )) 5.60 3.80 0.84
assign ((resid 93 and name HA )) ( (resid 93 and name HD1 )) 5.60 3.80 0.84
assign ((resid 64 and name HA2 )) ( (resid 78 and name HN )) 5.23 3.43 0.78
assign ((resid 20 and name HG2 )) ( (resid 33 and name HE2 )) 5.45 3.65 0.82
assign ((resid 20 and name HG2 )) ( (resid 33 and name HD2 )) 5.40 3.60 0.81
assign ((resid 11 and name HG11 )) ( (resid 89 and name HN )) 4.94 3.14 0.74
assign ((resid 14 and name HG1 )) ( (resid 19 and name HG2* )) 4.80 3.00 0.72
assign ((resid 34 and name HG2* )) ( (resid 36 and name HB2 )) 5.65 3.85 0.85
assign ((resid 12 and name HD1* )) ( (resid 21 and name HA )) 4.50 2.70 0.68
assign ((resid 44 and name HB2 )) ( (resid 56 and name HG2 )) 5.60 3.80 0.84
assign ((resid 44 and name HB2 )) ( (resid 56 and name HG1 )) 5.60 3.80 0.84
assign ((resid 44 and name HB1 )) ( (resid 57 and name HA )) 5.19 3.39 0.78
assign ((resid 107 and name HN )) ( (resid 107 and name HG )) 4.53 2.73 0.68
assign ((resid 97 and name HA )) ( (resid 98 and name HG2 )) 5.49 3.69 0.82
assign ((resid 97 and name HA )) ( (resid 98 and name HG1 )) 5.49 3.69 0.82
assign ((resid 102 and name HD1* )) ( (resid 104 and name HN )) 5.46 3.66 0.82
assign ((resid 10 and name HB* )) ( (resid 23 and name HA )) 5.07 3.27 0.76
assign ((resid 23 and name HA )) ( (resid 91 and name HG2* )) 5.49 3.69 0.82
assign ((resid 8 and name HN )) ( (resid 25 and name HA )) 4.72 2.92 0.71
assign ((resid 59 and name HB1 )) ( (resid 61 and name HN )) 4.78 2.98 0.72
assign ((resid 78 and name HA )) ( (resid 79 and name HB2 )) 4.77 2.97 0.72
assign ((resid 66 and name HB2 )) ( (resid 67 and name HA )) 5.07 3.27 0.76
assign ((resid 66 and name HB1 )) ( (resid 67 and name HA )) 5.32 3.52 0.80
assign ((resid 18 and name HG1* )) ( (resid 19 and name HA )) 4.15 2.35 0.62
assign ((resid 24 and name HD1* )) ( (resid 71 and name HB2 )) 4.81 3.01 0.72
assign ((resid 24 and name HD1* )) ( (resid 71 and name HB1 )) 5.12 3.32 0.77
assign ((resid 80 and name HB1 )) ( (resid 81 and name HA )) 4.48 2.68 0.67
assign ((resid 59 and name HB2 )) ( (resid 61 and name HN )) 4.78 2.98 0.72
assign ((resid 14 and name HG1 )) ( (resid 84 and name HA )) 4.55 2.75 0.68
assign ((resid 84 and name HA )) ( (resid 85 and name HB2 )) 4.54 2.74 0.68
assign ((resid 12 and name HA )) ( (resid 86 and name HG2* )) 4.81 3.01 0.72
assign ((resid 12 and name HA )) ( (resid 86 and name HG1* )) 4.81 3.01 0.72
assign ((resid 88 and name HA )) ( (resid 89 and name HG2 )) 4.78 2.98 0.72
assign ((resid 12 and name HG11 )) ( (resid 86 and name HA )) 4.85 3.05 0.73
assign ((resid 12 and name HG2* )) ( (resid 86 and name HA )) 4.53 2.73 0.68
assign ((resid 44 and name HD2* )) ( (resid 55 and name HA )) 4.88 3.08 0.73
assign ((resid 8 and name HG2* )) ( (resid 24 and name HA )) 5.37 3.57 0.81
assign ((resid 24 and name HA )) ( (resid 47 and name HG2* )) 5.76 3.96 0.86
assign ((resid 75 and name HA )) ( (resid 76 and name HG2* )) 4.57 2.77 0.69
assign ((resid 12 and name HB )) ( (resid 20 and name HA )) 5.25 3.45 0.79
assign ((resid 9 and name HA )) ( (resid 23 and name HB2 )) 4.98 3.18 0.75
assign ((resid 33 and name HN )) ( (resid 46 and name HA )) 4.79 2.99 0.72
assign ((resid 72 and name HA )) ( (resid 88 and name HG2* )) 4.65 2.85 0.70
assign ((resid 25 and name HA )) ( (resid 50 and name HB2 )) 4.45 2.65 0.67
assign ((resid 25 and name HA )) ( (resid 50 and name HB1 )) 4.99 3.19 0.75
assign ((resid 25 and name HA )) ( (resid 50 and name HG1 )) 4.90 3.10 0.74
assign ((resid 28 and name HA )) ( (resid 29 and name HA1 )) 4.84 3.04 0.73
assign ((resid 64 and name HA2 )) ( (resid 67 and name HB2 )) 4.70 2.90 0.70
assign ((resid 64 and name HA1 )) ( (resid 67 and name HB2 )) 5.01 3.21 0.75
assign ((resid 63 and name HG1* )) ( (resid 64 and name HA2 )) 4.19 2.39 0.63
assign ((resid 63 and name HG1* )) ( (resid 64 and name HA1 )) 4.84 3.04 0.73
assign ((resid 54 and name HG2* )) ( (resid 64 and name HA1 )) 5.05 3.25 0.76
assign ((resid 64 and name HA2 )) ( (resid 77 and name HD1* )) 5.02 3.22 0.75
assign ((resid 49 and name HA2 )) ( (resid 50 and name HG1 )) 4.98 3.18 0.75
assign ((resid 49 and name HA1 )) ( (resid 50 and name HG1 )) 4.98 3.18 0.75
assign ((resid 81 and name HD2 )) ( (resid 83 and name HN )) 4.85 3.05 0.73
assign ((resid 60 and name HD1 )) ( (resid 81 and name HB1 )) 4.59 2.79 0.69
assign ((resid 8 and name HB )) ( (resid 73 and name HA )) 4.64 2.84 0.70
assign ((resid 81 and name HB2 )) ( (resid 82 and name HB2 )) 5.55 3.75 0.83
assign ((resid 45 and name HB2 )) ( (resid 47 and name HG2* )) 4.48 2.68 0.67
assign ((resid 35 and name HD1* )) ( (resid 45 and name HB1 )) 5.29 3.49 0.79
assign ((resid 66 and name HN )) ( (resid 66 and name HD2 )) 4.63 2.83 0.69
assign ((resid 66 and name HN )) ( (resid 66 and name HD1 )) 4.63 2.83 0.69
assign ((resid 39 and name HN )) ( (resid 41 and name HB2 )) 4.88 3.08 0.73
assign ((resid 70 and name HB1 )) ( (resid 75 and name HN )) 4.74 2.94 0.71
assign ((resid 44 and name HN )) ( (resid 44 and name HG )) 4.58 2.78 0.69
assign ((resid 22 and name HG2* )) ( (resid 23 and name HG2 )) 4.77 2.97 0.72
assign ((resid 12 and name HG2* )) ( (resid 13 and name HA )) 4.28 2.48 0.64
assign ((resid 24 and name HB1 )) ( (resid 50 and name HB2 )) 5.36 3.56 0.80
assign ((resid 35 and name HG2* )) ( (resid 43 and name HB2 )) 4.64 2.84 0.70
assign ((resid 35 and name HG2* )) ( (resid 43 and name HB1 )) 5.14 3.34 0.77
assign ((resid 45 and name HN )) ( (resid 52 and name HD1* )) 5.59 3.79 0.84
assign ((resid 12 and name HG2* )) ( (resid 20 and name HB1 )) 4.08 2.28 0.61
assign ((resid 10 and name HN )) ( (resid 22 and name HG2* )) 5.04 3.24 0.76
assign ((resid 45 and name HG1 )) ( (resid 52 and name HD1* )) 4.66 2.86 0.70
assign ((resid 40 and name HB* )) ( (resid 41 and name HA )) 4.69 2.89 0.70
assign ((resid 77 and name HG2* )) ( (resid 86 and name HB )) 4.11 2.31 0.62
assign ((resid 7 and name HN )) ( (resid 8 and name HG2* )) 5.38 3.58 0.81
assign ((resid 24 and name HA )) ( (resid 47 and name HG1* )) 4.47 2.67 0.67
assign ((resid 47 and name HG1* )) ( (resid 48 and name HA )) 4.76 2.96 0.71
assign ((resid 78 and name HG1* )) ( (resid 79 and name HA )) 3.76 1.96 0.56
assign ((resid 34 and name HG2* )) ( (resid 35 and name HA )) 4.28 2.48 0.64
assign ((resid 7 and name HA )) ( (resid 91 and name HG2* )) 4.57 2.77 0.69
assign ((resid 9 and name HA )) ( (resid 91 and name HG2* )) 5.00 3.20 0.75
assign ((resid 90 and name HA )) ( (resid 91 and name HG2* )) 4.00 2.20 0.60
assign ((resid 25 and name HG2* )) ( (resid 50 and name HG2 )) 4.66 2.86 0.70
assign ((resid 35 and name HN )) ( (resid 44 and name HD1* )) 5.12 3.32 0.77
assign ((resid 17 and name HA )) ( (resid 18 and name HG2* )) 3.73 1.93 0.56
assign ((resid 28 and name HG2 )) ( (resid 29 and name HN )) 4.71 2.91 0.71
assign ((resid 62 and name HB2 )) ( (resid 66 and name HE2 )) 6.40 4.60 0.96
assign ((resid 62 and name HB2 )) ( (resid 66 and name HE1 )) 6.40 4.60 0.96
assign ((resid 62 and name HB1 )) ( (resid 66 and name HE2 )) 6.40 4.60 0.96
assign ((resid 62 and name HB1 )) ( (resid 66 and name HE1 )) 6.40 4.60 0.96
assign ((resid 34 and name HA )) ( (resid 35 and name HG11 )) 4.78 2.98 0.72
assign ((resid 4 and name HG2* )) ( (resid 6 and name HN )) 4.55 2.75 0.68
assign ((resid 14 and name HB1 )) ( (resid 19 and name HG12 )) 4.83 3.03 0.72
assign ((resid 60 and name HG1 )) ( (resid 81 and name HB1 )) 4.69 2.89 0.70
assign ((resid 60 and name HG2 )) ( (resid 81 and name HB1 )) 4.69 2.89 0.70
assign ((resid 14 and name HA )) ( (resid 19 and name HD1* )) 4.83 3.03 0.72
assign ((resid 7 and name HG2 )) ( (resid 91 and name HG2* )) 4.60 2.80 0.69
assign ((resid 7 and name HG1 )) ( (resid 91 and name HG2* )) 5.08 3.28 0.76
assign ((resid 53 and name HA )) ( (resid 54 and name HB )) 5.14 3.34 0.77
assign ((resid 24 and name HD1* )) ( (resid 88 and name HG12 )) 4.50 2.70 0.68
assign ((resid 29 and name HA1 )) ( (resid 30 and name HB2 )) 5.82 4.02 0.87
assign ((resid 29 and name HA1 )) ( (resid 30 and name HB1 )) 5.82 4.02 0.87
assign ((resid 70 and name HA )) ( (resid 88 and name HD1* )) 4.61 2.81 0.69
assign ((resid 5 and name HA2 )) ( (resid 6 and name HA )) 5.27 3.47 0.79
assign ((resid 5 and name HA1 )) ( (resid 6 and name HA )) 5.27 3.47 0.79
assign ((resid 70 and name HD2 )) ( (resid 75 and name HB1 )) 4.72 2.92 0.71
assign ((resid 70 and name HD1 )) ( (resid 71 and name HN )) 4.66 2.86 0.70
assign ((resid 70 and name HD2 )) ( (resid 71 and name HN )) 5.46 3.66 0.82
assign ((resid 18 and name HA )) ( (resid 19 and name HA )) 4.47 2.67 0.67
assign ((resid 8 and name HA )) ( (resid 9 and name HA )) 4.72 2.92 0.71
assign ((resid 9 and name HA )) ( (resid 24 and name HD2* )) 5.30 3.50 0.80
assign ((resid 7 and name HA )) ( (resid 25 and name HA )) 5.17 3.37 0.78
assign ((resid 17 and name HA )) ( (resid 18 and name HA )) 5.44 3.64 0.82
assign ((resid 28 and name HA )) ( (resid 49 and name HA1 )) 4.95 3.15 0.74
assign ((resid 48 and name HA )) ( (resid 49 and name HA1 )) 5.00 3.20 0.75
assign ((resid 48 and name HA )) ( (resid 49 and name HA2 )) 5.00 3.20 0.75
assign ((resid 51 and name HA )) ( (resid 69 and name HE3 )) 4.79 2.99 0.72
assign ((resid 36 and name HA )) ( (resid 42 and name HB1 )) 4.66 2.86 0.70
assign ((resid 52 and name HN )) ( (resid 71 and name HB2 )) 5.51 3.71 0.83
assign ((resid 54 and name HD1* )) ( (resid 65 and name HA )) 4.49 2.69 0.67
assign ((resid 82 and name HB2 )) ( (resid 83 and name HN )) 5.02 3.22 0.75
assign ((resid 82 and name HB1 )) ( (resid 83 and name HN )) 5.02 3.22 0.75
assign ((resid 32 and name HG1 )) ( (resid 33 and name HN )) 5.34 3.54 0.80
assign ((resid 12 and name HD1* )) ( (resid 21 and name HB1 )) 5.37 3.57 0.81
assign ((resid 14 and name HG2 )) ( (resid 15 and name HB2 )) 5.07 3.27 0.76
assign ((resid 32 and name HB2 )) ( (resid 46 and name HA )) 4.90 3.10 0.74
assign ((resid 33 and name HZ )) ( (resid 45 and name HG2 )) 4.69 2.89 0.70
assign ((resid 81 and name HG1 )) ( (resid 82 and name HN )) 5.15 3.35 0.77
assign ((resid 81 and name HG2 )) ( (resid 82 and name HD2 )) 5.02 3.22 0.75
assign ((resid 50 and name HA )) ( (resid 51 and name HG1 )) 6.43 4.63 0.96
assign ((resid 51 and name HG1 )) ( (resid 69 and name HA )) 6.90 5.10 1.04
assign ((resid 50 and name HA )) ( (resid 51 and name HG2 )) 4.91 3.11 0.74
assign ((resid 51 and name HG1 )) ( (resid 71 and name HB1 )) 5.19 3.39 0.78
assign ((resid 33 and name HZ )) ( (resid 45 and name HE* )) 4.52 2.72 0.68
assign ((resid 45 and name HG1 )) ( (resid 45 and name HE* )) 3.46 1.66 0.52
assign ((resid 53 and name HB2 )) ( (resid 70 and name HN )) 5.13 3.33 0.77
assign ((resid 53 and name HD2 )) ( (resid 55 and name HA )) 4.83 3.03 0.72
assign ((resid 8 and name HN )) ( (resid 8 and name HG1* )) 3.48 1.68 0.52
assign ((resid 11 and name HA )) ( (resid 21 and name HB1 )) 4.61 2.81 0.69
assign ((resid 10 and name HA )) ( (resid 11 and name HB )) 5.08 3.28 0.76
assign ((resid 11 and name HB )) ( (resid 86 and name HA )) 5.50 3.70 0.83
assign ((resid 11 and name HG2* )) ( (resid 13 and name HN )) 4.69 2.89 0.70
assign ((resid 11 and name HG2* )) ( (resid 20 and name HN )) 4.91 3.11 0.74
assign ((resid 11 and name HG2* )) ( (resid 13 and name HA )) 4.74 2.94 0.71
assign ((resid 12 and name HG12 )) ( (resid 13 and name HN )) 5.29 3.49 0.79
assign ((resid 12 and name HG2* )) ( (resid 19 and name HN )) 4.87 3.07 0.73
assign ((resid 13 and name HA )) ( (resid 14 and name HB1 )) 4.97 3.17 0.75
assign ((resid 12 and name HB )) ( (resid 13 and name HA )) 4.74 2.94 0.71
assign ((resid 13 and name HA )) ( (resid 19 and name HG11 )) 4.65 2.85 0.70
assign ((resid 13 and name HA )) ( (resid 14 and name HB2 )) 4.97 3.17 0.75
assign ((resid 14 and name HA )) ( (resid 83 and name HB1 )) 4.91 3.11 0.74
assign ((resid 14 and name HA )) ( (resid 19 and name HG2* )) 4.73 2.93 0.71
assign ((resid 14 and name HA )) ( (resid 84 and name HG1* )) 4.73 2.93 0.71
assign ((resid 13 and name HA )) ( (resid 14 and name HA )) 4.63 2.83 0.69
assign ((resid 14 and name HN )) ( (resid 14 and name HG1 )) 5.20 3.40 0.78
assign ((resid 15 and name HA )) ( (resid 17 and name HG2 )) 5.32 3.52 0.80
assign ((resid 14 and name HB1 )) ( (resid 15 and name HB2 )) 4.69 2.89 0.70
assign ((resid 14 and name HG1 )) ( (resid 15 and name HB2 )) 5.20 3.40 0.78
assign ((resid 15 and name HB2 )) ( (resid 83 and name HB1 )) 5.20 3.40 0.78
assign ((resid 15 and name HB1 )) ( (resid 83 and name HB1 )) 5.36 3.56 0.80
assign ((resid 14 and name HG2 )) ( (resid 15 and name HB1 )) 4.80 3.00 0.72
assign ((resid 14 and name HN )) ( (resid 15 and name HB2 )) 5.80 4.00 0.87
assign ((resid 15 and name HA )) ( (resid 16 and name HA2 )) 4.92 3.12 0.74
assign ((resid 15 and name HA )) ( (resid 16 and name HA1 )) 4.92 3.12 0.74
assign ((resid 19 and name HA )) ( (resid 20 and name HB1 )) 6.56 4.76 0.98
assign ((resid 19 and name HD1* )) ( (resid 33 and name HE2 )) 5.62 3.82 0.84
assign ((resid 19 and name HD1* )) ( (resid 33 and name HD2 )) 6.15 4.35 0.92
assign ((resid 18 and name HA )) ( (resid 19 and name HD1* )) 5.42 3.62 0.81
assign ((resid 18 and name HG1* )) ( (resid 20 and name HA )) 4.15 2.35 0.62
assign ((resid 19 and name HN )) ( (resid 20 and name HB1 )) 5.01 3.21 0.75
assign ((resid 19 and name HN )) ( (resid 20 and name HB2 )) 5.26 3.46 0.79
assign ((resid 19 and name HG2* )) ( (resid 20 and name HB2 )) 5.32 3.52 0.80
assign ((resid 20 and name HB1 )) ( (resid 22 and name HD1* )) 4.57 2.77 0.69
assign ((resid 20 and name HD1 )) ( (resid 21 and name HN )) 4.69 2.89 0.70
assign ((resid 20 and name HB2 )) ( (resid 20 and name HD1 )) 4.15 2.35 0.62
assign ((resid 70 and name HG2 )) ( (resid 70 and name HE1 )) 4.11 2.31 0.62
assign ((resid 10 and name HN )) ( (resid 22 and name HB )) 5.01 3.21 0.75
assign ((resid 21 and name HA )) ( (resid 22 and name HB )) 5.03 3.23 0.75
assign ((resid 12 and name HD1* )) ( (resid 22 and name HB )) 4.83 3.03 0.72
assign ((resid 22 and name HB )) ( (resid 24 and name HD2* )) 4.57 2.77 0.69
assign ((resid 22 and name HG2* )) ( (resid 33 and name HE1 )) 5.07 3.27 0.76
assign ((resid 22 and name HG2* )) ( (resid 23 and name HD2 )) 3.70 1.90 0.56
assign ((resid 22 and name HG12 )) ( (resid 23 and name HD1 )) 5.46 3.66 0.82
assign ((resid 22 and name HG12 )) ( (resid 23 and name HD2 )) 4.95 3.15 0.74
assign ((resid 9 and name HG1* )) ( (resid 23 and name HD2 )) 5.09 3.29 0.76
assign ((resid 24 and name HD1* )) ( (resid 25 and name HN )) 4.73 2.93 0.71
assign ((resid 24 and name HD1* )) ( (resid 52 and name HN )) 5.03 3.23 0.75
assign ((resid 10 and name HN )) ( (resid 24 and name HD1* )) 4.70 2.90 0.70
assign ((resid 7 and name HN )) ( (resid 25 and name HG2* )) 5.00 3.20 0.75
assign ((resid 24 and name HD2* )) ( (resid 27 and name HB2 )) 5.56 3.76 0.83
assign ((resid 24 and name HD2* )) ( (resid 27 and name HB1 )) 5.56 3.76 0.83
assign ((resid 29 and name HA2 )) ( (resid 30 and name HB2 )) 5.82 4.02 0.87
assign ((resid 29 and name HA2 )) ( (resid 30 and name HB1 )) 5.82 4.02 0.87
assign ((resid 28 and name HA )) ( (resid 29 and name HA2 )) 4.84 3.04 0.73
assign ((resid 30 and name HA )) ( (resid 32 and name HG2 )) 6.49 4.69 0.97
assign ((resid 30 and name HA )) ( (resid 48 and name HB1 )) 6.81 5.01 1.02
assign ((resid 30 and name HA )) ( (resid 48 and name HB2 )) 4.85 3.05 0.73
assign ((resid 30 and name HA )) ( (resid 31 and name HB2 )) 5.03 3.23 0.75
assign ((resid 30 and name HA )) ( (resid 31 and name HB1 )) 5.39 3.59 0.81
assign ((resid 31 and name HG2 )) ( (resid 47 and name HG2* )) 4.79 2.99 0.72
assign ((resid 31 and name HG1 )) ( (resid 47 and name HG1* )) 5.67 3.87 0.85
assign ((resid 31 and name HG2 )) ( (resid 47 and name HG1* )) 5.67 3.87 0.85
assign ((resid 31 and name HN )) ( (resid 31 and name HG2 )) 5.09 3.29 0.76
assign ((resid 31 and name HN )) ( (resid 31 and name HG1 )) 5.09 3.29 0.76
assign ((resid 7 and name HG2 )) ( (resid 25 and name HN )) 5.38 3.58 0.81
assign ((resid 32 and name HG2 )) ( (resid 44 and name HD1* )) 5.16 3.36 0.77
assign ((resid 32 and name HG2 )) ( (resid 47 and name HG2* )) 5.67 3.87 0.85
assign ((resid 32 and name HB1 )) ( (resid 33 and name HA )) 4.86 3.06 0.73
assign ((resid 82 and name HN )) ( (resid 83 and name HG1 )) 5.28 3.48 0.79
assign ((resid 82 and name HN )) ( (resid 83 and name HG2 )) 5.28 3.48 0.79
assign ((resid 36 and name HA )) ( (resid 37 and name HA1 )) 4.72 2.92 0.71
assign ((resid 36 and name HA )) ( (resid 37 and name HA2 )) 5.05 3.25 0.76
assign ((resid 38 and name HA )) ( (resid 39 and name HA2 )) 4.63 2.83 0.69
assign ((resid 38 and name HA )) ( (resid 39 and name HA1 )) 4.63 2.83 0.69
assign ((resid 39 and name HA2 )) ( (resid 41 and name HN )) 4.86 3.06 0.73
assign ((resid 41 and name HB2 )) ( (resid 82 and name HD2 )) 5.12 3.32 0.77
assign ((resid 35 and name HN )) ( (resid 42 and name HA )) 4.73 2.93 0.71
assign ((resid 43 and name HB2 )) ( (resid 54 and name HD1* )) 5.80 4.00 0.87
assign ((resid 43 and name HB1 )) ( (resid 54 and name HD1* )) 6.07 4.27 0.91
assign ((resid 42 and name HE2 )) ( (resid 44 and name HB1 )) 4.54 2.74 0.68
assign ((resid 42 and name HD2 )) ( (resid 44 and name HB1 )) 5.03 3.23 0.75
assign ((resid 31 and name HA )) ( (resid 32 and name HB1 )) 5.74 3.94 0.86
assign ((resid 44 and name HA )) ( (resid 45 and name HG2 )) 5.07 3.27 0.76
assign ((resid 47 and name HG1* )) ( (resid 52 and name HG11 )) 4.53 2.73 0.68
assign ((resid 46 and name HG1 )) ( (resid 48 and name HB2 )) 4.87 3.07 0.73
assign ((resid 46 and name HG2 )) ( (resid 48 and name HB2 )) 4.87 3.07 0.73
assign ((resid 30 and name HD22 )) ( (resid 48 and name HB1 )) 5.03 3.23 0.75
assign ((resid 48 and name HB1 )) ( (resid 49 and name HN )) 5.30 3.50 0.80
assign ((resid 25 and name HG2* )) ( (resid 50 and name HG1 )) 5.14 3.34 0.77
assign ((resid 52 and name HA )) ( (resid 69 and name HE3 )) 4.95 3.15 0.74
assign ((resid 52 and name HB )) ( (resid 53 and name HN )) 4.70 2.90 0.70
assign ((resid 54 and name HD1* )) ( (resid 77 and name HB )) 4.52 2.72 0.68
assign ((resid 45 and name HE* )) ( (resid 54 and name HD1* )) 3.79 1.99 0.57
assign ((resid 54 and name HD1* )) ( (resid 77 and name HG2* )) 3.05 1.25 0.46
assign ((resid 54 and name HG2* )) ( (resid 65 and name HN )) 4.70 2.90 0.70
assign ((resid 56 and name HN )) ( (resid 56 and name HG2 )) 5.17 3.37 0.78
assign ((resid 56 and name HN )) ( (resid 56 and name HG1 )) 5.17 3.37 0.78
assign ((resid 42 and name HE1 )) ( (resid 58 and name HA )) 4.76 2.96 0.71
assign ((resid 60 and name HA )) ( (resid 62 and name HN )) 4.94 3.14 0.74
assign ((resid 64 and name HA2 )) ( (resid 67 and name HG1 )) 4.70 2.90 0.70
assign ((resid 51 and name HG2 )) ( (resid 71 and name HB1 )) 4.80 3.00 0.72
assign ((resid 24 and name HB2 )) ( (resid 71 and name HB2 )) 6.08 4.28 0.91
assign ((resid 51 and name HG2 )) ( (resid 71 and name HB2 )) 6.46 4.66 0.97
assign ((resid 24 and name HB1 )) ( (resid 71 and name HB1 )) 5.47 3.67 0.82
assign ((resid 73 and name HB* )) ( (resid 74 and name HA2 )) 4.51 2.71 0.68
assign ((resid 73 and name HB* )) ( (resid 74 and name HA1 )) 4.79 2.99 0.72
assign ((resid 74 and name HA1 )) ( (resid 76 and name HG2* )) 5.35 3.55 0.80
assign ((resid 74 and name HA2 )) ( (resid 76 and name HG2* )) 5.01 3.21 0.75
assign ((resid 70 and name HD2 )) ( (resid 75 and name HB2 )) 4.72 2.92 0.71
assign ((resid 76 and name HG2* )) ( (resid 86 and name HG1* )) 4.99 3.19 0.75
assign ((resid 76 and name HG2* )) ( (resid 88 and name HD1* )) 5.60 3.80 0.84
assign ((resid 77 and name HB )) ( (resid 86 and name HN )) 4.57 2.77 0.69
assign ((resid 64 and name HN )) ( (resid 77 and name HG2* )) 4.75 2.95 0.71
assign ((resid 67 and name HN )) ( (resid 77 and name HG2* )) 5.35 3.55 0.80
assign ((resid 35 and name HB )) ( (resid 45 and name HG2 )) 5.09 3.29 0.76
assign ((resid 80 and name HB2 )) ( (resid 81 and name HG2 )) 5.49 3.69 0.82
assign ((resid 80 and name HB1 )) ( (resid 81 and name HG1 )) 4.49 2.69 0.67
assign ((resid 80 and name HA )) ( (resid 81 and name HA )) 4.88 3.08 0.73
assign ((resid 60 and name HD2 )) ( (resid 81 and name HB1 )) 4.49 2.69 0.67
assign ((resid 60 and name HD2 )) ( (resid 81 and name HG1 )) 4.33 2.53 0.65
assign ((resid 80 and name HN )) ( (resid 81 and name HG1 )) 5.52 3.72 0.83
assign ((resid 61 and name HN )) ( (resid 81 and name HG2 )) 5.09 3.29 0.76
assign ((resid 82 and name HB1 )) ( (resid 84 and name HB )) 5.07 3.27 0.76
assign ((resid 84 and name HG1* )) ( (resid 85 and name HB1 )) 4.58 2.78 0.69
assign ((resid 84 and name HG1* )) ( (resid 85 and name HB2 )) 4.68 2.88 0.70
assign ((resid 12 and name HN )) ( (resid 86 and name HG1* )) 4.98 3.18 0.75
assign ((resid 52 and name HN )) ( (resid 88 and name HD1* )) 4.84 3.04 0.73
assign ((resid 88 and name HG12 )) ( (resid 89 and name HN )) 4.92 3.12 0.74
assign ((resid 74 and name HN )) ( (resid 88 and name HG12 )) 5.70 3.90 0.86
assign ((resid 88 and name HG11 )) ( (resid 89 and name HN )) 5.41 3.61 0.81
assign ((resid 102 and name HG )) ( (resid 103 and name HA )) 5.94 4.14 0.89
assign ((resid 48 and name HB1 )) ( (resid 51 and name HG1 )) 5.01 3.21 0.75
assign ((resid 48 and name HB2 )) ( (resid 51 and name HG2 )) 5.96 4.16 0.89
assign ((resid 50 and name HG1 )) ( (resid 51 and name HG2 )) 6.30 4.50 0.95
assign ((resid 82 and name HB1 )) ( (resid 84 and name HN )) 4.98 3.18 0.75
assign ((resid 82 and name HB2 )) ( (resid 84 and name HB )) 5.22 3.42 0.78
assign ((resid 34 and name HA )) ( (resid 35 and name HD1* )) 4.92 3.12 0.74
assign ((resid 35 and name HA )) ( (resid 35 and name HD1* )) 4.04 2.24 0.61
assign ((resid 77 and name HB )) ( (resid 86 and name HB )) 3.56 1.76 0.53
assign ((resid 46 and name HN )) ( (resid 52 and name HG11 )) 5.06 3.26 0.76
assign ((resid 28 and name HN )) ( (resid 28 and name HD2 )) 6.03 4.23 0.90
assign ((resid 28 and name HN )) ( (resid 28 and name HD1 )) 6.03 4.23 0.90
assign ((resid 11 and name HA )) ( (resid 12 and name HD1* )) 4.00 2.20 0.60
assign ((resid 25 and name HA )) ( (resid 50 and name HA )) 4.77 2.97 0.72
assign ((resid 32 and name HG1 )) ( (resid 47 and name HN )) 4.78 2.98 0.72
assign ((resid 14 and name HB2 )) ( (resid 19 and name HG12 )) 5.05 3.25 0.76
assign ((resid 34 and name HG2* )) ( (resid 44 and name HB1 )) 5.92 4.12 0.89
assign ((resid 89 and name HN )) ( (resid 89 and name HD2 )) 5.85 4.05 0.88
assign ((resid 89 and name HN )) ( (resid 89 and name HD1 )) 5.85 4.05 0.88
assign ((resid 44 and name HB1 )) ( (resid 54 and name HG2* )) 4.83 3.03 0.72
assign ((resid 20 and name HB1 )) ( (resid 35 and name HD1* )) 5.46 3.66 0.82
assign ((resid 19 and name HD1* )) ( (resid 20 and name HB2 )) 4.22 2.42 0.63
assign ((resid 10 and name HB* )) ( (resid 88 and name HG2* )) 3.98 2.18 0.60
assign ((resid 21 and name HA )) ( (resid 22 and name HD1* )) 4.59 2.79 0.69
assign ((resid 34 and name HA )) ( (resid 44 and name HB2 )) 4.88 3.08 0.73
assign ((resid 61 and name HB2 )) ( (resid 62 and name HN )) 5.16 3.36 0.77
assign ((resid 61 and name HB1 )) ( (resid 62 and name HN )) 5.16 3.36 0.77
assign ((resid 43 and name HB2 )) ( (resid 84 and name HG1* )) 5.17 3.37 0.78
assign ((resid 43 and name HB1 )) ( (resid 84 and name HG1* )) 5.56 3.76 0.83
assign ((resid 12 and name HB )) ( (resid 35 and name HD1* )) 4.20 2.40 0.63
assign ((resid 14 and name HB2 )) ( (resid 84 and name HA )) 4.98 3.18 0.75
assign ((resid 102 and name HB2 )) ( (resid 103 and name HN )) 5.38 3.58 0.81
assign ((resid 102 and name HB1 )) ( (resid 103 and name HN )) 5.38 3.58 0.81
assign ((resid 12 and name HB )) ( (resid 19 and name HD1* )) 4.22 2.42 0.63
assign ((resid 54 and name HG2* )) ( (resid 56 and name HA )) 3.59 1.79 0.54
assign ((resid 54 and name HG2* )) ( (resid 65 and name HA )) 4.03 2.23 0.60
assign ((resid 51 and name HN )) ( (resid 51 and name HD2 )) 5.30 3.50 0.80
assign ((resid 51 and name HN )) ( (resid 51 and name HD1 )) 5.30 3.50 0.80
assign ((resid 51 and name HB2 )) ( (resid 69 and name HB2 )) 5.19 3.39 0.78
assign ((resid 51 and name HB2 )) ( (resid 69 and name HB1 )) 5.19 3.39 0.78
assign ((resid 53 and name HB2 )) ( (resid 69 and name HA )) 4.53 2.73 0.68
assign ((resid 79 and name HA )) ( (resid 81 and name HG1 )) 5.66 3.86 0.85
assign ((resid 79 and name HA )) ( (resid 80 and name HB2 )) 4.76 2.96 0.71
assign ((resid 79 and name HA )) ( (resid 84 and name HB )) 5.15 3.35 0.77
assign ((resid 63 and name HG1* )) ( (resid 67 and name HA )) 5.23 3.43 0.78
assign ((resid 76 and name HA )) ( (resid 77 and name HB )) 4.95 3.15 0.74
assign ((resid 54 and name HN )) ( (resid 77 and name HG2* )) 5.64 3.84 0.85
assign ((resid 66 and name HA )) ( (resid 67 and name HA )) 4.90 3.10 0.74
assign ((resid 67 and name HB2 )) ( (resid 77 and name HG2* )) 4.49 2.69 0.67
assign ((resid 64 and name HN )) ( (resid 67 and name HG1 )) 5.90 4.10 0.89
assign ((resid 66 and name HN )) ( (resid 67 and name HG1 )) 6.43 4.63 0.96
assign ((resid 64 and name HN )) ( (resid 67 and name HG2 )) 5.86 4.06 0.88
assign ((resid 66 and name HN )) ( (resid 67 and name HG2 )) 6.08 4.28 0.91
assign ((resid 37 and name HN )) ( (resid 41 and name HB1 )) 4.98 3.18 0.75
assign ((resid 41 and name HB1 )) ( (resid 42 and name HN )) 4.25 2.45 0.64
assign ((resid 53 and name HN )) ( (resid 53 and name HG1 )) 4.72 2.92 0.71
assign ((resid 53 and name HN )) ( (resid 53 and name HG2 )) 4.72 2.92 0.71
assign ((resid 47 and name HN )) ( (resid 47 and name HG1* )) 3.99 2.19 0.60
assign ((resid 47 and name HG1* )) ( (resid 51 and name HN )) 4.06 2.26 0.61
assign ((resid 31 and name HN )) ( (resid 47 and name HG1* )) 4.20 2.40 0.63
assign ((resid 47 and name HG1* )) ( (resid 48 and name HN )) 3.36 1.56 0.50
assign ((resid 71 and name HN )) ( (resid 88 and name HG2* )) 5.60 3.80 0.84
assign ((resid 88 and name HG2* )) ( (resid 90 and name HN )) 5.12 3.32 0.77
assign ((resid 88 and name HN )) ( (resid 88 and name HG2* )) 3.98 2.18 0.60
assign ((resid 74 and name HN )) ( (resid 88 and name HG2* )) 3.69 1.89 0.55
assign ((resid 73 and name HN )) ( (resid 88 and name HG2* )) 4.16 2.36 0.62
assign ((resid 88 and name HG2* )) ( (resid 89 and name HN )) 3.29 1.49 0.49
assign ((resid 72 and name HN )) ( (resid 88 and name HG2* )) 5.02 3.22 0.75
assign ((resid 9 and name HN )) ( (resid 88 and name HG2* )) 3.71 1.91 0.56
assign ((resid 8 and name HN )) ( (resid 88 and name HG2* )) 5.49 3.69 0.82
assign ((resid 11 and name HN )) ( (resid 88 and name HG2* )) 4.85 3.05 0.73
assign ((resid 10 and name HN )) ( (resid 24 and name HD2* )) 4.23 2.43 0.63
assign ((resid 24 and name HD2* )) ( (resid 52 and name HN )) 4.42 2.62 0.66
assign ((resid 24 and name HD2* )) ( (resid 51 and name HN )) 4.07 2.27 0.61
assign ((resid 24 and name HN )) ( (resid 24 and name HD2* )) 3.92 2.12 0.59
assign ((resid 33 and name HN )) ( (resid 45 and name HB2 )) 4.19 2.39 0.63
assign ((resid 45 and name HN )) ( (resid 45 and name HB2 )) 3.63 1.83 0.54
assign ((resid 45 and name HB2 )) ( (resid 46 and name HN )) 4.37 2.57 0.66
assign ((resid 43 and name HD22 )) ( (resid 54 and name HD1* )) 3.94 2.14 0.59
assign ((resid 54 and name HD1* )) ( (resid 65 and name HN )) 4.16 2.36 0.62
assign ((resid 54 and name HN )) ( (resid 54 and name HD1* )) 4.24 2.44 0.64
assign ((resid 54 and name HD1* )) ( (resid 67 and name HN )) 5.02 3.22 0.75
assign ((resid 54 and name HD1* )) ( (resid 64 and name HN )) 4.34 2.54 0.65
assign ((resid 54 and name HD1* )) ( (resid 78 and name HN )) 5.98 4.18 0.90
assign ((resid 71 and name HN )) ( (resid 88 and name HD1* )) 4.23 2.43 0.63
assign ((resid 72 and name HN )) ( (resid 88 and name HD1* )) 3.90 2.10 0.59
assign ((resid 75 and name HN )) ( (resid 88 and name HD1* )) 4.10 2.30 0.62
assign ((resid 76 and name HN )) ( (resid 88 and name HD1* )) 5.48 3.68 0.82
assign ((resid 88 and name HN )) ( (resid 88 and name HD1* )) 4.15 2.35 0.62
assign ((resid 70 and name HN )) ( (resid 88 and name HD1* )) 4.65 2.85 0.70
assign ((resid 11 and name HN )) ( (resid 86 and name HG1* )) 3.98 2.18 0.60
assign ((resid 86 and name HG1* )) ( (resid 87 and name HN )) 3.22 1.42 0.48
assign ((resid 77 and name HN )) ( (resid 86 and name HG1* )) 3.94 2.14 0.59
assign ((resid 52 and name HN )) ( (resid 52 and name HD1* )) 4.90 3.10 0.74
assign ((resid 52 and name HD1* )) ( (resid 53 and name HN )) 4.01 2.21 0.60
assign ((resid 46 and name HN )) ( (resid 52 and name HD1* )) 4.52 2.72 0.68
assign ((resid 47 and name HN )) ( (resid 52 and name HD1* )) 4.63 2.83 0.69
assign ((resid 21 and name HN )) ( (resid 22 and name HD1* )) 4.63 2.83 0.69
assign ((resid 22 and name HN )) ( (resid 22 and name HD1* )) 3.50 1.70 0.53
assign ((resid 12 and name HN )) ( (resid 22 and name HD1* )) 5.56 3.76 0.83
assign ((resid 59 and name HN )) ( (resid 65 and name HG2* )) 4.87 3.07 0.73
assign ((resid 22 and name HG2* )) ( (resid 24 and name HN )) 4.54 2.74 0.68
assign ((resid 62 and name HE21 )) ( (resid 65 and name HG2* )) 4.64 2.84 0.70
assign ((resid 57 and name HN )) ( (resid 65 and name HG2* )) 3.64 1.84 0.55
assign ((resid 62 and name HN )) ( (resid 65 and name HG2* )) 5.53 3.73 0.83
assign ((resid 65 and name HN )) ( (resid 65 and name HG2* )) 2.98 1.18 0.45
assign ((resid 62 and name HE22 )) ( (resid 65 and name HG2* )) 4.64 2.84 0.70
assign ((resid 65 and name HG2* )) ( (resid 66 and name HN )) 3.94 2.14 0.59
assign ((resid 64 and name HN )) ( (resid 65 and name HG2* )) 4.63 2.83 0.69
assign ((resid 86 and name HN )) ( (resid 86 and name HG2* )) 3.36 1.56 0.50
assign ((resid 13 and name HN )) ( (resid 84 and name HG1* )) 4.05 2.25 0.61
assign ((resid 13 and name HN )) ( (resid 86 and name HG2* )) 4.42 2.62 0.66
assign ((resid 79 and name HN )) ( (resid 84 and name HG1* )) 4.80 3.00 0.72
assign ((resid 84 and name HG1* )) ( (resid 85 and name HN )) 3.12 1.32 0.47
assign ((resid 84 and name HN )) ( (resid 84 and name HG1* )) 4.00 2.20 0.60
assign ((resid 52 and name HG12 )) ( (resid 53 and name HN )) 3.48 1.68 0.52
assign ((resid 88 and name HN )) ( (resid 88 and name HG11 )) 3.73 1.93 0.56
assign ((resid 48 and name HN )) ( (resid 52 and name HG2* )) 6.29 4.49 0.94
assign ((resid 48 and name HN )) ( (resid 52 and name HG12 )) 6.96 5.16 1.04
assign ((resid 24 and name HD1* )) ( (resid 51 and name HN )) 4.90 3.10 0.74
assign ((resid 43 and name HD22 )) ( (resid 54 and name HG2* )) 3.77 1.97 0.57
assign ((resid 54 and name HG2* )) ( (resid 58 and name HN )) 5.50 3.70 0.83
assign ((resid 46 and name HN )) ( (resid 52 and name HG12 )) 4.20 2.40 0.63
assign ((resid 44 and name HN )) ( (resid 54 and name HG2* )) 3.78 1.98 0.57
assign ((resid 43 and name HD21 )) ( (resid 54 and name HG2* )) 3.77 1.97 0.57
assign ((resid 54 and name HG2* )) ( (resid 56 and name HN )) 3.22 1.42 0.48
assign ((resid 54 and name HG2* )) ( (resid 55 and name HN )) 3.53 1.73 0.53
assign ((resid 24 and name HD1* )) ( (resid 71 and name HN )) 5.01 3.21 0.75
assign ((resid 52 and name HN )) ( (resid 52 and name HG2* )) 2.96 1.16 0.44
assign ((resid 75 and name HN )) ( (resid 88 and name HG11 )) 5.04 3.24 0.76
assign ((resid 8 and name HG1* )) ( (resid 72 and name HN )) 6.04 4.24 0.91
assign ((resid 24 and name HD1* )) ( (resid 72 and name HN )) 6.30 4.50 0.95
assign ((resid 9 and name HG1* )) ( (resid 24 and name HN )) 3.47 1.67 0.52
assign ((resid 53 and name HB1 )) ( (resid 70 and name HN )) 3.56 1.76 0.53
assign ((resid 87 and name HN )) ( (resid 88 and name HG11 )) 4.57 2.77 0.69
assign ((resid 54 and name HN )) ( (resid 54 and name HG11 )) 4.06 2.26 0.61
assign ((resid 9 and name HG1* )) ( (resid 10 and name HN )) 4.31 2.51 0.65
assign ((resid 9 and name HG2* )) ( (resid 10 and name HN )) 4.90 3.10 0.74
assign ((resid 9 and name HG2* )) ( (resid 89 and name HN )) 3.39 1.59 0.51
assign ((resid 77 and name HN )) ( (resid 77 and name HD1* )) 4.12 2.32 0.62
assign ((resid 8 and name HG1* )) ( (resid 74 and name HN )) 5.25 3.45 0.79
assign ((resid 74 and name HN )) ( (resid 88 and name HG11 )) 5.53 3.73 0.83
assign ((resid 11 and name HN )) ( (resid 11 and name HD1* )) 3.41 1.61 0.51
assign ((resid 11 and name HD1* )) ( (resid 21 and name HN )) 5.32 3.52 0.80
assign ((resid 8 and name HG1* )) ( (resid 90 and name HN )) 4.04 2.24 0.61
assign ((resid 77 and name HD1* )) ( (resid 78 and name HN )) 4.09 2.29 0.61
assign ((resid 8 and name HG1* )) ( (resid 92 and name HN )) 5.13 3.33 0.77
assign ((resid 8 and name HG1* )) ( (resid 91 and name HN )) 3.60 1.80 0.54
assign ((resid 8 and name HG1* )) ( (resid 73 and name HN )) 3.21 1.41 0.48
assign ((resid 9 and name HN )) ( (resid 9 and name HG2* )) 2.82 1.02 0.42
assign ((resid 54 and name HG2* )) ( (resid 64 and name HN )) 5.93 4.13 0.89
assign ((resid 64 and name HN )) ( (resid 77 and name HD1* )) 6.63 4.83 0.99
assign ((resid 7 and name HN )) ( (resid 8 and name HG1* )) 3.90 2.10 0.59
assign ((resid 53 and name HB1 )) ( (resid 69 and name HN )) 4.84 3.04 0.73
assign ((resid 54 and name HG2* )) ( (resid 57 and name HN )) 3.98 2.18 0.60
assign ((resid 65 and name HG1* )) ( (resid 68 and name HN )) 4.57 2.77 0.69
assign ((resid 65 and name HN )) ( (resid 65 and name HG1* )) 3.84 2.04 0.58
assign ((resid 65 and name HG1* )) ( (resid 67 and name HN )) 5.16 3.36 0.77
assign ((resid 67 and name HN )) ( (resid 77 and name HD1* )) 5.47 3.67 0.82
assign ((resid 65 and name HG1* )) ( (resid 66 and name HN )) 3.80 2.00 0.57
assign ((resid 14 and name HE21 )) ( (resid 35 and name HG2* )) 3.59 1.79 0.54
assign ((resid 35 and name HG2* )) ( (resid 43 and name HN )) 4.28 2.48 0.64
assign ((resid 35 and name HG2* )) ( (resid 36 and name HN )) 3.56 1.76 0.53
assign ((resid 14 and name HE22 )) ( (resid 35 and name HG2* )) 3.47 1.67 0.52
assign ((resid 35 and name HN )) ( (resid 35 and name HG2* )) 4.04 2.24 0.61
assign ((resid 32 and name HN )) ( (resid 47 and name HG2* )) 5.15 3.35 0.77
assign ((resid 34 and name HN )) ( (resid 44 and name HD1* )) 4.24 2.44 0.64
assign ((resid 107 and name HN )) ( (resid 107 and name HD2* )) 4.96 3.16 0.74
assign ((resid 44 and name HD1* )) ( (resid 45 and name HN )) 3.28 1.48 0.49
assign ((resid 8 and name HG2* )) ( (resid 25 and name HN )) 3.41 1.61 0.51
assign ((resid 33 and name HN )) ( (resid 44 and name HD1* )) 3.41 1.61 0.51
assign ((resid 8 and name HN )) ( (resid 8 and name HG2* )) 3.02 1.22 0.45
assign ((resid 103 and name HN )) ( (resid 103 and name HD1* )) 4.51 2.71 0.68
assign ((resid 44 and name HN )) ( (resid 44 and name HD1* )) 4.72 2.92 0.71
assign ((resid 44 and name HN )) ( (resid 44 and name HD2* )) 5.12 3.32 0.77
assign ((resid 44 and name HD2* )) ( (resid 56 and name HN )) 3.61 1.81 0.54
assign ((resid 47 and name HG2* )) ( (resid 53 and name HN )) 4.59 2.79 0.69
assign ((resid 44 and name HD2* )) ( (resid 55 and name HN )) 4.63 2.83 0.69
assign ((resid 46 and name HN )) ( (resid 47 and name HG2* )) 4.21 2.41 0.63
assign ((resid 102 and name HN )) ( (resid 102 and name HD2* )) 4.97 3.17 0.75
assign ((resid 47 and name HG2* )) ( (resid 48 and name HN )) 4.37 2.57 0.66
assign ((resid 47 and name HN )) ( (resid 47 and name HG2* )) 3.43 1.63 0.51
assign ((resid 31 and name HN )) ( (resid 47 and name HG2* )) 4.44 2.64 0.67
assign ((resid 8 and name HG2* )) ( (resid 73 and name HN )) 4.58 2.78 0.69
assign ((resid 18 and name HG1* )) ( (resid 20 and name HN )) 2.88 1.08 0.43
assign ((resid 18 and name HG1* )) ( (resid 19 and name HN )) 3.24 1.44 0.49
assign ((resid 12 and name HD1* )) ( (resid 21 and name HN )) 4.01 2.21 0.60
assign ((resid 18 and name HN )) ( (resid 18 and name HG1* )) 3.91 2.11 0.59
assign ((resid 12 and name HD1* )) ( (resid 22 and name HN )) 4.09 2.29 0.61
assign ((resid 12 and name HN )) ( (resid 12 and name HD1* )) 3.26 1.46 0.49
assign ((resid 104 and name HN )) ( (resid 104 and name HG1* )) 4.90 3.10 0.74
assign ((resid 104 and name HN )) ( (resid 104 and name HG2* )) 4.90 3.10 0.74
assign ((resid 77 and name HG2* )) ( (resid 86 and name HN )) 4.36 2.56 0.65
assign ((resid 77 and name HG2* )) ( (resid 78 and name HN )) 3.14 1.34 0.47
assign ((resid 107 and name HD1* )) ( (resid 108 and name HN )) 4.97 3.17 0.75
assign ((resid 12 and name HG2* )) ( (resid 85 and name HN )) 4.56 2.76 0.68
assign ((resid 12 and name HG2* )) ( (resid 13 and name HN )) 3.20 1.40 0.48
assign ((resid 35 and name HN )) ( (resid 35 and name HD1* )) 3.94 2.14 0.59
assign ((resid 35 and name HD1* )) ( (resid 45 and name HN )) 4.92 3.12 0.74
assign ((resid 107 and name HN )) ( (resid 107 and name HD1* )) 4.96 3.16 0.74
assign ((resid 35 and name HD1* )) ( (resid 43 and name HN )) 4.68 2.88 0.70
assign ((resid 19 and name HD1* )) ( (resid 36 and name HN )) 4.86 3.06 0.73
assign ((resid 102 and name HN )) ( (resid 102 and name HD1* )) 4.39 2.59 0.66
assign ((resid 63 and name HG1* )) ( (resid 65 and name HN )) 4.81 3.01 0.72
assign ((resid 102 and name HD1* )) ( (resid 103 and name HN )) 4.27 2.47 0.64
assign ((resid 63 and name HG1* )) ( (resid 66 and name HN )) 4.48 2.68 0.67
assign ((resid 61 and name HN )) ( (resid 63 and name HG2* )) 4.50 2.70 0.68
assign ((resid 63 and name HN )) ( (resid 63 and name HG2* )) 2.80 1.00 0.42
assign ((resid 62 and name HN )) ( (resid 63 and name HG2* )) 4.28 2.48 0.64
assign ((resid 12 and name HG2* )) ( (resid 20 and name HN )) 4.29 2.49 0.64
assign ((resid 77 and name HN )) ( (resid 77 and name HG11 )) 4.07 2.27 0.61
assign ((resid 18 and name HN )) ( (resid 18 and name HG2* )) 2.77 0.97 0.42
assign ((resid 21 and name HN )) ( (resid 22 and name HG11 )) 4.45 2.65 0.67
assign ((resid 63 and name HG1* )) ( (resid 64 and name HN )) 3.73 1.93 0.56
assign ((resid 22 and name HN )) ( (resid 22 and name HG11 )) 3.79 1.99 0.57
assign ((resid 17 and name HN )) ( (resid 18 and name HG2* )) 5.34 3.54 0.80
assign ((resid 14 and name HN )) ( (resid 19 and name HD1* )) 3.65 1.85 0.55
assign ((resid 11 and name HG2* )) ( (resid 87 and name HN )) 4.67 2.87 0.70
assign ((resid 11 and name HG2* )) ( (resid 12 and name HN )) 3.24 1.44 0.49
assign ((resid 78 and name HN )) ( (resid 78 and name HG2* )) 3.01 1.21 0.45
assign ((resid 78 and name HG1* )) ( (resid 80 and name HN )) 3.36 1.56 0.50
assign ((resid 78 and name HG1* )) ( (resid 79 and name HN )) 3.06 1.26 0.46
assign ((resid 14 and name HE22 )) ( (resid 84 and name HG2* )) 4.11 2.31 0.62
assign ((resid 14 and name HE21 )) ( (resid 84 and name HG2* )) 3.92 2.12 0.59
assign ((resid 84 and name HG2* )) ( (resid 85 and name HN )) 3.96 2.16 0.59
assign ((resid 82 and name HN )) ( (resid 84 and name HG2* )) 4.96 3.16 0.74
assign ((resid 84 and name HN )) ( (resid 84 and name HG2* )) 3.20 1.40 0.48
assign ((resid 15 and name HN )) ( (resid 84 and name HG2* )) 4.34 2.54 0.65
assign ((resid 18 and name HN )) ( (resid 19 and name HG2* )) 4.70 2.90 0.70
assign ((resid 53 and name HB2 )) ( (resid 54 and name HN )) 4.02 2.22 0.60
assign ((resid 45 and name HB1 )) ( (resid 46 and name HN )) 3.91 2.11 0.59
assign ((resid 12 and name HN )) ( (resid 12 and name HG12 )) 4.19 2.39 0.63
assign ((resid 13 and name HN )) ( (resid 19 and name HG2* )) 6.12 4.32 0.92
assign ((resid 45 and name HB1 )) ( (resid 53 and name HN )) 5.27 3.47 0.79
assign ((resid 33 and name HN )) ( (resid 45 and name HB1 )) 5.00 3.20 0.75
assign ((resid 17 and name HN )) ( (resid 19 and name HG2* )) 4.58 2.78 0.69
assign ((resid 19 and name HN )) ( (resid 19 and name HG2* )) 3.65 1.85 0.55
assign ((resid 53 and name HB2 )) ( (resid 53 and name HE )) 5.28 3.48 0.79
assign ((resid 14 and name HN )) ( (resid 19 and name HG2* )) 3.53 1.73 0.53
assign ((resid 34 and name HG2* )) ( (resid 44 and name HN )) 4.87 3.07 0.73
assign ((resid 10 and name HB* )) ( (resid 87 and name HN )) 5.19 3.39 0.78
assign ((resid 34 and name HG2* )) ( (resid 36 and name HN )) 4.38 2.58 0.66
assign ((resid 34 and name HG2* )) ( (resid 42 and name HN )) 5.77 3.97 0.87
assign ((resid 34 and name HN )) ( (resid 34 and name HG2* )) 3.98 2.18 0.60
assign ((resid 10 and name HB* )) ( (resid 22 and name HN )) 3.72 1.92 0.56
assign ((resid 10 and name HB* )) ( (resid 11 and name HN )) 3.48 1.68 0.52
assign ((resid 10 and name HB* )) ( (resid 24 and name HN )) 4.65 2.85 0.70
assign ((resid 34 and name HG2* )) ( (resid 43 and name HN )) 3.61 1.81 0.54
assign ((resid 10 and name HN )) ( (resid 10 and name HB* )) 3.06 1.26 0.46
assign ((resid 91 and name HN )) ( (resid 91 and name HG2* )) 3.15 1.35 0.47
assign ((resid 91 and name HG2* )) ( (resid 92 and name HN )) 4.01 2.21 0.60
assign ((resid 7 and name HN )) ( (resid 91 and name HG2* )) 5.05 3.25 0.76
assign ((resid 10 and name HB* )) ( (resid 89 and name HN )) 5.52 3.72 0.83
assign ((resid 77 and name HN )) ( (resid 77 and name HB )) 3.67 1.87 0.55
assign ((resid 77 and name HB )) ( (resid 78 and name HN )) 4.58 2.78 0.69
assign ((resid 103 and name HN )) ( (resid 103 and name HG11 )) 4.05 2.25 0.61
assign ((resid 19 and name HG12 )) ( (resid 20 and name HN )) 3.67 1.87 0.55
assign ((resid 19 and name HN )) ( (resid 19 and name HG12 )) 3.54 1.74 0.53
assign ((resid 100 and name HG2* )) ( (resid 101 and name HN )) 4.33 2.53 0.65
assign ((resid 12 and name HN )) ( (resid 19 and name HG12 )) 5.39 3.59 0.81
assign ((resid 4 and name HN )) ( (resid 4 and name HG2* )) 4.06 2.26 0.61
assign ((resid 4 and name HG2* )) ( (resid 5 and name HN )) 4.46 2.66 0.67
assign ((resid 11 and name HN )) ( (resid 11 and name HG11 )) 4.28 2.48 0.64
assign ((resid 11 and name HN )) ( (resid 88 and name HG12 )) 4.64 2.84 0.70
assign ((resid 35 and name HN )) ( (resid 35 and name HG12 )) 4.21 2.41 0.63
assign ((resid 76 and name HG2* )) ( (resid 87 and name HN )) 4.72 2.92 0.71
assign ((resid 35 and name HG12 )) ( (resid 36 and name HN )) 5.40 3.60 0.81
assign ((resid 76 and name HG2* )) ( (resid 86 and name HN )) 5.34 3.54 0.80
assign ((resid 76 and name HN )) ( (resid 76 and name HG2* )) 3.48 1.68 0.52
assign ((resid 76 and name HG2* )) ( (resid 88 and name HN )) 3.22 1.42 0.48
assign ((resid 75 and name HN )) ( (resid 76 and name HG2* )) 4.69 2.89 0.70
assign ((resid 89 and name HN )) ( (resid 89 and name HG1 )) 4.00 2.20 0.60
assign ((resid 89 and name HG1 )) ( (resid 90 and name HN )) 4.44 2.64 0.67
assign ((resid 20 and name HG1 )) ( (resid 22 and name HN )) 4.03 2.23 0.60
assign ((resid 28 and name HN )) ( (resid 28 and name HG1 )) 3.82 2.02 0.57
assign ((resid 54 and name HN )) ( (resid 54 and name HB )) 3.61 1.81 0.54
assign ((resid 28 and name HG1 )) ( (resid 29 and name HN )) 4.71 2.91 0.71
assign ((resid 20 and name HG1 )) ( (resid 21 and name HN )) 3.66 1.86 0.55
assign ((resid 89 and name HN )) ( (resid 89 and name HG2 )) 3.91 2.11 0.59
assign ((resid 12 and name HN )) ( (resid 20 and name HG1 )) 5.32 3.52 0.80
assign ((resid 77 and name HN )) ( (resid 77 and name HG12 )) 4.07 2.27 0.61
assign ((resid 88 and name HN )) ( (resid 89 and name HG2 )) 5.52 3.72 0.83
assign ((resid 51 and name HN )) ( (resid 51 and name HG1 )) 3.68 1.88 0.55
assign ((resid 19 and name HG11 )) ( (resid 20 and name HN )) 3.37 1.57 0.51
assign ((resid 24 and name HB1 )) ( (resid 52 and name HN )) 5.32 3.52 0.80
assign ((resid 19 and name HN )) ( (resid 19 and name HG11 )) 3.69 1.89 0.55
assign ((resid 70 and name HG1 )) ( (resid 76 and name HN )) 5.57 3.77 0.84
assign ((resid 33 and name HN )) ( (resid 44 and name HG )) 5.30 3.50 0.80
assign ((resid 48 and name HN )) ( (resid 51 and name HG1 )) 4.82 3.02 0.72
assign ((resid 38 and name HN )) ( (resid 38 and name HG1 )) 5.01 3.21 0.75
assign ((resid 14 and name HN )) ( (resid 17 and name HG1 )) 4.32 2.52 0.65
assign ((resid 73 and name HB* )) ( (resid 74 and name HN )) 3.72 1.92 0.56
assign ((resid 73 and name HN )) ( (resid 73 and name HB* )) 2.73 0.93 0.41
assign ((resid 73 and name HB* )) ( (resid 75 and name HN )) 5.00 3.20 0.75
assign ((resid 70 and name HN )) ( (resid 70 and name HG2 )) 4.26 2.46 0.64
assign ((resid 44 and name HG )) ( (resid 56 and name HN )) 4.14 2.34 0.62
assign ((resid 55 and name HB1 )) ( (resid 56 and name HN )) 4.12 2.32 0.62
assign ((resid 44 and name HG )) ( (resid 45 and name HN )) 3.82 2.02 0.57
assign ((resid 70 and name HG2 )) ( (resid 71 and name HN )) 5.19 3.39 0.78
assign ((resid 44 and name HN )) ( (resid 44 and name HB2 )) 3.43 1.63 0.51
assign ((resid 17 and name HG1 )) ( (resid 18 and name HN )) 4.46 2.66 0.67
assign ((resid 17 and name HN )) ( (resid 17 and name HG1 )) 3.86 2.06 0.58
assign ((resid 10 and name HN )) ( (resid 24 and name HB1 )) 5.43 3.63 0.81
assign ((resid 28 and name HN )) ( (resid 28 and name HG2 )) 3.82 2.02 0.57
assign ((resid 96 and name HN )) ( (resid 96 and name HG2 )) 4.35 2.55 0.65
assign ((resid 96 and name HN )) ( (resid 96 and name HG1 )) 4.35 2.55 0.65
assign ((resid 24 and name HB1 )) ( (resid 25 and name HN )) 3.23 1.43 0.48
assign ((resid 96 and name HG2 )) ( (resid 97 and name HN )) 5.62 3.82 0.84
assign ((resid 96 and name HG1 )) ( (resid 97 and name HN )) 5.62 3.82 0.84
assign ((resid 25 and name HG2* )) ( (resid 27 and name HN )) 4.73 2.93 0.71
assign ((resid 8 and name HN )) ( (resid 25 and name HG2* )) 3.64 1.84 0.55
assign ((resid 25 and name HG2* )) ( (resid 26 and name HN )) 3.32 1.52 0.50
assign ((resid 40 and name HB* )) ( (resid 58 and name HD21 )) 4.10 2.30 0.62
assign ((resid 95 and name HN )) ( (resid 96 and name HG2 )) 5.54 3.74 0.83
assign ((resid 95 and name HN )) ( (resid 96 and name HG1 )) 5.54 3.74 0.83
assign ((resid 40 and name HB* )) ( (resid 58 and name HD22 )) 4.10 2.30 0.62
assign ((resid 40 and name HB* )) ( (resid 41 and name HN )) 3.69 1.89 0.55
assign ((resid 40 and name HB* )) ( (resid 42 and name HN )) 5.74 3.94 0.86
assign ((resid 20 and name HG2 )) ( (resid 22 and name HN )) 5.67 3.87 0.85
assign ((resid 93 and name HN )) ( (resid 93 and name HG2 )) 4.10 2.30 0.62
assign ((resid 93 and name HN )) ( (resid 93 and name HG1 )) 4.10 2.30 0.62
assign ((resid 17 and name HN )) ( (resid 17 and name HG2 )) 3.82 2.02 0.57
assign ((resid 36 and name HN )) ( (resid 36 and name HG1 )) 4.08 2.28 0.61
assign ((resid 36 and name HG1 )) ( (resid 37 and name HN )) 5.02 3.22 0.75
assign ((resid 70 and name HD2 )) ( (resid 76 and name HN )) 4.87 3.07 0.73
assign ((resid 54 and name HN )) ( (resid 54 and name HG12 )) 4.06 2.26 0.61
assign ((resid 103 and name HN )) ( (resid 103 and name HG12 )) 4.05 2.25 0.61
assign ((resid 11 and name HG12 )) ( (resid 89 and name HN )) 4.66 2.86 0.70
assign ((resid 11 and name HN )) ( (resid 11 and name HG12 )) 3.53 1.73 0.53
assign ((resid 15 and name HN )) ( (resid 17 and name HG2 )) 5.52 3.72 0.83
assign ((resid 83 and name HN )) ( (resid 83 and name HG2 )) 4.00 2.20 0.60
assign ((resid 83 and name HN )) ( (resid 83 and name HG1 )) 4.00 2.20 0.60
assign ((resid 20 and name HB2 )) ( (resid 21 and name HN )) 4.13 2.33 0.62
assign ((resid 70 and name HD2 )) ( (resid 75 and name HN )) 5.30 3.50 0.80
assign ((resid 66 and name HN )) ( (resid 66 and name HG1 )) 4.43 2.63 0.66
assign ((resid 72 and name HN )) ( (resid 72 and name HG2 )) 3.91 2.11 0.59
assign ((resid 72 and name HN )) ( (resid 72 and name HG1 )) 3.91 2.11 0.59
assign ((resid 46 and name HB1 )) ( (resid 47 and name HN )) 4.81 3.01 0.72
assign ((resid 46 and name HN )) ( (resid 46 and name HB1 )) 3.73 1.93 0.56
assign ((resid 45 and name HN )) ( (resid 45 and name HE* )) 5.09 3.29 0.76
assign ((resid 45 and name HE* )) ( (resid 53 and name HN )) 4.56 2.76 0.68
assign ((resid 81 and name HB2 )) ( (resid 82 and name HN )) 3.83 2.03 0.57
assign ((resid 12 and name HN )) ( (resid 12 and name HG11 )) 3.67 1.87 0.55
assign ((resid 79 and name HN )) ( (resid 84 and name HB )) 4.39 2.59 0.66
assign ((resid 84 and name HN )) ( (resid 84 and name HB )) 3.14 1.34 0.47
assign ((resid 12 and name HG11 )) ( (resid 13 and name HN )) 4.70 2.90 0.70
assign ((resid 84 and name HB )) ( (resid 85 and name HN )) 4.32 2.52 0.65
assign ((resid 36 and name HN )) ( (resid 36 and name HG2 )) 4.08 2.28 0.61
assign ((resid 70 and name HB2 )) ( (resid 71 and name HN )) 4.69 2.89 0.70
assign ((resid 48 and name HN )) ( (resid 51 and name HG2 )) 5.18 3.38 0.78
assign ((resid 48 and name HN )) ( (resid 52 and name HB )) 5.76 3.96 0.86
assign ((resid 36 and name HG2 )) ( (resid 37 and name HN )) 5.02 3.22 0.75
assign ((resid 107 and name HB2 )) ( (resid 108 and name HN )) 4.71 2.91 0.71
assign ((resid 107 and name HB1 )) ( (resid 108 and name HN )) 4.71 2.91 0.71
assign ((resid 28 and name HB1 )) ( (resid 29 and name HN )) 4.08 2.28 0.61
assign ((resid 11 and name HN )) ( (resid 12 and name HG11 )) 4.81 3.01 0.72
assign ((resid 14 and name HB2 )) ( (resid 15 and name HN )) 4.30 2.50 0.65
assign ((resid 102 and name HG )) ( (resid 103 and name HN )) 5.52 3.72 0.83
assign ((resid 14 and name HN )) ( (resid 14 and name HB2 )) 3.72 1.92 0.56
assign ((resid 14 and name HB2 )) ( (resid 14 and name HE21 )) 4.37 2.57 0.66
assign ((resid 89 and name HB1 )) ( (resid 90 and name HN )) 3.83 2.03 0.57
assign ((resid 102 and name HN )) ( (resid 102 and name HG )) 4.23 2.43 0.63
assign ((resid 14 and name HB2 )) ( (resid 14 and name HE22 )) 4.65 2.85 0.70
assign ((resid 51 and name HN )) ( (resid 51 and name HG2 )) 3.60 1.80 0.54
assign ((resid 8 and name HN )) ( (resid 24 and name HB2 )) 4.88 3.08 0.73
assign ((resid 24 and name HN )) ( (resid 24 and name HB2 )) 3.46 1.66 0.52
assign ((resid 24 and name HB2 )) ( (resid 25 and name HN )) 3.43 1.63 0.51
assign ((resid 35 and name HN )) ( (resid 35 and name HG11 )) 3.70 1.90 0.56
assign ((resid 38 and name HN )) ( (resid 41 and name HB2 )) 3.69 1.89 0.55
assign ((resid 38 and name HB1 )) ( (resid 39 and name HN )) 4.85 3.05 0.73
assign ((resid 96 and name HN )) ( (resid 96 and name HD2 )) 5.78 3.98 0.87
assign ((resid 96 and name HN )) ( (resid 96 and name HD1 )) 5.78 3.98 0.87
assign ((resid 37 and name HN )) ( (resid 41 and name HB2 )) 4.15 2.35 0.62
assign ((resid 28 and name HB2 )) ( (resid 29 and name HN )) 4.08 2.28 0.61
assign ((resid 41 and name HN )) ( (resid 41 and name HB2 )) 3.32 1.52 0.50
assign ((resid 41 and name HB2 )) ( (resid 42 and name HN )) 4.41 2.61 0.66
assign ((resid 93 and name HD2 )) ( (resid 94 and name HN )) 5.42 3.62 0.81
assign ((resid 93 and name HD1 )) ( (resid 94 and name HN )) 5.42 3.62 0.81
assign ((resid 24 and name HN )) ( (resid 24 and name HG )) 3.46 1.66 0.52
assign ((resid 64 and name HN )) ( (resid 65 and name HB )) 5.51 3.71 0.83
assign ((resid 80 and name HN )) ( (resid 80 and name HB1 )) 3.59 1.79 0.54
assign ((resid 65 and name HN )) ( (resid 65 and name HB )) 3.11 1.31 0.47
assign ((resid 10 and name HN )) ( (resid 24 and name HG )) 3.66 1.86 0.55
assign ((resid 63 and name HN )) ( (resid 65 and name HB )) 6.57 4.77 0.99
assign ((resid 65 and name HB )) ( (resid 66 and name HN )) 3.02 1.22 0.45
assign ((resid 65 and name HB )) ( (resid 67 and name HN )) 4.99 3.19 0.75
assign ((resid 15 and name HN )) ( (resid 83 and name HD1 )) 4.87 3.07 0.73
assign ((resid 80 and name HB1 )) ( (resid 83 and name HN )) 5.64 3.84 0.85
assign ((resid 22 and name HN )) ( (resid 22 and name HB )) 3.21 1.41 0.48
assign ((resid 93 and name HB2 )) ( (resid 94 and name HN )) 4.23 2.43 0.63
assign ((resid 93 and name HN )) ( (resid 93 and name HB2 )) 3.63 1.83 0.54
assign ((resid 96 and name HB1 )) ( (resid 97 and name HN )) 4.00 2.20 0.60
assign ((resid 46 and name HN )) ( (resid 46 and name HB2 )) 3.73 1.93 0.56
assign ((resid 46 and name HB2 )) ( (resid 47 and name HN )) 4.81 3.01 0.72
assign ((resid 47 and name HN )) ( (resid 52 and name HG11 )) 5.05 3.25 0.76
assign ((resid 55 and name HB2 )) ( (resid 56 and name HN )) 4.12 2.32 0.62
assign ((resid 51 and name HB2 )) ( (resid 51 and name HE )) 4.92 3.12 0.74
assign ((resid 51 and name HB1 )) ( (resid 51 and name HE )) 5.34 3.54 0.80
assign ((resid 51 and name HN )) ( (resid 51 and name HB1 )) 3.48 1.68 0.52
assign ((resid 51 and name HB2 )) ( (resid 52 and name HN )) 3.42 1.62 0.51
assign ((resid 51 and name HB2 )) ( (resid 70 and name HN )) 4.47 2.67 0.67
assign ((resid 17 and name HB1 )) ( (resid 18 and name HN )) 4.20 2.40 0.63
assign ((resid 17 and name HN )) ( (resid 17 and name HB1 )) 3.45 1.65 0.52
assign ((resid 48 and name HN )) ( (resid 51 and name HB2 )) 5.66 3.86 0.85
assign ((resid 48 and name HN )) ( (resid 52 and name HG11 )) 6.04 4.24 0.91
assign ((resid 32 and name HB2 )) ( (resid 33 and name HN )) 4.18 2.38 0.63
assign ((resid 32 and name HN )) ( (resid 32 and name HB2 )) 3.30 1.50 0.50
assign ((resid 36 and name HB1 )) ( (resid 37 and name HN )) 4.15 2.35 0.62
assign ((resid 52 and name HG11 )) ( (resid 53 and name HN )) 3.54 1.74 0.53
assign ((resid 72 and name HB2 )) ( (resid 75 and name HN )) 5.68 3.88 0.85
assign ((resid 72 and name HB1 )) ( (resid 75 and name HN )) 5.68 3.88 0.85
assign ((resid 9 and name HB )) ( (resid 24 and name HN )) 4.54 2.74 0.68
assign ((resid 9 and name HB )) ( (resid 10 and name HN )) 3.62 1.82 0.54
assign ((resid 80 and name HN )) ( (resid 80 and name HB2 )) 3.35 1.55 0.50
assign ((resid 15 and name HN )) ( (resid 83 and name HD2 )) 4.87 3.07 0.73
assign ((resid 36 and name HN )) ( (resid 36 and name HB1 )) 3.71 1.91 0.56
assign ((resid 96 and name HB2 )) ( (resid 97 and name HN )) 4.00 2.20 0.60
assign ((resid 35 and name HB )) ( (resid 43 and name HN )) 3.93 2.13 0.59
assign ((resid 35 and name HN )) ( (resid 35 and name HB )) 3.46 1.66 0.52
assign ((resid 86 and name HN )) ( (resid 86 and name HB )) 3.55 1.75 0.53
assign ((resid 93 and name HB1 )) ( (resid 94 and name HN )) 4.23 2.43 0.63
assign ((resid 77 and name HN )) ( (resid 86 and name HB )) 3.55 1.75 0.53
assign ((resid 93 and name HN )) ( (resid 93 and name HB1 )) 3.63 1.83 0.54
assign ((resid 103 and name HB )) ( (resid 104 and name HN )) 5.07 3.27 0.76
assign ((resid 103 and name HN )) ( (resid 103 and name HB )) 3.06 1.26 0.46
assign ((resid 105 and name HB1 )) ( (resid 106 and name HN )) 4.58 2.78 0.69
assign ((resid 87 and name HB1 )) ( (resid 88 and name HN )) 4.32 2.52 0.65
assign ((resid 89 and name HB2 )) ( (resid 90 and name HN )) 3.83 2.03 0.57
assign ((resid 8 and name HB )) ( (resid 89 and name HN )) 4.16 2.36 0.62
assign ((resid 17 and name HB2 )) ( (resid 18 and name HN )) 3.48 1.68 0.52
assign ((resid 21 and name HB2 )) ( (resid 22 and name HN )) 4.38 2.58 0.66
assign ((resid 8 and name HB )) ( (resid 91 and name HN )) 4.95 3.15 0.74
assign ((resid 8 and name HB )) ( (resid 9 and name HN )) 3.13 1.33 0.47
assign ((resid 50 and name HB1 )) ( (resid 51 and name HN )) 4.74 2.94 0.71
assign ((resid 25 and name HN )) ( (resid 50 and name HB1 )) 4.55 2.75 0.68
assign ((resid 47 and name HB )) ( (resid 48 and name HN )) 4.53 2.73 0.68
assign ((resid 16 and name HN )) ( (resid 83 and name HB1 )) 5.12 3.32 0.77
assign ((resid 31 and name HN )) ( (resid 47 and name HB )) 3.83 2.03 0.57
assign ((resid 47 and name HN )) ( (resid 47 and name HB )) 3.41 1.61 0.51
assign ((resid 18 and name HB )) ( (resid 20 and name HN )) 5.17 3.37 0.78
assign ((resid 15 and name HN )) ( (resid 83 and name HB1 )) 3.46 1.66 0.52
assign ((resid 66 and name HN )) ( (resid 66 and name HB2 )) 2.87 1.07 0.43
assign ((resid 66 and name HB2 )) ( (resid 67 and name HN )) 3.43 1.63 0.51
assign ((resid 87 and name HN )) ( (resid 87 and name HG1 )) 4.43 2.63 0.66
assign ((resid 62 and name HG2 )) ( (resid 63 and name HN )) 4.97 3.17 0.75
assign ((resid 65 and name HN )) ( (resid 66 and name HB2 )) 4.63 2.83 0.69
assign ((resid 18 and name HN )) ( (resid 18 and name HB )) 2.83 1.03 0.42
assign ((resid 18 and name HB )) ( (resid 19 and name HN )) 4.49 2.69 0.67
assign ((resid 78 and name HB )) ( (resid 79 and name HN )) 4.41 2.61 0.66
assign ((resid 78 and name HN )) ( (resid 78 and name HB )) 3.28 1.48 0.49
assign ((resid 7 and name HN )) ( (resid 7 and name HB2 )) 3.10 1.30 0.47
assign ((resid 98 and name HB1 )) ( (resid 99 and name HN )) 4.46 2.66 0.67
assign ((resid 62 and name HN )) ( (resid 62 and name HG2 )) 3.86 2.06 0.58
assign ((resid 7 and name HB2 )) ( (resid 91 and name HN )) 4.31 2.51 0.65
assign ((resid 92 and name HB1 )) ( (resid 93 and name HN )) 3.85 2.05 0.58
assign ((resid 21 and name HN )) ( (resid 21 and name HG1 )) 4.10 2.30 0.62
assign ((resid 12 and name HB )) ( (resid 20 and name HN )) 3.18 1.38 0.48
assign ((resid 12 and name HN )) ( (resid 12 and name HB )) 3.29 1.49 0.49
assign ((resid 36 and name HB2 )) ( (resid 37 and name HN )) 4.41 2.61 0.66
assign ((resid 41 and name HN )) ( (resid 41 and name HG1 )) 4.04 2.24 0.61
assign ((resid 36 and name HN )) ( (resid 36 and name HB2 )) 3.56 1.76 0.53
assign ((resid 12 and name HB )) ( (resid 13 and name HN )) 4.53 2.73 0.68
assign ((resid 62 and name HN )) ( (resid 63 and name HB )) 5.25 3.45 0.79
assign ((resid 56 and name HB2 )) ( (resid 57 and name HN )) 4.43 2.63 0.66
assign ((resid 63 and name HN )) ( (resid 63 and name HB )) 2.94 1.14 0.44
assign ((resid 63 and name HB )) ( (resid 64 and name HN )) 3.66 1.86 0.55
assign ((resid 63 and name HB )) ( (resid 66 and name HN )) 5.65 3.85 0.85
assign ((resid 7 and name HB1 )) ( (resid 8 and name HN )) 3.76 1.96 0.56
assign ((resid 74 and name HN )) ( (resid 88 and name HB )) 3.90 2.10 0.59
assign ((resid 88 and name HN )) ( (resid 88 and name HB )) 3.07 1.27 0.46
assign ((resid 88 and name HB )) ( (resid 89 and name HN )) 4.52 2.72 0.68
assign ((resid 67 and name HB1 )) ( (resid 68 and name HN )) 4.72 2.92 0.71
assign ((resid 75 and name HN )) ( (resid 88 and name HB )) 3.52 1.72 0.53
assign ((resid 60 and name HG1 )) ( (resid 61 and name HN )) 3.91 2.11 0.59
assign ((resid 61 and name HN )) ( (resid 81 and name HG1 )) 4.27 2.47 0.64
assign ((resid 23 and name HB2 )) ( (resid 25 and name HN )) 4.78 2.98 0.72
assign ((resid 11 and name HB )) ( (resid 87 and name HN )) 3.85 2.05 0.58
assign ((resid 87 and name HN )) ( (resid 87 and name HG2 )) 4.43 2.63 0.66
assign ((resid 7 and name HB1 )) ( (resid 91 and name HN )) 4.49 2.69 0.67
assign ((resid 11 and name HN )) ( (resid 11 and name HB )) 3.18 1.38 0.48
assign ((resid 21 and name HN )) ( (resid 21 and name HG2 )) 4.10 2.30 0.62
assign ((resid 70 and name HB1 )) ( (resid 71 and name HN )) 4.28 2.48 0.64
assign ((resid 81 and name HG2 )) ( (resid 82 and name HN )) 4.23 2.43 0.63
assign ((resid 70 and name HB1 )) ( (resid 72 and name HN )) 4.77 2.97 0.72
assign ((resid 70 and name HD1 )) ( (resid 72 and name HN )) 5.39 3.59 0.81
assign ((resid 80 and name HN )) ( (resid 81 and name HG2 )) 4.33 2.53 0.65
assign ((resid 70 and name HN )) ( (resid 70 and name HD1 )) 4.88 3.08 0.73
assign ((resid 26 and name HN )) ( (resid 50 and name HB2 )) 5.49 3.69 0.82
assign ((resid 92 and name HB2 )) ( (resid 93 and name HN )) 3.85 2.05 0.58
assign ((resid 50 and name HB2 )) ( (resid 51 and name HN )) 4.84 3.04 0.73
assign ((resid 56 and name HG1 )) ( (resid 57 and name HN )) 4.15 2.35 0.62
assign ((resid 30 and name HD21 )) ( (resid 46 and name HG1 )) 4.76 2.96 0.71
assign ((resid 14 and name HG2 )) ( (resid 15 and name HN )) 4.02 2.22 0.60
assign ((resid 108 and name HN )) ( (resid 108 and name HG1 )) 4.74 2.94 0.71
assign ((resid 14 and name HN )) ( (resid 14 and name HG2 )) 4.85 3.05 0.73
assign ((resid 44 and name HN )) ( (resid 45 and name HG2 )) 5.52 3.72 0.83
assign ((resid 30 and name HD22 )) ( (resid 46 and name HG1 )) 4.51 2.71 0.68
assign ((resid 14 and name HG2 )) ( (resid 15 and name HD22 )) 4.62 2.82 0.69
assign ((resid 14 and name HG2 )) ( (resid 15 and name HD21 )) 4.55 2.75 0.68
assign ((resid 31 and name HB2 )) ( (resid 32 and name HN )) 4.55 2.75 0.68
assign ((resid 31 and name HB1 )) ( (resid 32 and name HN )) 5.18 3.38 0.78
assign ((resid 45 and name HN )) ( (resid 45 and name HG2 )) 3.68 1.88 0.55
assign ((resid 35 and name HN )) ( (resid 45 and name HG2 )) 4.92 3.12 0.74
assign ((resid 32 and name HB1 )) ( (resid 33 and name HN )) 3.55 1.75 0.53
assign ((resid 31 and name HB1 )) ( (resid 47 and name HN )) 4.44 2.64 0.67
assign ((resid 46 and name HG1 )) ( (resid 47 and name HN )) 4.67 2.87 0.70
assign ((resid 32 and name HN )) ( (resid 32 and name HG1 )) 3.26 1.46 0.49
assign ((resid 7 and name HG2 )) ( (resid 8 and name HN )) 4.22 2.42 0.63
assign ((resid 108 and name HN )) ( (resid 108 and name HG2 )) 4.74 2.94 0.71
assign ((resid 60 and name HG2 )) ( (resid 61 and name HN )) 3.91 2.11 0.59
assign ((resid 7 and name HN )) ( (resid 7 and name HG1 )) 3.50 1.70 0.53
assign ((resid 44 and name HB1 )) ( (resid 45 and name HN )) 4.37 2.57 0.66
assign ((resid 44 and name HN )) ( (resid 44 and name HB1 )) 3.43 1.63 0.51
assign ((resid 44 and name HB1 )) ( (resid 55 and name HN )) 4.83 3.03 0.72
assign ((resid 44 and name HB1 )) ( (resid 56 and name HN )) 3.49 1.69 0.52
assign ((resid 105 and name HB2 )) ( (resid 106 and name HN )) 4.58 2.78 0.69
assign ((resid 14 and name HN )) ( (resid 14 and name HB1 )) 3.52 1.72 0.53
assign ((resid 14 and name HG1 )) ( (resid 14 and name HE22 )) 3.51 1.71 0.53
assign ((resid 14 and name HG1 )) ( (resid 14 and name HE21 )) 3.33 1.53 0.50
assign ((resid 14 and name HB1 )) ( (resid 17 and name HN )) 4.83 3.03 0.72
assign ((resid 14 and name HG1 )) ( (resid 85 and name HN )) 5.44 3.64 0.82
assign ((resid 14 and name HB1 )) ( (resid 15 and name HD21 )) 6.51 4.71 0.98
assign ((resid 14 and name HG1 )) ( (resid 15 and name HD21 )) 7.00 5.20 1.05
assign ((resid 14 and name HG1 )) ( (resid 16 and name HN )) 5.00 3.20 0.75
assign ((resid 14 and name HG1 )) ( (resid 15 and name HD22 )) 6.41 4.61 0.96
assign ((resid 15 and name HD22 )) ( (resid 83 and name HB2 )) 6.34 4.54 0.95
assign ((resid 98 and name HB2 )) ( (resid 99 and name HN )) 4.46 2.66 0.67
assign ((resid 14 and name HG1 )) ( (resid 15 and name HN )) 3.26 1.46 0.49
assign ((resid 46 and name HG2 )) ( (resid 47 and name HN )) 4.67 2.87 0.70
assign ((resid 30 and name HD21 )) ( (resid 46 and name HG2 )) 4.76 2.96 0.71
assign ((resid 30 and name HD22 )) ( (resid 46 and name HG2 )) 4.51 2.71 0.68
assign ((resid 83 and name HB2 )) ( (resid 84 and name HN )) 4.68 2.88 0.70
assign ((resid 31 and name HG1 )) ( (resid 32 and name HN )) 4.24 2.44 0.64
assign ((resid 43 and name HB1 )) ( (resid 44 and name HN )) 4.29 2.49 0.64
assign ((resid 43 and name HN )) ( (resid 43 and name HB2 )) 3.73 1.93 0.56
assign ((resid 35 and name HN )) ( (resid 43 and name HB2 )) 4.93 3.13 0.74
assign ((resid 35 and name HN )) ( (resid 43 and name HB1 )) 5.23 3.43 0.78
assign ((resid 31 and name HN )) ( (resid 48 and name HB2 )) 5.75 3.95 0.86
assign ((resid 30 and name HD21 )) ( (resid 48 and name HB2 )) 4.24 2.44 0.64
assign ((resid 30 and name HD22 )) ( (resid 48 and name HB2 )) 4.16 2.36 0.62
assign ((resid 60 and name HB2 )) ( (resid 61 and name HN )) 4.32 2.52 0.65
assign ((resid 48 and name HB2 )) ( (resid 49 and name HN )) 5.07 3.27 0.76
assign ((resid 67 and name HB2 )) ( (resid 68 and name HN )) 4.24 2.44 0.64
assign ((resid 67 and name HN )) ( (resid 67 and name HB2 )) 3.65 1.85 0.55
assign ((resid 79 and name HB2 )) ( (resid 84 and name HN )) 4.22 2.42 0.63
assign ((resid 79 and name HB1 )) ( (resid 84 and name HN )) 3.98 2.18 0.60
assign ((resid 50 and name HG1 )) ( (resid 51 and name HN )) 4.88 3.08 0.73
assign ((resid 27 and name HN )) ( (resid 50 and name HG1 )) 4.85 3.05 0.73
assign ((resid 79 and name HB2 )) ( (resid 80 and name HN )) 5.20 3.40 0.78
assign ((resid 79 and name HB1 )) ( (resid 80 and name HN )) 5.40 3.60 0.81
assign ((resid 26 and name HN )) ( (resid 50 and name HG1 )) 4.40 2.60 0.66
assign ((resid 79 and name HN )) ( (resid 79 and name HB2 )) 3.65 1.85 0.55
assign ((resid 75 and name HN )) ( (resid 75 and name HB1 )) 3.61 1.81 0.54
assign ((resid 75 and name HB1 )) ( (resid 76 and name HN )) 4.23 2.43 0.63
assign ((resid 97 and name HN )) ( (resid 97 and name HB1 )) 3.62 1.82 0.54
assign ((resid 30 and name HD21 )) ( (resid 48 and name HB1 )) 4.29 2.49 0.64
assign ((resid 48 and name HB1 )) ( (resid 51 and name HE )) 5.23 3.43 0.78
assign ((resid 41 and name HN )) ( (resid 41 and name HG2 )) 4.04 2.24 0.61
assign ((resid 30 and name HD22 )) ( (resid 32 and name HG2 )) 4.35 2.55 0.65
assign ((resid 32 and name HG2 )) ( (resid 33 and name HN )) 4.61 2.81 0.69
assign ((resid 32 and name HN )) ( (resid 32 and name HG2 )) 4.35 2.55 0.65
assign ((resid 32 and name HG2 )) ( (resid 47 and name HN )) 4.59 2.79 0.69
assign ((resid 31 and name HN )) ( (resid 32 and name HG2 )) 5.16 3.36 0.77
assign ((resid 6 and name HB1 )) ( (resid 7 and name HN )) 4.35 2.55 0.65
assign ((resid 101 and name HB1 )) ( (resid 102 and name HN )) 4.51 2.71 0.68
assign ((resid 94 and name HB1 )) ( (resid 95 and name HN )) 4.27 2.47 0.64
assign ((resid 99 and name HB1 )) ( (resid 100 and name HN )) 4.57 2.77 0.69
assign ((resid 6 and name HB2 )) ( (resid 7 and name HN )) 4.35 2.55 0.65
assign ((resid 67 and name HN )) ( (resid 67 and name HG2 )) 3.46 1.66 0.52
assign ((resid 30 and name HB2 )) ( (resid 31 and name HN )) 5.06 3.26 0.76
assign ((resid 30 and name HB1 )) ( (resid 31 and name HN )) 5.06 3.26 0.76
assign ((resid 61 and name HB1 )) ( (resid 63 and name HN )) 4.52 2.72 0.68
assign ((resid 27 and name HN )) ( (resid 50 and name HG2 )) 3.87 2.07 0.58
assign ((resid 26 and name HN )) ( (resid 50 and name HG2 )) 3.97 2.17 0.60
assign ((resid 30 and name HN )) ( (resid 30 and name HB2 )) 3.61 1.81 0.54
assign ((resid 30 and name HN )) ( (resid 30 and name HB1 )) 3.61 1.81 0.54
assign ((resid 42 and name HB2 )) ( (resid 43 and name HN )) 3.56 1.76 0.53
assign ((resid 101 and name HB2 )) ( (resid 102 and name HN )) 4.51 2.71 0.68
assign ((resid 82 and name HN )) ( (resid 82 and name HB1 )) 3.62 1.82 0.54
assign ((resid 44 and name HN )) ( (resid 57 and name HB1 )) 4.20 2.40 0.63
assign ((resid 57 and name HB1 )) ( (resid 59 and name HN )) 4.61 2.81 0.69
assign ((resid 94 and name HB2 )) ( (resid 95 and name HN )) 4.27 2.47 0.64
assign ((resid 43 and name HD21 )) ( (resid 57 and name HB1 )) 4.23 2.43 0.63
assign ((resid 43 and name HD22 )) ( (resid 57 and name HB1 )) 4.23 2.43 0.63
assign ((resid 15 and name HB1 )) ( (resid 17 and name HN )) 4.64 2.84 0.70
assign ((resid 15 and name HB1 )) ( (resid 15 and name HD22 )) 4.04 2.24 0.61
assign ((resid 15 and name HB1 )) ( (resid 16 and name HN )) 4.66 2.86 0.70
assign ((resid 14 and name HE22 )) ( (resid 82 and name HB1 )) 6.08 4.28 0.91
assign ((resid 99 and name HB2 )) ( (resid 100 and name HN )) 4.57 2.77 0.69
assign ((resid 97 and name HN )) ( (resid 97 and name HB2 )) 3.62 1.82 0.54
assign ((resid 106 and name HB2 )) ( (resid 107 and name HN )) 4.85 3.05 0.73
assign ((resid 106 and name HB1 )) ( (resid 107 and name HN )) 4.85 3.05 0.73
assign ((resid 3 and name HB1 )) ( (resid 4 and name HN )) 5.01 3.21 0.75
assign ((resid 61 and name HB2 )) ( (resid 63 and name HN )) 4.52 2.72 0.68
assign ((resid 59 and name HB1 )) ( (resid 62 and name HN )) 4.81 3.01 0.72
assign ((resid 20 and name HD2 )) ( (resid 21 and name HN )) 4.69 2.89 0.70
assign ((resid 3 and name HB2 )) ( (resid 4 and name HN )) 5.01 3.21 0.75
assign ((resid 85 and name HB2 )) ( (resid 86 and name HN )) 4.63 2.83 0.69
assign ((resid 85 and name HN )) ( (resid 85 and name HB2 )) 3.65 1.85 0.55
assign ((resid 13 and name HN )) ( (resid 85 and name HB1 )) 4.40 2.60 0.66
assign ((resid 69 and name HB1 )) ( (resid 70 and name HN )) 4.39 2.59 0.66
assign ((resid 85 and name HB1 )) ( (resid 86 and name HN )) 4.39 2.59 0.66
assign ((resid 33 and name HB2 )) ( (resid 34 and name HN )) 3.34 1.54 0.50
assign ((resid 69 and name HB2 )) ( (resid 70 and name HN )) 4.39 2.59 0.66
assign ((resid 75 and name HN )) ( (resid 75 and name HB2 )) 3.61 1.81 0.54
assign ((resid 75 and name HB2 )) ( (resid 76 and name HN )) 4.23 2.43 0.63
assign ((resid 15 and name HB2 )) ( (resid 17 and name HN )) 4.41 2.61 0.66
assign ((resid 15 and name HB2 )) ( (resid 15 and name HD22 )) 3.67 1.87 0.55
assign ((resid 15 and name HB2 )) ( (resid 16 and name HN )) 4.46 2.66 0.67
assign ((resid 27 and name HB1 )) ( (resid 28 and name HN )) 4.69 2.89 0.70
assign ((resid 27 and name HN )) ( (resid 27 and name HB1 )) 3.24 1.44 0.49
assign ((resid 63 and name HA )) ( (resid 66 and name HN )) 3.93 2.13 0.59
assign ((resid 67 and name HG1 )) ( (resid 78 and name HN )) 4.76 2.96 0.71
assign ((resid 67 and name HN )) ( (resid 67 and name HG1 )) 3.67 1.87 0.55
assign ((resid 13 and name HB1 )) ( (resid 14 and name HN )) 4.37 2.57 0.66
assign ((resid 14 and name HE22 )) ( (resid 37 and name HA1 )) 4.25 2.45 0.64
assign ((resid 14 and name HE21 )) ( (resid 37 and name HA1 )) 4.23 2.43 0.63
assign ((resid 37 and name HA1 )) ( (resid 38 and name HN )) 3.24 1.44 0.49
assign ((resid 65 and name HA )) ( (resid 68 and name HN )) 4.31 2.51 0.65
assign ((resid 37 and name HA1 )) ( (resid 41 and name HN )) 5.26 3.46 0.79
assign ((resid 27 and name HB2 )) ( (resid 28 and name HN )) 4.69 2.89 0.70
assign ((resid 27 and name HN )) ( (resid 27 and name HB2 )) 3.24 1.44 0.49
assign ((resid 54 and name HN )) ( (resid 65 and name HA )) 4.63 2.83 0.69
assign ((resid 60 and name HD2 )) ( (resid 61 and name HN )) 3.76 1.96 0.56
assign ((resid 60 and name HD2 )) ( (resid 62 and name HN )) 4.48 2.68 0.67
assign ((resid 53 and name HE )) ( (resid 55 and name HA )) 4.37 2.57 0.66
assign ((resid 59 and name HB2 )) ( (resid 62 and name HN )) 4.81 3.01 0.72
assign ((resid 68 and name HA1 )) ( (resid 69 and name HN )) 3.27 1.47 0.49
assign ((resid 57 and name HB2 )) ( (resid 58 and name HN )) 3.45 1.65 0.52
assign ((resid 43 and name HD22 )) ( (resid 57 and name HB2 )) 4.53 2.73 0.68
assign ((resid 44 and name HN )) ( (resid 57 and name HB2 )) 4.93 3.13 0.74
assign ((resid 57 and name HB2 )) ( (resid 59 and name HN )) 4.43 2.63 0.66
assign ((resid 73 and name HA )) ( (resid 75 and name HN )) 4.02 2.22 0.60
assign ((resid 73 and name HA )) ( (resid 89 and name HN )) 4.99 3.19 0.75
assign ((resid 73 and name HA )) ( (resid 88 and name HN )) 5.35 3.55 0.80
assign ((resid 73 and name HA )) ( (resid 90 and name HN )) 5.18 3.38 0.78
assign ((resid 62 and name HA )) ( (resid 62 and name HE21 )) 4.39 2.59 0.66
assign ((resid 62 and name HA )) ( (resid 62 and name HE22 )) 4.39 2.59 0.66
assign ((resid 62 and name HA )) ( (resid 65 and name HN )) 4.30 2.50 0.65
assign ((resid 97 and name HN )) ( (resid 98 and name HD2 )) 5.10 3.30 0.77
assign ((resid 29 and name HA1 )) ( (resid 30 and name HN )) 3.32 1.52 0.50
assign ((resid 39 and name HA1 )) ( (resid 41 and name HN )) 4.86 3.06 0.73
assign ((resid 64 and name HA2 )) ( (resid 67 and name HN )) 4.51 2.71 0.68
assign ((resid 71 and name HB1 )) ( (resid 72 and name HN )) 5.20 3.40 0.78
assign ((resid 52 and name HN )) ( (resid 71 and name HB1 )) 4.74 2.94 0.71
assign ((resid 90 and name HN )) ( (resid 90 and name HB1 )) 3.16 1.36 0.47
assign ((resid 90 and name HB1 )) ( (resid 92 and name HN )) 4.37 2.57 0.66
assign ((resid 97 and name HN )) ( (resid 98 and name HD1 )) 5.10 3.30 0.77
assign ((resid 49 and name HA2 )) ( (resid 51 and name HN )) 4.75 2.95 0.71
assign ((resid 51 and name HN )) ( (resid 71 and name HB1 )) 5.31 3.51 0.80
assign ((resid 95 and name HB2 )) ( (resid 96 and name HN )) 5.32 3.52 0.80
assign ((resid 95 and name HB1 )) ( (resid 96 and name HN )) 5.32 3.52 0.80
assign ((resid 22 and name HN )) ( (resid 23 and name HD1 )) 5.13 3.33 0.77
assign ((resid 22 and name HN )) ( (resid 23 and name HD2 )) 5.54 3.74 0.83
assign ((resid 57 and name HA )) ( (resid 58 and name HN )) 3.27 1.47 0.49
assign ((resid 57 and name HA )) ( (resid 59 and name HN )) 4.86 3.06 0.73
assign ((resid 44 and name HN )) ( (resid 57 and name HA )) 4.11 2.31 0.62
assign ((resid 68 and name HA2 )) ( (resid 69 and name HN )) 3.27 1.47 0.49
assign ((resid 41 and name HA )) ( (resid 42 and name HN )) 3.04 1.24 0.46
assign ((resid 90 and name HN )) ( (resid 90 and name HB2 )) 3.16 1.36 0.47
assign ((resid 90 and name HB2 )) ( (resid 91 and name HN )) 4.31 2.51 0.65
assign ((resid 90 and name HB2 )) ( (resid 92 and name HN )) 4.37 2.57 0.66
assign ((resid 80 and name HN )) ( (resid 81 and name HD2 )) 3.15 1.35 0.47
assign ((resid 34 and name HN )) ( (resid 34 and name HB )) 3.02 1.22 0.45
assign ((resid 81 and name HD2 )) ( (resid 82 and name HN )) 3.39 1.59 0.51
assign ((resid 34 and name HB )) ( (resid 35 and name HN )) 4.43 2.63 0.66
assign ((resid 15 and name HN )) ( (resid 83 and name HA )) 4.61 2.81 0.69
assign ((resid 83 and name HA )) ( (resid 84 and name HN )) 3.14 1.34 0.47
assign ((resid 13 and name HN )) ( (resid 18 and name HA )) 4.82 3.02 0.72
assign ((resid 8 and name HN )) ( (resid 25 and name HB )) 3.58 1.78 0.54
assign ((resid 76 and name HB )) ( (resid 86 and name HN )) 4.61 2.81 0.69
assign ((resid 25 and name HN )) ( (resid 25 and name HB )) 3.26 1.46 0.49
assign ((resid 60 and name HD1 )) ( (resid 61 and name HN )) 4.00 2.20 0.60
assign ((resid 24 and name HN )) ( (resid 25 and name HB )) 6.21 4.41 0.93
assign ((resid 14 and name HN )) ( (resid 18 and name HA )) 3.70 1.90 0.56
assign ((resid 76 and name HB )) ( (resid 77 and name HN )) 3.22 1.42 0.48
assign ((resid 49 and name HA1 )) ( (resid 51 and name HN )) 4.75 2.95 0.71
assign ((resid 18 and name HA )) ( (resid 19 and name HN )) 3.10 1.30 0.47
assign ((resid 18 and name HA )) ( (resid 20 and name HN )) 3.89 2.09 0.58
assign ((resid 25 and name HA )) ( (resid 26 and name HN )) 3.01 1.21 0.45
assign ((resid 25 and name HA )) ( (resid 27 and name HN )) 3.87 2.07 0.58
assign ((resid 59 and name HN )) ( (resid 60 and name HD1 )) 5.22 3.42 0.78
assign ((resid 29 and name HA2 )) ( (resid 30 and name HN )) 3.32 1.52 0.50
assign ((resid 71 and name HB2 )) ( (resid 72 and name HN )) 5.01 3.21 0.75
assign ((resid 46 and name HN )) ( (resid 54 and name HA )) 4.25 2.45 0.64
assign ((resid 54 and name HA )) ( (resid 55 and name HN )) 3.20 1.40 0.48
assign ((resid 54 and name HA )) ( (resid 56 and name HN )) 3.98 2.18 0.60
assign ((resid 38 and name HA )) ( (resid 39 and name HN )) 2.99 1.19 0.45
assign ((resid 27 and name HA )) ( (resid 28 and name HN )) 2.73 0.93 0.41
assign ((resid 100 and name HA )) ( (resid 101 and name HN )) 2.90 1.10 0.44
assign ((resid 107 and name HA )) ( (resid 108 and name HN )) 3.00 1.20 0.45
assign ((resid 59 and name HA )) ( (resid 61 and name HN )) 4.82 3.02 0.72
assign ((resid 102 and name HA )) ( (resid 103 and name HN )) 2.64 0.84 0.40
assign ((resid 93 and name HA )) ( (resid 94 and name HN )) 2.77 0.97 0.42
assign ((resid 80 and name HA )) ( (resid 82 and name HN )) 4.30 2.50 0.65
assign ((resid 80 and name HA )) ( (resid 84 and name HN )) 4.52 2.72 0.68
assign ((resid 80 and name HA )) ( (resid 83 and name HN )) 3.67 1.87 0.55
assign ((resid 96 and name HA )) ( (resid 97 and name HN )) 2.75 0.95 0.41
assign ((resid 4 and name HA )) ( (resid 6 and name HN )) 4.36 2.56 0.65
assign ((resid 105 and name HA )) ( (resid 106 and name HN )) 2.87 1.07 0.43
assign ((resid 92 and name HA )) ( (resid 93 and name HN )) 2.72 0.92 0.41
assign ((resid 77 and name HA )) ( (resid 78 and name HN )) 2.80 1.00 0.42
assign ((resid 37 and name HA2 )) ( (resid 38 and name HN )) 3.43 1.63 0.51
assign ((resid 14 and name HE22 )) ( (resid 37 and name HA2 )) 3.71 1.91 0.56
assign ((resid 14 and name HE21 )) ( (resid 37 and name HA2 )) 3.84 2.04 0.58
assign ((resid 95 and name HA )) ( (resid 96 and name HN )) 2.91 1.11 0.44
assign ((resid 35 and name HA )) ( (resid 43 and name HN )) 4.81 3.01 0.72
assign ((resid 35 and name HA )) ( (resid 36 and name HN )) 2.92 1.12 0.44
assign ((resid 15 and name HA )) ( (resid 17 and name HN )) 4.91 3.11 0.74
assign ((resid 11 and name HA )) ( (resid 12 and name HN )) 2.84 1.04 0.43
assign ((resid 9 and name HN )) ( (resid 23 and name HA )) 5.17 3.37 0.78
assign ((resid 15 and name HA )) ( (resid 15 and name HD22 )) 4.66 2.86 0.70
assign ((resid 15 and name HA )) ( (resid 16 and name HN )) 3.29 1.49 0.49
assign ((resid 11 and name HA )) ( (resid 22 and name HN )) 4.41 2.61 0.66
assign ((resid 81 and name HA )) ( (resid 83 and name HN )) 4.39 2.59 0.66
assign ((resid 23 and name HA )) ( (resid 25 and name HN )) 4.52 2.72 0.68
assign ((resid 10 and name HN )) ( (resid 23 and name HA )) 3.69 1.89 0.55
assign ((resid 23 and name HA )) ( (resid 24 and name HN )) 3.02 1.22 0.45
assign ((resid 20 and name HA )) ( (resid 21 and name HN )) 2.63 0.83 0.39
assign ((resid 28 and name HA )) ( (resid 49 and name HN )) 4.75 2.95 0.71
assign ((resid 28 and name HA )) ( (resid 29 and name HN )) 2.78 0.98 0.42
assign ((resid 78 and name HA )) ( (resid 86 and name HN )) 4.43 2.63 0.66
assign ((resid 78 and name HA )) ( (resid 79 and name HN )) 2.78 0.98 0.42
assign ((resid 56 and name HA )) ( (resid 57 and name HN )) 2.72 0.92 0.41
assign ((resid 52 and name HN )) ( (resid 71 and name HA )) 4.30 2.50 0.65
assign ((resid 61 and name HA )) ( (resid 63 and name HN )) 4.98 3.18 0.75
assign ((resid 101 and name HA )) ( (resid 102 and name HN )) 2.88 1.08 0.43
assign ((resid 53 and name HA )) ( (resid 54 and name HN )) 3.40 1.60 0.51
assign ((resid 53 and name HA )) ( (resid 70 and name HN )) 4.23 2.43 0.63
assign ((resid 36 and name HA )) ( (resid 43 and name HN )) 4.41 2.61 0.66
assign ((resid 94 and name HA )) ( (resid 95 and name HN )) 2.95 1.15 0.44
assign ((resid 36 and name HA )) ( (resid 37 and name HN )) 2.79 0.99 0.42
assign ((resid 99 and name HA )) ( (resid 100 and name HN )) 3.11 1.31 0.47
assign ((resid 106 and name HA )) ( (resid 107 and name HN )) 2.92 1.12 0.44
assign ((resid 17 and name HA )) ( (resid 18 and name HN )) 2.71 0.91 0.41
assign ((resid 7 and name HA )) ( (resid 8 and name HN )) 2.83 1.03 0.42
assign ((resid 9 and name HA )) ( (resid 25 and name HN )) 4.09 2.29 0.61
assign ((resid 9 and name HA )) ( (resid 10 and name HN )) 2.93 1.13 0.44
assign ((resid 9 and name HA )) ( (resid 24 and name HN )) 3.26 1.46 0.49
assign ((resid 6 and name HA )) ( (resid 7 and name HN )) 2.58 0.78 0.39
assign ((resid 7 and name HA )) ( (resid 91 and name HN )) 5.09 3.29 0.76
assign ((resid 72 and name HA )) ( (resid 73 and name HN )) 2.81 1.01 0.42
assign ((resid 75 and name HA )) ( (resid 76 and name HN )) 2.74 0.94 0.41
assign ((resid 11 and name HN )) ( (resid 87 and name HA )) 5.31 3.51 0.80
assign ((resid 69 and name HA )) ( (resid 69 and name HE1 )) 5.49 3.69 0.82
assign ((resid 52 and name HN )) ( (resid 69 and name HA )) 4.94 3.14 0.74
assign ((resid 69 and name HA )) ( (resid 70 and name HN )) 3.23 1.43 0.48
assign ((resid 44 and name HA )) ( (resid 45 and name HN )) 2.99 1.19 0.45
assign ((resid 87 and name HA )) ( (resid 88 and name HN )) 2.82 1.02 0.42
assign ((resid 77 and name HN )) ( (resid 87 and name HA )) 4.17 2.37 0.63
assign ((resid 35 and name HN )) ( (resid 44 and name HA )) 3.86 2.06 0.58
assign ((resid 33 and name HN )) ( (resid 44 and name HA )) 5.18 3.38 0.78
assign ((resid 33 and name HN )) ( (resid 45 and name HA )) 5.74 3.94 0.86
assign ((resid 45 and name HA )) ( (resid 53 and name HN )) 4.67 2.87 0.70
assign ((resid 44 and name HA )) ( (resid 56 and name HN )) 5.09 3.29 0.76
assign ((resid 45 and name HA )) ( (resid 56 and name HN )) 5.48 3.68 0.82
assign ((resid 43 and name HA )) ( (resid 44 and name HN )) 3.11 1.31 0.47
assign ((resid 45 and name HA )) ( (resid 55 and name HN )) 3.67 1.87 0.55
assign ((resid 45 and name HA )) ( (resid 46 and name HN )) 3.00 1.20 0.45
assign ((resid 27 and name HN )) ( (resid 50 and name HA )) 4.30 2.50 0.65
assign ((resid 25 and name HN )) ( (resid 50 and name HA )) 4.22 2.42 0.63
assign ((resid 43 and name HA )) ( (resid 58 and name HN )) 4.87 3.07 0.73
assign ((resid 43 and name HA )) ( (resid 43 and name HD22 )) 4.20 2.40 0.63
assign ((resid 26 and name HN )) ( (resid 50 and name HA )) 4.81 3.01 0.72
assign ((resid 43 and name HA )) ( (resid 43 and name HD21 )) 4.20 2.40 0.63
assign ((resid 12 and name HA )) ( (resid 13 and name HN )) 2.90 1.10 0.44
assign ((resid 86 and name HA )) ( (resid 87 and name HN )) 2.90 1.10 0.44
assign ((resid 31 and name HA )) ( (resid 32 and name HN )) 2.72 0.92 0.41
assign ((resid 10 and name HA )) ( (resid 11 and name HN )) 2.92 1.12 0.44
assign ((resid 70 and name HA )) ( (resid 71 and name HN )) 3.21 1.41 0.48
assign ((resid 70 and name HA )) ( (resid 72 and name HN )) 3.73 1.93 0.56
assign ((resid 10 and name HA )) ( (resid 88 and name HN )) 5.43 3.63 0.81
assign ((resid 79 and name HA )) ( (resid 80 and name HN )) 3.23 1.43 0.48
assign ((resid 79 and name HA )) ( (resid 82 and name HN )) 4.74 2.94 0.71
assign ((resid 74 and name HN )) ( (resid 89 and name HA )) 4.64 2.84 0.70
assign ((resid 89 and name HA )) ( (resid 90 and name HN )) 2.60 0.80 0.39
assign ((resid 14 and name HN )) ( (resid 84 and name HA )) 6.28 4.48 0.94
assign ((resid 9 and name HN )) ( (resid 89 and name HA )) 6.14 4.34 0.92
assign ((resid 15 and name HN )) ( (resid 84 and name HA )) 4.36 2.56 0.65
assign ((resid 84 and name HA )) ( (resid 85 and name HN )) 2.80 1.00 0.42
assign ((resid 34 and name HA )) ( (resid 43 and name HN )) 4.54 2.74 0.68
assign ((resid 34 and name HA )) ( (resid 35 and name HN )) 2.91 1.11 0.44
assign ((resid 33 and name HA )) ( (resid 34 and name HN )) 2.83 1.03 0.42
assign ((resid 34 and name HA )) ( (resid 45 and name HN )) 3.72 1.92 0.56
assign ((resid 11 and name HN )) ( (resid 88 and name HA )) 3.74 1.94 0.56
assign ((resid 88 and name HA )) ( (resid 89 and name HN )) 2.82 1.02 0.42
assign ((resid 10 and name HN )) ( (resid 88 and name HA )) 5.17 3.37 0.78
assign ((resid 74 and name HN )) ( (resid 88 and name HA )) 5.02 3.22 0.75
assign ((resid 41 and name HE21 )) ( (resid 82 and name HA )) 4.60 2.80 0.69
assign ((resid 82 and name HA )) ( (resid 84 and name HN )) 5.46 3.66 0.82
assign ((resid 47 and name HA )) ( (resid 48 and name HN )) 2.94 1.14 0.44
assign ((resid 47 and name HA )) ( (resid 51 and name HN )) 4.78 2.98 0.72
assign ((resid 32 and name HN )) ( (resid 46 and name HA )) 5.80 4.00 0.87
assign ((resid 58 and name HA )) ( (resid 62 and name HE22 )) 4.49 2.69 0.67
assign ((resid 58 and name HA )) ( (resid 62 and name HE21 )) 4.49 2.69 0.67
assign ((resid 31 and name HN )) ( (resid 46 and name HA )) 5.47 3.67 0.82
assign ((resid 31 and name HN )) ( (resid 47 and name HA )) 5.79 3.99 0.87
assign ((resid 46 and name HA )) ( (resid 47 and name HN )) 2.99 1.19 0.45
assign ((resid 9 and name HN )) ( (resid 90 and name HA )) 3.76 1.96 0.56
assign ((resid 90 and name HA )) ( (resid 92 and name HN )) 4.04 2.24 0.61
assign ((resid 90 and name HA )) ( (resid 91 and name HN )) 2.73 0.93 0.41
assign ((resid 7 and name HN )) ( (resid 90 and name HA )) 5.15 3.35 0.77
assign ((resid 12 and name HN )) ( (resid 21 and name HA )) 3.78 1.98 0.57
assign ((resid 21 and name HA )) ( (resid 22 and name HN )) 2.81 1.01 0.42
assign ((resid 79 and name HN )) ( (resid 85 and name HA )) 3.85 2.05 0.58
assign ((resid 85 and name HA )) ( (resid 86 and name HN )) 2.83 1.03 0.42
assign ((resid 51 and name HA )) ( (resid 52 and name HN )) 3.11 1.31 0.47
assign ((resid 51 and name HA )) ( (resid 70 and name HN )) 5.11 3.31 0.77
assign ((resid 76 and name HA )) ( (resid 87 and name HN )) 4.86 3.06 0.73
assign ((resid 76 and name HA )) ( (resid 77 and name HN )) 2.92 1.12 0.44
assign ((resid 76 and name HA )) ( (resid 88 and name HN )) 4.05 2.25 0.61
assign ((resid 8 and name HA )) ( (resid 90 and name HN )) 4.81 3.01 0.72
assign ((resid 8 and name HA )) ( (resid 91 and name HN )) 3.42 1.62 0.51
assign ((resid 8 and name HA )) ( (resid 89 and name HN )) 5.05 3.25 0.76
assign ((resid 8 and name HA )) ( (resid 9 and name HN )) 2.80 1.00 0.42
assign ((resid 42 and name HA )) ( (resid 43 and name HN )) 3.11 1.31 0.47
assign ((resid 37 and name HN )) ( (resid 42 and name HA )) 3.78 1.98 0.57
assign ((resid 14 and name HA )) ( (resid 16 and name HN )) 4.26 2.46 0.64
assign ((resid 14 and name HA )) ( (resid 85 and name HN )) 4.02 2.22 0.60
assign ((resid 14 and name HA )) ( (resid 15 and name HN )) 3.04 1.24 0.46
assign ((resid 14 and name HA )) ( (resid 84 and name HN )) 5.22 3.42 0.78
assign ((resid 14 and name HA )) ( (resid 14 and name HE21 )) 4.78 2.98 0.72
assign ((resid 14 and name HE22 )) ( (resid 42 and name HA )) 4.98 3.18 0.75
assign ((resid 13 and name HA )) ( (resid 14 and name HN )) 2.96 1.16 0.44
assign ((resid 13 and name HA )) ( (resid 19 and name HN )) 3.49 1.69 0.52
assign ((resid 13 and name HA )) ( (resid 18 and name HN )) 4.85 3.05 0.73
assign ((resid 13 and name HA )) ( (resid 20 and name HN )) 4.18 2.38 0.63
assign ((resid 13 and name HA )) ( (resid 17 and name HN )) 4.62 2.82 0.69
assign ((resid 32 and name HA )) ( (resid 33 and name HN )) 2.92 1.12 0.44
assign ((resid 32 and name HA )) ( (resid 47 and name HN )) 3.97 2.17 0.60
assign ((resid 31 and name HN )) ( (resid 48 and name HA )) 4.13 2.33 0.62
assign ((resid 48 and name HA )) ( (resid 49 and name HN )) 3.35 1.55 0.50
assign ((resid 30 and name HD22 )) ( (resid 48 and name HA )) 5.01 3.21 0.75
assign ((resid 30 and name HN )) ( (resid 48 and name HA )) 5.55 3.75 0.83
assign ((resid 30 and name HA )) ( (resid 31 and name HN )) 2.96 1.16 0.44
assign ((resid 30 and name HA )) ( (resid 49 and name HN )) 4.65 2.85 0.70
assign ((resid 48 and name HN )) ( (resid 52 and name HA )) 3.93 2.13 0.59
assign ((resid 52 and name HA )) ( (resid 53 and name HN )) 3.10 1.30 0.47
assign ((resid 46 and name HN )) ( (resid 52 and name HA )) 4.76 2.96 0.71
assign ((resid 41 and name HE22 )) ( (resid 82 and name HD2 )) 4.40 2.60 0.66
assign ((resid 42 and name HE1 )) ( (resid 58 and name HN )) 4.88 3.08 0.73
assign ((resid 42 and name HE2 )) ( (resid 44 and name HN )) 4.37 2.57 0.66
assign ((resid 42 and name HN )) ( (resid 42 and name HE1 )) 4.78 2.98 0.72
assign ((resid 42 and name HE1 )) ( (resid 58 and name HD21 )) 4.37 2.57 0.66
assign ((resid 53 and name HE )) ( (resid 69 and name HH2 )) 4.84 3.04 0.73
assign ((resid 48 and name HN )) ( (resid 69 and name HZ3 )) 3.71 1.91 0.56
assign ((resid 53 and name HN )) ( (resid 69 and name HZ3 )) 4.32 2.52 0.65
assign ((resid 59 and name HN )) ( (resid 62 and name HE22 )) 3.86 2.06 0.58
assign ((resid 33 and name HD1 )) ( (resid 47 and name HN )) 5.68 3.88 0.85
assign ((resid 33 and name HE1 )) ( (resid 47 and name HN )) 6.00 4.20 0.90
assign ((resid 33 and name HN )) ( (resid 33 and name HD1 )) 3.46 1.66 0.52
assign ((resid 33 and name HD2 )) ( (resid 34 and name HN )) 4.04 2.24 0.61
assign ((resid 32 and name HN )) ( (resid 33 and name HD1 )) 4.74 2.94 0.71
assign ((resid 33 and name HE2 )) ( (resid 45 and name HN )) 5.13 3.33 0.77
assign ((resid 33 and name HD2 )) ( (resid 45 and name HN )) 5.38 3.58 0.81
assign ((resid 33 and name HD2 )) ( (resid 35 and name HN )) 4.91 3.11 0.74
assign ((resid 35 and name HN )) ( (resid 42 and name HD2 )) 5.41 3.61 0.81
assign ((resid 42 and name HD2 )) ( (resid 44 and name HN )) 4.05 2.25 0.61
assign ((resid 42 and name HN )) ( (resid 42 and name HD1 )) 3.64 1.84 0.55
assign ((resid 42 and name HD1 )) ( (resid 58 and name HD21 )) 4.39 2.59 0.66
assign ((resid 42 and name HD2 )) ( (resid 43 and name HN )) 4.14 2.34 0.62
assign ((resid 42 and name HD1 )) ( (resid 58 and name HN )) 4.78 2.98 0.72
assign ((resid 77 and name HN )) ( (resid 78 and name HN )) 4.56 2.76 0.68
assign ((resid 66 and name HN )) ( (resid 68 and name HN )) 4.72 2.92 0.71
assign ((resid 68 and name HN )) ( (resid 69 and name HN )) 4.68 2.88 0.70
assign ((resid 53 and name HN )) ( (resid 69 and name HE3 )) 4.69 2.89 0.70
assign ((resid 52 and name HN )) ( (resid 69 and name HE3 )) 4.09 2.29 0.61
assign ((resid 69 and name HE3 )) ( (resid 70 and name HN )) 4.20 2.40 0.63
assign ((resid 85 and name HN )) ( (resid 85 and name HD1 )) 4.82 3.02 0.72
assign ((resid 79 and name HN )) ( (resid 85 and name HD2 )) 4.53 2.73 0.68
assign ((resid 85 and name HD1 )) ( (resid 86 and name HN )) 4.17 2.37 0.63
assign ((resid 77 and name HN )) ( (resid 85 and name HD1 )) 6.39 4.59 0.96
assign ((resid 77 and name HN )) ( (resid 85 and name HE1 )) 7.00 5.20 1.05
assign ((resid 85 and name HD1 )) ( (resid 87 and name HN )) 4.78 2.98 0.72
assign ((resid 53 and name HE )) ( (resid 69 and name HZ2 )) 4.71 2.91 0.71
assign ((resid 58 and name HN )) ( (resid 62 and name HE21 )) 4.76 2.96 0.71
assign ((resid 58 and name HN )) ( (resid 62 and name HE22 )) 4.76 2.96 0.71
assign ((resid 58 and name HN )) ( (resid 59 and name HN )) 3.32 1.52 0.50
assign ((resid 63 and name HN )) ( (resid 66 and name HN )) 5.19 3.39 0.78
assign ((resid 61 and name HN )) ( (resid 63 and name HN )) 4.23 2.43 0.63
assign ((resid 62 and name HN )) ( (resid 63 and name HN )) 3.44 1.64 0.52
assign ((resid 57 and name HN )) ( (resid 58 and name HN )) 4.65 2.85 0.70
assign ((resid 56 and name HN )) ( (resid 57 and name HN )) 4.55 2.75 0.68
assign ((resid 44 and name HN )) ( (resid 56 and name HN )) 3.94 2.14 0.59
assign ((resid 17 and name HN )) ( (resid 18 and name HN )) 4.42 2.62 0.66
assign ((resid 14 and name HN )) ( (resid 17 and name HN )) 3.43 1.63 0.51
assign ((resid 15 and name HN )) ( (resid 15 and name HD21 )) 4.88 3.08 0.73
assign ((resid 51 and name HN )) ( (resid 52 and name HN )) 4.77 2.97 0.72
assign ((resid 84 and name HN )) ( (resid 85 and name HN )) 4.39 2.59 0.66
assign ((resid 82 and name HN )) ( (resid 84 and name HN )) 4.14 2.34 0.62
assign ((resid 79 and name HN )) ( (resid 84 and name HN )) 4.15 2.35 0.62
assign ((resid 65 and name HN )) ( (resid 67 and name HN )) 7.00 5.20 1.05
assign ((resid 67 and name HN )) ( (resid 68 and name HN )) 3.21 1.41 0.48
assign ((resid 69 and name HN )) ( (resid 69 and name HE1 )) 5.19 3.39 0.78
assign ((resid 12 and name HN )) ( (resid 20 and name HN )) 4.10 2.30 0.62
assign ((resid 59 and name HN )) ( (resid 62 and name HE21 )) 3.86 2.06 0.58
assign ((resid 30 and name HD22 )) ( (resid 32 and name HE21 )) 4.76 2.96 0.71
assign ((resid 75 and name HN )) ( (resid 76 and name HN )) 4.66 2.86 0.70
assign ((resid 41 and name HN )) ( (resid 42 and name HN )) 4.74 2.94 0.71
assign ((resid 38 and name HN )) ( (resid 39 and name HN )) 4.57 2.77 0.69
assign ((resid 36 and name HN )) ( (resid 37 and name HN )) 4.59 2.79 0.69
assign ((resid 61 and name HN )) ( (resid 62 and name HN )) 2.53 0.73 0.38
assign ((resid 27 and name HN )) ( (resid 28 and name HN )) 4.25 2.45 0.64
assign ((resid 28 and name HN )) ( (resid 29 and name HN )) 4.63 2.83 0.69
assign ((resid 102 and name HN )) ( (resid 103 and name HN )) 4.30 2.50 0.65
assign ((resid 59 and name HN )) ( (resid 82 and name HE1 )) 4.58 2.78 0.69
assign ((resid 103 and name HN )) ( (resid 104 and name HN )) 4.70 2.90 0.70
assign ((resid 66 and name HN )) ( (resid 67 and name HN )) 3.18 1.38 0.48
assign ((resid 63 and name HN )) ( (resid 64 and name HN )) 3.48 1.68 0.52
assign ((resid 6 and name HN )) ( (resid 7 and name HN )) 4.51 2.71 0.68
assign ((resid 106 and name HN )) ( (resid 107 and name HN )) 4.74 2.94 0.71
assign ((resid 33 and name HN )) ( (resid 46 and name HN )) 5.63 3.83 0.84
assign ((resid 100 and name HN )) ( (resid 101 and name HN )) 4.06 2.26 0.61
assign ((resid 8 and name HN )) ( (resid 24 and name HN )) 5.18 3.38 0.78
assign ((resid 24 and name HN )) ( (resid 25 and name HN )) 3.21 1.41 0.48
assign ((resid 95 and name HN )) ( (resid 96 and name HN )) 4.17 2.37 0.63
assign ((resid 87 and name HN )) ( (resid 88 and name HN )) 4.36 2.56 0.65
assign ((resid 42 and name HN )) ( (resid 43 and name HN )) 4.77 2.97 0.72
assign ((resid 79 and name HN )) ( (resid 85 and name HN )) 5.54 3.74 0.83
assign ((resid 78 and name HN )) ( (resid 79 and name HN )) 4.44 2.64 0.67
assign ((resid 80 and name HN )) ( (resid 83 and name HN )) 5.26 3.46 0.79
assign ((resid 83 and name HN )) ( (resid 84 and name HN )) 3.16 1.36 0.47
assign ((resid 82 and name HN )) ( (resid 83 and name HN )) 2.91 1.11 0.44
assign ((resid 30 and name HD21 )) ( (resid 31 and name HN )) 4.67 2.87 0.70
assign ((resid 99 and name HN )) ( (resid 100 and name HN )) 4.45 2.65 0.67
assign ((resid 4 and name HN )) ( (resid 5 and name HN )) 4.50 2.70 0.68
assign ((resid 76 and name HN )) ( (resid 77 and name HN )) 4.58 2.78 0.69
assign ((resid 94 and name HN )) ( (resid 95 and name HN )) 4.53 2.73 0.68
assign ((resid 5 and name HN )) ( (resid 6 and name HN )) 3.22 1.42 0.48
assign ((resid 77 and name HN )) ( (resid 86 and name HN )) 3.61 1.81 0.54
assign ((resid 7 and name HN )) ( (resid 8 and name HN )) 4.55 2.75 0.68
assign ((resid 20 and name HN )) ( (resid 21 and name HN )) 4.33 2.53 0.65
assign ((resid 91 and name HN )) ( (resid 92 and name HN )) 3.22 1.42 0.48
assign ((resid 75 and name HN )) ( (resid 88 and name HN )) 5.01 3.21 0.75
assign ((resid 29 and name HN )) ( (resid 49 and name HN )) 4.86 3.06 0.73
assign ((resid 9 and name HN )) ( (resid 91 and name HN )) 4.55 2.75 0.68
assign ((resid 90 and name HN )) ( (resid 91 and name HN )) 4.72 2.92 0.71
assign ((resid 48 and name HN )) ( (resid 51 and name HN )) 3.82 2.02 0.57
assign ((resid 86 and name HN )) ( (resid 87 and name HN )) 4.65 2.85 0.70
assign ((resid 18 and name HN )) ( (resid 19 and name HN )) 4.68 2.88 0.70
assign ((resid 42 and name HN )) ( (resid 58 and name HN )) 4.32 2.52 0.65
assign ((resid 39 and name HN )) ( (resid 41 and name HN )) 4.78 2.98 0.72
assign ((resid 71 and name HN )) ( (resid 72 and name HN )) 2.84 1.04 0.43
assign ((resid 74 and name HN )) ( (resid 75 and name HN )) 3.08 1.28 0.46
assign ((resid 74 and name HN )) ( (resid 88 and name HN )) 4.20 2.40 0.63
assign ((resid 89 and name HN )) ( (resid 90 and name HN )) 4.54 2.74 0.68
assign ((resid 8 and name HN )) ( (resid 91 and name HN )) 4.66 2.86 0.70
assign ((resid 46 and name HN )) ( (resid 53 and name HN )) 3.81 2.01 0.57
assign ((resid 48 and name HN )) ( (resid 53 and name HN )) 5.55 3.75 0.83
assign ((resid 31 and name HN )) ( (resid 32 and name HN )) 4.51 2.71 0.68
assign ((resid 53 and name HN )) ( (resid 53 and name HE )) 5.55 3.75 0.83
assign ((resid 32 and name HN )) ( (resid 33 and name HN )) 4.53 2.73 0.68
assign ((resid 39 and name HN )) ( (resid 40 and name HN )) 4.64 2.84 0.70
assign ((resid 73 and name HN )) ( (resid 74 and name HN )) 5.06 3.26 0.76
assign ((resid 13 and name HN )) ( (resid 85 and name HN )) 3.63 1.83 0.54
assign ((resid 8 and name HN )) ( (resid 25 and name HN )) 3.56 1.76 0.53
assign ((resid 73 and name HN )) ( (resid 75 and name HN )) 5.00 3.20 0.75
assign ((resid 79 and name HN )) ( (resid 86 and name HN )) 5.14 3.34 0.77
assign ((resid 40 and name HN )) ( (resid 41 and name HN )) 4.35 2.55 0.65
assign ((resid 10 and name HN )) ( (resid 24 and name HN )) 3.78 1.98 0.57
assign ((resid 46 and name HN )) ( (resid 55 and name HN )) 4.09 2.29 0.61
assign ((resid 55 and name HN )) ( (resid 56 and name HN )) 3.13 1.33 0.47
assign ((resid 45 and name HN )) ( (resid 46 and name HN )) 4.65 2.85 0.70
assign ((resid 33 and name HN )) ( (resid 45 and name HN )) 3.69 1.89 0.55
assign ((resid 52 and name HN )) ( (resid 53 and name HN )) 4.84 3.04 0.73
assign ((resid 53 and name HN )) ( (resid 54 and name HN )) 5.18 3.38 0.78
assign ((resid 52 and name HN )) ( (resid 70 and name HN )) 3.72 1.92 0.56
assign ((resid 35 and name HN )) ( (resid 43 and name HN )) 3.69 1.89 0.55
assign ((resid 35 and name HN )) ( (resid 36 and name HN )) 5.01 3.21 0.75
assign ((resid 16 and name HN )) ( (resid 17 and name HN )) 3.13 1.33 0.47
assign ((resid 9 and name HN )) ( (resid 24 and name HN )) 4.87 3.07 0.73
assign ((resid 8 and name HN )) ( (resid 9 and name HN )) 4.46 2.66 0.67
assign ((resid 9 and name HN )) ( (resid 10 and name HN )) 4.59 2.79 0.69
assign ((resid 13 and name HN )) ( (resid 14 and name HN )) 5.22 3.42 0.78
assign ((resid 11 and name HN )) ( (resid 12 and name HN )) 4.57 2.77 0.69
assign ((resid 88 and name HN )) ( (resid 89 and name HN )) 4.33 2.53 0.65
assign ((resid 12 and name HN )) ( (resid 22 and name HN )) 4.57 2.77 0.69
assign ((resid 48 and name HN )) ( (resid 49 and name HN )) 5.00 3.20 0.75
assign ((resid 30 and name HD22 )) ( (resid 31 and name HN )) 4.46 2.66 0.67
assign ((resid 30 and name HN )) ( (resid 30 and name HD22 )) 6.67 4.87 1.00
assign ((resid 30 and name HN )) ( (resid 49 and name HN )) 7.00 5.20 1.05
assign ((resid 30 and name HD22 )) ( (resid 32 and name HE22 )) 4.76 2.96 0.71
assign ((resid 31 and name HN )) ( (resid 47 and name HN )) 3.76 1.96 0.56
assign ((resid 33 and name HN )) ( (resid 47 and name HN )) 5.19 3.39 0.78
assign ((resid 43 and name HN )) ( (resid 44 and name HN )) 4.74 2.94 0.71
assign ((resid 21 and name HN )) ( (resid 22 and name HN )) 4.40 2.60 0.66
assign ((resid 44 and name HN )) ( (resid 45 and name HN )) 4.53 2.73 0.68
assign ((resid 10 and name HN )) ( (resid 22 and name HN )) 4.20 2.40 0.63
assign ((resid 46 and name HN )) ( (resid 47 and name HN )) 4.57 2.77 0.69
assign ((resid 47 and name HN )) ( (resid 48 and name HN )) 4.97 3.17 0.75
assign ((resid 11 and name HN )) ( (resid 88 and name HN )) 5.22 3.42 0.78
assign ((resid 11 and name HN )) ( (resid 89 and name HN )) 4.57 2.77 0.69
assign ((resid 11 and name HN )) ( (resid 87 and name HN )) 3.64 1.84 0.55
assign ((resid 13 and name HN )) ( (resid 19 and name HN )) 5.05 3.25 0.76
assign ((resid 19 and name HN )) ( (resid 20 and name HN )) 2.94 1.14 0.44
assign ((resid 14 and name HN )) ( (resid 19 and name HN )) 3.99 2.19 0.60
assign ((resid 30 and name HN )) ( (resid 31 and name HN )) 4.50 2.70 0.68
assign ((resid 80 and name HN )) ( (resid 82 and name HN )) 4.92 3.12 0.74
assign ((resid 79 and name HN )) ( (resid 80 and name HN )) 4.40 2.60 0.66
assign ((resid 69 and name HN )) ( (resid 70 and name HN )) 4.66 2.86 0.70
assign ((resid 13 and name HN )) ( (resid 87 and name HN )) 4.92 3.12 0.74
assign ((resid 70 and name HN )) ( (resid 71 and name HN )) 5.25 3.45 0.79
assign ((resid 12 and name HN )) ( (resid 13 and name HN )) 4.74 2.94 0.71
assign ((resid 26 and name HN )) ( (resid 27 and name HN )) 3.40 1.60 0.51
assign ((resid 25 and name HN )) ( (resid 26 and name HN )) 4.63 2.83 0.69
assign ((resid 14 and name HN )) ( (resid 15 and name HN )) 4.59 2.79 0.69
assign ((resid 15 and name HN )) ( (resid 17 and name HN )) 4.74 2.94 0.71
assign ((resid 15 and name HN )) ( (resid 16 and name HN )) 3.55 1.75 0.53
assign ((resid 3 and name HA )) ( (resid 3 and name HD21 )) 3.58 1.78 0.54
assign ((resid 3 and name HA )) ( (resid 3 and name HD22 )) 3.58 1.78 0.54
assign ((resid 3 and name HA )) ( (resid 4 and name HN )) 2.74 0.94 0.41
assign ((resid 4 and name HB )) ( (resid 5 and name HN )) 4.70 2.90 0.70
assign ((resid 8 and name HG2* )) ( (resid 24 and name HN )) 4.03 2.23 0.60
assign ((resid 14 and name HE22 )) ( (resid 37 and name HN )) 4.09 2.29 0.61
assign ((resid 47 and name HG1* )) ( (resid 49 and name HN )) 5.08 3.28 0.76
assign ((resid 50 and name HG2 )) ( (resid 51 and name HN )) 5.45 3.65 0.82
assign ((resid 47 and name HN )) ( (resid 52 and name HG12 )) 5.77 3.97 0.87
assign ((resid 54 and name HB )) ( (resid 65 and name HN )) 4.93 3.13 0.74
assign ((resid 62 and name HB2 )) ( (resid 65 and name HN )) 5.40 3.60 0.81
assign ((resid 62 and name HB1 )) ( (resid 65 and name HN )) 5.40 3.60 0.81
assign ((resid 67 and name HG1 )) ( (resid 68 and name HN )) 4.98 3.18 0.75
assign ((resid 52 and name HN )) ( (resid 69 and name HZ3 )) 5.13 3.33 0.77
assign ((resid 71 and name HN )) ( (resid 72 and name HG2 )) 5.26 3.46 0.79
assign ((resid 71 and name HN )) ( (resid 72 and name HG1 )) 5.26 3.46 0.79
assign ((resid 76 and name HN )) ( (resid 77 and name HD1* )) 5.03 3.23 0.75
assign ((resid 79 and name HB1 )) ( (resid 82 and name HN )) 5.28 3.48 0.79
assign ((resid 13 and name HN )) ( (resid 86 and name HA )) 4.08 2.28 0.61
assign ((resid 8 and name HN )) ( (resid 91 and name HG2* )) 4.95 3.15 0.74
assign ((resid 93 and name HN )) ( (resid 93 and name HD2 )) 5.64 3.84 0.85
assign ((resid 93 and name HN )) ( (resid 93 and name HD1 )) 5.64 3.84 0.85
assign ((resid 96 and name HD2 )) ( (resid 97 and name HN )) 6.12 4.32 0.92
assign ((resid 96 and name HD1 )) ( (resid 97 and name HN )) 6.12 4.32 0.92
assign ((resid 106 and name HA )) ( (resid 106 and name HD21 )) 4.87 3.07 0.73
assign ((resid 106 and name HA )) ( (resid 106 and name HD22 )) 4.87 3.07 0.73
assign ((resid 13 and name HN )) ( (resid 85 and name HD1 )) 5.04 3.24 0.76
assign ((resid 13 and name HN )) ( (resid 86 and name HG1* )) 5.00 3.20 0.75
assign ((resid 13 and name HN )) ( (resid 19 and name HG12 )) 5.17 3.37 0.78
assign ((resid 13 and name HN )) ( (resid 19 and name HD1* )) 5.45 3.65 0.82
assign ((resid 9 and name HN )) ( (resid 89 and name HN )) 3.07 1.27 0.46
assign ((resid 77 and name HN )) ( (resid 85 and name HA )) 4.60 2.80 0.69
assign ((resid 33 and name HN )) ( (resid 34 and name HN )) 4.43 2.63 0.66
assign ((resid 38 and name HA )) ( (resid 41 and name HN )) 6.32 4.52 0.95
assign ((resid 42 and name HE2 )) ( (resid 57 and name HN )) 5.31 3.51 0.80
assign ((resid 59 and name HN )) ( (resid 62 and name HN )) 5.01 3.21 0.75
assign ((resid 63 and name HN )) ( (resid 65 and name HN )) 4.41 2.61 0.66
assign ((resid 62 and name HN )) ( (resid 64 and name HN )) 5.17 3.37 0.78
assign ((resid 64 and name HN )) ( (resid 65 and name HN )) 3.61 1.81 0.54
assign ((resid 65 and name HN )) ( (resid 66 and name HN )) 4.01 2.21 0.60
assign ((resid 66 and name HN )) ( (resid 66 and name HE2 )) 5.91 4.11 0.89
assign ((resid 66 and name HN )) ( (resid 66 and name HE1 )) 5.91 4.11 0.89
assign ((resid 62 and name HA )) ( (resid 64 and name HN )) 4.81 3.01 0.72
assign ((resid 2 and name HA )) ( (resid 2 and name HD* )) 5.30 3.50 0.80
assign ((resid 3 and name HA )) ( (resid 3 and name HD2* )) 2.94 1.14 0.44
assign ((resid 3 and name HB* )) ( (resid 3 and name HD2* )) 3.18 1.38 0.48
assign ((resid 5 and name HN )) ( (resid 6 and name HB* )) 4.74 2.94 0.71
assign ((resid 5 and name HA* )) ( (resid 6 and name HA )) 4.53 2.73 0.68
assign ((resid 6 and name HN )) ( (resid 6 and name HB* )) 2.88 1.08 0.43
assign ((resid 6 and name HB* )) ( (resid 7 and name HN )) 3.56 1.76 0.53
assign ((resid 6 and name HB* )) ( (resid 8 and name HG1* )) 4.12 2.32 0.62
assign ((resid 8 and name HG1* )) ( (resid 90 and name HB* )) 3.53 1.73 0.53
assign ((resid 9 and name HG1* )) ( (resid 23 and name HG* )) 3.91 2.11 0.59
assign ((resid 9 and name HG2* )) ( (resid 89 and name HB* )) 3.73 1.93 0.56
assign ((resid 9 and name HG2* )) ( (resid 89 and name HD* )) 3.58 1.78 0.54
assign ((resid 9 and name HG2* )) ( (resid 89 and name HE* )) 3.50 1.70 0.53
assign ((resid 11 and name HN )) ( (resid 87 and name HB* )) 4.83 3.03 0.72
assign ((resid 11 and name HA )) ( (resid 21 and name HB* )) 4.02 2.22 0.60
assign ((resid 11 and name HA )) ( (resid 21 and name HG* )) 4.20 2.40 0.63
assign ((resid 11 and name HB )) ( (resid 87 and name HB* )) 4.33 2.53 0.65
assign ((resid 11 and name HG2* )) ( (resid 13 and name HB* )) 4.57 2.77 0.69
assign ((resid 11 and name HG2* )) ( (resid 21 and name HB* )) 4.02 2.22 0.60
assign ((resid 11 and name HG2* )) ( (resid 21 and name HG* )) 3.78 1.98 0.57
assign ((resid 11 and name HG2* )) ( (resid 87 and name HB* )) 5.32 3.52 0.80
assign ((resid 11 and name HD1* )) ( (resid 21 and name HG* )) 3.48 1.68 0.52
assign ((resid 11 and name HD1* )) ( (resid 89 and name HD* )) 2.90 1.10 0.44
assign ((resid 12 and name HN )) ( (resid 21 and name HB* )) 4.30 2.50 0.65
assign ((resid 12 and name HA )) ( (resid 13 and name HB* )) 4.63 2.83 0.69
assign ((resid 12 and name HD1* )) ( (resid 20 and name HD* )) 4.87 3.07 0.73
assign ((resid 12 and name HD1* )) ( (resid 21 and name HB* )) 4.64 2.84 0.70
assign ((resid 13 and name HB* )) ( (resid 14 and name HN )) 3.50 1.70 0.53
assign ((resid 13 and name HB* )) ( (resid 16 and name HN )) 4.85 3.05 0.73
assign ((resid 13 and name HB* )) ( (resid 17 and name HN )) 4.10 2.30 0.62
assign ((resid 13 and name HB* )) ( (resid 18 and name HA )) 3.62 1.82 0.54
assign ((resid 13 and name HB* )) ( (resid 18 and name HG2* )) 3.63 1.83 0.54
assign ((resid 13 and name HB* )) ( (resid 19 and name HN )) 4.48 2.68 0.67
assign ((resid 13 and name HB* )) ( (resid 85 and name HN )) 4.21 2.41 0.63
assign ((resid 13 and name HB* )) ( (resid 85 and name HB2 )) 5.24 3.44 0.79
assign ((resid 13 and name HB* )) ( (resid 85 and name HB1 )) 3.90 2.10 0.59
assign ((resid 13 and name HB* )) ( (resid 85 and name HD1 )) 4.50 2.70 0.68
assign ((resid 15 and name HN )) ( (resid 83 and name HG* )) 5.78 3.98 0.87
assign ((resid 15 and name HN )) ( (resid 83 and name HD* )) 4.28 2.48 0.64
assign ((resid 15 and name HA )) ( (resid 16 and name HA* )) 4.31 2.51 0.65
assign ((resid 15 and name HA )) ( (resid 83 and name HG* )) 5.47 3.67 0.82
assign ((resid 15 and name HA )) ( (resid 83 and name HD* )) 3.71 1.91 0.56
assign ((resid 15 and name HB1 )) ( (resid 17 and name HD* )) 5.57 3.77 0.84
assign ((resid 15 and name HB1 )) ( (resid 83 and name HD* )) 6.09 4.29 0.91
assign ((resid 15 and name HD21 )) ( (resid 83 and name HD* )) 5.00 3.20 0.75
assign ((resid 15 and name HD22 )) ( (resid 83 and name HD* )) 4.78 2.98 0.72
assign ((resid 17 and name HG1 )) ( (resid 17 and name HE* )) 3.69 1.89 0.55
assign ((resid 17 and name HD* )) ( (resid 19 and name HA )) 5.88 4.08 0.88
assign ((resid 17 and name HD* )) ( (resid 19 and name HG2* )) 4.02 2.22 0.60
assign ((resid 17 and name HE* )) ( (resid 19 and name HG2* )) 5.37 3.57 0.81
assign ((resid 18 and name HG1* )) ( (resid 21 and name HB* )) 4.87 3.07 0.73
assign ((resid 18 and name HG1* )) ( (resid 21 and name HG* )) 3.29 1.49 0.49
assign ((resid 20 and name HA )) ( (resid 20 and name HD* )) 3.44 1.64 0.52
assign ((resid 20 and name HA )) ( (resid 21 and name HB* )) 4.74 2.94 0.71
assign ((resid 20 and name HA )) ( (resid 21 and name HG* )) 4.28 2.48 0.64
assign ((resid 20 and name HB2 )) ( (resid 20 and name HD* )) 3.58 1.78 0.54
assign ((resid 20 and name HD* )) ( (resid 21 and name HN )) 3.90 2.10 0.59
assign ((resid 20 and name HD* )) ( (resid 22 and name HG11 )) 4.23 2.43 0.63
assign ((resid 20 and name HD* )) ( (resid 22 and name HD1* )) 3.48 1.68 0.52
assign ((resid 21 and name HN )) ( (resid 21 and name HG* )) 3.46 1.66 0.52
assign ((resid 21 and name HG* )) ( (resid 22 and name HN )) 4.75 2.95 0.71
assign ((resid 22 and name HG2* )) ( (resid 23 and name HG* )) 4.12 2.32 0.62
assign ((resid 24 and name HA )) ( (resid 27 and name HB* )) 3.83 2.03 0.57
assign ((resid 24 and name HD2* )) ( (resid 27 and name HB* )) 4.80 3.00 0.72
assign ((resid 25 and name HA )) ( (resid 26 and name HA* )) 4.65 2.85 0.70
assign ((resid 25 and name HG2* )) ( (resid 26 and name HA* )) 3.85 2.05 0.58
assign ((resid 27 and name HB* )) ( (resid 28 and name HN )) 4.10 2.30 0.62
assign ((resid 27 and name HB* )) ( (resid 47 and name HG1* )) 5.18 3.38 0.78
assign ((resid 27 and name HB* )) ( (resid 50 and name HA )) 4.47 2.67 0.67
assign ((resid 27 and name HE1 )) ( (resid 31 and name HG* )) 4.08 2.28 0.61
assign ((resid 28 and name HN )) ( (resid 28 and name HB* )) 2.98 1.18 0.45
assign ((resid 28 and name HN )) ( (resid 28 and name HG* )) 3.29 1.49 0.49
assign ((resid 28 and name HN )) ( (resid 28 and name HD* )) 5.17 3.37 0.78
assign ((resid 28 and name HA )) ( (resid 28 and name HG* )) 3.43 1.63 0.51
assign ((resid 28 and name HA )) ( (resid 28 and name HD* )) 4.91 3.11 0.74
assign ((resid 28 and name HA )) ( (resid 49 and name HA* )) 4.19 2.39 0.63
assign ((resid 28 and name HB* )) ( (resid 28 and name HE* )) 4.83 3.03 0.72
assign ((resid 28 and name HB* )) ( (resid 29 and name HN )) 3.28 1.48 0.49
assign ((resid 28 and name HG* )) ( (resid 29 and name HN )) 3.93 2.13 0.59
assign ((resid 29 and name HN )) ( (resid 49 and name HA* )) 4.77 2.97 0.72
assign ((resid 29 and name HA* )) ( (resid 30 and name HN )) 2.77 0.97 0.42
assign ((resid 29 and name HA* )) ( (resid 30 and name HB* )) 4.20 2.40 0.63
assign ((resid 30 and name HN )) ( (resid 30 and name HB* )) 3.13 1.33 0.47
assign ((resid 30 and name HB* )) ( (resid 31 and name HN )) 4.38 2.58 0.66
assign ((resid 30 and name HD21 )) ( (resid 46 and name HG* )) 3.98 2.18 0.60
assign ((resid 30 and name HD22 )) ( (resid 32 and name HE* )) 4.18 2.38 0.63
assign ((resid 30 and name HD22 )) ( (resid 46 and name HG* )) 3.95 2.15 0.59
assign ((resid 31 and name HN )) ( (resid 31 and name HG* )) 4.28 2.48 0.64
assign ((resid 31 and name HN )) ( (resid 46 and name HG* )) 5.33 3.53 0.80
assign ((resid 31 and name HG* )) ( (resid 32 and name HN )) 3.59 1.79 0.54
assign ((resid 31 and name HG* )) ( (resid 33 and name HD1 )) 3.58 1.78 0.54
assign ((resid 31 and name HG* )) ( (resid 47 and name HG1* )) 4.84 3.04 0.73
assign ((resid 32 and name HA )) ( (resid 32 and name HE* )) 5.25 3.45 0.79
assign ((resid 32 and name HB1 )) ( (resid 55 and name HD* )) 5.05 3.25 0.76
assign ((resid 32 and name HG2 )) ( (resid 32 and name HE* )) 3.28 1.48 0.49
assign ((resid 32 and name HG2 )) ( (resid 46 and name HG* )) 4.71 2.91 0.71
assign ((resid 32 and name HE* )) ( (resid 44 and name HD1* )) 4.98 3.18 0.75
assign ((resid 32 and name HE* )) ( (resid 44 and name HD2* )) 5.29 3.49 0.79
assign ((resid 32 and name HE* )) ( (resid 46 and name HB* )) 5.29 3.49 0.79
assign ((resid 32 and name HE* )) ( (resid 46 and name HG* )) 4.13 2.33 0.62
assign ((resid 32 and name HE* )) ( (resid 55 and name HD* )) 5.03 3.23 0.75
assign ((resid 32 and name HE* )) ( (resid 55 and name HE* )) 4.89 3.09 0.73
assign ((resid 34 and name HB )) ( (resid 36 and name HE* )) 4.54 2.74 0.68
assign ((resid 34 and name HG2* )) ( (resid 36 and name HG* )) 3.24 1.44 0.49
assign ((resid 34 and name HG2* )) ( (resid 36 and name HE* )) 3.94 2.14 0.59
assign ((resid 35 and name HD1* )) ( (resid 43 and name HD2* )) 5.98 4.18 0.90
assign ((resid 36 and name HN )) ( (resid 36 and name HD* )) 4.46 2.66 0.67
assign ((resid 36 and name HA )) ( (resid 36 and name HD* )) 4.70 2.90 0.70
assign ((resid 36 and name HB2 )) ( (resid 36 and name HD* )) 3.41 1.61 0.51
assign ((resid 36 and name HB2 )) ( (resid 36 and name HE* )) 4.64 2.84 0.70
assign ((resid 36 and name HG* )) ( (resid 36 and name HE* )) 3.04 1.24 0.46
assign ((resid 37 and name HA2 )) ( (resid 38 and name HB* )) 5.35 3.55 0.80
assign ((resid 38 and name HN )) ( (resid 38 and name HB* )) 3.18 1.38 0.48
assign ((resid 38 and name HN )) ( (resid 38 and name HG* )) 4.22 2.42 0.63
assign ((resid 38 and name HN )) ( (resid 41 and name HG* )) 4.67 2.87 0.70
assign ((resid 38 and name HA )) ( (resid 38 and name HD* )) 4.65 2.85 0.70
assign ((resid 38 and name HB* )) ( (resid 38 and name HE* )) 5.14 3.34 0.77
assign ((resid 38 and name HB* )) ( (resid 39 and name HA* )) 4.39 2.59 0.66
assign ((resid 38 and name HG* )) ( (resid 39 and name HN )) 4.88 3.08 0.73
assign ((resid 39 and name HA* )) ( (resid 40 and name HB* )) 4.07 2.27 0.61
assign ((resid 39 and name HA* )) ( (resid 41 and name HN )) 4.17 2.37 0.63
assign ((resid 40 and name HB* )) ( (resid 58 and name HD2* )) 3.59 1.79 0.54
assign ((resid 41 and name HN )) ( (resid 41 and name HG* )) 3.20 1.40 0.48
assign ((resid 41 and name HN )) ( (resid 41 and name HE* )) 5.76 3.96 0.86
assign ((resid 41 and name HN )) ( (resid 58 and name HD2* )) 6.27 4.47 0.94
assign ((resid 41 and name HA )) ( (resid 41 and name HE* )) 5.12 3.32 0.77
assign ((resid 41 and name HA )) ( (resid 58 and name HD2* )) 3.68 1.88 0.55
assign ((resid 41 and name HB2 )) ( (resid 41 and name HE* )) 4.06 2.26 0.61
assign ((resid 41 and name HG* )) ( (resid 41 and name HE* )) 3.17 1.37 0.48
assign ((resid 41 and name HG* )) ( (resid 42 and name HN )) 4.88 3.08 0.73
assign ((resid 41 and name HG* )) ( (resid 82 and name HD2 )) 4.41 2.61 0.66
assign ((resid 41 and name HE* )) ( (resid 81 and name HB2 )) 5.23 3.43 0.78
assign ((resid 41 and name HE* )) ( (resid 82 and name HA )) 3.95 2.15 0.59
assign ((resid 41 and name HE* )) ( (resid 82 and name HD2 )) 3.74 1.94 0.56
assign ((resid 42 and name HN )) ( (resid 58 and name HB* )) 4.99 3.19 0.75
assign ((resid 42 and name HN )) ( (resid 58 and name HD2* )) 4.24 2.44 0.64
assign ((resid 42 and name HD1 )) ( (resid 58 and name HB* )) 4.95 3.15 0.74
assign ((resid 42 and name HD1 )) ( (resid 58 and name HD2* )) 3.58 1.78 0.54
assign ((resid 42 and name HE1 )) ( (resid 58 and name HB* )) 3.39 1.59 0.51
assign ((resid 42 and name HE2 )) ( (resid 56 and name HB* )) 4.06 2.26 0.61
assign ((resid 42 and name HE2 )) ( (resid 56 and name HG* )) 3.62 1.82 0.54
assign ((resid 43 and name HD2* )) ( (resid 44 and name HN )) 4.70 2.90 0.70
assign ((resid 43 and name HD2* )) ( (resid 54 and name HG2* )) 3.30 1.50 0.50
assign ((resid 43 and name HD2* )) ( (resid 57 and name HA )) 4.68 2.88 0.70
assign ((resid 43 and name HD2* )) ( (resid 58 and name HN )) 4.95 3.15 0.74
assign ((resid 43 and name HD2* )) ( (resid 84 and name HG2* )) 6.23 4.43 0.93
assign ((resid 44 and name HN )) ( (resid 56 and name HB* )) 4.59 2.79 0.69
assign ((resid 44 and name HN )) ( (resid 56 and name HG* )) 5.82 4.02 0.87
assign ((resid 44 and name HB2 )) ( (resid 56 and name HB* )) 4.25 2.45 0.64
assign ((resid 44 and name HB2 )) ( (resid 56 and name HG* )) 4.84 3.04 0.73
assign ((resid 44 and name HB1 )) ( (resid 55 and name HG* )) 6.02 4.22 0.90
assign ((resid 44 and name HB1 )) ( (resid 56 and name HB* )) 4.15 2.35 0.62
assign ((resid 44 and name HB1 )) ( (resid 56 and name HG* )) 4.75 2.95 0.71
assign ((resid 44 and name HG )) ( (resid 56 and name HB* )) 6.40 4.60 0.96
assign ((resid 44 and name HD1* )) ( (resid 55 and name HB* )) 4.61 2.81 0.69
assign ((resid 44 and name HD1* )) ( (resid 55 and name HD* )) 4.08 2.28 0.61
assign ((resid 44 and name HD1* )) ( (resid 56 and name HB* )) 4.64 2.84 0.70
assign ((resid 44 and name HD2* )) ( (resid 55 and name HB* )) 3.63 1.83 0.54
assign ((resid 44 and name HD2* )) ( (resid 55 and name HG* )) 3.63 1.83 0.54
assign ((resid 44 and name HD2* )) ( (resid 55 and name HD* )) 3.39 1.59 0.51
assign ((resid 44 and name HD2* )) ( (resid 55 and name HE* )) 3.93 2.13 0.59
assign ((resid 44 and name HD2* )) ( (resid 56 and name HB* )) 3.24 1.44 0.49
assign ((resid 44 and name HD2* )) ( (resid 56 and name HG* )) 4.44 2.64 0.67
assign ((resid 45 and name HA )) ( (resid 53 and name HD* )) 5.87 4.07 0.88
assign ((resid 45 and name HE* )) ( (resid 54 and name HG1* )) 3.47 1.67 0.52
assign ((resid 46 and name HN )) ( (resid 46 and name HG* )) 5.04 3.24 0.76
assign ((resid 46 and name HN )) ( (resid 53 and name HD* )) 5.41 3.61 0.81
assign ((resid 46 and name HN )) ( (resid 55 and name HB* )) 4.72 2.92 0.71
assign ((resid 46 and name HB* )) ( (resid 47 and name HN )) 4.06 2.26 0.61
assign ((resid 46 and name HB* )) ( (resid 53 and name HE )) 4.00 2.20 0.60
assign ((resid 46 and name HB* )) ( (resid 55 and name HN )) 4.35 2.55 0.65
assign ((resid 46 and name HB* )) ( (resid 69 and name HH2 )) 4.30 2.50 0.65
assign ((resid 46 and name HG* )) ( (resid 47 and name HN )) 3.79 1.99 0.57
assign ((resid 46 and name HG* )) ( (resid 48 and name HN )) 4.66 2.86 0.70
assign ((resid 46 and name HG* )) ( (resid 48 and name HB2 )) 4.15 2.35 0.62
assign ((resid 46 and name HG* )) ( (resid 48 and name HB1 )) 4.52 2.72 0.68
assign ((resid 46 and name HG* )) ( (resid 53 and name HN )) 5.69 3.89 0.85
assign ((resid 46 and name HG* )) ( (resid 69 and name HZ3 )) 4.33 2.53 0.65
assign ((resid 46 and name HG* )) ( (resid 69 and name HH2 )) 3.90 2.10 0.59
assign ((resid 48 and name HA )) ( (resid 49 and name HA* )) 4.27 2.47 0.64
assign ((resid 48 and name HB1 )) ( (resid 51 and name HD* )) 6.37 4.57 0.96
assign ((resid 49 and name HA* )) ( (resid 50 and name HA )) 4.71 2.91 0.71
assign ((resid 49 and name HA* )) ( (resid 50 and name HG1 )) 4.36 2.56 0.65
assign ((resid 49 and name HA* )) ( (resid 51 and name HN )) 4.18 2.38 0.63
assign ((resid 51 and name HN )) ( (resid 51 and name HD* )) 4.56 2.76 0.68
assign ((resid 51 and name HB2 )) ( (resid 51 and name HD* )) 3.65 1.85 0.55
assign ((resid 51 and name HB2 )) ( (resid 69 and name HB* )) 4.47 2.67 0.67
assign ((resid 51 and name HD* )) ( (resid 52 and name HN )) 5.52 3.72 0.83
assign ((resid 51 and name HD* )) ( (resid 69 and name HB* )) 4.02 2.22 0.60
assign ((resid 51 and name HD* )) ( (resid 69 and name HE3 )) 5.13 3.33 0.77
assign ((resid 51 and name HD* )) ( (resid 69 and name HH2 )) 5.75 3.95 0.86
assign ((resid 53 and name HA )) ( (resid 53 and name HD* )) 4.21 2.41 0.63
assign ((resid 53 and name HB1 )) ( (resid 68 and name HA* )) 5.81 4.01 0.87
assign ((resid 53 and name HG* )) ( (resid 55 and name HA )) 4.89 3.09 0.73
assign ((resid 53 and name HG* )) ( (resid 69 and name HZ3 )) 5.19 3.39 0.78
assign ((resid 53 and name HD* )) ( (resid 54 and name HN )) 5.11 3.31 0.77
assign ((resid 53 and name HD* )) ( (resid 55 and name HN )) 4.80 3.00 0.72
assign ((resid 53 and name HD* )) ( (resid 55 and name HA )) 4.03 2.23 0.60
assign ((resid 53 and name HD* )) ( (resid 69 and name HA )) 4.50 2.70 0.68
assign ((resid 53 and name HD* )) ( (resid 69 and name HE1 )) 4.74 2.94 0.71
assign ((resid 53 and name HE )) ( (resid 55 and name HB* )) 4.76 2.96 0.71
assign ((resid 53 and name HE )) ( (resid 55 and name HG* )) 4.64 2.84 0.70
assign ((resid 54 and name HN )) ( (resid 54 and name HG1* )) 3.32 1.52 0.50
assign ((resid 54 and name HG1* )) ( (resid 77 and name HG2* )) 4.03 2.23 0.60
assign ((resid 55 and name HN )) ( (resid 55 and name HB* )) 3.34 1.54 0.50
assign ((resid 55 and name HN )) ( (resid 55 and name HG* )) 4.43 2.63 0.66
assign ((resid 55 and name HA )) ( (resid 55 and name HD* )) 4.57 2.77 0.69
assign ((resid 55 and name HB* )) ( (resid 56 and name HB* )) 6.12 4.32 0.92
assign ((resid 55 and name HG* )) ( (resid 56 and name HN )) 4.22 2.42 0.63
assign ((resid 55 and name HG* )) ( (resid 56 and name HB* )) 5.00 3.20 0.75
assign ((resid 55 and name HD* )) ( (resid 56 and name HN )) 5.23 3.43 0.78
assign ((resid 56 and name HN )) ( (resid 56 and name HB* )) 3.28 1.48 0.49
assign ((resid 56 and name HN )) ( (resid 56 and name HG* )) 4.48 2.68 0.67
assign ((resid 56 and name HB* )) ( (resid 57 and name HN )) 3.80 2.00 0.57
assign ((resid 56 and name HG* )) ( (resid 57 and name HN )) 3.28 1.48 0.49
assign ((resid 56 and name HG* )) ( (resid 57 and name HA )) 4.52 2.72 0.68
assign ((resid 57 and name HN )) ( (resid 62 and name HE* )) 3.93 2.13 0.59
assign ((resid 57 and name HA )) ( (resid 62 and name HE* )) 5.32 3.52 0.80
assign ((resid 58 and name HN )) ( (resid 59 and name HB* )) 5.09 3.29 0.76
assign ((resid 58 and name HN )) ( (resid 62 and name HE* )) 3.90 2.10 0.59
assign ((resid 58 and name HA )) ( (resid 58 and name HD2* )) 4.50 2.70 0.68
assign ((resid 58 and name HA )) ( (resid 62 and name HE* )) 3.90 2.10 0.59
assign ((resid 59 and name HA )) ( (resid 60 and name HG* )) 4.79 2.99 0.72
assign ((resid 59 and name HB* )) ( (resid 60 and name HD2 )) 3.20 1.40 0.48
assign ((resid 59 and name HB* )) ( (resid 60 and name HD1 )) 3.78 1.98 0.57
assign ((resid 59 and name HB* )) ( (resid 62 and name HN )) 4.10 2.30 0.62
assign ((resid 59 and name HB* )) ( (resid 62 and name HE* )) 5.52 3.72 0.83
assign ((resid 59 and name HB* )) ( (resid 63 and name HN )) 4.71 2.91 0.71
assign ((resid 59 and name HB* )) ( (resid 81 and name HG2 )) 4.18 2.38 0.63
assign ((resid 59 and name HB* )) ( (resid 82 and name HE1 )) 5.01 3.21 0.75
assign ((resid 60 and name HB* )) ( (resid 61 and name HN )) 3.78 1.98 0.57
assign ((resid 61 and name HN )) ( (resid 61 and name HB* )) 3.32 1.52 0.50
assign ((resid 61 and name HB* )) ( (resid 63 and name HN )) 3.93 2.13 0.59
assign ((resid 61 and name HB* )) ( (resid 63 and name HG2* )) 3.01 1.21 0.45
assign ((resid 62 and name HN )) ( (resid 62 and name HE* )) 5.54 3.74 0.83
assign ((resid 62 and name HA )) ( (resid 62 and name HE* )) 3.85 2.05 0.58
assign ((resid 62 and name HB* )) ( (resid 62 and name HE* )) 4.64 2.84 0.70
assign ((resid 62 and name HB* )) ( (resid 63 and name HN )) 4.27 2.47 0.64
assign ((resid 62 and name HB* )) ( (resid 65 and name HN )) 4.61 2.81 0.69
assign ((resid 62 and name HB* )) ( (resid 65 and name HB )) 4.07 2.27 0.61
assign ((resid 62 and name HB* )) ( (resid 65 and name HG1* )) 4.80 3.00 0.72
assign ((resid 62 and name HB* )) ( (resid 65 and name HG2* )) 5.07 3.27 0.76
assign ((resid 62 and name HB* )) ( (resid 66 and name HD* )) 5.57 3.77 0.84
assign ((resid 62 and name HB* )) ( (resid 66 and name HE* )) 4.86 3.06 0.73
assign ((resid 62 and name HG1 )) ( (resid 62 and name HE* )) 3.54 1.74 0.53
assign ((resid 62 and name HE* )) ( (resid 65 and name HG1* )) 6.03 4.23 0.90
assign ((resid 62 and name HE* )) ( (resid 65 and name HG2* )) 3.82 2.02 0.57
assign ((resid 63 and name HN )) ( (resid 66 and name HD* )) 6.62 4.82 0.99
assign ((resid 64 and name HN )) ( (resid 66 and name HD* )) 6.02 4.22 0.90
assign ((resid 65 and name HG1* )) ( (resid 68 and name HA* )) 6.40 4.60 0.96
assign ((resid 66 and name HN )) ( (resid 66 and name HG* )) 3.61 1.81 0.54
assign ((resid 66 and name HN )) ( (resid 66 and name HE* )) 5.07 3.27 0.76
assign ((resid 66 and name HA )) ( (resid 66 and name HG* )) 3.04 1.24 0.46
assign ((resid 66 and name HA )) ( (resid 66 and name HD* )) 4.00 2.20 0.60
assign ((resid 66 and name HB2 )) ( (resid 66 and name HE* )) 4.82 3.02 0.72
assign ((resid 67 and name HA )) ( (resid 70 and name HE* )) 4.64 2.84 0.70
assign ((resid 67 and name HB2 )) ( (resid 70 and name HE* )) 4.64 2.84 0.70
assign ((resid 67 and name HB1 )) ( (resid 70 and name HE* )) 3.49 1.69 0.52
assign ((resid 68 and name HA* )) ( (resid 69 and name HN )) 2.80 1.00 0.42
assign ((resid 69 and name HN )) ( (resid 69 and name HB* )) 3.12 1.32 0.47
assign ((resid 69 and name HB* )) ( (resid 69 and name HD1 )) 3.26 1.46 0.49
assign ((resid 69 and name HB* )) ( (resid 69 and name HE1 )) 4.49 2.69 0.67
assign ((resid 69 and name HB* )) ( (resid 70 and name HN )) 3.85 2.05 0.58
assign ((resid 70 and name HB2 )) ( (resid 75 and name HB* )) 4.83 3.03 0.72
assign ((resid 70 and name HB1 )) ( (resid 75 and name HB* )) 3.59 1.79 0.54
assign ((resid 70 and name HG1 )) ( (resid 75 and name HB* )) 4.92 3.12 0.74
assign ((resid 70 and name HE* )) ( (resid 75 and name HB* )) 4.48 2.68 0.67
assign ((resid 71 and name HN )) ( (resid 72 and name HB* )) 3.94 2.14 0.59
assign ((resid 71 and name HN )) ( (resid 72 and name HG* )) 4.58 2.78 0.69
assign ((resid 71 and name HN )) ( (resid 75 and name HB* )) 5.02 3.22 0.75
assign ((resid 72 and name HN )) ( (resid 72 and name HB* )) 3.17 1.37 0.48
assign ((resid 72 and name HN )) ( (resid 72 and name HG* )) 3.30 1.50 0.50
assign ((resid 72 and name HN )) ( (resid 72 and name HD* )) 5.04 3.24 0.76
assign ((resid 72 and name HN )) ( (resid 75 and name HB* )) 4.48 2.68 0.67
assign ((resid 72 and name HA )) ( (resid 72 and name HD* )) 4.08 2.28 0.61
assign ((resid 72 and name HB* )) ( (resid 73 and name HN )) 3.21 1.41 0.48
assign ((resid 72 and name HB* )) ( (resid 75 and name HN )) 4.87 3.07 0.73
assign ((resid 72 and name HG* )) ( (resid 73 and name HN )) 5.01 3.21 0.75
assign ((resid 72 and name HD* )) ( (resid 73 and name HN )) 4.66 2.86 0.70
assign ((resid 73 and name HB* )) ( (resid 90 and name HB* )) 3.19 1.39 0.48
assign ((resid 74 and name HN )) ( (resid 75 and name HB* )) 4.78 2.98 0.72
assign ((resid 75 and name HN )) ( (resid 75 and name HB* )) 3.03 1.23 0.45
assign ((resid 75 and name HB* )) ( (resid 76 and name HN )) 3.50 1.70 0.53
assign ((resid 75 and name HB* )) ( (resid 88 and name HN )) 5.09 3.29 0.76
assign ((resid 75 and name HB* )) ( (resid 88 and name HB )) 4.32 2.52 0.65
assign ((resid 75 and name HB* )) ( (resid 88 and name HG12 )) 5.30 3.50 0.80
assign ((resid 75 and name HB* )) ( (resid 88 and name HD1* )) 3.57 1.77 0.54
assign ((resid 76 and name HN )) ( (resid 77 and name HG1* )) 5.83 4.03 0.87
assign ((resid 76 and name HA )) ( (resid 77 and name HG1* )) 5.03 3.23 0.75
assign ((resid 76 and name HG2* )) ( (resid 87 and name HB* )) 3.89 2.09 0.58
assign ((resid 76 and name HG2* )) ( (resid 87 and name HG* )) 3.43 1.63 0.51
assign ((resid 77 and name HG1* )) ( (resid 78 and name HN )) 5.27 3.47 0.79
assign ((resid 77 and name HG1* )) ( (resid 86 and name HB )) 3.96 2.16 0.59
assign ((resid 77 and name HG1* )) ( (resid 86 and name HG1* )) 3.37 1.57 0.51
assign ((resid 77 and name HG1* )) ( (resid 86 and name HG2* )) 4.22 2.42 0.63
assign ((resid 80 and name HA )) ( (resid 80 and name HD* )) 2.94 1.14 0.44
assign ((resid 80 and name HD* )) ( (resid 81 and name HD1 )) 3.56 1.76 0.53
assign ((resid 82 and name HN )) ( (resid 83 and name HG* )) 4.61 2.81 0.69
assign ((resid 83 and name HN )) ( (resid 83 and name HG* )) 3.39 1.59 0.51
assign ((resid 83 and name HA )) ( (resid 83 and name HG* )) 3.29 1.49 0.49
assign ((resid 83 and name HA )) ( (resid 83 and name HD* )) 4.11 2.31 0.62
assign ((resid 83 and name HB2 )) ( (resid 83 and name HD* )) 3.64 1.84 0.55
assign ((resid 85 and name HD1 )) ( (resid 87 and name HB* )) 3.67 1.87 0.55
assign ((resid 85 and name HD1 )) ( (resid 87 and name HG* )) 4.73 2.93 0.71
assign ((resid 85 and name HE1 )) ( (resid 87 and name HB* )) 3.61 1.81 0.54
assign ((resid 85 and name HE1 )) ( (resid 87 and name HG* )) 4.47 2.67 0.67
assign ((resid 85 and name HZ )) ( (resid 87 and name HB* )) 4.78 2.98 0.72
assign ((resid 86 and name HG1* )) ( (resid 87 and name HG* )) 5.70 3.90 0.86
assign ((resid 87 and name HN )) ( (resid 87 and name HG* )) 3.83 2.03 0.57
assign ((resid 87 and name HB* )) ( (resid 88 and name HN )) 3.57 1.77 0.54
assign ((resid 87 and name HG* )) ( (resid 88 and name HN )) 4.49 2.69 0.67
assign ((resid 89 and name HN )) ( (resid 89 and name HB* )) 3.30 1.50 0.50
assign ((resid 89 and name HN )) ( (resid 89 and name HD* )) 4.98 3.18 0.75
assign ((resid 89 and name HA )) ( (resid 90 and name HB* )) 4.25 2.45 0.64
assign ((resid 89 and name HB* )) ( (resid 89 and name HE* )) 3.43 1.63 0.51
assign ((resid 89 and name HB* )) ( (resid 90 and name HN )) 3.12 1.32 0.47
assign ((resid 89 and name HG2 )) ( (resid 89 and name HE* )) 3.60 1.80 0.54
assign ((resid 89 and name HG1 )) ( (resid 89 and name HE* )) 3.70 1.90 0.56
assign ((resid 90 and name HN )) ( (resid 90 and name HB* )) 2.76 0.96 0.41
assign ((resid 90 and name HB* )) ( (resid 91 and name HN )) 3.79 1.99 0.57
assign ((resid 90 and name HB* )) ( (resid 92 and name HN )) 3.80 2.00 0.57
assign ((resid 91 and name HN )) ( (resid 92 and name HG* )) 4.66 2.86 0.70
assign ((resid 92 and name HN )) ( (resid 92 and name HB* )) 2.92 1.12 0.44
assign ((resid 92 and name HN )) ( (resid 92 and name HG* )) 3.42 1.62 0.51
assign ((resid 92 and name HA )) ( (resid 92 and name HE* )) 5.05 3.25 0.76
assign ((resid 92 and name HB* )) ( (resid 92 and name HE* )) 4.14 2.34 0.62
assign ((resid 92 and name HB* )) ( (resid 93 and name HN )) 3.35 1.55 0.50
assign ((resid 92 and name HG* )) ( (resid 92 and name HE* )) 3.09 1.29 0.46
assign ((resid 92 and name HG* )) ( (resid 93 and name HN )) 4.54 2.74 0.68
assign ((resid 92 and name HE* )) ( (resid 93 and name HN )) 5.66 3.86 0.85
assign ((resid 93 and name HN )) ( (resid 93 and name HB* )) 2.94 1.14 0.44
assign ((resid 93 and name HN )) ( (resid 93 and name HG* )) 3.52 1.72 0.53
assign ((resid 93 and name HN )) ( (resid 93 and name HD* )) 4.82 3.02 0.72
assign ((resid 93 and name HA )) ( (resid 93 and name HD* )) 4.74 2.94 0.71
assign ((resid 93 and name HB* )) ( (resid 94 and name HN )) 3.50 1.70 0.53
assign ((resid 93 and name HG* )) ( (resid 94 and name HN )) 4.34 2.54 0.65
assign ((resid 93 and name HD* )) ( (resid 94 and name HN )) 4.60 2.80 0.69
assign ((resid 94 and name HN )) ( (resid 94 and name HB* )) 3.12 1.32 0.47
assign ((resid 94 and name HB* )) ( (resid 95 and name HN )) 3.75 1.95 0.56
assign ((resid 95 and name HN )) ( (resid 96 and name HG* )) 4.71 2.91 0.71
assign ((resid 95 and name HA )) ( (resid 96 and name HG* )) 5.21 3.41 0.78
assign ((resid 96 and name HN )) ( (resid 96 and name HB* )) 3.16 1.36 0.47
assign ((resid 96 and name HN )) ( (resid 96 and name HG* )) 3.73 1.93 0.56
assign ((resid 96 and name HN )) ( (resid 96 and name HD* )) 4.94 3.14 0.74
assign ((resid 96 and name HA )) ( (resid 96 and name HD* )) 5.43 3.63 0.81
assign ((resid 96 and name HB* )) ( (resid 96 and name HE* )) 4.36 2.56 0.65
assign ((resid 96 and name HG* )) ( (resid 97 and name HN )) 4.86 3.06 0.73
assign ((resid 96 and name HD* )) ( (resid 97 and name HN )) 5.33 3.53 0.80
assign ((resid 97 and name HN )) ( (resid 97 and name HB* )) 2.91 1.11 0.44
assign ((resid 97 and name HN )) ( (resid 98 and name HD* )) 4.45 2.65 0.67
assign ((resid 97 and name HA )) ( (resid 98 and name HG* )) 4.72 2.92 0.71
assign ((resid 97 and name HB* )) ( (resid 98 and name HD* )) 3.45 1.65 0.52
assign ((resid 97 and name HB* )) ( (resid 99 and name HN )) 3.50 1.70 0.53
assign ((resid 98 and name HB* )) ( (resid 99 and name HN )) 3.67 1.87 0.55
assign ((resid 98 and name HG* )) ( (resid 99 and name HN )) 4.04 2.24 0.61
assign ((resid 98 and name HD* )) ( (resid 99 and name HN )) 3.76 1.96 0.56
assign ((resid 99 and name HN )) ( (resid 99 and name HB* )) 3.20 1.40 0.48
assign ((resid 99 and name HB* )) ( (resid 100 and name HN )) 3.98 2.18 0.60
assign ((resid 101 and name HN )) ( (resid 101 and name HB* )) 3.07 1.27 0.46
assign ((resid 101 and name HN )) ( (resid 102 and name HB* )) 4.86 3.06 0.73
assign ((resid 101 and name HB* )) ( (resid 102 and name HN )) 3.73 1.93 0.56
assign ((resid 103 and name HN )) ( (resid 103 and name HG1* )) 3.32 1.52 0.50
assign ((resid 103 and name HG2* )) ( (resid 103 and name HG1* )) 2.98 1.18 0.45
assign ((resid 104 and name HG* )) ( (resid 105 and name HA )) 4.80 3.00 0.72
assign ((resid 104 and name HG* )) ( (resid 105 and name HD2 )) 3.74 1.94 0.56
assign ((resid 104 and name HG* )) ( (resid 105 and name HD1 )) 5.33 3.53 0.80
assign ((resid 104 and name HG* )) ( (resid 106 and name HN )) 5.73 3.93 0.86
assign ((resid 105 and name HB* )) ( (resid 106 and name HN )) 3.90 2.10 0.59
assign ((resid 106 and name HA )) ( (resid 106 and name HD2* )) 4.28 2.48 0.64
assign ((resid 106 and name HB* )) ( (resid 107 and name HN )) 4.21 2.41 0.63
assign ((resid 107 and name HN )) ( (resid 107 and name HB* )) 3.10 1.30 0.47
assign ((resid 107 and name HN )) ( (resid 107 and name HD* )) 4.24 2.44 0.64
assign ((resid 107 and name HA )) ( (resid 107 and name HD* )) 3.54 1.74 0.53
assign ((resid 107 and name HB* )) ( (resid 108 and name HN )) 4.05 2.25 0.61
assign ((resid 107 and name HD* )) ( (resid 108 and name HN )) 4.00 2.20 0.60
assign ((resid 108 and name HN )) ( (resid 108 and name HG* )) 4.06 2.26 0.61
list of removed NOE constraints
153-> ILE 19 HA - ILE 19 HG11 1.80 4.73 # NoRestrctn I [2.06 4.60] -- intra
172-> LEU 24 HA - LEU 24 HG 1.80 4.91 # NoRestrctn I [2.06 4.26] -- intra
181-> GLU 31 HA - GLU 31 HG1 1.80 4.68 # NoRestrctn I [2.06 4.60] -- intra
194-> LYS 36 HA - LYS 36 HG2 1.80 4.86 # NoRestrctn I [2.06 4.60] -- intra
195-> LYS 36 HA - LYS 36 HG1 1.80 4.86 # NoRestrctn I [2.06 4.60] -- intra
197-> HIS 82 HN - LYS 83 HA 1.80 4.97 # NoRestrctn S [2.00 3.99] -- sequential
199-> GLN 41 HA - GLN 41 HG2 1.80 4.73 # NoRestrctn I [2.06 4.60] -- intra
200-> GLN 41 HA - GLN 41 HG1 1.80 4.73 # NoRestrctn I [2.06 4.60] -- intra
205-> TYR 42 HN - ASN 43 HA 1.80 5.65 # NoRestrctn S [2.00 3.99] -- sequential
226-> ILE 52 HA - ILE 52 HG2* 1.80 4.55 # NoRestrctn I [2.63 3.78] -- intra
227-> ILE 52 HA - ILE 52 HG12 1.80 4.80 # NoRestrctn I [2.06 4.60] -- intra
232-> ILE 54 HA - ILE 54 HG12 1.80 4.70 # NoRestrctn I [2.06 4.60] -- intra
233-> ILE 54 HA - ILE 54 HG2* 1.80 3.82 # NoRestrctn I [2.63 3.78] -- intra
234-> ILE 54 HA - ILE 54 HG11 1.80 4.70 # NoRestrctn I [2.06 4.60] -- intra
237-> LYS 55 HA - LYS 55 HG2 1.80 4.65 # NoRestrctn I [2.06 4.60] -- intra
238-> LYS 55 HA - LYS 55 HG1 1.80 4.65 # NoRestrctn I [2.06 4.60] -- intra
239-> GLU 56 HA - GLU 56 HG2 1.80 4.77 # NoRestrctn I [2.06 4.60] -- intra
246-> GLN 62 HA - GLN 62 HG2 1.80 4.78 # NoRestrctn I [2.06 4.60] -- intra
263-> LYS 70 HA - LYS 70 HG2 1.80 4.85 # NoRestrctn I [2.06 4.60] -- intra
282-> LEU 80 HA - LEU 80 HG 1.80 4.40 # NoRestrctn I [2.06 4.26] -- intra
297-> ILE 103 HA - ILE 103 HG12 1.80 4.80 # NoRestrctn I [2.06 4.60] -- intra
298-> ILE 103 HA - ILE 103 HG11 1.80 4.80 # NoRestrctn I [2.06 4.60] -- intra
346-> ILE 77 HB - ILE 77 HD1* 1.80 4.22 # NoRestrctn I [2.63 3.78] -- intra
351-> GLU 87 HA - GLU 87 HG2 1.80 4.69 # NoRestrctn I [2.06 4.60] -- intra
353-> ILE 88 HB - ILE 88 HD1* 1.80 4.28 # NoRestrctn I [2.63 3.78] -- intra
354-> ILE 103 HB - ILE 103 HD1* 1.80 4.09 # NoRestrctn I [2.63 3.78] -- intra
355-> GLU 87 HN - GLU 87 HB1 1.80 4.63 # NoRestrctn I [2.00 4.30] -- intra
372-> LYS 38 HN - LYS 38 HB1 1.80 4.50 # NoRestrctn I [2.00 4.30] -- intra
393-> PHE 85 HN - PHE 85 HB1 1.80 4.30 # NoRestrctn I [2.00 4.30] -- intra
409-> GLU 21 HN - GLU 21 HB1 1.80 4.61 # NoRestrctn I [2.00 4.30] -- intra
424-> LEU 44 HA - LEU 44 HG 1.80 4.86 # NoRestrctn I [2.06 4.26] -- intra
488-> ILE 12 HA - ILE 12 HG11 1.80 4.74 # NoRestrctn I [2.06 4.60] -- intra
532-> ILE 12 HA - ILE 12 HG2* 1.80 3.91 # NoRestrctn I [2.63 3.78] -- intra
647-> ILE 88 HA - ILE 88 HG2* 1.80 3.94 # NoRestrctn I [2.63 3.78] -- intra
659-> LYS 17 HA - LYS 17 HG2 1.80 4.72 # NoRestrctn I [2.06 4.60] -- intra
665-> GLU 7 HB1 - GLU 7 HG2 1.80 3.44 # NoRestrctn I [1.99 3.26] -- intra
670-> LYS 17 HA - LYS 17 HG1 1.80 4.63 # NoRestrctn I [2.06 4.60] -- intra
672-> GLU 31 HA - GLU 31 HG2 1.80 4.68 # NoRestrctn I [2.06 4.60] -- intra
675-> GLU 50 HA - GLU 50 HG2 1.80 4.66 # NoRestrctn I [2.06 4.60] -- intra
691-> GLU 56 HA - GLU 56 HG1 1.80 4.77 # NoRestrctn I [2.06 4.60] -- intra
694-> GLU 87 HA - GLU 87 HG1 1.80 4.69 # NoRestrctn I [2.06 4.60] -- intra
696-> ILE 11 HB - ILE 11 HD1* 1.80 3.81 # NoRestrctn I [2.63 3.78] -- intra
705-> ILE 12 HB - ILE 12 HD1* 1.80 3.84 # NoRestrctn I [2.63 3.78] -- intra
723-> ILE 52 HB - ILE 52 HD1* 1.80 3.97 # NoRestrctn I [2.63 3.78] -- intra
738-> ILE 35 HB - ILE 35 HD1* 1.80 3.91 # NoRestrctn I [2.63 3.78] -- intra
751-> ILE 54 HB - ILE 54 HD1* 1.80 4.05 # NoRestrctn I [2.63 3.78] -- intra
815-> SER 59 HA - PRO 60 HD2 1.80 4.11 # NoRestrctn S [2.00 3.95] -- sequential
946-> VAL 104 HA - PRO 105 HD1 1.80 4.63 # NoRestrctn S [2.00 3.95] -- sequential
1128-> ILE 54 HN - ILE 54 HG2* 1.80 5.16 # NoRestrctn I [2.04 4.91] -- intra
1133-> ASP 57 HN - ASN 58 HA 1.80 5.90 # NoRestrctn S [2.00 3.99] -- sequential
1219-> GLN 41 HN - GLN 41 HB1 1.80 4.36 # NoRestrctn I [2.00 4.30] -- intra
1339-> ILE 103 HN - ILE 103 HG2* 1.80 4.93 # NoRestrctn I [2.04 4.91] -- intra
1364-> ILE 77 HN - ILE 77 HG2* 1.80 5.06 # NoRestrctn I [2.04 4.91] -- intra
1403-> MET 45 HN - MET 45 HB1 1.80 4.42 # NoRestrctn I [2.00 4.30] -- intra
1461-> LYS 55 HN - LYS 55 HB1 1.80 4.47 # NoRestrctn I [2.00 4.30] -- intra
1472-> LEU 24 HN - LEU 24 HB1 1.80 4.49 # NoRestrctn I [2.00 4.30] -- intra
1485-> ALA 40 HN - ALA 40 HB* 1.80 4.52 # NoRestrctn I [2.66 3.68] -- intra
1507-> ARG 20 HN - ARG 20 HB2 1.80 4.43 # NoRestrctn I [2.00 4.30] -- intra
1516-> ILE 52 HN - ILE 52 HB 1.80 4.60 # NoRestrctn I [2.00 4.30] -- intra
1522-> LYS 70 HN - LYS 70 HB2 1.80 4.53 # NoRestrctn I [2.00 4.30] -- intra
1530-> LYS 28 HN - LYS 28 HB1 1.80 4.32 # NoRestrctn I [2.00 4.30] -- intra
1545-> LYS 38 HN - LYS 38 HB2 1.80 4.50 # NoRestrctn I [2.00 4.30] -- intra
1550-> LYS 28 HN - LYS 28 HB2 1.80 4.32 # NoRestrctn I [2.00 4.30] -- intra
1565-> ARG 20 HN - ARG 20 HB1 1.80 4.30 # NoRestrctn I [2.00 4.30] -- intra
1571-> LYS 96 HN - LYS 96 HB1 1.80 4.50 # NoRestrctn I [2.00 4.30] -- intra
1574-> LYS 55 HN - LYS 55 HB2 1.80 4.47 # NoRestrctn I [2.00 4.30] -- intra
1593-> VAL 9 HN - VAL 9 HB 1.80 4.55 # NoRestrctn I [2.00 4.30] -- intra
1594-> LYS 96 HN - LYS 96 HB2 1.80 4.50 # NoRestrctn I [2.00 4.30] -- intra
1615-> GLU 21 HN - GLU 21 HB2 1.80 4.61 # NoRestrctn I [2.00 4.30] -- intra
1617-> LYS 17 HN - LYS 17 HB2 1.80 4.65 # NoRestrctn I [2.00 4.30] -- intra
1621-> VAL 8 HN - VAL 8 HB 1.80 4.55 # NoRestrctn I [2.00 4.30] -- intra
1630-> GLU 87 HN - GLU 87 HB2 1.80 4.63 # NoRestrctn I [2.00 4.30] -- intra
1639-> GLN 62 HG2 - GLN 62 HE21 1.80 4.31 # NoRestrctn I [2.00 3.99] -- intra
1640-> GLN 62 HG2 - GLN 62 HE22 1.80 4.31 # NoRestrctn I [3.46 4.15] -- intra
1645-> GLN 92 HN - GLN 92 HB1 1.80 4.35 # NoRestrctn I [2.00 4.30] -- intra
1647-> ILE 19 HN - ILE 19 HB 1.80 4.36 # NoRestrctn I [2.00 4.30] -- intra
1654-> GLU 56 HN - GLU 56 HB2 1.80 4.37 # NoRestrctn I [2.00 4.30] -- intra
1660-> MET 67 HN - MET 67 HB1 1.80 4.36 # NoRestrctn I [2.00 4.30] -- intra
1662-> GLU 7 HN - GLU 7 HB1 1.80 4.40 # NoRestrctn I [2.00 4.30] -- intra
1685-> GLN 92 HN - GLN 92 HB2 1.80 4.35 # NoRestrctn I [2.00 4.30] -- intra
1687-> GLU 56 HN - GLU 56 HB1 1.80 4.37 # NoRestrctn I [2.00 4.30] -- intra
1703-> GLU 31 HN - GLU 31 HB2 1.80 4.40 # NoRestrctn I [2.00 4.30] -- intra
1704-> GLU 31 HN - GLU 31 HB1 1.80 4.55 # NoRestrctn I [2.00 4.30] -- intra
1737-> ASP 48 HN - ASP 48 HB2 1.80 4.62 # NoRestrctn I [2.00 4.30] -- intra
1756-> ASP 48 HN - ASP 48 HB1 1.80 4.39 # NoRestrctn I [2.00 4.30] -- intra
1763-> GLN 32 HG2 - GLN 32 HE22 1.80 4.31 # NoRestrctn I [3.46 4.15] -- intra
1764-> GLN 32 HG2 - GLN 32 HE21 1.80 4.31 # NoRestrctn I [2.00 3.99] -- intra
1768-> ASP 101 HN - ASP 101 HB1 1.80 4.47 # NoRestrctn I [2.00 4.30] -- intra
1770-> ASP 94 HN - ASP 94 HB1 1.80 4.55 # NoRestrctn I [2.00 4.30] -- intra
1781-> ASP 61 HN - ASP 61 HB1 1.80 4.35 # NoRestrctn I [2.00 4.30] -- intra
1782-> ASP 101 HN - ASP 101 HB2 1.80 4.47 # NoRestrctn I [2.00 4.30] -- intra
1788-> ASP 94 HN - ASP 94 HB2 1.80 4.55 # NoRestrctn I [2.00 4.30] -- intra
1792-> ASN 15 HN - ASN 15 HB1 1.80 4.77 # NoRestrctn I [2.00 4.30] -- intra
1795-> ASN 15 HB1 - ASN 15 HD21 1.80 3.90 # NoRestrctn I [2.10 3.57] -- intra
1804-> ASP 61 HN - ASP 61 HB2 1.80 4.35 # NoRestrctn I [2.00 4.30] -- intra
1806-> SER 59 HN - SER 59 HB1 1.80 4.62 # NoRestrctn I [2.00 4.30] -- intra
1813-> TRP 69 HN - TRP 69 HB1 1.80 4.37 # NoRestrctn I [2.00 4.30] -- intra
1817-> TRP 69 HN - TRP 69 HB2 1.80 4.37 # NoRestrctn I [2.00 4.30] -- intra
1820-> ASN 15 HB2 - ASN 15 HD21 1.80 3.77 # NoRestrctn I [2.10 3.57] -- intra
1823-> ASN 15 HN - ASN 15 HB2 1.80 4.69 # NoRestrctn I [2.00 4.30] -- intra
1825-> HIS 82 HN - HIS 82 HB2 1.80 4.44 # NoRestrctn I [2.00 4.30] -- intra
1832-> SER 13 HN - SER 13 HB1 1.80 4.73 # NoRestrctn I [2.00 4.30] -- intra
1843-> SER 59 HN - SER 59 HB2 1.80 4.62 # NoRestrctn I [2.00 4.30] -- intra
1851-> SER 13 HN - SER 13 HB2 1.80 4.73 # NoRestrctn I [2.00 4.30] -- intra
1858-> ASP 61 HN - GLN 62 HA 1.80 5.28 # NoRestrctn S [2.00 3.99] -- sequential
1888-> LYS 83 HN - LYS 83 HA 1.80 3.15 # NoRestrctn I [2.22 2.95] -- intra
1895-> LEU 24 HN - THR 25 HA 1.80 6.75 # NoRestrctn S [2.00 3.99] -- sequential
1914-> THR 91 HA - GLN 92 HN 1.80 4.09 # NoRestrctn S [2.00 3.99] -- sequential
1917-> SER 95 HN - LYS 96 HA 1.80 5.74 # NoRestrctn S [2.00 3.99] -- sequential
1922-> CYS 79 HN - LEU 80 HA 1.80 5.59 # NoRestrctn S [2.00 3.99] -- sequential
1944-> ILE 19 HN - ARG 20 HA 1.80 5.42 # NoRestrctn S [2.00 3.99] -- sequential
1969-> SER 71 HN - LYS 72 HA 1.80 5.42 # NoRestrctn S [2.00 3.99] -- sequential
1994-> PHE 85 HN - VAL 86 HA 1.80 5.47 # NoRestrctn S [2.00 3.99] -- sequential
2001-> ILE 88 HN - LYS 89 HA 1.80 6.62 # NoRestrctn S [2.00 3.99] -- sequential
2006-> VAL 9 HN - ALA 10 HA 1.80 6.36 # NoRestrctn S [2.00 3.99] -- sequential
2011-> GLU 87 HN - ILE 88 HA 1.80 5.80 # NoRestrctn S [2.00 3.99] -- sequential
2024-> GLN 32 HN - PHE 33 HA 1.80 6.15 # NoRestrctn S [2.00 3.99] -- sequential
2048-> GLU 7 HN - VAL 8 HA 1.80 5.98 # NoRestrctn S [2.00 3.99] -- sequential
2268-> ARG 20 HN - GLU 21 HA 1.80 5.76 # NoRestrctn S [2.00 3.99] -- sequential
2313-> SER 13 HN - SER 13 HB* 1.80 4.00 # NoRestrctn I [2.29 3.93] -- intra
2324-> ASN 15 HN - GLY 16 HA* 1.80 6.10 # NoRestrctn S [2.00 3.55] -- sequential
2347-> GLU 21 HN - GLU 21 HB* 1.80 3.96 # NoRestrctn I [2.29 3.93] -- intra
2372-> ASN 30 HB* - ASN 30 HD22 1.80 4.04 # NoRestrctn I [2.38 3.90] -- intra
2379-> GLU 31 HA - GLU 31 HG* 1.80 4.09 # NoRestrctn I [2.23 4.01] -- intra
2398-> LYS 36 HA - LYS 36 HG* 1.80 4.12 # NoRestrctn I [2.23 4.01] -- intra
2407-> LYS 38 HA - LYS 38 HG* 1.80 4.16 # NoRestrctn I [2.23 4.01] -- intra
2418-> GLN 41 HA - GLN 41 HG* 1.80 4.07 # NoRestrctn I [2.23 4.01] -- intra
2485-> ARG 53 HN - ARG 53 HD* 1.80 6.77 # NoRestrctn I [2.29 6.01] -- intra
2498-> ILE 54 HA - ILE 54 HG1* 1.80 4.01 # NoRestrctn I [2.23 4.01] -- intra
2502-> LYS 55 HA - LYS 55 HG* 1.80 4.04 # NoRestrctn I [2.23 4.01] -- intra
2505-> LYS 55 HG* - LYS 55 HE* 1.80 3.83 # NoRestrctn I [2.52 3.73] -- intra
2511-> GLU 56 HA - GLU 56 HG* 1.80 4.05 # NoRestrctn I [2.23 4.01] -- intra
2517-> ASN 58 HN - ASN 58 HB* 1.80 4.05 # NoRestrctn I [2.29 3.93] -- intra
2522-> SER 59 HN - SER 59 HB* 1.80 3.96 # NoRestrctn I [2.29 3.93] -- intra
2535-> GLN 62 HN - GLN 62 HB* 1.80 4.08 # NoRestrctn I [2.29 3.93] -- intra
2576-> LYS 72 HA - LYS 72 HG* 1.80 4.17 # NoRestrctn I [2.23 4.01] -- intra
2594-> ILE 77 HA - ILE 77 HG1* 1.80 4.24 # NoRestrctn I [2.23 4.01] -- intra
2600-> LEU 80 HB2 - LEU 80 HD* 1.80 3.40 # NoRestrctn I [2.00 3.20] -- intra
2601-> LEU 80 HB1 - LEU 80 HD* 1.80 3.29 # NoRestrctn I [2.00 3.20] -- intra
2605-> LYS 83 HN - LYS 83 HD* 1.80 6.87 # NoRestrctn I [2.29 6.01] -- intra
2615-> GLU 87 HN - GLU 87 HB* 1.80 3.96 # NoRestrctn I [2.29 3.93] -- intra
2617-> GLU 87 HA - GLU 87 HG* 1.80 4.12 # NoRestrctn I [2.23 4.01] -- intra
2633-> GLN 92 HA - GLN 92 HG* 1.80 4.24 # NoRestrctn I [2.23 4.01] -- intra
2671-> LEU 102 HN - LEU 102 HB* 1.80 4.09 # NoRestrctn I [2.29 3.93] -- intra
2672-> LEU 102 HB* - ILE 103 HA 1.80 6.37 # NoRestrctn S [2.00 6.01] -- sequential
2674-> ILE 103 HA - ILE 103 HG1* 1.80 4.01 # NoRestrctn I [2.23 4.01] -- intra
2681-> ASN 106 HN - ASN 106 HB* 1.80 4.05 # NoRestrctn I [2.29 3.93] -- intra
2682-> ASN 106 HN - ASN 106 HD2* 1.80 6.75 # NoRestrctn I [2.29 6.01] -- intra
2690-> GLU 108 HN - GLU 108 HB* 1.80 4.15 # NoRestrctn I [2.29 3.93] -- intra
====== TOTAL ======: 149
table of distance constraints violations
Residual Violations greater than 0.10
2-> THR 76 HG2* - PHE 85 HZ [ 1.80 4.30] 3.56 0.00 4.69 2.58 2.28 1.96 2.76 4.42 5.05 0.00 0.00 3.96 0.00 0.00 5.28 3.09 0.00 0.00 5.17 0.00 - 12 [ 1.96 .. 5.28]
3-> VAL 78 HG2* - PHE 85 HZ [ 1.80 5.55] 0.15 0.00 0.03 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.03 .. 2.38]
5-> HIS 27 HE1 - GLY 49 HN [ 1.80 5.55] 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 - 2 [ 0.04 .. 0.48]
7-> HIS 27 HE1 - ASP 48 HA [ 1.80 5.36] 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.17 .. 0.17]
12-> HIS 27 HE1 - VAL 47 HB [ 1.80 4.15] 0.12 0.05 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.05 .. 0.12]
13-> HIS 27 HE1 - VAL 47 HG2* [ 1.80 4.90] 0.48 0.47 0.00 0.00 0.00 0.40 0.00 0.14 0.00 0.19 0.00 0.00 0.15 0.34 0.32 0.12 0.26 0.08 0.00 0.00 - 11 [ 0.08 .. 0.48]
18-> HIS 82 HN - HIS 82 HD2 [ 1.80 4.96] 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.31 .. 0.31]
19-> GLN 41 HE21 - HIS 82 HD2 [ 1.80 5.06] 0.36 0.00 0.00 0.00 0.00 1.00 2.58 0.00 3.43 0.93 0.50 0.95 0.00 0.00 2.99 0.00 0.00 0.38 1.28 0.00 - 10 [ 0.36 .. 3.43]
20-> HIS 82 HA - HIS 82 HD2 [ 1.80 3.93] 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.93 0.00 - 4 [ 0.65 .. 0.93]
21-> GLN 41 HG2 - HIS 82 HD2 [ 1.80 5.93] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.41 0.00 - 3 [ 0.41 .. 1.35]
22-> GLN 41 HG3 - HIS 82 HD2 [ 1.80 5.93] 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 2.60 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 1.75 0.00 - 4 [ 0.90 .. 2.60]
23-> PRO 81 HB2 - HIS 82 HD2 [ 1.80 4.54] 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.86 .. 0.86]
24-> TYR 42 HN - HIS 82 HE1 [ 1.80 3.99] 2.58 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 - 3 [ 0.31 .. 2.58]
25-> ASN 58 HN - HIS 82 HE1 [ 1.80 3.86] 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.76 .. 1.76]
27-> GLN 41 HA - HIS 82 HE1 [ 1.80 5.31] 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.59 .. 0.59]
28-> ASP 57 HB2 - HIS 82 HE1 [ 1.80 4.43] 0.00 1.05 0.00 0.00 0.00 0.15 4.53 0.00 0.03 0.00 0.00 0.44 0.00 0.27 0.37 0.85 0.00 0.00 0.34 0.11 - 10 [ 0.03 .. 4.53]
29-> ASP 57 HB3 - HIS 82 HE1 [ 1.80 4.91] 0.00 0.30 0.31 0.00 0.00 0.00 3.22 0.00 1.32 0.00 0.00 0.08 0.00 0.00 1.64 0.38 0.22 0.00 1.61 0.00 - 9 [ 0.08 .. 3.22]
34-> PHE 33 HE* - MET 45 HG3 [ 1.80 4.45] 0.68 0.67 0.34 1.21 1.20 0.00 2.07 0.26 3.87 0.00 0.00 0.00 0.00 0.40 0.55 0.00 0.23 0.43 2.74 0.16 - 14 [ 0.16 .. 3.87]
35-> PHE 33 HE* - ILE 35 HG13 [ 1.80 4.57] 0.00 0.00 0.00 0.00 0.00 0.00 3.50 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.55 0.00 - 3 [ 3.50 .. 3.86]
36-> PHE 33 HE* - MET 45 HE* [ 1.80 4.62] 1.84 1.97 1.79 2.34 2.45 0.08 1.52 1.67 2.06 0.84 1.25 1.37 1.02 1.79 1.95 1.02 0.67 1.70 2.10 1.49 - 20 [ 0.08 .. 2.45]
37-> ARG 20 HG2 - PHE 33 HE* [ 1.80 6.49] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 - 2 [ 1.50 .. 1.58]
38-> ILE 22 HG12 - PHE 33 HE* [ 1.80 5.16] 1.61 2.02 1.88 1.91 1.82 1.94 0.00 2.03 0.00 1.12 2.23 1.15 1.87 1.79 2.07 1.50 1.93 1.01 0.00 2.06 - 17 [ 1.01 .. 2.23]
39-> PHE 33 HE* - ILE 35 HG12 [ 1.80 4.54] 0.00 0.00 0.00 0.00 0.00 0.00 4.13 0.00 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4.10 0.00 - 3 [ 4.10 .. 4.46]
40-> ILE 12 HG12 - PHE 33 HE* [ 1.80 4.55] 0.78 1.24 2.11 1.01 3.96 1.12 4.31 0.74 4.07 0.44 0.67 0.57 1.60 1.10 0.94 0.60 1.11 0.48 3.99 0.76 - 20 [ 0.44 .. 4.31]
41-> PHE 33 HE* - ILE 35 HD1* [ 1.80 3.51] 0.00 0.00 0.00 0.00 0.14 0.00 3.92 0.00 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4.03 0.00 - 4 [ 0.14 .. 4.50]
42-> PHE 33 HE* - VAL 47 HG2* [ 1.80 3.88] 2.94 3.37 3.80 3.65 3.63 3.47 0.00 3.37 0.00 3.16 3.48 3.42 3.45 3.33 3.66 3.12 3.45 3.00 0.00 3.26 - 17 [ 2.94 .. 3.80]
43-> ILE 22 HD1* - PHE 33 HE* [ 1.80 3.73] 1.10 1.54 1.46 1.37 1.66 1.40 0.00 1.42 0.00 0.63 1.62 0.67 1.34 1.30 1.64 1.00 1.38 0.60 0.00 1.48 - 17 [ 0.60 .. 1.66]
44-> PHE 33 HE* - ILE 52 HD1* [ 1.80 4.17] 2.26 2.56 3.11 2.71 3.51 2.45 0.24 2.34 0.71 1.92 2.39 2.11 2.58 2.61 2.95 2.01 2.41 2.12 0.74 2.36 - 20 [ 0.24 .. 3.51]
45-> PHE 33 HE* - MET 45 HB2 [ 1.80 5.11] 0.16 0.34 0.27 0.54 0.75 0.00 0.03 0.12 1.13 0.07 0.05 0.08 0.06 0.25 0.34 0.09 0.21 0.12 0.54 0.08 - 19 [ 0.03 .. 1.13]
46-> PHE 33 HE* - MET 45 HB2 [ 1.80 5.37] 0.00 0.08 0.01 0.28 0.49 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.28 0.00 - 7 [ 0.01 .. 0.87]
47-> VAL 78 HA - PHE 85 HD* [ 1.80 4.62] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.47 .. 0.47]
48-> GLN 32 HA - PHE 33 HD* [ 1.80 4.72] 1.16 1.12 1.14 1.17 1.15 1.10 0.00 1.17 0.00 1.20 1.15 1.14 1.12 1.13 1.17 1.18 1.12 1.22 0.00 1.14 - 17 [ 1.10 .. 1.22]
49-> PHE 33 HD* - THR 34 HA [ 1.80 5.89] 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 - 3 [ 0.26 .. 0.31]
50-> GLU 31 HG2 - PHE 33 HD* [ 1.80 4.97] 0.31 0.65 0.52 0.63 0.42 0.77 0.00 0.76 1.61 0.89 1.47 0.80 0.72 0.63 0.70 0.97 0.66 0.30 0.00 0.91 - 18 [ 0.30 .. 1.61]
51-> GLU 31 HG3 - PHE 33 HD* [ 1.80 4.97] 1.11 1.45 1.44 1.41 1.23 1.82 0.60 1.61 1.63 2.00 0.80 1.90 1.79 1.60 1.79 1.99 1.40 1.48 0.49 2.06 - 20 [ 0.49 .. 2.06]
52-> PHE 33 HD* - MET 45 HG2 [ 1.80 4.57] 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 - 3 [ 0.61 .. 2.19]
53-> PHE 33 HD* - ILE 35 HG13 [ 1.80 4.51] 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 - 3 [ 1.52 .. 1.86]
54-> PHE 33 HD* - ILE 35 HG12 [ 1.80 4.65] 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 - 3 [ 2.01 .. 2.35]
55-> PHE 33 HD* - VAL 47 HG2* [ 1.80 4.14] 1.09 1.51 2.00 1.75 1.75 1.61 0.00 1.50 0.00 1.28 1.58 1.56 1.59 1.47 1.81 1.23 1.60 1.19 0.00 1.40 - 17 [ 1.09 .. 2.00]
59-> PRO 81 HA - HIS 82 HD2 [ 1.80 6.45] 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 - 2 [ 0.34 .. 0.56]
67-> HIS 27 HD2 - LYS 28 HN [ 1.80 5.50] 0.00 0.00 0.30 0.32 0.33 0.28 0.47 0.00 0.00 0.00 0.00 0.20 0.31 0.00 0.00 0.00 0.00 0.10 0.28 0.19 - 10 [ 0.10 .. 0.47]
69-> GLN 41 HB3 - HIS 82 HE1 [ 1.80 5.11] 1.57 0.56 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.45 .. 1.57]
70-> TYR 42 HD* - ASN 58 HD22 [ 1.80 5.05] 0.00 0.00 0.05 0.45 0.00 0.00 0.00 2.86 0.00 0.14 1.61 0.00 0.55 0.00 0.04 0.00 0.44 1.72 0.84 0.00 - 10 [ 0.04 .. 2.86]
71-> GLN 41 HA - TYR 42 HD* [ 1.80 4.72] 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.14 .. 1.31]
74-> TYR 42 HD* - LEU 44 HB2 [ 1.80 4.34] 2.79 0.00 0.00 0.00 1.94 0.00 0.52 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.52 .. 2.79]
75-> THR 34 HG2* - TYR 42 HD* [ 1.80 3.65] 0.61 0.35 0.84 0.16 0.00 0.39 0.12 0.37 0.00 0.40 0.47 0.00 0.00 0.00 0.32 0.53 0.48 0.00 0.33 0.77 - 14 [ 0.12 .. 0.84]
76-> TYR 42 HE* - ASN 58 HD22 [ 1.80 5.03] 1.63 0.00 0.00 0.13 0.00 0.00 0.68 3.82 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.09 1.56 0.00 0.00 - 7 [ 0.08 .. 3.82]
77-> TYR 42 HE* - ASN 58 HB2 [ 1.80 4.78] 4.01 0.00 0.00 0.00 0.42 0.00 2.51 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.42 .. 4.01]
78-> TYR 42 HE* - ASN 58 HB3 [ 1.80 4.78] 4.56 0.58 0.00 0.00 1.33 0.00 3.14 2.94 0.00 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 - 7 [ 0.43 .. 4.56]
79-> TYR 42 HE* - GLU 56 HG3 [ 1.80 5.05] 7.39 0.00 0.00 0.00 6.27 0.00 0.95 5.45 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 - 6 [ 0.42 .. 7.39]
80-> TYR 42 HE* - LEU 44 HB2 [ 1.80 3.97] 5.07 0.30 0.31 0.13 4.27 0.16 0.00 3.99 0.00 0.06 0.66 0.00 0.00 0.00 0.50 0.38 0.52 0.00 0.02 0.57 - 14 [ 0.02 .. 5.07]
81-> THR 34 HG2* - TYR 42 HE* [ 1.80 5.23] 0.02 0.13 0.89 0.12 0.00 0.25 0.00 0.00 0.00 0.17 0.34 0.00 0.00 0.00 0.36 0.50 0.47 0.00 0.13 0.66 - 12 [ 0.02 .. 0.89]
82-> TYR 42 HE* - LEU 44 HD2* [ 1.80 4.30] 5.04 0.51 0.31 0.05 4.42 0.36 0.00 3.79 0.00 0.24 0.80 0.33 0.15 0.00 0.51 0.44 0.58 0.00 0.21 0.51 - 16 [ 0.05 .. 5.04]
84-> THR 76 HB - PHE 85 HE* [ 1.80 4.98] 4.03 0.00 1.96 2.81 2.29 1.85 2.75 4.05 2.15 0.00 0.00 2.19 0.00 0.00 2.37 3.20 0.00 0.00 2.27 0.00 - 12 [ 1.85 .. 4.05]
89-> PHE 33 HZ - MET 45 HG3 [ 1.80 4.88] 2.67 2.60 2.10 3.19 3.14 1.49 3.45 2.18 5.52 1.48 1.79 1.80 1.51 2.33 2.41 1.50 2.12 2.39 4.16 2.09 - 20 [ 1.48 .. 5.52]
90-> ILE 12 HG13 - PHE 33 HZ [ 1.80 5.40] 2.13 2.52 3.14 2.42 5.29 2.45 4.26 2.14 4.01 1.75 2.20 1.98 2.91 2.49 3.39 1.93 2.41 1.61 3.94 2.16 - 20 [ 1.61 .. 5.29]
91-> ILE 12 HG12 - PHE 33 HZ [ 1.80 4.93] 2.70 3.05 3.65 2.91 6.02 2.96 5.71 2.54 5.35 2.24 2.51 2.44 3.42 2.96 2.66 2.43 2.89 2.22 5.25 2.58 - 20 [ 2.22 .. 6.02]
92-> PHE 33 HZ - MET 45 HB3 [ 1.80 5.52] 3.27 3.37 3.00 3.74 3.89 2.69 2.00 3.06 3.10 2.72 2.88 2.82 2.77 3.16 3.29 2.76 3.12 3.16 2.53 2.99 - 20 [ 2.00 .. 3.89]
93-> ILE 12 HD1* - PHE 33 HZ [ 1.80 3.65] 1.38 1.77 2.22 1.58 3.62 1.67 3.59 1.47 3.09 1.02 1.53 1.16 1.96 1.65 2.82 1.21 1.62 0.86 3.04 1.50 - 20 [ 0.86 .. 3.62]
94-> PHE 33 HZ - ILE 52 HD1* [ 1.80 3.83] 4.48 4.74 5.16 4.96 5.80 4.67 2.11 4.51 2.42 4.06 4.59 4.32 4.83 4.86 5.10 4.20 4.58 4.28 2.49 4.55 - 20 [ 2.11 .. 5.80]
95-> THR 76 HB - PHE 85 HZ [ 1.80 4.97] 6.59 0.00 4.27 5.36 4.78 4.36 5.31 6.39 4.52 0.42 0.30 4.44 0.00 0.00 4.79 5.74 0.00 0.00 4.67 0.00 - 14 [ 0.30 .. 6.59]
96-> ASN 43 HD21 - HIS 82 HE1 [ 1.80 5.16] 0.00 0.73 0.00 0.23 0.00 0.00 3.58 0.00 1.42 0.00 1.42 0.00 0.00 0.00 1.61 0.00 0.85 0.37 3.28 0.00 - 9 [ 0.23 .. 3.58]
97-> ASN 43 HD22 - HIS 82 HE1 [ 1.80 5.16] 0.00 2.26 0.00 1.16 0.00 0.00 5.30 0.88 2.69 0.00 2.33 0.00 0.00 0.97 3.00 1.43 2.04 1.20 4.32 0.80 - 14 [ 0.00 .. 5.30]
98-> PHE 33 HD* - ILE 35 HD1* [ 1.80 3.97] 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 - 3 [ 1.89 .. 2.43]
99-> ILE 12 HB - PHE 33 HE* [ 1.80 5.23] 0.00 0.00 0.00 0.00 1.86 0.00 3.74 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.22 0.00 - 4 [ 1.86 .. 3.74]
100-> ILE 22 HG12 - PHE 33 HD* [ 1.80 5.81] 0.00 0.26 0.08 0.07 0.16 0.17 0.00 0.26 0.00 0.00 0.32 0.00 0.09 0.04 0.18 0.00 0.22 0.00 0.00 0.31 - 13 [ 0.00 .. 0.32]
101-> ARG 20 HG2 - PHE 33 HD* [ 1.80 6.39] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 - 2 [ 0.24 .. 0.34]
103-> PHE 85 HE* - GLU 87 HB2 [ 1.80 4.78] 3.77 0.00 3.55 4.17 3.05 3.00 4.90 3.07 3.76 0.00 0.00 0.00 0.00 0.00 3.71 5.02 0.00 0.00 3.77 0.00 - 11 [ 3.00 .. 5.02]
104-> PHE 85 HE* - GLU 87 HB3 [ 1.80 4.78] 4.77 0.00 4.73 4.57 4.27 4.28 5.14 4.20 4.93 0.00 0.00 0.00 0.00 0.00 4.96 5.39 0.00 0.00 4.98 0.00 - 11 [ 4.20 .. 5.39]
105-> ASN 43 HA - HIS 82 HE1 [ 1.80 4.17] 1.51 1.07 0.88 0.00 0.00 0.80 4.50 0.00 1.79 0.48 0.69 0.00 0.35 0.00 1.94 0.11 0.54 0.00 2.68 0.00 - 13 [ 0.11 .. 4.50]
106-> ASP 57 HA - HIS 82 HE1 [ 1.80 4.88] 0.00 0.00 0.00 0.00 0.00 0.00 2.98 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 1.00 0.00 - 4 [ 0.89 .. 2.98]
147-> ASN 15 HA - LYS 83 HD3 [ 1.80 4.91] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.61 .. 0.61]
160-> ILE 11 HD1* - GLU 21 HA [ 1.80 4.13] 1.12 1.07 1.33 0.00 1.41 1.06 0.00 1.21 1.26 1.09 1.14 1.39 1.32 0.00 0.91 1.07 1.14 1.12 1.48 1.33 - 17 [ 0.91 .. 1.48]
175-> SER 59 HA - PRO 81 HG2 [ 1.80 6.11] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.00 - 2 [ 0.06 .. 0.11]
193-> ILE 19 HD1* - ILE 35 HA [ 1.80 4.61] 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.42 .. 0.42]
216-> ASN 30 HD21 - ASP 48 HA [ 1.80 5.04] 0.00 0.00 0.00 0.00 0.78 0.37 0.00 0.00 0.00 0.56 0.35 0.42 0.00 0.00 0.00 0.74 0.61 0.00 0.00 1.06 - 8 [ 0.35 .. 1.06]
236-> ARG 53 HD3 - LYS 55 HA [ 1.80 5.55] 0.36 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.53 0.10 0.43 - 6 [ 0.10 .. 0.55]
240-> GLU 56 HA - VAL 65 HG2* [ 1.80 4.29] 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.27 0.00 0.00 - 3 [ 0.02 .. 0.27]
241-> TYR 42 HE* - ASP 57 HA [ 1.80 5.60] 4.26 0.00 0.00 0.00 2.47 0.00 0.00 2.41 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.88 .. 4.26]
242-> TYR 42 HE* - ASP 57 HA [ 1.80 5.84] 4.02 0.00 0.00 0.00 2.23 0.00 0.00 2.17 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.64 .. 4.02]
249-> VAL 63 HA - LYS 66 HD3 [ 1.80 4.98] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.13 .. 0.13]
266-> SER 71 HA - ILE 88 HD1* [ 1.80 4.09] 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.81 0.80 0.82 0.95 0.00 0.00 0.00 0.00 - 5 [ 0.80 .. 1.53]
272-> ALA 73 HA - ILE 88 HB [ 1.80 4.70] 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.46 .. 0.46]
283-> GLN 41 HE22 - HIS 82 HA [ 1.80 5.29] 0.00 0.00 0.00 0.00 0.00 3.43 0.64 0.63 0.68 2.36 0.00 1.72 0.00 0.46 0.00 0.00 0.00 1.17 0.00 1.55 - 9 [ 0.46 .. 3.43]
292-> ALA 73 HB* - LYS 89 HA [ 1.80 3.86] 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.89 .. 0.89]
293-> VAL 9 HG2* - LYS 89 HA [ 1.80 6.33] 0.00 0.22 0.29 0.27 0.32 0.11 0.42 0.28 0.00 0.23 0.43 0.39 0.26 0.57 0.35 0.42 0.19 0.27 0.43 0.12 - 18 [ 0.11 .. 0.57]
295-> VAL 8 HB - SER 90 HA [ 1.80 4.83] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 - 3 [ 0.01 .. 0.16]
299-> LEU 102 HD1* - ILE 103 HA [ 1.80 5.00] 0.00 1.28 0.00 1.35 0.00 1.18 0.07 1.13 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.45 1.29 0.00 1.40 1.35 - 10 [ 0.07 .. 1.45]
309-> GLY 64 HA3 - ILE 77 HG2* [ 1.80 4.58] 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.42 .. 0.42]
311-> VAL 9 HG1* - THR 91 HB [ 1.80 4.99] 0.00 1.75 1.85 1.57 1.32 1.73 1.37 1.79 0.12 1.74 1.53 1.92 2.03 1.05 1.07 1.85 1.99 2.00 2.33 2.06 - 19 [ 0.12 .. 2.33]
331-> GLU 7 HB3 - THR 25 HB [ 1.80 4.80] 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.08 0.00 0.00 0.25 0.00 - 4 [ 0.08 .. 0.25]
338-> VAL 65 HB - LYS 66 HB2 [ 1.80 5.54] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.82 .. 0.82]
339-> ALA 73 HB* - SER 90 HN [ 1.80 3.67] 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.42 .. 0.42]
343-> VAL 8 HB - ALA 73 HB* [ 1.80 4.80] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.14 0.00 0.35 0.24 0.00 0.00 0.00 0.39 0.00 - 5 [ 0.14 .. 0.39]
344-> ALA 73 HB* - ILE 88 HG2* [ 1.80 4.34] 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.17 .. 0.17]
345-> THR 76 HB - GLU 87 HA [ 1.80 5.01] 0.43 0.00 0.00 0.37 0.00 0.06 0.06 0.00 0.00 0.13 0.27 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 - 8 [ 0.00 .. 0.43]
348-> ILE 77 HD1* - VAL 86 HB [ 1.80 4.49] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 - 1 [ 0.20 .. 0.20]
352-> THR 76 HG2* - GLU 87 HG2 [ 1.80 4.83] 0.15 0.00 0.00 0.00 0.32 0.43 0.00 0.41 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.15 .. 0.43]
362-> ILE 12 HG12 - ARG 20 HB3 [ 1.80 5.38] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 - 2 [ 1.88 .. 1.89]
363-> ILE 12 HD1* - GLU 21 HB2 [ 1.80 6.18] 0.42 0.49 0.11 0.33 0.05 0.39 0.19 0.27 0.05 0.31 0.25 0.32 0.08 0.41 0.00 0.36 0.39 0.56 0.37 0.35 - 19 [ 0.05 .. 0.56]
369-> PHE 33 HE* - MET 45 HG2 [ 1.80 5.07] 0.56 0.28 0.00 0.87 0.47 0.00 2.17 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.15 2.70 0.00 - 9 [ 0.06 .. 3.65]
373-> LYS 38 HN - GLN 41 HB3 [ 1.80 5.20] 0.00 0.00 0.53 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.38 .. 0.53]
378-> GLU 50 HB2 - ARG 51 HB3 [ 1.80 5.38] 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 - 2 [ 0.64 .. 0.72]
382-> ASN 43 HD21 - ASP 57 HB2 [ 1.80 5.21] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.60 0.00 0.00 0.00 0.00 0.28 0.00 - 3 [ 0.28 .. 0.74]
383-> ASN 43 HA - ASP 57 HB2 [ 1.80 4.78] 0.06 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.06 .. 0.65]
395-> VAL 9 HG2* - LYS 89 HB2 [ 1.80 5.13] 0.00 0.00 0.01 1.59 0.23 0.00 1.06 1.61 0.00 0.08 0.28 0.54 0.15 1.92 1.85 0.87 0.00 0.23 0.46 0.09 - 15 [ 0.01 .. 1.92]
398-> VAL 8 HG1* - SER 90 HB2 [ 1.80 4.72] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.00 .. 0.13]
404-> GLU 7 HB2 - VAL 8 HG1* [ 1.80 5.73] 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.79 0.00 0.00 0.77 0.77 0.00 1.40 0.75 1.34 0.00 0.00 1.34 0.00 - 8 [ 0.75 .. 1.40]
405-> ILE 19 HB - ARG 20 HB2 [ 1.80 4.78] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 - 2 [ 1.02 .. 1.10]
406-> ILE 19 HG13 - ARG 20 HB2 [ 1.80 4.17] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 - 2 [ 0.38 .. 0.41]
410-> ILE 11 HD1* - GLU 21 HB3 [ 1.80 4.07] 2.00 2.28 2.42 0.35 2.54 2.19 0.00 1.94 1.72 1.94 2.07 1.20 2.16 0.00 1.70 2.06 2.22 1.09 0.98 2.53 - 18 [ 0.35 .. 2.54]
415-> ASN 43 HA - ASP 57 HB3 [ 1.80 4.72] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.14 0.00 0.21 0.00 0.00 0.00 0.00 - 3 [ 0.14 .. 0.65]
418-> PRO 60 HD3 - PRO 81 HB2 [ 1.80 4.51] 2.74 0.00 0.00 0.00 1.84 2.56 0.00 0.00 1.82 1.98 0.00 1.41 0.29 0.27 0.00 2.33 0.00 0.00 0.00 0.00 - 9 [ 0.27 .. 2.74]
419-> PRO 60 HD2 - PRO 81 HB2 [ 1.80 4.86] 1.68 0.00 0.00 0.00 0.11 0.77 0.00 0.00 0.03 0.17 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 - 6 [ 0.03 .. 1.68]
421-> VAL 9 HG2* - LYS 89 HB3 [ 1.80 5.13] 0.00 0.89 0.98 2.06 1.10 0.76 1.74 2.05 0.00 0.98 1.04 1.25 1.01 2.33 2.24 1.55 0.81 1.03 1.30 0.91 - 18 [ 0.76 .. 2.33]
422-> VAL 8 HG1* - SER 90 HB3 [ 1.80 4.72] 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.65 0.00 0.00 0.27 0.24 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.24 .. 0.65]
425-> LEU 80 HN - LEU 80 HG [ 1.80 4.36] 0.10 0.02 0.06 0.07 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.04 0.00 0.00 0.00 0.00 0.10 0.00 0.05 0.00 - 8 [ 0.02 .. 0.10]
426-> LEU 80 HG - PRO 81 HD2 [ 1.80 5.84] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.11 .. 0.11]
430-> GLU 7 HA - VAL 8 HG1* [ 1.80 4.50] 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.98 0.00 0.00 0.98 1.02 0.00 1.02 1.00 0.98 0.00 0.00 0.99 0.00 - 8 [ 0.98 .. 1.02]
433-> VAL 9 HG2* - ILE 11 HN [ 1.80 5.11] 0.00 1.00 1.17 1.07 1.03 1.06 0.79 1.03 0.00 1.03 1.34 1.17 1.05 1.07 1.01 0.81 1.02 1.00 1.17 1.07 - 18 [ 0.79 .. 1.34]
434-> VAL 8 HN - VAL 9 HG1* [ 1.80 5.40] 0.00 0.91 0.88 1.02 0.91 0.89 0.89 0.88 0.00 0.92 0.79 0.77 0.89 0.93 1.03 0.83 0.94 0.89 0.77 0.86 - 18 [ 0.77 .. 1.03]
435-> VAL 8 HA - VAL 9 HG1* [ 1.80 5.11] 0.00 0.32 0.35 0.29 0.33 0.32 0.35 0.33 0.00 0.33 0.31 0.34 0.33 0.32 0.33 0.31 0.32 0.33 0.31 0.32 - 18 [ 0.29 .. 0.35]
438-> VAL 9 HG2* - ALA 10 HA [ 1.80 5.20] 0.00 0.45 0.44 0.45 0.47 0.47 0.45 0.42 0.00 0.46 0.44 0.45 0.46 0.42 0.41 0.43 0.46 0.46 0.46 0.47 - 18 [ 0.41 .. 0.47]
439-> GLU 56 HA - VAL 65 HG1* [ 1.80 5.44] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 - 1 [ 0.31 .. 0.31]
440-> VAL 9 HG1* - THR 91 HA [ 1.80 4.92] 0.00 1.62 1.37 0.74 1.84 1.21 0.98 1.17 0.48 1.22 0.97 1.25 1.70 1.28 1.47 1.86 1.86 1.28 2.25 1.18 - 19 [ 0.48 .. 2.25]
443-> VAL 9 HG1* - PRO 23 HB2 [ 1.80 4.13] 0.00 0.23 0.12 0.32 0.02 0.17 0.15 0.21 0.00 0.04 0.19 0.23 0.11 0.34 0.28 0.27 0.16 0.13 0.36 0.08 - 18 [ 0.02 .. 0.36]
445-> VAL 9 HG2* - LYS 89 HD2 [ 1.80 4.84] 0.02 1.86 1.89 0.00 2.22 1.94 3.25 1.57 0.00 2.02 2.27 2.63 2.08 2.30 2.51 3.02 1.94 2.37 2.45 2.10 - 18 [ 0.02 .. 3.25]
446-> VAL 9 HG2* - LYS 89 HD3 [ 1.80 4.84] 0.89 2.65 2.95 1.05 2.96 2.63 3.79 2.30 0.57 2.76 2.87 3.20 2.90 2.87 2.92 3.51 2.62 2.95 3.17 2.82 - 20 [ 0.57 .. 3.79]
447-> VAL 9 HG2* - ILE 11 HG12 [ 1.80 4.15] 0.00 1.11 1.59 1.18 1.27 1.24 0.83 1.09 0.00 1.33 1.25 1.43 1.23 1.20 1.08 0.99 1.15 1.17 1.38 1.22 - 18 [ 0.83 .. 1.59]
451-> GLU 31 HG3 - VAL 47 HG2* [ 1.80 5.51] 0.00 0.00 0.41 0.00 0.16 0.00 0.73 0.00 0.55 0.00 0.00 0.22 0.25 0.29 0.09 0.00 0.00 0.05 0.86 0.00 - 10 [ 0.05 .. 0.86]
452-> GLU 31 HB3 - VAL 47 HG2* [ 1.80 4.59] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.31 .. 0.31]
463-> GLU 31 HB3 - VAL 47 HG1* [ 1.80 5.05] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.13 .. 0.13]
467-> VAL 63 HG1* - MET 67 HN [ 1.80 5.09] 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.08 .. 0.26]
468-> VAL 78 HG2* - PHE 85 HE* [ 1.80 3.74] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.25 .. 2.62]
469-> ILE 77 HA - VAL 78 HG2* [ 1.80 4.38] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.02 .. 1.02]
470-> THR 76 HB - VAL 78 HG2* [ 1.80 4.70] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.24 .. 1.24]
471-> VAL 78 HG1* - LEU 80 HB2 [ 1.80 4.49] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.73 .. 0.73]
472-> VAL 78 HG1* - LEU 80 HG [ 1.80 3.93] 1.58 1.36 1.35 1.30 0.00 0.00 0.00 0.59 0.00 1.48 0.00 1.60 0.00 0.00 0.00 0.00 1.47 0.00 1.52 0.00 - 9 [ 0.59 .. 1.60]
481-> ILE 77 HG12 - VAL 86 HG1* [ 1.80 4.88] 0.13 0.20 0.00 0.08 0.08 0.18 0.12 0.40 0.14 0.11 0.29 0.35 0.17 0.17 0.12 0.12 0.12 0.00 0.13 0.15 - 18 [ 0.08 .. 0.40]
486-> ILE 11 HG12 - LYS 89 HG2 [ 1.80 5.07] 2.09 2.08 1.90 0.00 2.02 1.96 2.04 0.00 2.05 2.10 2.20 2.26 2.14 0.00 0.59 3.83 2.03 2.16 2.18 1.92 - 17 [ 0.59 .. 3.83]
487-> ILE 11 HG12 - LYS 89 HG3 [ 1.80 4.69] 0.89 0.85 0.60 0.00 0.78 0.71 0.98 0.84 0.82 0.88 1.03 1.10 0.93 0.00 1.65 2.82 0.77 0.91 0.99 0.72 - 18 [ 0.60 .. 2.82]
493-> VAL 8 HG2* - ILE 88 HG12 [ 1.80 5.65] 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.03 0.00 0.00 0.95 1.02 0.00 1.03 1.19 1.17 0.00 0.00 1.09 0.00 - 8 [ 0.95 .. 1.20]
509-> VAL 8 HG2* - VAL 9 HA [ 1.80 5.22] 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.35 0.00 0.00 0.33 0.34 0.00 0.35 0.37 0.37 0.00 0.00 0.36 0.00 - 8 [ 0.33 .. 0.37]
510-> VAL 8 HG2* - THR 25 HA [ 1.80 5.21] 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.06 0.00 0.00 0.00 0.12 0.00 0.24 0.06 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.06 .. 0.24]
514-> VAL 8 HG2* - LEU 24 HB2 [ 1.80 3.82] 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.73 0.00 0.00 0.75 0.78 0.00 0.73 0.86 0.83 0.00 0.00 0.91 0.00 - 8 [ 0.73 .. 0.91]
515-> VAL 8 HG2* - LEU 24 HB3 [ 1.80 3.99] 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.41 0.00 0.00 1.46 1.50 0.00 1.45 1.61 1.54 0.00 0.00 1.70 0.00 - 8 [ 1.41 .. 1.70]
516-> VAL 8 HG2* - ALA 10 HB* [ 1.80 5.80] 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.69 0.00 0.00 0.65 0.71 0.00 0.77 0.73 0.75 0.00 0.00 0.79 0.00 - 8 [ 0.65 .. 0.79]
518-> VAL 8 HG2* - ILE 88 HG2* [ 1.80 3.51] 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.23 0.00 0.00 0.10 0.20 0.00 0.27 0.37 0.36 0.00 0.00 0.25 0.00 - 8 [ 0.10 .. 0.37]
531-> ILE 12 HG2* - PHE 33 HE* [ 1.80 5.07] 0.00 0.00 0.00 0.00 0.81 0.00 3.34 0.00 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 0.00 - 4 [ 0.81 .. 3.34]
545-> GLN 14 HG2 - ILE 19 HG2* [ 1.80 4.96] 0.00 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.16 .. 0.16]
548-> LYS 17 HG3 - ILE 19 HG2* [ 1.80 3.91] 0.95 1.52 1.73 1.50 1.70 1.68 1.78 1.92 1.30 1.85 1.65 1.14 1.90 0.00 1.70 1.78 1.68 1.90 1.09 1.70 - 19 [ 0.95 .. 1.92]
562-> GLU 7 HG2 - THR 25 HG2* [ 1.80 4.26] 0.00 0.23 0.00 0.00 0.00 0.00 0.82 0.00 0.03 0.00 0.00 0.00 0.00 0.26 0.00 0.47 0.27 0.00 0.52 0.00 - 7 [ 0.03 .. 0.82]
563-> GLU 7 HB3 - THR 25 HG2* [ 1.80 4.60] 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.07 0.00 0.00 0.09 0.00 - 4 [ 0.05 .. 0.10]
564-> THR 25 HG2* - GLU 50 HB3 [ 1.80 5.05] 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.21 0.03 0.00 0.07 0.00 0.10 0.67 0.00 0.05 0.00 - 8 [ 0.03 .. 0.67]
567-> THR 34 HG2* - TYR 42 HA [ 1.80 4.73] 0.00 0.48 0.00 0.01 0.00 0.00 0.54 0.00 0.00 0.25 0.38 0.34 0.00 0.00 0.00 0.00 0.12 0.16 0.52 0.44 - 10 [ 0.01 .. 0.54]
571-> THR 34 HG2* - TYR 42 HB3 [ 1.80 4.20] 0.00 0.62 0.19 0.18 0.00 0.02 2.15 0.00 0.10 0.18 0.78 0.04 0.03 0.00 0.09 0.09 0.60 0.00 0.69 0.73 - 15 [ 0.02 .. 2.15]
572-> THR 34 HG2* - TYR 42 HB2 [ 1.80 3.98] 0.66 0.00 0.00 0.00 0.46 0.00 1.85 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.46 .. 1.85]
574-> THR 34 HG2* - LYS 36 HG3 [ 1.80 4.60] 0.00 0.00 0.00 0.55 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.48 0.00 0.00 0.00 0.17 0.00 0.00 - 5 [ 0.17 .. 0.63]
575-> PHE 33 HE* - ILE 35 HG2* [ 1.80 6.35] 0.00 0.00 0.00 0.00 0.00 0.00 2.93 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 0.00 - 3 [ 2.91 .. 3.16]
576-> PHE 33 HD* - ILE 35 HG2* [ 1.80 6.84] 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 - 3 [ 0.72 .. 0.96]
578-> GLN 14 HB3 - ILE 35 HG2* [ 1.80 4.91] 0.00 0.00 0.00 0.00 0.71 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.35 .. 0.71]
579-> GLN 14 HG3 - ILE 35 HG2* [ 1.80 5.35] 0.00 0.00 0.00 0.00 0.72 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.45 .. 0.72]
580-> GLN 14 HG2 - ILE 35 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 1.92 0.00 1.47 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.29 .. 1.92]
585-> ILE 19 HG13 - ILE 35 HG2* [ 1.80 4.82] 0.00 0.00 0.06 0.00 0.00 0.05 0.00 0.37 0.00 0.00 0.32 0.00 0.00 0.00 0.15 0.00 0.26 0.00 0.00 0.11 - 7 [ 0.05 .. 0.37]
591-> PHE 33 HZ - VAL 47 HG2* [ 1.80 4.77] 3.71 4.17 4.61 4.52 4.49 4.32 0.00 4.18 0.00 3.95 4.33 4.25 4.32 4.15 4.48 3.93 4.25 3.75 0.00 4.06 - 17 [ 3.71 .. 4.61]
603-> MET 67 HB3 - ILE 77 HD1* [ 1.80 4.43] 0.00 0.61 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.57 0.00 1.42 0.68 - 6 [ 0.52 .. 1.42]
621-> GLN 62 HA - VAL 65 HG2* [ 1.80 4.82] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.83 .. 0.83]
625-> ILE 54 HD1* - VAL 65 HG2* [ 1.80 4.57] 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.04 .. 0.69]
627-> THR 76 HG2* - PHE 85 HE* [ 1.80 4.19] 1.73 0.00 2.83 0.72 0.50 0.15 0.92 2.50 3.13 0.00 0.00 2.04 0.00 0.00 3.32 1.28 0.00 0.00 3.24 0.00 - 12 [ 0.15 .. 3.32]
628-> THR 76 HG2* - GLU 87 HA [ 1.80 3.77] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.17 .. 0.17]
640-> GLN 14 HG3 - VAL 84 HG2* [ 1.80 4.14] 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.69 .. 0.69]
641-> GLN 14 HG2 - VAL 84 HG2* [ 1.80 4.72] 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.14 .. 0.14]
642-> ILE 35 HG2* - VAL 84 HG2* [ 1.80 3.81] 0.00 0.00 0.00 0.00 0.31 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.15 .. 0.31]
651-> VAL 8 HB - ILE 88 HG2* [ 1.80 3.69] 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.45 0.00 0.00 0.37 0.40 0.00 0.41 0.39 0.39 0.00 0.00 0.35 0.00 - 8 [ 0.29 .. 0.45]
655-> GLU 7 HB2 - THR 91 HG2* [ 1.80 4.62] 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.66 0.00 0.05 0.00 0.00 0.00 0.00 - 4 [ 0.05 .. 1.22]
656-> VAL 9 HG1* - THR 91 HG2* [ 1.80 3.43] 0.00 0.73 0.95 0.76 0.28 0.88 0.47 0.80 0.00 0.76 0.68 0.94 0.94 0.07 0.04 0.67 0.79 1.07 1.02 1.16 - 18 [ 0.04 .. 1.16]
669-> ILE 11 HD1* - GLU 21 HG2 [ 1.80 4.58] 0.61 0.93 1.04 0.00 1.13 0.83 0.00 0.45 0.45 0.52 0.60 0.00 0.66 0.00 0.28 0.69 0.83 0.00 0.00 1.04 - 14 [ 0.28 .. 1.13]
674-> THR 34 HG2* - LYS 36 HG2 [ 1.80 4.60] 0.00 0.00 0.00 1.53 1.40 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 1.49 0.00 0.00 0.00 1.22 0.00 0.00 - 5 [ 1.22 .. 1.57]
676-> THR 25 HA - GLU 50 HG2 [ 1.80 4.90] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.04 .. 1.04]
678-> TYR 42 HE* - GLU 56 HG2 [ 1.80 5.05] 7.85 0.00 0.00 0.00 4.73 0.00 1.29 3.89 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 - 6 [ 0.66 .. 7.85]
681-> VAL 9 HG2* - LYS 89 HG2 [ 1.80 4.38] 1.23 3.18 3.21 2.17 3.39 3.12 3.95 1.24 1.01 3.27 3.46 3.62 3.33 1.63 1.56 3.85 3.16 3.35 3.60 3.23 - 20 [ 1.01 .. 3.95]
683-> GLU 7 HG3 - THR 25 HB [ 1.80 4.70] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 0.30 0.03 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.16 - 5 [ 0.03 .. 0.30]
684-> GLU 7 HG3 - THR 25 HG2* [ 1.80 4.31] 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.49 .. 0.49]
687-> ILE 11 HD1* - GLU 21 HG3 [ 1.80 4.58] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.73 0.54 0.00 - 3 [ 0.54 .. 0.84]
689-> VAL 9 HG2* - LYS 89 HG3 [ 1.80 4.37] 0.36 2.45 2.43 1.01 2.70 2.48 3.39 0.74 0.08 2.57 2.86 3.08 2.66 0.95 1.02 3.31 2.49 2.73 2.95 2.60 - 20 [ 0.08 .. 3.39]
693-> VAL 63 HG1* - MET 67 HG3 [ 1.80 4.74] 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.07 .. 0.46]
695-> ILE 11 HD1* - ILE 12 HN [ 1.80 4.67] 0.71 0.65 0.65 0.00 0.71 0.65 0.00 0.69 0.57 0.61 0.57 0.73 0.67 0.00 0.56 0.72 0.67 0.65 0.63 0.71 - 17 [ 0.56 .. 0.73]
697-> ILE 11 HD1* - GLU 21 HB2 [ 1.80 4.07] 0.86 1.06 1.23 0.00 1.35 0.99 0.00 0.86 0.62 0.81 0.94 2.26 1.07 0.16 0.59 0.87 1.03 2.17 1.95 1.38 - 18 [ 0.16 .. 2.26]
698-> ILE 11 HD1* - LYS 89 HD2 [ 1.80 3.97] 0.00 0.00 0.00 0.35 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.58 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.35 .. 2.44]
699-> ILE 11 HD1* - LYS 89 HD3 [ 1.80 3.97] 0.00 0.00 0.00 0.99 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.08 0.98 0.00 0.00 0.00 0.00 - 5 [ 0.08 .. 3.59]
700-> ILE 11 HD1* - LYS 89 HG2 [ 1.80 4.62] 0.00 0.00 0.00 0.00 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 - 2 [ 1.23 .. 3.27]
701-> ILE 11 HD1* - LYS 89 HG3 [ 1.80 5.09] 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.68 .. 1.68]
702-> ALA 10 HB* - ILE 11 HD1* [ 1.80 5.24] 0.44 0.49 0.49 0.00 0.49 0.48 0.00 0.47 0.50 0.50 0.36 0.45 0.47 0.00 0.45 0.53 0.48 0.50 0.45 0.46 - 17 [ 0.36 .. 0.53]
703-> ILE 12 HD1* - PHE 33 HE* [ 1.80 3.92] 0.00 0.00 0.59 0.00 1.46 0.00 2.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 1.60 0.00 - 6 [ 0.59 .. 2.00]
706-> ILE 12 HD1* - ARG 20 HB3 [ 1.80 4.06] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 - 2 [ 0.65 .. 0.66]
720-> MET 45 HA - ILE 52 HD1* [ 1.80 4.82] 0.17 0.00 0.03 0.03 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.03 .. 0.58]
724-> ARG 20 HG2 - ILE 22 HD1* [ 1.80 4.55] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 - 2 [ 0.06 .. 0.11]
725-> ARG 20 HG3 - ILE 22 HD1* [ 1.80 3.85] 0.00 0.00 0.00 0.00 0.53 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.21 .. 0.53]
736-> ILE 35 HD1* - ASN 43 HB3 [ 1.80 4.81] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.74 .. 0.74]
747-> ASN 43 HD21 - ILE 54 HD1* [ 1.80 4.53] 0.00 0.00 0.80 0.00 1.05 0.00 0.00 0.00 0.00 0.21 0.00 0.02 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.02 .. 1.05]
750-> ILE 54 HD1* - MET 67 HB2 [ 1.80 4.77] 0.00 0.08 0.17 0.49 0.00 0.00 0.00 0.79 0.00 0.00 0.50 0.00 0.00 0.13 0.00 0.00 0.10 0.42 0.44 0.15 - 10 [ 0.08 .. 0.79]
758-> GLY 74 HN - ILE 88 HD1* [ 1.80 5.35] 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 - 3 [ 0.03 .. 0.22]
759-> ARG 51 HA - ILE 88 HD1* [ 1.80 6.35] 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.36 .. 0.36]
762-> LYS 72 HA - ILE 88 HD1* [ 1.80 6.38] 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.42 0.56 0.00 0.00 0.00 0.00 - 4 [ 0.15 .. 1.07]
771-> VAL 8 HG2* - ILE 88 HD1* [ 1.80 4.43] 0.00 0.00 0.00 1.03 0.00 0.00 2.47 1.28 0.00 0.00 1.00 1.14 0.92 2.50 2.54 2.57 0.00 0.00 1.14 0.00 - 10 [ 0.92 .. 2.57]
772-> LEU 24 HD1* - ILE 88 HD1* [ 1.80 3.27] 0.00 0.00 0.00 0.03 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.02 0.49 0.53 0.46 0.00 0.00 0.00 0.00 - 6 [ 0.02 .. 0.69]
791-> LEU 44 HD2* - GLU 56 HB3 [ 1.80 4.32] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.14 .. 0.14]
807-> ARG 20 HA - ARG 20 HD2 [ 1.80 4.84] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 - 2 [ 0.64 .. 0.66]
816-> PRO 60 HD2 - PRO 81 HG2 [ 1.80 4.83] 0.93 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.20 0.37 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 - 5 [ 0.20 .. 0.93]
817-> PRO 60 HD2 - GLN 62 HG2 [ 1.80 6.22] 1.60 0.00 0.09 0.14 0.24 0.00 0.68 0.14 0.19 0.25 0.10 0.32 0.00 0.00 0.09 0.18 0.00 0.00 0.38 0.16 - 14 [ 0.09 .. 1.60]
820-> LEU 80 HB2 - PRO 81 HD2 [ 1.80 4.39] 0.11 0.14 0.06 0.13 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.14 0.00 0.00 0.00 0.00 0.08 0.00 0.20 0.00 - 8 [ 0.06 .. 0.20]
825-> VAL 104 HB - PRO 105 HD2 [ 1.80 4.45] 0.37 0.00 0.33 0.05 0.15 0.02 0.56 0.40 0.36 0.00 0.00 0.56 0.24 0.30 0.39 0.00 0.00 0.00 0.00 0.29 - 14 [ 0.00 .. 0.56]
827-> ARG 20 HD3 - ILE 22 HD1* [ 1.80 4.80] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.02 .. 0.13]
834-> MET 67 HB3 - LYS 70 HE2 [ 1.80 4.58] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.51 .. 0.51]
836-> MET 67 HB3 - LYS 70 HE3 [ 1.80 4.58] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.75 .. 0.75]
837-> MET 45 HE* - ILE 54 HN [ 1.80 4.91] 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.00 - 2 [ 0.04 .. 0.22]
838-> MET 45 HE* - GLU 46 HN [ 1.80 5.32] 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.00 - 2 [ 0.13 .. 0.14]
841-> ASN 43 HB3 - MET 45 HE* [ 1.80 5.39] 1.23 0.76 0.46 1.10 0.00 0.00 0.78 1.24 1.28 0.19 0.57 2.26 0.00 0.91 1.30 1.17 0.00 0.86 0.39 1.40 - 16 [ 0.19 .. 2.26]
843-> MET 45 HE* - ILE 52 HG13 [ 1.80 5.30] 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 - 2 [ 0.63 .. 0.81]
845-> MET 45 HB3 - MET 45 HE* [ 1.80 3.84] 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 - 2 [ 0.23 .. 0.25]
848-> MET 45 HE* - ILE 52 HG12 [ 1.80 3.80] 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 - 2 [ 1.32 .. 1.56]
850-> MET 45 HE* - ILE 52 HD1* [ 1.80 3.38] 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 - 2 [ 0.87 .. 1.06]
860-> VAL 63 HN - VAL 65 HG2* [ 1.80 5.83] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.31 .. 1.31]
864-> PHE 33 HE* - MET 45 HB3 [ 1.80 5.74] 0.82 0.96 0.75 1.27 1.44 0.31 0.00 0.67 0.76 0.34 0.48 0.44 0.35 0.77 0.93 0.39 0.75 0.73 0.25 0.60 - 19 [ 0.25 .. 1.44]
865-> PHE 33 HE* - MET 45 HB3 [ 1.80 6.11] 0.45 0.59 0.38 0.90 1.07 0.00 0.00 0.30 0.39 0.00 0.11 0.07 0.00 0.40 0.56 0.02 0.38 0.36 0.00 0.23 - 15 [ 0.02 .. 1.07]
868-> TYR 42 HD* - ASP 57 HA [ 1.80 6.27] 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.47 .. 1.47]
869-> TYR 42 HD* - ASP 57 HA [ 1.80 6.56] 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.18 .. 1.18]
893-> ARG 20 HG2 - PHE 33 HE* [ 1.80 6.27] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 - 2 [ 1.72 .. 1.80]
894-> ARG 20 HG2 - PHE 33 HD* [ 1.80 6.21] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 - 2 [ 0.42 .. 0.52]
900-> LEU 44 HB2 - GLU 56 HG3 [ 1.80 6.44] 0.00 0.00 0.23 0.37 0.44 0.00 0.00 0.67 0.68 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.30 0.00 0.00 0.00 - 7 [ 0.23 .. 0.68]
905-> LEU 102 HD1* - VAL 104 HN [ 1.80 6.28] 0.00 0.00 0.00 0.92 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.66 0.35 - 5 [ 0.22 .. 1.20]
919-> VAL 84 HA - PHE 85 HB2 [ 1.80 5.22] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.54 .. 0.54]
926-> VAL 8 HG2* - LEU 24 HA [ 1.80 6.18] 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.73 0.00 0.00 0.73 0.77 0.00 0.74 0.84 0.80 0.00 0.00 0.83 0.00 - 8 [ 0.73 .. 0.89]
928-> ASP 75 HA - THR 76 HG2* [ 1.80 5.26] 0.15 0.00 0.00 0.17 0.22 0.24 0.20 0.00 0.00 0.17 0.19 0.00 0.00 0.00 0.00 0.21 0.00 0.00 0.00 0.00 - 8 [ 0.15 .. 0.24]
935-> THR 25 HA - GLU 50 HG3 [ 1.80 5.64] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.19 .. 0.19]
942-> GLY 64 HA2 - ILE 77 HD1* [ 1.80 5.77] 0.80 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.23 0.00 0.55 0.00 0.00 0.05 0.18 0.00 0.00 0.00 0.00 - 6 [ 0.05 .. 0.80]
943-> GLY 49 HA2 - GLU 50 HG3 [ 1.80 5.73] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.81 0.00 0.00 0.00 - 2 [ 0.81 .. 0.85]
944-> GLY 49 HA3 - GLU 50 HG3 [ 1.80 5.73] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 - 1 [ 0.60 .. 0.60]
947-> PRO 60 HD3 - PRO 81 HB3 [ 1.80 5.28] 1.14 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 - 4 [ 0.39 .. 1.14]
948-> VAL 8 HB - ALA 73 HA [ 1.80 5.34] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.89 0.64 0.00 0.79 0.43 0.20 0.00 0.00 0.82 0.00 - 7 [ 0.20 .. 0.89]
954-> GLY 39 HN - GLN 41 HB2 [ 1.80 5.61] 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.03 .. 0.15]
960-> ILE 35 HG2* - ASN 43 HB2 [ 1.80 5.34] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.41 .. 0.41]
973-> GLU 7 HA - THR 91 HG2* [ 1.80 5.26] 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.50 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.06 .. 0.50]
976-> THR 25 HG2* - GLU 50 HG2 [ 1.80 5.36] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.67 .. 1.67]
987-> PRO 60 HG3 - PRO 81 HB3 [ 1.80 5.39] 2.59 0.00 0.00 0.00 0.68 1.54 0.00 0.31 0.58 0.96 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 - 7 [ 0.31 .. 2.59]
988-> PRO 60 HG2 - PRO 81 HB3 [ 1.80 5.39] 2.53 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.23 .. 2.53]
990-> GLU 7 HG2 - THR 91 HG2* [ 1.80 5.29] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.12 .. 1.12]
991-> GLU 7 HG3 - THR 91 HG2* [ 1.80 5.84] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.24 .. 0.24]
1013-> ILE 54 HD1* - VAL 65 HA [ 1.80 5.16] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.32 .. 0.32]
1017-> ILE 12 HD1* - GLU 21 HB3 [ 1.80 6.18] 0.71 0.69 0.32 0.49 0.23 0.59 0.22 0.61 0.39 0.57 0.60 0.22 0.39 0.43 0.00 0.53 0.64 0.53 0.12 0.59 - 19 [ 0.12 .. 0.71]
1020-> PHE 33 HZ - MET 45 HG2 [ 1.80 5.39] 2.53 2.25 1.87 2.85 2.48 1.61 3.81 1.76 5.57 1.31 1.56 1.31 1.15 1.83 1.91 1.26 2.01 2.12 4.38 1.83 - 20 [ 1.15 .. 5.57]
1022-> PRO 81 HG2 - HIS 82 HD2 [ 1.80 5.77] 1.90 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.00 .. 1.90]
1026-> ARG 51 HG3 - SER 71 HB3 [ 1.80 5.97] 0.00 1.27 0.00 0.00 0.00 0.49 0.00 0.00 0.89 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.49 .. 1.27]
1027-> PHE 33 HZ - MET 45 HE* [ 1.80 5.20] 3.37 3.47 3.12 3.88 3.98 1.61 2.73 3.16 3.24 2.34 2.76 2.87 2.53 3.30 3.40 2.52 2.22 3.21 3.33 3.00 - 20 [ 1.61 .. 3.98]
1032-> ILE 11 HA - GLU 21 HB3 [ 1.80 5.30] 0.00 0.11 0.04 0.27 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.08 - 6 [ 0.01 .. 0.27]
1049-> ASN 15 HA - LYS 17 HG2 [ 1.80 6.12] 2.49 1.64 0.00 1.41 1.16 1.57 1.40 1.51 2.43 1.66 1.33 2.33 1.50 0.00 1.48 1.63 1.43 1.62 2.46 1.62 - 18 [ 1.16 .. 2.49]
1054-> GLN 14 HG2 - ASN 15 HB3 [ 1.80 5.52] 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.59 .. 0.59]
1059-> ILE 19 HD1* - PHE 33 HE* [ 1.80 6.46] 0.00 0.00 0.00 0.00 0.00 0.00 3.25 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 0.00 - 3 [ 2.45 .. 3.25]
1060-> ILE 19 HD1* - PHE 33 HD* [ 1.80 7.07] 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 - 3 [ 0.35 .. 1.17]
1065-> ILE 19 HG2* - ARG 20 HB2 [ 1.80 6.12] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 - 2 [ 0.47 .. 0.51]
1066-> ARG 20 HB3 - ILE 22 HD1* [ 1.80 5.26] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 - 2 [ 0.06 .. 0.19]
1074-> ILE 22 HG2* - PHE 33 HE* [ 1.80 5.83] 1.51 1.91 1.84 1.77 1.81 1.80 0.00 1.83 0.00 1.04 2.04 1.07 1.76 1.69 2.00 1.38 1.78 0.99 0.00 1.88 - 17 [ 0.99 .. 2.04]
1093-> GLU 31 HG2 - VAL 47 HG2* [ 1.80 5.51] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.20 .. 1.20]
1102-> HIS 82 HN - LYS 83 HG3 [ 1.80 6.07] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.41 .. 0.41]
1109-> GLN 41 HB2 - HIS 82 HD2 [ 1.80 5.89] 0.00 0.00 0.00 0.00 0.09 0.00 1.58 0.00 1.95 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 1.59 0.00 - 5 [ 0.09 .. 1.95]
1110-> ILE 35 HN - TYR 42 HA [ 1.80 5.44] 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.24 0.19 0.02 - 6 [ 0.01 .. 0.24]
1113-> TYR 42 HE* - LEU 44 HB3 [ 1.80 5.22] 4.96 0.00 0.00 0.00 4.32 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 3.86 .. 4.96]
1114-> TYR 42 HD* - LEU 44 HB3 [ 1.80 5.78] 2.37 0.00 0.00 0.00 1.75 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 1.34 .. 2.37]
1120-> ASN 30 HD22 - ASP 48 HB3 [ 1.80 5.78] 0.14 0.50 0.00 0.00 1.03 0.76 0.00 0.38 0.00 0.84 1.00 0.53 0.00 0.12 0.29 0.97 0.80 0.00 0.00 1.47 - 13 [ 0.12 .. 1.47]
1122-> THR 25 HG2* - GLU 50 HG3 [ 1.80 5.91] 0.46 0.00 0.06 0.38 0.00 0.00 0.00 0.10 0.00 0.00 0.25 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.34 0.00 - 7 [ 0.06 .. 0.96]
1132-> TYR 42 HE* - ASN 58 HA [ 1.80 5.47] 4.85 0.40 0.00 0.00 2.12 0.00 1.57 3.65 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.03 - 8 [ 0.03 .. 4.85]
1136-> ARG 51 HG2 - SER 71 HB3 [ 1.80 5.52] 0.00 1.14 0.00 0.00 0.00 0.40 0.00 0.00 0.71 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.40 .. 1.14]
1137-> LEU 24 HB2 - SER 71 HB2 [ 1.80 6.99] 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.40 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.37 .. 0.40]
1139-> LEU 24 HB3 - SER 71 HB3 [ 1.80 6.29] 0.00 0.03 0.00 0.00 0.00 0.84 0.00 0.00 0.73 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.03 .. 0.84]
1142-> GLY 74 HA3 - THR 76 HG2* [ 1.80 6.15] 0.83 0.00 0.00 1.27 1.30 1.45 1.37 0.18 0.00 1.22 0.64 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 - 9 [ 0.18 .. 1.45]
1143-> GLY 74 HA2 - THR 76 HG2* [ 1.80 5.76] 0.35 0.00 0.00 0.80 0.81 1.19 0.92 0.00 0.00 0.68 0.04 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 - 8 [ 0.04 .. 1.19]
1145-> THR 76 HG2* - VAL 86 HG1* [ 1.80 5.74] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.13 .. 0.13]
1146-> THR 76 HG2* - ILE 88 HD1* [ 1.80 6.44] 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.16 .. 0.19]
1148-> GLY 64 HN - ILE 77 HG2* [ 1.80 5.46] 1.11 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.30 0.00 0.50 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.01 .. 1.11]
1150-> ILE 35 HB - MET 45 HG2 [ 1.80 5.85] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.15 .. 0.15]
1152-> LEU 80 HB3 - PRO 81 HG3 [ 1.80 5.16] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.33 .. 0.33]
1154-> PRO 60 HD2 - PRO 81 HB3 [ 1.80 5.16] 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.59 .. 0.59]
1155-> PRO 60 HD2 - PRO 81 HG3 [ 1.80 4.98] 1.16 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.00 - 4 [ 0.37 .. 1.16]
1157-> ASP 61 HN - PRO 81 HG2 [ 1.80 5.85] 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.87 .. 0.87]
1159-> VAL 84 HG1* - PHE 85 HB3 [ 1.80 5.27] 0.11 0.00 0.20 0.00 0.00 0.05 0.19 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.08 0.00 - 7 [ 0.02 .. 0.20]
1167-> ASP 48 HB3 - ARG 51 HG3 [ 1.80 5.76] 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.81 .. 0.81]
1168-> ASP 48 HB2 - ARG 51 HG2 [ 1.80 6.85] 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 2.36 .. 2.36]
1178-> ILE 11 HA - ILE 12 HD1* [ 1.80 4.60] 0.49 0.44 0.36 0.55 0.47 0.38 0.46 0.47 0.38 0.38 0.33 0.47 0.37 0.46 0.00 0.48 0.42 0.47 0.49 0.49 - 19 [ 0.33 .. 0.55]
1187-> ILE 19 HD1* - ARG 20 HB2 [ 1.80 4.85] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 - 2 [ 0.58 .. 0.65]
1215-> GLY 64 HN - MET 67 HG3 [ 1.80 6.79] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.37 .. 0.37]
1220-> GLY 37 HN - GLN 41 HB3 [ 1.80 5.73] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 - 1 [ 0.12 .. 0.12]
1245-> ASN 43 HD22 - ILE 54 HD1* [ 1.80 4.53] 0.00 0.00 0.69 0.00 0.73 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.08 .. 0.73]
1251-> SER 71 HN - ILE 88 HD1* [ 1.80 4.86] 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.43 .. 0.43]
1252-> LYS 72 HN - ILE 88 HD1* [ 1.80 4.49] 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.18 0.54 0.56 0.78 0.00 0.00 0.00 0.00 - 5 [ 0.18 .. 0.82]
1263-> VAL 47 HN - ILE 52 HD1* [ 1.80 5.32] 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.07 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.08 0.00 - 4 [ 0.02 .. 0.10]
1267-> SER 59 HN - VAL 65 HG2* [ 1.80 5.60] 0.00 0.00 0.00 0.00 0.37 0.07 0.00 0.60 0.00 0.02 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.02 .. 1.51]
1269-> GLN 62 HE21 - VAL 65 HG2* [ 1.80 5.34] 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.09 0.00 0.00 0.00 0.17 0.00 - 4 [ 0.05 .. 1.47]
1270-> ASP 57 HN - VAL 65 HG2* [ 1.80 4.19] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.36 0.10 0.00 - 3 [ 0.09 .. 0.36]
1271-> GLN 62 HN - VAL 65 HG2* [ 1.80 6.36] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.12 .. 1.12]
1272-> VAL 65 HN - VAL 65 HG2* [ 1.80 3.43] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.33 .. 0.33]
1273-> GLN 62 HE22 - VAL 65 HG2* [ 1.80 5.34] 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.06 0.00 0.49 0.00 - 4 [ 0.06 .. 1.16]
1275-> GLY 64 HN - VAL 65 HG2* [ 1.80 5.32] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.68 .. 0.68]
1287-> ASN 43 HD22 - ILE 54 HG2* [ 1.80 4.34] 0.00 0.00 1.51 0.00 1.32 0.53 0.00 0.00 0.00 0.76 0.00 0.62 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 6 [ 0.53 .. 1.51]
1291-> ASN 43 HD21 - ILE 54 HG2* [ 1.80 4.34] 0.00 0.00 1.44 0.28 1.44 0.00 0.00 0.32 0.00 0.86 0.02 0.32 0.98 0.15 0.00 0.00 0.00 0.16 0.00 0.00 - 10 [ 0.02 .. 1.44]
1296-> ASP 75 HN - ILE 88 HG13 [ 1.80 5.80] 0.00 0.00 0.00 0.27 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.08 0.47 0.47 0.51 0.00 0.00 0.00 0.00 - 6 [ 0.08 .. 0.51]
1301-> GLU 87 HN - ILE 88 HG13 [ 1.80 5.26] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.03 0.00 0.00 0.00 0.00 - 3 [ 0.00 .. 0.19]
1305-> VAL 9 HG2* - LYS 89 HN [ 1.80 3.90] 0.00 1.04 1.13 1.19 1.16 1.01 1.37 1.29 0.00 1.07 1.37 1.39 1.14 1.46 1.30 1.32 1.06 1.13 1.34 1.03 - 18 [ 1.01 .. 1.46]
1308-> GLY 74 HN - ILE 88 HG13 [ 1.80 6.36] 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.01 0.19 0.00 0.00 0.00 0.00 - 4 [ 0.01 .. 0.19]
1310-> ILE 11 HD1* - GLU 21 HN [ 1.80 6.12] 1.06 1.08 1.36 0.00 1.54 1.04 0.00 1.16 1.15 1.06 1.24 1.34 1.32 0.00 0.86 1.00 1.13 1.14 1.29 1.45 - 17 [ 0.86 .. 1.54]
1312-> ILE 77 HD1* - VAL 78 HN [ 1.80 4.70] 0.56 0.46 0.00 0.46 0.57 0.47 0.54 0.53 0.50 0.60 0.53 0.50 0.44 0.42 0.25 0.58 0.41 0.00 0.39 0.55 - 18 [ 0.25 .. 0.60]
1313-> VAL 8 HG1* - GLN 92 HN [ 1.80 5.90] 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.80 0.00 0.00 0.82 0.66 0.00 0.39 0.39 0.40 0.00 0.00 0.34 0.00 - 8 [ 0.34 .. 0.82]
1314-> VAL 8 HG1* - THR 91 HN [ 1.80 4.14] 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.09 0.00 0.00 0.91 0.98 0.00 0.69 0.76 0.85 0.00 0.00 0.83 0.00 - 8 [ 0.69 .. 1.09]
1315-> VAL 8 HG1* - ALA 73 HN [ 1.80 3.69] 0.00 0.00 0.00 0.00 0.00 0.22 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.22 .. 0.34]
1318-> GLY 64 HN - ILE 77 HD1* [ 1.80 7.62] 1.25 0.00 0.00 0.00 0.00 0.44 0.26 0.00 0.19 0.66 0.00 0.97 0.00 0.00 0.43 0.47 0.00 0.00 0.00 0.00 - 8 [ 0.19 .. 1.25]
1319-> GLU 7 HN - VAL 8 HG1* [ 1.80 4.49] 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 0.00 2.01 2.11 0.00 1.97 2.14 2.12 0.13 0.00 2.05 0.00 - 9 [ 0.13 .. 2.14]
1322-> VAL 65 HG1* - GLY 68 HN [ 1.80 5.26] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.24 .. 0.24]
1325-> MET 67 HN - ILE 77 HD1* [ 1.80 6.29] 0.00 0.18 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.60 0.08 - 5 [ 0.08 .. 0.60]
1327-> GLN 14 HE21 - ILE 35 HG2* [ 1.80 4.13] 0.77 0.00 0.00 0.00 2.26 0.00 1.82 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.24 .. 2.26]
1330-> GLN 14 HE22 - ILE 35 HG2* [ 1.80 3.99] 0.25 0.00 0.00 0.00 1.57 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.25 .. 1.57]
1336-> VAL 8 HG2* - THR 25 HN [ 1.80 3.92] 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.69 0.00 0.00 0.65 0.74 0.00 0.78 0.66 0.65 0.00 0.00 0.60 0.00 - 8 [ 0.60 .. 0.81]
1354-> ILE 12 HD1* - GLU 21 HN [ 1.80 4.61] 0.71 0.68 0.32 0.33 0.09 0.59 0.02 0.63 0.43 0.63 0.43 0.39 0.39 0.29 0.00 0.61 0.65 0.52 0.50 0.56 - 19 [ 0.02 .. 0.71]
1357-> ILE 12 HN - ILE 12 HD1* [ 1.80 3.75] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.03 0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.11 0.00 - 7 [ 0.00 .. 0.11]
1373-> LEU 102 HD1* - ILE 103 HN [ 1.80 4.91] 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.35 .. 0.76]
1388-> VAL 78 HN - VAL 78 HG2* [ 1.80 3.46] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.44 .. 0.44]
1390-> VAL 78 HG1* - CYS 79 HN [ 1.80 3.52] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.42 .. 0.42]
1409-> THR 34 HG2* - LEU 44 HN [ 1.80 5.60] 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.25 .. 0.25]
1412-> THR 34 HG2* - TYR 42 HN [ 1.80 6.64] 0.00 0.21 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.35 0.46 - 6 [ 0.21 .. 0.93]
1417-> THR 34 HG2* - ASN 43 HN [ 1.80 4.15] 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.29 .. 0.29]
1421-> GLU 7 HN - THR 91 HG2* [ 1.80 5.81] 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.08 .. 0.22]
1433-> ILE 11 HN - ILE 88 HG12 [ 1.80 5.34] 0.00 0.00 0.00 0.16 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.21 0.39 0.07 0.51 0.00 0.00 0.00 0.00 - 6 [ 0.07 .. 0.58]
1435-> THR 76 HG2* - GLU 87 HN [ 1.80 5.43] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.48 .. 0.48]
1439-> THR 76 HG2* - ILE 88 HN [ 1.80 3.70] 1.43 0.00 0.00 1.20 1.17 1.33 0.49 1.04 0.00 1.05 1.15 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.21 - 10 [ 0.21 .. 1.43]
1440-> ASP 75 HN - THR 76 HG2* [ 1.80 5.39] 1.22 0.00 0.00 1.28 1.28 1.28 1.30 0.07 0.00 1.24 1.06 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 - 9 [ 0.07 .. 1.30]
1443-> ARG 20 HG3 - ILE 22 HN [ 1.80 4.63] 0.00 0.00 0.00 0.00 1.01 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 - 3 [ 0.01 .. 1.01]
1444-> LYS 28 HN - LYS 28 HG3 [ 1.80 4.39] 0.00 0.30 0.00 0.00 0.00 0.12 0.00 0.00 0.12 0.00 0.16 0.05 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 - 6 [ 0.05 .. 0.30]
1458-> ASP 48 HN - ARG 51 HG3 [ 1.80 5.54] 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.24 .. 0.24]
1460-> GLN 14 HN - LYS 17 HG3 [ 1.80 4.97] 0.91 0.75 1.52 0.48 0.37 0.80 1.07 0.79 1.05 0.80 0.74 1.11 0.65 0.00 0.70 0.78 1.00 0.85 1.06 0.97 - 19 [ 0.37 .. 1.52]
1473-> LYS 17 HN - LYS 17 HG3 [ 1.80 4.44] 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 - 4 [ 0.18 .. 0.34]
1484-> ALA 40 HB* - ASN 58 HD21 [ 1.80 4.72] 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.82 .. 0.82]
1486-> SER 95 HN - LYS 96 HG2 [ 1.80 6.37] 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 - 2 [ 0.16 .. 0.62]
1487-> SER 95 HN - LYS 96 HG3 [ 1.80 6.37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.42 0.00 0.80 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.54 - 5 [ 0.42 .. 1.11]
1488-> ALA 40 HB* - ASN 58 HD22 [ 1.80 4.72] 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.79 .. 0.79]
1493-> LYS 93 HN - LYS 93 HG3 [ 1.80 4.72] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.00 - 1 [ 0.15 .. 0.15]
1494-> LYS 17 HN - LYS 17 HG2 [ 1.80 4.39] 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 - 4 [ 0.05 .. 0.14]
1500-> ILE 11 HG12 - LYS 89 HN [ 1.80 5.36] 0.00 0.24 0.44 0.00 0.00 0.03 0.00 0.61 0.30 0.21 0.27 0.00 0.09 0.00 1.02 0.79 0.10 0.08 0.07 0.00 - 13 [ 0.03 .. 1.02]
1502-> ASN 15 HN - LYS 17 HG2 [ 1.80 6.35] 1.64 1.84 0.26 1.64 1.44 1.74 1.64 1.79 1.83 1.87 1.66 1.75 1.75 0.00 1.75 1.85 1.76 1.88 1.81 1.90 - 19 [ 0.26 .. 1.90]
1514-> MET 45 HE* - ARG 53 HN [ 1.80 5.24] 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 - 2 [ 1.16 .. 1.33]
1525-> ASP 48 HN - ARG 51 HG2 [ 1.80 5.96] 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.59 .. 0.59]
1551-> GLY 37 HN - GLN 41 HB2 [ 1.80 4.77] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 - 3 [ 0.00 .. 0.89]
1555-> LYS 93 HD2 - ASP 94 HN [ 1.80 6.23] 0.47 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.36 0.00 - 4 [ 0.36 .. 0.48]
1556-> LYS 93 HD3 - ASP 94 HN [ 1.80 6.23] 0.28 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.48 0.00 - 4 [ 0.26 .. 0.48]
1563-> VAL 65 HB - LYS 66 HN [ 1.80 3.47] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.66 .. 0.66]
1566-> ASN 15 HN - LYS 83 HD3 [ 1.80 5.60] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.24 .. 0.24]
1595-> VAL 9 HB - LEU 24 HN [ 1.80 5.22] 0.00 0.07 0.05 0.14 0.01 0.00 0.08 0.00 0.00 0.04 0.00 0.01 0.00 0.00 0.01 0.06 0.01 0.08 0.14 0.00 - 13 [ 0.00 .. 0.14]
1608-> ILE 103 HN - ILE 103 HB [ 1.80 3.52] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.00 - 1 [ 0.14 .. 0.14]
1612-> VAL 8 HB - LYS 89 HN [ 1.80 4.78] 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.37 0.00 0.00 1.61 1.66 0.00 1.16 1.13 1.27 0.00 0.00 1.65 0.00 - 8 [ 1.13 .. 1.66]
1613-> LYS 17 HB2 - VAL 18 HN [ 1.80 4.00] 0.28 0.10 0.00 0.21 0.17 0.06 0.11 0.02 0.23 0.03 0.07 0.14 0.07 0.00 0.07 0.08 0.00 0.00 0.23 0.00 - 15 [ 0.02 .. 0.28]
1616-> VAL 8 HB - THR 91 HN [ 1.80 5.69] 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.61 0.00 0.00 0.45 0.52 0.00 0.31 0.41 0.42 0.00 0.00 0.46 0.00 - 8 [ 0.31 .. 0.61]
1618-> VAL 8 HB - VAL 9 HN [ 1.80 3.60] 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.52 0.00 0.00 0.54 0.52 0.00 0.51 0.57 0.54 0.00 0.00 0.54 0.00 - 8 [ 0.51 .. 0.57]
1620-> THR 25 HN - GLU 50 HB3 [ 1.80 5.23] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 - 1 [ 1.02 .. 1.02]
1643-> GLU 7 HB2 - THR 91 HN [ 1.80 4.96] 0.00 0.42 0.00 0.35 0.33 0.00 0.16 0.00 0.31 0.34 0.00 0.00 0.37 0.13 0.00 0.05 0.36 0.00 0.19 0.00 - 11 [ 0.05 .. 0.42]
1668-> PRO 60 HG3 - ASP 61 HN [ 1.80 4.50] 0.00 0.18 0.00 0.00 0.00 0.00 0.16 0.21 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 - 5 [ 0.16 .. 0.21]
1669-> ASP 61 HN - PRO 81 HG3 [ 1.80 4.91] 2.62 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.39 .. 2.62]
1686-> GLU 56 HG3 - ASP 57 HN [ 1.80 4.77] 0.34 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.18 0.00 0.23 0.00 0.00 0.00 0.00 0.28 0.00 - 5 [ 0.17 .. 0.34]
1688-> ASN 30 HD21 - GLU 46 HG3 [ 1.80 5.47] 0.00 0.00 0.00 0.00 2.55 0.96 0.00 0.00 0.00 0.71 1.53 0.73 0.00 0.00 0.00 0.95 0.70 0.00 0.00 1.52 - 8 [ 0.70 .. 2.55]
1693-> ASN 30 HD22 - GLU 46 HG3 [ 1.80 5.19] 0.00 0.00 0.00 0.00 2.74 1.72 0.00 0.00 0.00 1.32 2.19 1.53 0.00 0.00 0.00 1.46 1.35 0.00 0.00 1.85 - 8 [ 1.32 .. 2.74]
1694-> GLN 14 HG2 - ASN 15 HD22 [ 1.80 5.31] 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 1.14 - 3 [ 1.04 .. 1.18]
1695-> GLN 14 HG2 - ASN 15 HD21 [ 1.80 5.23] 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.18 - 3 [ 0.03 .. 0.18]
1699-> ILE 35 HN - MET 45 HG2 [ 1.80 5.66] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.39 .. 0.39]
1709-> GLU 7 HN - GLU 7 HG3 [ 1.80 4.03] 0.00 0.44 0.00 0.40 0.63 0.00 0.26 0.00 0.39 0.49 0.00 0.00 0.52 0.36 0.00 0.40 0.38 0.00 0.42 0.00 - 11 [ 0.26 .. 0.63]
1723-> GLN 14 HG3 - ASN 15 HD22 [ 1.80 7.37] 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.81 - 3 [ 0.70 .. 0.81]
1728-> ASN 30 HD21 - GLU 46 HG2 [ 1.80 5.47] 0.00 0.00 0.00 0.00 2.68 1.37 0.00 0.00 0.00 1.07 1.78 1.03 0.00 0.00 0.00 1.34 1.16 0.00 0.00 1.65 - 8 [ 1.03 .. 2.68]
1729-> ASN 30 HD22 - GLU 46 HG2 [ 1.80 5.19] 0.00 0.00 0.00 0.00 2.54 1.69 0.00 0.00 0.00 1.24 2.06 1.36 0.00 0.00 0.00 1.43 1.36 0.00 0.00 1.59 - 8 [ 1.24 .. 2.54]
1738-> ASN 30 HD21 - ASP 48 HB2 [ 1.80 4.88] 0.00 0.00 0.00 0.00 2.25 1.22 0.00 0.00 0.00 1.18 1.57 0.92 0.00 0.00 0.00 1.46 1.21 0.00 0.00 2.42 - 8 [ 0.92 .. 2.42]
1739-> ASN 30 HD22 - ASP 48 HB2 [ 1.80 4.78] 0.00 0.00 0.00 0.00 1.42 0.52 0.00 0.00 0.00 0.35 0.89 0.19 0.00 0.00 0.00 0.62 0.42 0.00 0.00 1.60 - 8 [ 0.19 .. 1.60]
1744-> CYS 79 HB2 - VAL 84 HN [ 1.80 4.85] 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.07 0.00 0.00 0.06 0.05 0.00 0.17 - 6 [ 0.01 .. 0.17]
1747-> HIS 27 HN - GLU 50 HG3 [ 1.80 5.58] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.73 .. 1.73]
1750-> GLY 26 HN - GLU 50 HG3 [ 1.80 5.06] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.73 .. 1.73]
1755-> ASN 30 HD21 - ASP 48 HB3 [ 1.80 4.93] 1.11 1.39 0.00 0.00 2.89 2.58 0.00 1.30 0.00 2.70 2.80 2.38 0.00 0.94 1.27 2.86 2.66 0.58 0.00 3.29 - 14 [ 0.58 .. 3.29]
1757-> ASP 48 HB3 - ARG 51 HE [ 1.80 6.01] 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.00 .. 2.17]
1759-> ASN 30 HD22 - GLN 32 HG2 [ 1.80 5.00] 0.00 0.00 0.00 0.00 3.82 2.88 0.00 0.00 0.00 2.84 2.66 2.90 0.00 0.00 0.00 2.86 2.53 0.00 0.00 3.11 - 8 [ 2.53 .. 3.82]
1773-> MET 67 HN - MET 67 HG2 [ 1.80 3.98] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.63 .. 0.63]
1777-> HIS 27 HN - GLU 50 HG2 [ 1.80 4.45] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 1.90 0.00 0.00 0.00 - 2 [ 1.90 .. 2.30]
1778-> GLY 26 HN - GLU 50 HG2 [ 1.80 4.57] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 1.25 0.00 0.00 0.00 - 2 [ 1.25 .. 1.75]
1783-> TYR 42 HB2 - ASN 43 HN [ 1.80 4.09] 0.00 0.00 0.00 0.00 0.17 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.02 .. 0.17]
1786-> LEU 44 HN - ASP 57 HB3 [ 1.80 4.83] 0.01 0.55 0.00 0.00 0.00 0.82 0.57 0.00 0.00 0.00 0.00 1.15 0.00 0.59 0.00 0.98 0.00 0.00 0.00 0.38 - 8 [ 0.01 .. 1.15]
1787-> ASP 57 HB3 - SER 59 HN [ 1.80 5.30] 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.44 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.41 .. 0.51]
1790-> ASN 43 HD21 - ASP 57 HB3 [ 1.80 4.86] 0.00 0.00 0.72 0.09 0.61 0.00 0.00 0.00 0.00 0.65 0.16 2.06 0.76 2.06 0.00 0.00 0.00 0.42 0.38 0.00 - 10 [ 0.09 .. 2.06]
1791-> ASN 43 HD22 - ASP 57 HB3 [ 1.80 4.86] 0.00 0.00 0.47 0.00 0.16 0.00 0.48 0.00 0.00 0.04 0.00 3.42 0.26 1.85 0.00 0.00 0.00 0.19 0.22 0.00 - 9 [ 0.04 .. 3.42]
1807-> ARG 20 HD2 - GLU 21 HN [ 1.80 5.39] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 - 2 [ 0.36 .. 0.49]
1811-> SER 13 HN - PHE 85 HB3 [ 1.80 5.06] 0.14 0.00 0.26 0.17 0.13 0.13 0.00 0.00 0.14 0.00 0.00 0.92 0.00 0.00 0.09 0.11 0.00 0.00 0.17 0.00 - 11 [ 0.00 .. 0.92]
1815-> PHE 33 HB2 - THR 34 HN [ 1.80 3.84] 0.48 0.48 0.35 0.35 0.39 0.36 0.33 0.48 0.45 0.42 0.50 0.44 0.26 0.47 0.47 0.36 0.48 0.51 0.52 0.46 - 20 [ 0.26 .. 0.52]
1821-> ASN 15 HB2 - LYS 17 HN [ 1.80 5.07] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.39 .. 0.39]
1829-> MET 67 HG3 - VAL 78 HN [ 1.80 5.47] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.74 .. 1.98]
1830-> MET 67 HN - MET 67 HG3 [ 1.80 4.22] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.23 .. 0.23]
1834-> GLN 14 HE21 - GLY 37 HA3 [ 1.80 4.86] 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 1.17 0.00 0.00 0.00 0.00 0.29 0.38 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.29 .. 1.17]
1844-> ARG 53 HE - LYS 55 HA [ 1.80 5.03] 0.19 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.41 0.00 0.31 - 5 [ 0.19 .. 0.47]
1847-> ASP 57 HB2 - ASN 58 HN [ 1.80 3.97] 0.00 0.14 0.00 0.00 0.00 0.01 0.19 0.00 0.00 0.00 0.00 0.65 0.00 0.31 0.00 0.37 0.00 0.00 0.00 0.24 - 7 [ 0.01 .. 0.65]
1848-> ASN 43 HD22 - ASP 57 HB2 [ 1.80 5.21] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 1.85 0.00 0.15 0.00 0.00 0.00 0.09 0.60 0.00 - 5 [ 0.09 .. 1.85]
1849-> LEU 44 HN - ASP 57 HB2 [ 1.80 5.67] 0.06 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.06 .. 0.51]
1850-> ASP 57 HB2 - SER 59 HN [ 1.80 5.09] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.29 0.00 0.42 0.00 0.00 0.00 0.00 - 3 [ 0.29 .. 0.56]
1854-> ALA 73 HA - ILE 88 HN [ 1.80 6.15] 0.00 0.00 0.00 0.00 0.00 0.18 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.05 .. 0.18]
1857-> GLN 62 HA - GLN 62 HE22 [ 1.80 5.05] 1.00 0.00 0.00 1.08 0.00 0.59 0.00 0.00 1.03 0.00 0.43 1.02 0.38 1.08 0.00 1.00 1.04 0.57 1.04 0.85 - 13 [ 0.38 .. 1.08]
1865-> ILE 52 HN - SER 71 HB3 [ 1.80 5.45] 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.00 .. 0.33]
1870-> ARG 51 HN - SER 71 HB3 [ 1.80 6.11] 0.00 0.87 0.00 0.00 0.00 0.57 0.00 0.00 0.74 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.57 .. 0.92]
1892-> THR 76 HB - VAL 86 HN [ 1.80 5.30] 1.67 0.00 0.00 1.66 0.86 0.89 0.99 0.50 0.00 1.29 1.91 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 - 9 [ 0.50 .. 1.91]
1898-> THR 76 HB - ILE 77 HN [ 1.80 3.70] 0.54 0.00 0.00 0.52 0.50 0.60 0.47 0.34 0.00 0.49 0.54 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 - 9 [ 0.34 .. 0.60]
1912-> THR 100 HA - ASP 101 HN [ 1.80 3.34] 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.17 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.10 - 4 [ 0.10 .. 0.17]
1926-> GLN 92 HA - LYS 93 HN [ 1.80 3.13] 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.00 - 2 [ 0.15 .. 0.38]
1929-> GLN 14 HE22 - GLY 37 HA2 [ 1.80 4.27] 0.06 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.06 .. 1.28]
1930-> GLN 14 HE21 - GLY 37 HA2 [ 1.80 4.42] 0.00 0.00 0.00 0.00 1.30 0.00 2.75 0.34 0.85 0.00 1.04 0.00 0.00 0.00 0.07 0.00 0.00 0.00 0.22 0.00 - 7 [ 0.07 .. 2.75]
1931-> SER 95 HA - LYS 96 HN [ 1.80 3.35] 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.13 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 - 4 [ 0.05 .. 0.15]
1988-> THR 25 HN - GLU 50 HA [ 1.80 4.85] 0.05 0.00 0.31 0.53 0.00 0.00 0.23 0.14 0.00 0.00 0.17 0.00 0.05 0.00 0.00 0.06 0.00 0.00 0.31 0.00 - 9 [ 0.05 .. 0.53]
1990-> ASN 43 HA - ASN 43 HD22 [ 1.80 4.83] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.35 .. 0.35]
2004-> GLY 74 HN - LYS 89 HA [ 1.80 5.34] 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.29 .. 0.29]
2019-> GLY 74 HN - ILE 88 HA [ 1.80 5.77] 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.36 .. 0.36]
2020-> GLN 41 HE21 - HIS 82 HA [ 1.80 5.29] 0.00 0.00 1.03 0.58 0.00 3.23 0.00 0.50 1.70 2.40 0.00 2.55 0.00 1.00 0.81 0.66 0.00 1.88 0.00 0.00 - 11 [ 0.50 .. 3.23]
2026-> ASN 58 HA - GLN 62 HE22 [ 1.80 5.16] 4.44 0.00 0.00 0.49 0.00 1.26 0.00 0.00 1.03 0.00 0.00 1.73 0.23 0.00 0.00 0.79 1.26 0.01 1.00 0.00 - 10 [ 0.01 .. 4.44]
2027-> ASN 58 HA - GLN 62 HE21 [ 1.80 5.16] 2.85 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.14 .. 2.85]
2056-> GLN 14 HE22 - TYR 42 HA [ 1.80 5.73] 0.99 0.00 0.46 0.03 1.71 0.00 0.60 0.66 0.60 0.00 0.00 0.00 0.00 0.07 0.10 0.00 0.13 0.00 0.00 0.00 - 10 [ 0.03 .. 1.71]
2073-> GLN 41 HE22 - HIS 82 HD2 [ 1.80 5.06] 1.80 0.64 0.00 0.00 0.68 1.14 3.91 0.00 3.32 0.52 1.80 0.47 0.00 0.00 3.16 0.00 0.00 0.08 2.89 0.00 - 12 [ 0.08 .. 3.91]
2074-> TYR 42 HE* - ASN 58 HN [ 1.80 5.61] 4.46 0.00 0.00 0.00 1.60 0.00 0.42 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.42 .. 4.46]
2075-> TYR 42 HE* - LEU 44 HN [ 1.80 5.03] 4.26 0.00 0.00 0.00 3.41 0.00 0.00 3.50 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.60 .. 4.26]
2076-> TYR 42 HN - TYR 42 HE* [ 1.80 5.50] 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.94 .. 0.94]
2077-> TYR 42 HE* - ASN 58 HD21 [ 1.80 5.03] 2.46 0.00 0.00 0.00 0.00 0.00 1.62 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 - 4 [ 0.57 .. 3.05]
2078-> ARG 53 HE - TRP 69 HH2 [ 1.80 5.57] 0.00 0.84 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.83 .. 0.84]
2081-> SER 59 HN - GLN 62 HE22 [ 1.80 4.44] 4.27 0.00 0.00 0.69 0.00 1.11 0.00 0.00 0.77 0.00 0.98 1.65 0.52 0.00 0.00 0.80 1.55 0.19 1.17 0.96 - 12 [ 0.19 .. 4.27]
2082-> PHE 33 HD* - VAL 47 HN [ 1.80 6.53] 0.63 1.12 1.15 1.19 1.29 1.07 0.00 1.07 0.00 1.02 1.22 1.08 1.06 1.09 1.21 1.05 1.12 0.82 0.00 1.05 - 17 [ 0.63 .. 1.29]
2083-> PHE 33 HE* - VAL 47 HN [ 1.80 6.90] 2.38 2.88 2.89 2.95 3.06 2.83 0.00 2.83 0.00 2.78 3.00 2.84 2.81 2.84 2.97 2.82 2.87 2.56 0.00 2.81 - 17 [ 2.38 .. 3.06]
2084-> PHE 33 HN - PHE 33 HD* [ 1.80 3.98] 0.41 0.40 0.36 0.37 0.41 0.36 0.00 0.37 0.00 0.35 0.43 0.38 0.27 0.40 0.38 0.35 0.40 0.40 0.00 0.39 - 17 [ 0.27 .. 0.43]
2086-> GLN 32 HN - PHE 33 HD* [ 1.80 5.45] 1.14 0.95 0.99 0.92 0.86 1.09 0.00 1.02 0.00 1.12 0.93 1.06 1.14 1.00 0.94 1.14 0.95 1.14 0.00 1.06 - 17 [ 0.86 .. 1.14]
2087-> PHE 33 HE* - MET 45 HN [ 1.80 5.90] 0.17 0.20 0.12 0.34 0.32 0.00 1.07 0.00 1.52 0.01 0.04 0.00 0.00 0.11 0.00 0.01 0.08 0.03 1.37 0.04 - 16 [ 0.00 .. 1.52]
2089-> PHE 33 HD* - ILE 35 HN [ 1.80 5.65] 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 - 3 [ 1.27 .. 1.40]
2091-> TYR 42 HD* - LEU 44 HN [ 1.80 4.66] 2.54 0.00 0.00 0.00 1.63 0.00 0.08 1.82 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.08 .. 2.54]
2092-> TYR 42 HN - TYR 42 HD* [ 1.80 4.19] 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.25 .. 0.25]
2093-> TYR 42 HD* - ASN 58 HD21 [ 1.80 5.05] 0.62 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 - 4 [ 0.06 .. 1.92]
2095-> TYR 42 HD* - ASN 58 HN [ 1.80 5.50] 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.33 .. 2.62]
2106-> ILE 77 HN - PHE 85 HE* [ 1.80 8.05] 0.09 0.00 0.00 0.00 0.00 0.00 0.15 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 - 4 [ 0.09 .. 0.75]
2107-> PHE 85 HD* - GLU 87 HN [ 1.80 5.50] 1.54 0.00 1.44 1.08 1.15 1.17 1.24 1.01 1.61 0.00 0.00 0.00 0.00 0.00 1.49 1.37 0.00 0.00 1.55 0.00 - 11 [ 1.01 .. 1.61]
2108-> ARG 53 HE - TRP 69 HZ2 [ 1.80 5.42] 0.00 0.46 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.46 .. 0.51]
2109-> ASN 58 HN - GLN 62 HE21 [ 1.80 5.47] 3.66 0.00 0.00 1.10 0.10 0.14 0.35 0.07 1.10 0.04 0.00 2.25 0.00 0.21 0.00 1.08 1.66 0.00 1.04 0.00 - 13 [ 0.04 .. 3.66]
2110-> ASN 58 HN - GLN 62 HE22 [ 1.80 5.47] 5.05 0.00 0.00 2.32 0.00 1.69 0.00 0.00 2.45 0.00 0.99 3.44 0.94 1.04 0.00 2.24 3.04 0.87 2.40 0.78 - 13 [ 0.78 .. 5.05]
2111-> ASN 58 HN - SER 59 HN [ 1.80 3.82] 0.00 0.00 0.00 0.00 0.09 0.07 0.00 0.00 0.08 0.13 0.00 0.06 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.00 - 6 [ 0.05 .. 0.13]
2113-> ASP 61 HN - VAL 63 HN [ 1.80 4.86] 0.00 0.02 0.00 0.26 0.00 0.00 0.00 0.13 0.00 0.00 0.14 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.23 0.00 - 6 [ 0.02 .. 0.29]
2129-> SER 59 HN - GLN 62 HE21 [ 1.80 4.44] 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 - 3 [ 0.01 .. 2.78]
2130-> ASN 30 HD22 - GLN 32 HE21 [ 1.80 5.47] 0.00 0.00 0.00 0.00 2.58 1.50 0.00 0.00 0.00 1.31 0.95 1.62 0.00 0.00 0.00 1.26 0.96 0.67 0.00 1.53 - 9 [ 0.67 .. 2.58]
2139-> SER 59 HN - HIS 82 HE1 [ 1.80 5.27] 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.27 .. 0.37]
2157-> ASN 30 HD21 - GLU 31 HN [ 1.80 5.37] 0.44 0.47 0.00 0.00 0.55 0.28 0.00 0.47 0.00 0.30 0.22 0.32 0.47 0.49 0.49 0.39 0.30 0.42 0.00 0.48 - 15 [ 0.22 .. 0.55]
2174-> TYR 42 HN - ASN 58 HN [ 1.80 4.97] 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.34 .. 1.34]
2176-> SER 71 HN - LYS 72 HN [ 1.80 3.27] 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.05 0.00 0.00 0.00 0.07 - 4 [ 0.05 .. 0.11]
2178-> GLY 74 HN - ILE 88 HN [ 1.80 4.83] 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.28 .. 0.28]
2212-> ASN 30 HD22 - GLU 31 HN [ 1.80 5.13] 0.53 0.56 0.13 0.00 1.31 1.13 0.00 0.57 0.00 1.12 1.08 1.18 0.57 0.59 0.57 1.18 1.12 0.50 0.11 1.28 - 17 [ 0.11 .. 1.31]
2215-> ASN 30 HD22 - GLN 32 HE22 [ 1.80 5.47] 0.03 0.00 0.00 0.00 3.45 2.28 0.00 0.00 0.63 2.54 1.98 2.54 0.00 0.00 0.00 2.43 1.70 1.29 0.54 2.38 - 12 [ 0.03 .. 3.45]
2242-> ASN 3 HA - ASN 3 HD21 [ 1.80 4.12] 0.10 0.03 0.28 0.09 0.05 0.09 0.34 0.04 0.29 0.10 0.08 0.08 0.33 0.08 0.07 0.30 0.11 0.33 0.09 0.09 - 20 [ 0.03 .. 0.34]
2243-> ASN 3 HA - ASN 3 HD22 [ 1.80 4.12] 0.45 0.39 0.49 0.40 0.40 0.42 0.59 0.40 0.49 0.42 0.43 0.43 0.57 0.39 0.42 0.52 0.41 0.57 0.44 0.40 - 20 [ 0.39 .. 0.59]
2246-> VAL 8 HG2* - LEU 24 HN [ 1.80 4.63] 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.90 0.00 0.00 0.89 0.91 0.00 0.92 0.93 0.91 0.00 0.00 0.86 0.00 - 8 [ 0.86 .. 0.99]
2247-> GLN 14 HE22 - GLY 37 HN [ 1.80 4.70] 0.49 0.00 0.00 0.00 0.36 0.00 1.04 0.11 1.41 0.00 0.00 0.00 0.00 0.12 0.53 0.00 0.00 0.00 0.00 0.00 - 7 [ 0.11 .. 1.41]
2258-> THR 76 HN - ILE 77 HD1* [ 1.80 5.78] 0.00 0.07 0.00 0.00 0.14 0.20 0.00 0.29 0.02 0.00 0.00 0.01 0.00 0.00 0.00 0.12 0.12 0.00 0.00 0.00 - 8 [ 0.01 .. 0.29]
2277-> TYR 42 HE* - ASP 57 HN [ 1.80 6.11] 5.88 0.00 0.00 0.00 4.28 0.00 0.00 4.22 0.00 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.20 .. 5.88]
2287-> ASN 3 HA - ASN 3 HD2* [ 1.80 3.38] 0.51 0.46 0.63 0.49 0.47 0.50 0.69 0.47 0.63 0.50 0.50 0.49 0.68 0.48 0.49 0.65 0.50 0.68 0.51 0.49 - 20 [ 0.46 .. 0.69]
2293-> ASP 6 HB* - VAL 8 HG1* [ 1.80 4.74] 0.00 0.00 0.00 0.00 0.19 0.00 0.53 1.26 0.00 0.00 1.07 1.01 0.00 0.40 1.36 1.37 0.00 0.00 1.14 0.00 - 9 [ 0.19 .. 1.37]
2294-> VAL 8 HG1* - SER 90 HB* [ 1.80 4.06] 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.05 .. 0.13]
2296-> VAL 9 HG2* - LYS 89 HB* [ 1.80 4.29] 0.00 0.54 0.59 1.88 0.77 0.50 1.47 1.89 0.00 0.65 0.80 1.01 0.70 2.15 2.09 1.31 0.53 0.76 0.98 0.63 - 18 [ 0.50 .. 2.15]
2297-> VAL 9 HG2* - LYS 89 HD* [ 1.80 4.12] 0.49 2.14 2.23 0.26 2.44 2.17 3.30 1.86 0.14 2.26 2.44 2.76 2.34 2.46 2.60 3.08 2.18 2.53 2.65 2.33 - 20 [ 0.14 .. 3.30]
2298-> VAL 9 HG2* - LYS 89 HE* [ 1.80 4.03] 1.81 3.63 3.33 0.31 3.90 3.69 4.72 2.78 1.47 3.77 4.02 4.28 3.79 1.52 1.71 4.60 3.71 4.01 4.12 3.80 - 20 [ 0.31 .. 4.72]
2307-> ILE 11 HD1* - GLU 21 HG* [ 1.80 4.00] 0.00 0.04 0.17 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 - 4 [ 0.04 .. 0.25]
2308-> ILE 11 HD1* - LYS 89 HD* [ 1.80 3.34] 0.00 0.00 0.00 0.73 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.45 0.25 0.00 0.00 0.00 0.00 - 5 [ 0.25 .. 2.74]
2312-> ILE 12 HD1* - GLU 21 HB* [ 1.80 5.34] 0.66 0.69 0.35 0.53 0.29 0.60 0.35 0.54 0.35 0.55 0.53 0.41 0.36 0.54 0.00 0.56 0.62 0.65 0.38 0.58 - 19 [ 0.29 .. 0.69]
2322-> SER 13 HB* - PHE 85 HB3 [ 1.80 4.49] 0.77 0.00 1.05 1.16 1.17 0.00 0.04 0.76 0.97 0.00 0.00 0.68 0.00 0.00 0.99 0.94 0.00 0.00 1.04 0.00 - 11 [ 0.04 .. 1.17]
2330-> ASN 15 HB3 - LYS 17 HD* [ 1.80 6.41] 0.09 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.09 .. 0.14]
2332-> ASN 15 HD21 - LYS 83 HD* [ 1.80 5.75] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.73 .. 1.73]
2333-> ASN 15 HD22 - LYS 83 HD* [ 1.80 5.50] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.39 .. 1.39]
2335-> LYS 17 HD* - ILE 19 HA [ 1.80 6.76] 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.67 .. 0.67]
2336-> LYS 17 HD* - ILE 19 HG2* [ 1.80 4.62] 0.00 0.00 1.14 0.00 0.02 0.00 0.12 0.34 0.00 0.27 0.04 0.00 0.31 0.00 0.05 0.11 0.18 0.35 0.00 0.06 - 12 [ 0.02 .. 1.14]
2337-> LYS 17 HE* - ILE 19 HG2* [ 1.80 6.18] 0.00 0.00 0.66 0.00 0.13 0.10 0.23 0.42 0.00 0.36 0.13 0.00 0.40 0.00 0.16 0.23 0.25 0.43 0.00 0.17 - 13 [ 0.10 .. 0.66]
2339-> VAL 18 HG1* - GLU 21 HG* [ 1.80 3.78] 0.52 0.51 0.50 0.80 0.70 0.51 0.00 0.20 0.80 0.74 0.48 0.00 0.34 0.00 0.49 0.57 0.38 0.00 0.00 0.49 - 15 [ 0.20 .. 0.80]
2340-> ARG 20 HA - ARG 20 HD* [ 1.80 3.96] 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 - 3 [ 0.25 .. 0.50]
2342-> ARG 20 HA - GLU 21 HG* [ 1.80 4.92] 0.89 0.90 0.89 0.87 0.86 0.91 0.00 0.91 0.88 0.91 0.89 0.00 0.91 0.00 0.88 0.90 0.93 0.00 0.00 0.88 - 15 [ 0.86 .. 0.93]
2344-> ARG 20 HD* - GLU 21 HN [ 1.80 4.49] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 - 2 [ 0.11 .. 0.26]
2348-> GLU 21 HN - GLU 21 HG* [ 1.80 3.98] 0.10 0.07 0.10 0.10 0.13 0.07 0.00 0.11 0.14 0.11 0.14 0.00 0.12 0.00 0.10 0.07 0.08 0.00 0.00 0.09 - 15 [ 0.07 .. 0.14]
2358-> HIS 27 HE1 - GLU 31 HG* [ 1.80 4.69] 0.10 0.09 0.00 0.00 0.09 0.00 0.00 0.09 0.00 0.21 0.00 0.00 0.00 0.07 0.00 0.00 0.12 0.00 0.00 0.00 - 7 [ 0.07 .. 0.21]
2360-> LYS 28 HN - LYS 28 HG* [ 1.80 3.78] 0.00 0.29 0.00 0.00 0.00 0.22 0.00 0.00 0.21 0.00 0.22 0.19 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 - 6 [ 0.19 .. 0.29]
2366-> LYS 28 HB* - GLY 29 HN [ 1.80 3.77] 0.00 0.00 0.00 0.00 0.07 0.09 0.00 0.00 0.10 0.00 0.24 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 6 [ 0.00 .. 0.24]
2374-> ASN 30 HD21 - GLU 46 HG* [ 1.80 4.58] 0.00 0.00 0.00 0.00 2.62 1.31 0.00 0.00 0.00 1.07 1.76 1.06 0.00 0.00 0.00 1.29 1.10 0.00 0.00 1.71 - 8 [ 1.06 .. 2.62]
2375-> ASN 30 HD22 - GLN 32 HE2* [ 1.80 4.81] 0.00 0.00 0.00 0.00 2.68 1.69 0.00 0.00 0.00 1.63 1.25 1.83 0.00 0.00 0.00 1.57 1.19 0.89 0.00 1.73 - 9 [ 0.89 .. 2.68]
2376-> ASN 30 HD22 - GLU 46 HG* [ 1.80 4.54] 0.00 0.00 0.00 0.00 2.43 1.60 0.00 0.00 0.00 1.23 1.98 1.37 0.00 0.00 0.00 1.37 1.29 0.00 0.00 1.61 - 8 [ 1.23 .. 2.43]
2381-> GLU 31 HG* - PHE 33 HD* [ 1.80 4.12] 0.86 1.16 1.08 1.14 0.96 1.33 0.00 1.27 1.75 1.45 1.26 1.37 1.29 1.19 1.27 1.50 1.16 0.93 0.00 1.48 - 18 [ 0.86 .. 1.75]
2390-> GLN 32 HE2* - GLU 46 HG* [ 1.80 4.75] 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 - 2 [ 0.05 .. 0.40]
2393-> THR 34 HB - LYS 36 HE* [ 1.80 5.22] 0.00 0.00 0.00 3.67 3.28 0.00 0.00 0.00 0.00 0.00 0.00 3.82 0.00 3.57 0.00 0.00 0.00 3.11 0.00 0.00 - 5 [ 3.11 .. 3.82]
2394-> THR 34 HG2* - LYS 36 HG* [ 1.80 3.73] 0.00 0.00 0.00 1.17 1.07 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 1.11 0.00 0.00 0.00 0.83 0.00 0.00 - 5 [ 0.83 .. 1.23]
2395-> THR 34 HG2* - LYS 36 HE* [ 1.80 4.53] 0.00 0.00 0.00 1.85 1.59 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 1.84 0.00 0.00 0.00 1.45 0.00 0.00 - 5 [ 1.45 .. 1.88]
2414-> ALA 40 HB* - ASN 58 HD2* [ 1.80 4.13] 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.79 .. 0.79]
2415-> GLN 41 HN - GLN 41 HG* [ 1.80 3.68] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.28 .. 0.28]
2420-> GLN 41 HA - ASN 58 HD2* [ 1.80 4.23] 0.00 1.49 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.00 .. 1.71]
2424-> GLN 41 HG* - HIS 82 HD2 [ 1.80 5.07] 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 1.82 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.98 0.00 - 4 [ 0.34 .. 1.82]
2425-> GLN 41 HE2* - PRO 81 HB2 [ 1.80 6.01] 0.00 0.07 0.00 0.00 0.69 1.60 2.26 0.00 1.02 0.83 0.97 0.22 0.00 0.00 0.18 0.00 0.00 0.18 0.00 0.00 - 10 [ 0.07 .. 2.26]
2426-> GLN 41 HE2* - HIS 82 HA [ 1.80 4.54] 0.00 0.00 0.27 0.37 0.00 3.13 0.00 0.67 1.11 2.29 0.00 2.01 0.00 0.78 0.44 0.10 0.00 1.48 0.00 0.47 - 12 [ 0.10 .. 3.13]
2427-> GLN 41 HE2* - HIS 82 HD2 [ 1.80 4.30] 0.93 0.02 0.00 0.00 0.01 1.16 2.94 0.00 3.22 0.83 1.04 0.81 0.00 0.00 2.94 0.00 0.00 0.40 1.81 0.00 - 12 [ 0.01 .. 3.22]
2429-> TYR 42 HN - ASN 58 HD2* [ 1.80 4.88] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.92 .. 0.92]
2430-> TYR 42 HD* - ASN 58 HB* [ 1.80 5.69] 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.93 .. 0.93]
2431-> TYR 42 HD* - ASN 58 HD2* [ 1.80 4.12] 0.40 0.00 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.03 1.05 0.35 0.00 - 6 [ 0.03 .. 2.42]
2432-> TYR 42 HE* - ASN 58 HB* [ 1.80 3.90] 4.15 0.13 0.00 0.00 1.02 0.00 2.83 2.50 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 6 [ 0.13 .. 4.15]
2433-> TYR 42 HE* - GLU 56 HB* [ 1.80 4.67] 4.85 0.00 0.00 0.00 5.17 0.00 0.00 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 4.27 .. 5.17]
2434-> TYR 42 HE* - GLU 56 HG* [ 1.80 4.16] 7.12 0.00 0.00 0.00 5.07 0.00 1.32 4.31 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 - 6 [ 0.82 .. 7.12]
2436-> ASN 43 HD2* - ILE 54 HG2* [ 1.80 3.80] 0.00 0.00 1.38 0.00 1.29 0.00 0.00 0.00 0.00 0.78 0.00 0.47 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.47 .. 1.38]
2437-> ASN 43 HD2* - ASP 57 HA [ 1.80 5.38] 0.00 0.00 0.00 0.43 0.00 0.00 0.00 0.27 0.22 0.00 0.59 0.00 0.00 0.23 0.10 0.00 0.21 0.83 0.85 0.00 - 9 [ 0.10 .. 0.85]
2438-> ASN 43 HD2* - ASN 58 HN [ 1.80 5.69] 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.04 0.23 0.00 0.68 0.00 0.00 0.57 0.00 0.00 0.10 0.55 1.08 0.00 - 8 [ 0.04 .. 1.08]
2457-> MET 45 HA - ARG 53 HD* [ 1.80 6.75] 0.07 0.11 0.00 0.19 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.38 0.00 0.00 0.14 0.03 0.20 - 9 [ 0.02 .. 0.38]
2463-> GLU 46 HB* - ARG 53 HE [ 1.80 4.60] 0.43 0.06 0.25 0.92 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.59 0.00 0.69 - 8 [ 0.06 .. 0.92]
2469-> GLU 46 HG* - ASP 48 HB3 [ 1.80 5.20] 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 - 2 [ 0.14 .. 0.16]
2476-> GLY 49 HA* - GLU 50 HG3 [ 1.80 5.01] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.00 0.72 0.00 0.00 0.00 - 2 [ 0.21 .. 0.72]
2484-> ARG 51 HD* - TRP 69 HH2 [ 1.80 6.61] 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.31 .. 0.31]
2491-> ARG 53 HD* - LYS 55 HN [ 1.80 5.52] 0.24 0.14 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.22 0.09 0.22 - 7 [ 0.09 .. 0.25]
2495-> ARG 53 HE - LYS 55 HB* [ 1.80 5.47] 0.49 0.00 0.00 0.83 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.59 0.00 0.59 - 6 [ 0.29 .. 0.83]
2496-> ARG 53 HE - LYS 55 HG* [ 1.80 5.34] 0.29 0.00 0.00 0.76 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.80 0.00 0.46 - 6 [ 0.27 .. 0.80]
2513-> GLU 56 HG* - ASP 57 HN [ 1.80 3.77] 0.42 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.24 0.00 0.27 0.00 0.00 0.00 0.00 0.33 0.00 - 5 [ 0.24 .. 0.42]
2514-> GLU 56 HG* - ASP 57 HA [ 1.80 5.20] 0.59 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.65 0.00 0.63 0.00 0.00 0.00 0.00 0.55 0.00 - 5 [ 0.55 .. 0.65]
2515-> ASP 57 HN - GLN 62 HE2* [ 1.80 4.52] 1.74 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.61 0.00 0.00 1.23 0.00 1.03 0.00 - 6 [ 0.61 .. 1.92]
2516-> ASP 57 HA - GLN 62 HE2* [ 1.80 6.12] 2.50 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.16 0.00 0.00 1.33 0.00 0.00 0.00 0.16 1.28 0.00 0.95 0.00 - 7 [ 0.16 .. 2.50]
2519-> ASN 58 HN - GLN 62 HE2* [ 1.80 4.49] 4.11 0.00 0.00 1.75 0.00 0.93 0.01 0.00 1.78 0.00 0.46 2.79 0.30 0.86 0.00 1.72 2.30 0.32 1.73 0.14 - 14 [ 0.01 .. 4.11]
2521-> ASN 58 HA - GLN 62 HE2* [ 1.80 4.49] 3.14 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.14 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.43 0.00 0.37 0.00 - 6 [ 0.14 .. 3.14]
2524-> SER 59 HB* - PRO 60 HD2 [ 1.80 3.68] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.25 .. 0.25]
2527-> SER 59 HB* - GLN 62 HE2* [ 1.80 6.35] 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.10 .. 1.10]
2530-> SER 59 HB* - HIS 82 HE1 [ 1.80 5.76] 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.68 .. 0.68]
2537-> GLN 62 HA - GLN 62 HE2* [ 1.80 4.43] 0.37 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.42 0.00 0.46 0.00 0.40 0.43 0.00 0.38 0.09 - 9 [ 0.09 .. 0.46]
2548-> GLN 62 HE2* - VAL 65 HG2* [ 1.80 4.39] 0.08 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.20 0.00 0.14 0.22 0.00 0.65 0.00 - 7 [ 0.08 .. 1.53]
2559-> MET 67 HB3 - LYS 70 HE* [ 1.80 4.01] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.63 .. 0.63]
2573-> LYS 72 HN - LYS 72 HG* [ 1.80 3.80] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.21 .. 0.21]
2597-> ILE 77 HG1* - VAL 86 HG1* [ 1.80 3.88] 0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.06 0.00 0.00 0.10 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.01 .. 0.10]
2598-> ILE 77 HG1* - VAL 86 HG2* [ 1.80 4.85] 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.04 .. 0.10]
2609-> PHE 85 HD* - GLU 87 HB* [ 1.80 4.22] 1.91 0.00 1.81 2.17 1.35 1.32 2.69 1.35 1.94 0.00 0.00 0.00 0.00 0.00 1.94 2.84 0.00 0.00 1.97 0.00 - 11 [ 1.32 .. 2.84]
2610-> PHE 85 HD* - GLU 87 HG* [ 1.80 5.44] 2.30 0.05 2.07 0.00 1.53 1.50 0.00 1.59 2.22 0.19 0.08 0.00 0.03 0.00 2.09 0.00 0.01 0.02 2.20 0.08 - 15 [ 0.01 .. 2.30]
2611-> PHE 85 HE* - GLU 87 HB* [ 1.80 4.15] 3.83 0.00 3.68 3.99 3.24 3.20 4.58 3.23 3.87 0.00 0.00 0.00 0.00 0.00 3.84 4.73 0.00 0.00 3.88 0.00 - 11 [ 3.20 .. 4.73]
2612-> PHE 85 HE* - GLU 87 HG* [ 1.80 5.14] 4.39 0.00 4.08 1.14 3.53 3.47 1.68 3.63 4.29 0.00 0.00 0.19 0.00 0.00 4.13 1.88 0.00 0.00 4.25 0.00 - 12 [ 0.19 .. 4.39]
2613-> PHE 85 HZ - GLU 87 HB* [ 1.80 5.50] 4.39 0.00 4.20 4.55 3.70 3.71 5.23 3.65 4.44 0.00 0.00 0.14 0.00 0.00 4.39 5.38 0.00 0.00 4.45 0.00 - 12 [ 0.14 .. 5.38]
2641-> LYS 93 HN - LYS 93 HG* [ 1.80 4.05] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.00 - 1 [ 0.17 .. 0.17]
2646-> LYS 93 HD* - ASP 94 HN [ 1.80 5.29] 0.59 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.63 0.00 - 4 [ 0.58 .. 0.63]
2649-> SER 95 HN - LYS 96 HG* [ 1.80 5.42] 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.77 - 4 [ 0.02 .. 0.77]
2650-> SER 95 HA - LYS 96 HG* [ 1.80 5.99] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 - 1 [ 0.43 .. 0.43]
2662-> ASP 97 HB* - ASP 99 HN [ 1.80 4.03] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 - 1 [ 1.08 .. 1.08]
2665-> PRO 98 HD* - ASP 99 HN [ 1.80 4.32] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 - 1 [ 0.55 .. 0.55]
2669-> ASP 101 HN - LEU 102 HB* [ 1.80 5.59] 0.00 0.49 0.00 0.00 0.00 0.46 0.00 0.28 0.00 0.00 0.09 0.00 0.00 0.46 0.00 0.00 0.35 0.00 0.15 0.20 - 8 [ 0.09 .. 0.49]
2706-> GLN 14 O - LYS 17 HN [ 1.80 2.30] 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.01 0.00 - 6 [ 0.00 .. 0.29]
2714-> GLY 37 HN - GLN 41 O [ 1.80 2.30] 0.00 1.17 0.39 0.14 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.08 0.00 0.00 0.00 1.10 0.17 0.00 - 7 [ 0.08 .. 1.17]
2715-> GLY 37 N - GLN 41 O [ 1.80 3.45] 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 - 2 [ 0.17 .. 0.30]
2724-> ASP 48 HN - ARG 51 O [ 1.80 2.30] 0.37 0.28 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.06 0.10 0.00 0.00 0.30 0.00 0.00 - 6 [ 0.06 .. 0.37]
2728-> VAL 63 O - MET 67 HN [ 1.80 2.30] 1.18 0.00 0.00 0.00 0.89 0.67 0.78 0.00 0.71 0.64 0.00 1.17 0.00 0.00 0.13 0.89 0.00 0.00 0.00 0.00 - 9 [ 0.13 .. 1.18]
2729-> VAL 63 O - MET 67 N [ 1.80 3.45] 0.47 0.00 0.00 0.00 0.41 0.17 0.18 0.00 0.17 0.06 0.00 0.34 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.00 - 8 [ 0.06 .. 0.47]
-------------------------------------------
Number of Violations greater than 0.10 202 127 129 161 192 179 208 199 169 152 175 212 103 160 171 184 155 136 210 141
-------------------------------------------
---- Summary Of Residual Distance Constraint Violations ----
Mod 1 Mod 2 Mod 3 Mod 4 Mod 5 Mod 6 Mod 7 Mod 8 Mod 9 Mod 10 Mod 11 Mod 12 Mod 13 Mod 14 Mod 15 Mod 16 Mod 17 Mod 18 Mod 19 Mod 20 Averages
~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~~~~~~
0.1 - 0.2 ang: 22 11 10 15 17 18 21 15 18 16 20 13 8 15 8 13 18 14 17 17 15.30
0.2 - 0.5 ang: 36 34 34 45 38 38 42 51 37 36 37 45 30 51 45 37 36 37 58 29 39.80
> 0.5 ang: 144 82 85 101 137 123 145 133 114 100 118 154 65 94 118 134 101 85 135 95 113.15
Total : 226 149 149 187 213 204 230 223 190 173 194 247 121 182 197 214 172 155 231 164 191.05
Minimum Violation : 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
Maximum Violation : 7.855 4.738 5.161 5.359 6.269 4.674 5.708 6.388 5.572 4.063 4.587 4.439 4.833 4.856 5.277 5.744 4.578 4.276 5.252 4.550 7.855
Max Intra Viol : 0.998 0.458 0.628 1.081 0.628 0.591 0.941 0.633 1.030 0.503 0.496 1.016 0.682 1.075 0.717 1.001 1.036 0.681 1.039 0.852 1.081
Max Seque Viol : 1.896 1.276 1.136 1.348 1.310 1.284 2.016 2.004 1.095 1.240 2.008 2.111 1.139 1.974 2.136 2.119 1.292 1.218 2.048 1.355 2.136
Max Medium Viol : 5.066 1.839 4.727 4.574 4.421 4.277 5.232 4.197 4.929 2.842 2.665 3.823 1.897 3.570 4.961 5.385 3.043 3.111 4.976 3.108 5.385
Max Long Viol : 7.855 4.738 5.161 5.359 6.269 4.674 5.708 6.388 5.572 4.063 4.587 4.439 4.833 4.856 5.277 5.744 4.578 4.276 5.252 4.550 7.855
Average Violation : 0.119 0.050 0.062 0.068 0.111 0.076 0.110 0.095 0.086 0.056 0.067 0.091 0.043 0.058 0.081 0.085 0.059 0.050 0.098 0.059 0.07625
Avge Intra Viol : 0.006 0.004 0.003 0.006 0.003 0.004 0.007 0.004 0.010 0.003 0.004 0.007 0.005 0.006 0.004 0.006 0.007 0.005 0.009 0.004 0.00537
Avge Seque Viol : 0.140 0.022 0.056 0.086 0.108 0.071 0.086 0.084 0.101 0.039 0.037 0.083 0.020 0.027 0.065 0.084 0.043 0.039 0.100 0.041 0.06665
Avge Mediu Viol : 0.051 0.032 0.027 0.040 0.038 0.045 0.046 0.051 0.024 0.037 0.047 0.060 0.029 0.051 0.055 0.057 0.043 0.026 0.056 0.052 0.04338
Avge Long Viol : 0.190 0.101 0.111 0.099 0.198 0.131 0.205 0.168 0.138 0.105 0.130 0.155 0.084 0.113 0.145 0.138 0.107 0.091 0.162 0.104 0.13381
RMS Violation : 0.616 0.307 0.387 0.385 0.558 0.391 0.542 0.483 0.478 0.311 0.345 0.417 0.293 0.320 0.430 0.437 0.327 0.299 0.488 0.332 0.41770
RMS Intra : 0.056 0.038 0.037 0.058 0.040 0.041 0.063 0.041 0.075 0.036 0.040 0.059 0.048 0.058 0.046 0.060 0.059 0.048 0.076 0.046 0.05270
RMS Sequential : 0.695 0.162 0.385 0.445 0.546 0.395 0.510 0.462 0.546 0.246 0.219 0.396 0.160 0.203 0.410 0.484 0.263 0.226 0.523 0.252 0.40451
RMS Medium range : 0.206 0.155 0.136 0.187 0.172 0.188 0.206 0.208 0.119 0.171 0.206 0.226 0.141 0.216 0.230 0.243 0.182 0.137 0.216 0.203 0.19048
RMS Long range : 0.791 0.465 0.526 0.481 0.765 0.524 0.749 0.662 0.612 0.445 0.509 0.567 0.443 0.468 0.585 0.557 0.465 0.433 0.637 0.475 0.56847
Final --global-- Summary for 20 models, 2747 NOEs/model, 54940 NOEs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ of viol : 4189.266
Summ sq. viol : 9585.449
Maximum viol : 7.855
Average viol : 0.07625
RMSD viol : 0.41770
Std. Dev. viol : 0.41068
RMS Intra : 0.05270
RMS Seque : 0.40451
RMS Medi : 0.19048
RMS Long : 0.56847
table of dihedral angle constraints violations
5-> [ALA A 10] PHI -148.0 -88.0 0.0 0.6 0.0 1.7 3.0 1.2 0.0 0.0 0.0 0.0 0.0 0.0 0.5 0.0 0.0 0.0 1.4 1.0 0.7 2.3 - 9 [ 0.0 .. 3.0]
12-> [SER A 13] PSI 128.0 168.0 0.0 0.0 0.0 0.0 0.0 0.0 6.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 6.2]
15-> [LYS A 17] PHI -146.0 -74.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 14.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 14.0]
16-> [LYS A 17] PSI 127.0 159.0 2.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.9]
22-> [ARG A 20] PSI 125.0 153.0 0.0 5.1 0.0 0.0 0.0 5.1 0.0 0.0 8.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.0 0.0 7.0 0.0 - 5 [ 0.0 .. 8.4]
24-> [GLU A 21] PSI 114.0 154.0 2.3 4.0 2.0 1.7 0.0 3.9 0.0 0.0 0.0 3.1 4.0 0.0 1.8 6.0 1.9 0.7 4.0 3.3 0.0 4.1 - 14 [ 0.0 .. 6.0]
27-> [ASN A 30] PHI -151.0 -119.0 17.2 19.5 0.0 0.0 18.9 12.0 2.8 15.1 9.0 13.4 10.4 8.9 0.5 17.6 14.8 21.0 14.1 10.9 10.3 3.3 - 18 [ 0.0 .. 21.0]
28-> [ASN A 30] PSI 114.0 150.0 7.2 8.2 3.2 0.0 0.0 0.0 0.0 8.9 0.0 0.0 0.0 0.0 7.8 9.0 9.0 0.0 0.0 9.0 3.8 0.0 - 9 [ 0.0 .. 9.0]
29-> [GLU A 31] PHI -166.0 -114.0 12.3 10.9 0.0 0.0 0.0 0.0 0.0 11.6 0.0 0.0 0.0 0.0 13.9 9.5 12.2 0.0 0.0 12.4 0.0 0.0 - 7 [ 0.0 .. 13.9]
40-> [LYS A 36] PSI 98.0 150.0 6.4 2.9 5.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 6.4]
42-> [ASN A 43] PSI 111.0 175.0 0.0 0.0 0.0 5.2 3.0 0.0 0.0 2.1 6.7 0.0 1.3 0.0 0.0 4.5 0.0 0.0 0.0 6.1 0.1 0.0 - 9 [ 0.0 .. 6.7]
50-> [VAL A 47] PSI 108.0 148.0 15.4 11.8 0.9 0.8 0.0 0.0 0.0 10.4 0.0 0.0 0.0 0.0 2.8 4.0 7.8 0.0 0.0 12.5 0.0 0.0 - 9 [ 0.0 .. 15.4]
51-> [ASP A 48] PHI -154.0 -110.0 27.0 23.9 0.0 0.0 0.0 0.0 0.0 17.8 0.0 0.0 0.0 0.0 0.0 11.4 17.5 0.0 0.0 19.9 0.0 0.0 - 6 [ 0.0 .. 27.0]
52-> [ASP A 48] PSI 91.0 167.0 10.6 4.3 0.0 0.0 14.3 0.0 8.1 2.7 0.0 0.0 0.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 14.7 - 7 [ 0.0 .. 14.7]
54-> [ILE A 52] PSI 144.0 172.0 0.0 2.2 1.4 0.3 0.1 0.5 0.9 0.0 0.5 0.0 0.0 2.6 4.1 5.6 0.0 2.5 1.6 0.0 3.7 0.0 - 13 [ 0.0 .. 5.6]
55-> [ARG A 53] PHI -159.0 -107.0 0.5 0.0 9.5 3.6 0.0 0.0 0.0 9.5 0.0 0.0 0.0 0.0 0.0 0.0 6.0 0.0 0.0 3.6 0.0 3.3 - 7 [ 0.0 .. 9.5]
56-> [ARG A 53] PSI 144.0 168.0 2.8 4.1 0.9 2.0 2.9 0.0 0.0 6.7 0.0 0.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 5.4 0.0 2.7 - 9 [ 0.0 .. 6.7]
60-> [LYS A 55] PSI -54.0 -26.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.5 0.0 6.6 0.0 0.0 0.0 0.8 6.0 0.0 - 4 [ 0.0 .. 6.6]
61-> [GLU A 56] PHI -179.0 -139.0 0.0 0.0 0.0 0.0 0.0 0.0 8.8 0.0 0.0 0.0 0.0 36.0 0.0 19.5 0.0 0.0 0.0 0.0 0.3 0.0 - 4 [ 0.0 .. 36.0]
62-> [GLU A 56] PSI 139.0 171.0 5.4 8.6 0.7 4.6 0.0 10.9 0.0 3.3 0.0 9.7 9.4 0.0 4.1 0.0 0.0 0.0 3.1 8.9 1.5 7.4 - 13 [ 0.0 .. 10.9]
63-> [VAL A 63] PHI -74.0 -54.0 0.0 0.0 0.0 0.0 0.0 1.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.1 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 2.1]
64-> [VAL A 63] PSI -51.0 -31.0 0.0 10.7 0.0 6.9 0.0 0.0 0.0 0.0 0.0 0.0 3.1 0.0 0.0 1.3 0.0 0.0 5.5 0.0 9.0 8.2 - 7 [ 0.0 .. 10.7]
65-> [GLY A 64] PHI -77.0 -53.0 0.3 0.0 0.7 1.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.8 0.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 1.1]
68-> [VAL A 65] PSI -51.0 -31.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 11.1 0.0 0.0 0.0 0.8 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 11.1]
69-> [LYS A 66] PHI -75.0 -51.0 3.9 0.0 3.6 2.5 0.0 0.0 0.1 0.0 1.5 0.0 0.0 10.6 1.8 0.0 1.5 9.4 0.0 0.0 0.0 0.3 - 10 [ 0.0 .. 10.6]
70-> [LYS A 66] PSI -57.0 -29.0 27.4 2.1 19.0 8.9 14.7 12.2 20.6 4.9 16.3 18.9 0.0 31.7 19.0 5.7 20.2 30.6 0.6 1.4 0.6 5.6 - 19 [ 0.0 .. 31.7]
74-> [THR A 76] PSI 143.0 -177.0 20.2 0.0 0.0 14.8 13.1 20.8 11.1 0.0 0.0 12.8 17.2 0.0 0.0 0.0 0.0 11.4 0.0 0.0 0.0 0.0 - 8 [ 0.0 .. 20.8]
75-> [ILE A 77] PHI -175.0 -115.0 7.3 0.0 2.9 3.1 13.4 19.9 6.2 12.5 0.0 6.1 2.3 0.0 0.0 0.0 0.0 13.4 0.0 0.0 0.0 0.0 - 10 [ 0.0 .. 19.9]
79-> [CYS A 79] PHI -121.0 -61.0 12.4 15.6 9.0 15.7 5.0 3.4 7.1 7.9 5.4 13.3 2.2 13.9 3.5 18.9 18.7 8.3 20.3 19.9 19.4 23.9 - 20 [ 2.2 .. 23.9]
86-> [VAL A 86] PSI 114.0 146.0 0.0 0.0 0.0 4.4 0.6 0.0 0.6 14.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 14.6]
90-> [ILE A 88] PSI 109.0 137.0 0.0 0.0 0.0 0.0 0.0 0.0 15.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7.7 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 15.8]
94-> [SER A 90] PSI 125.0 149.0 4.2 0.0 3.9 11.0 0.0 4.3 0.0 16.6 0.0 0.0 4.1 16.4 7.1 0.6 0.0 11.1 0.0 5.6 4.3 10.7 - 13 [ 0.0 .. 16.6]
---- ACOSummary Of Residual ACO Constraint Violations ----
Mod 1 Mod 2 Mod 3 Mod 4 Mod 5 Mod 6 Mod 7 Mod 8 Mod 9 Mod 10 Mod 11 Mod 12 Mod 13 Mod 14 Mod 15 Mod 16 Mod 17 Mod 18 Mod 19 Mod 20 Averages
~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~~~~~~
1 - 10. degrees : 9 9 9 12 4 6 6 8 5 3 7 2 8 9 7 4 6 9 7 8 6.90
> 10. degrees : 8 6 1 3 5 5 3 7 1 4 2 6 2 5 5 5 2 5 2 3 4.00
Total : 19 16 14 17 11 12 13 15 7 7 11 9 13 15 13 11 9 15 13 12 12.60
Minimum Violation : 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.00
Maximum Violation : 27.4 23.9 19.0 15.7 18.9 20.8 20.6 17.8 16.3 18.9 17.2 36.0 19.0 19.5 20.2 30.6 20.3 19.9 19.4 23.9 35.96
Max PHI Viol : 27.0 23.9 9.5 15.7 18.9 19.9 8.8 17.8 9.0 13.4 10.4 36.0 13.9 19.5 18.7 21.0 20.3 19.9 19.4 23.9 35.96
Max PSI Viol : 27.4 11.8 19.0 14.8 14.7 20.8 20.6 16.6 16.3 18.9 17.2 31.7 19.0 9.0 20.2 30.6 5.5 12.5 9.0 14.7 31.68
Average Violation : 2.0 1.4 0.7 0.9 0.9 1.0 0.9 1.5 0.5 0.8 0.6 1.4 0.7 1.4 1.2 1.2 0.6 1.3 0.7 0.9 1.044
Avge PHI Viol : 1.312 1.224 0.738 0.768 0.927 0.899 0.730 1.259 0.582 0.835 0.564 1.214 0.656 1.391 1.251 1.052 0.872 1.201 0.808 0.840 0.989
Avge PSI Viol : 1.494 1.167 0.892 1.136 1.018 1.106 1.166 1.222 0.824 0.974 0.923 1.151 0.997 0.961 0.923 1.175 0.650 1.061 0.876 1.065 1.053
RMS Violation : 5.715 4.377 2.558 2.958 3.545 3.733 3.392 4.324 2.295 3.295 2.414 5.722 2.780 4.287 4.156 4.654 2.720 4.003 2.725 3.427 3.782
RMS PHI Viol : 5.456 5.282 2.020 2.442 3.493 3.435 1.932 4.595 1.549 2.893 1.591 5.972 2.107 5.580 4.769 4.064 3.607 4.792 3.200 3.564 3.868
RMS PSI Viol : 5.963 3.227 3.001 3.396 3.597 4.010 4.390 4.035 2.851 3.653 3.020 5.461 3.319 2.370 3.437 5.177 1.340 3.014 2.148 3.284 3.695
Final --global-- Summary for 20 models, 94 ACOs/model, 1880 ACOs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ. Viol. : 1962.81
Summ. Sq. Viol. : 26896.86
Max. Viol. : 35.961
Avg. Viol. : 1.04405
RMS Viol. : 3.78244
Std. Dev. Viol. : 3.63549
JPEG image for inter-residue distance constraints per residue plot
S(phi)|S(psi) V/S Residue number
Text output from PDBStat of phi psi order
# CHAIN .GT. SUM.GT.
# RES ID DIH S(phi) S(psi) S(chi1) S(chi2) S(chi3) S(chi4) S(chi5) 0.90 1.6
# -----------------------------------------------------------------------------------
MET A 1 0.360 0.800 0.507 0.304
LYS A 2 0.610 0.583 0.519 0.999 1.000 0.997
ASN A 3 0.894 0.840 0.727 0.936 3
THR A 4 0.927 0.895 0.925 4
GLY A 5 0.842 0.835 5
ASP A 6 0.910 0.839 0.723 0.949 6
GLU A 7 0.966 0.996 0.572 0.929 0.806 7 7
VAL A 8 0.992 0.988 0.524 8 8
VAL A 9 0.999 0.998 0.842 9 9
ALA A 10 0.998 0.998 10 10
ILE A 11 0.998 0.998 0.999 0.759 11 11
ILE A 12 0.997 0.999 1.000 0.963 12 12
SER A 13 0.997 0.986 0.699 13 13
GLN A 14 0.976 0.997 0.999 0.931 0.975 14 14
ASN A 15 0.999 0.994 0.847 0.893 15 15
GLY A 16 0.995 0.983 16 16
LYS A 17 0.975 0.993 0.658 0.929 0.999 0.999 17 17
VAL A 18 0.997 0.999 1.000 18 18
ILE A 19 1.000 0.999 1.000 1.000 19 19
ARG A 20 0.996 0.981 0.859 0.753 0.613 0.767 1.000 20 20
GLU A 21 0.988 0.997 0.701 0.999 1.000 21 21
ILE A 22 0.999 0.998 1.000 1.000 22 22
PRO A 23 1.000 0.998 1.000 1.000 23 23
LEU A 24 0.999 0.999 1.000 1.000 24 24
THR A 25 0.997 0.998 1.000 25 25
GLY A 26 0.996 0.990 26 26
HIS A 27 0.998 0.944 0.999 0.991 27 27
LYS A 28 0.950 0.928 0.642 0.858 0.999 0.926 28 28
GLY A 29 0.915 0.981 29 29
ASN A 30 0.984 0.958 0.588 0.911 30 30
GLU A 31 0.935 0.995 0.933 0.934 0.846 31 31
GLN A 32 0.994 0.997 0.999 0.999 0.832 32 32
PHE A 33 0.995 0.996 0.771 0.991 33 33
THR A 34 0.998 0.997 1.000 34 34
ILE A 35 0.987 0.993 1.000 0.921 35 35
LYS A 36 0.969 0.949 0.698 0.999 1.000 0.997 36 36
GLY A 37 0.955 0.884 37
LYS A 38 0.911 0.884 0.656 0.923 0.999 0.941 38
GLY A 39 0.836 0.731
ALA A 40 0.707 0.935
GLN A 41 0.947 0.836 0.933 0.738 0.717 41
TYR A 42 0.912 0.982 0.683 0.772 42 42
ASN A 43 0.991 0.971 0.604 0.723 43 43
LEU A 44 0.984 0.997 1.000 1.000 44 44
MET A 45 0.994 0.997 0.998 0.934 0.759 45 45
GLU A 46 0.993 0.998 0.999 0.996 0.977 46 46
VAL A 47 0.999 0.980 1.000 47 47
ASP A 48 0.958 0.900 0.991 0.929 48 48
GLY A 49 0.876 0.316
GLU A 50 0.352 0.994 0.847 0.996 0.570
ARG A 51 0.993 0.999 0.931 0.998 0.928 0.952 0.999 51 51
ILE A 52 0.997 0.999 1.000 1.000 52 52
ARG A 53 0.992 0.997 0.993 0.884 0.866 0.659 0.999 53 53
ILE A 54 0.996 0.998 1.000 0.999 54 54
LYS A 55 0.998 0.995 0.998 0.998 0.997 0.844 55 55
GLU A 56 0.971 0.995 0.684 0.999 0.933 56 56
ASP A 57 0.976 0.908 0.507 0.704 57 57
ASN A 58 0.956 0.900 0.744 0.866 58 58
SER A 59 0.823 0.980 0.555 59
PRO A 60 0.991 0.993 0.920 0.864 60 60
ASP A 61 0.983 0.967 0.997 0.944 61 61
GLN A 62 0.998 0.994 0.999 0.613 0.779 62 62
VAL A 63 0.996 0.993 1.000 63 63
GLY A 64 0.994 0.991 64 64
VAL A 65 0.997 0.995 0.941 65 65
LYS A 66 0.996 0.984 0.999 0.998 0.999 0.995 66 66
MET A 67 0.996 0.999 0.936 0.559 0.189 67 67
GLY A 68 0.995 0.974 68 68
TRP A 69 0.996 0.999 1.000 0.998 69 69
LYS A 70 0.999 0.997 0.998 1.000 1.000 0.999 70 70
SER A 71 0.988 0.935 0.681 71 71
LYS A 72 0.974 0.988 0.848 1.000 1.000 1.000 72 72
ALA A 73 0.992 0.921 73 73
GLY A 74 0.948 0.978 74 74
ASP A 75 0.995 0.990 1.000 0.999 75 75
THR A 76 0.995 0.977 0.448 76 76
ILE A 77 0.981 0.996 1.000 0.848 77 77
VAL A 78 0.997 0.997 0.927 78 78
CYS A 79 0.994 0.994 0.932 79 79
LEU A 80 0.999 0.998 0.586 0.543 80 80
PRO A 81 0.999 0.997 0.984 0.966 81 81
HIS A 82 0.994 0.998 0.998 0.629 82 82
LYS A 83 0.999 0.996 0.999 0.927 0.997 0.998 83 83
VAL A 84 0.997 0.993 1.000 84 84
PHE A 85 0.989 0.992 0.418 0.986 85 85
VAL A 86 0.997 0.990 1.000 86 86
GLU A 87 0.989 0.995 0.804 0.996 0.918 87 87
ILE A 88 0.998 0.989 1.000 0.779 88 88
LYS A 89 0.982 0.997 0.689 0.938 0.933 0.949 89 89
SER A 90 0.989 0.992 0.692 90 90
THR A 91 0.991 0.995 0.999 91 91
GLN A 92 0.978 0.829 0.997 0.861 0.967 92
LYS A 93 0.818 0.855 0.552 0.926 0.999 0.999 93
ASP A 94 0.723 0.820 0.529 0.910
SER A 95 0.827 0.514 0.397
LYS A 96 0.890 0.821 0.619 0.612 0.998 0.937 96
ASP A 97 0.982 0.960 0.621 0.977 97 97
PRO A 98 0.989 0.845 0.898 0.814 98
ASP A 99 0.809 0.668 0.597 0.968
THR A 100 0.910 0.399 0.270
ASP A 101 0.699 0.775 0.718 0.992
LEU A 102 0.867 0.907 0.337 0.573 102
ILE A 103 0.937 0.716 0.921 0.765
VAL A 104 0.849 0.963 0.926 104
PRO A 105 0.987 0.905 0.897 0.815 105 105
ASN A 106 0.792 0.667 0.375 0.837
LEU A 107 0.969 0.769 0.582 0.610
GLU A 108 0.961 0.757 0.612 0.805 0.934
HIS A 109 0.862 0.672 0.429 0.460
HIS A 110 0.888 0.472 0.337 0.415
HIS A 111 0.534 0.505 0.564 0.398
HIS A 112 0.860 0.683 0.479 0.632
HIS A 113 0.839 0.434 0.432 0.536
HIS A 114 0.744 0.601 0.624
JPEG image of S(phi)~Residue_number Plot
JPEG image of S(psi)~Residue_number Plot
Table of Backbone and Heavy Atom RMSD
Text report of backbone and heavy atom RMSD for ordered regions
>
> Kabsch RMSD data for family `LKR112_R3_em_bcr3.pdb'
>
> Kabsch RMSD of backbone atoms in res. A[7..36],A[42..48],A[51..58],A[60..91],for model 1 is: 0.865
> Kabsch RMSD of backbone atoms in res. A[7..36],A[42..48],A[51..58],A[60..91],for model 2 is: 0.632
> Kabsch RMSD of backbone atoms in res. A[7..36],A[42..48],A[51..58],A[60..91],for model 3 is: 0.401
> Kabsch RMSD of backbone atoms in res. A[7..36],A[42..48],A[51..58],A[60..91],for model 4 is: 0.559
> Kabsch RMSD of backbone atoms in res. A[7..36],A[42..48],A[51..58],A[60..91],for model 5 is: 0.819
> Kabsch RMSD of backbone atoms in res. A[7..36],A[42..48],A[51..58],A[60..91],for model 6 is: 0.638
> Kabsch RMSD of backbone atoms in res. A[7..36],A[42..48],A[51..58],A[60..91],for model 7 is: 0.856
> Kabsch RMSD of backbone atoms in res. A[7..36],A[42..48],A[51..58],A[60..91],for model 8 is: 0.689
> Kabsch RMSD of backbone atoms in res. A[7..36],A[42..48],A[51..58],A[60..91],for model 9 is: 0.680
> Kabsch RMSD of backbone atoms in res. A[7..36],A[42..48],A[51..58],A[60..91],for model 10 is: 0.503
> Kabsch RMSD of backbone atoms in res. A[7..36],A[42..48],A[51..58],A[60..91],for model 11 is: 0.926
> Kabsch RMSD of backbone atoms in res. A[7..36],A[42..48],A[51..58],A[60..91],for model 12 is: 0.629
> Kabsch RMSD of backbone atoms in res. A[7..36],A[42..48],A[51..58],A[60..91],for model 13 is: 0.312 (*)
> Kabsch RMSD of backbone atoms in res. A[7..36],A[42..48],A[51..58],A[60..91],for model 14 is: 0.461
> Kabsch RMSD of backbone atoms in res. A[7..36],A[42..48],A[51..58],A[60..91],for model 15 is: 0.479
> Kabsch RMSD of backbone atoms in res. A[7..36],A[42..48],A[51..58],A[60..91],for model 16 is: 0.506
> Kabsch RMSD of backbone atoms in res. A[7..36],A[42..48],A[51..58],A[60..91],for model 17 is: 0.515
> Kabsch RMSD of backbone atoms in res. A[7..36],A[42..48],A[51..58],A[60..91],for model 18 is: 0.458
> Kabsch RMSD of backbone atoms in res. A[7..36],A[42..48],A[51..58],A[60..91],for model 19 is: 0.637
> Kabsch RMSD of backbone atoms in res. A[7..36],A[42..48],A[51..58],A[60..91],for model 20 is: 0.503
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[7..36],[42..48],[51..58],[60..91], is: 0.603
> Range of RMSD values to reference struct. is 0.312 to 0.926
> Kabsch RMSD of heavy atoms in res. A[7..36],A[42..48],A[51..58],A[60..91],for model 1 is: 1.345
> Kabsch RMSD of heavy atoms in res. A[7..36],A[42..48],A[51..58],A[60..91],for model 2 is: 0.900
> Kabsch RMSD of heavy atoms in res. A[7..36],A[42..48],A[51..58],A[60..91],for model 3 is: 0.807
> Kabsch RMSD of heavy atoms in res. A[7..36],A[42..48],A[51..58],A[60..91],for model 4 is: 1.113
> Kabsch RMSD of heavy atoms in res. A[7..36],A[42..48],A[51..58],A[60..91],for model 5 is: 1.234
> Kabsch RMSD of heavy atoms in res. A[7..36],A[42..48],A[51..58],A[60..91],for model 6 is: 0.902
> Kabsch RMSD of heavy atoms in res. A[7..36],A[42..48],A[51..58],A[60..91],for model 7 is: 1.386
> Kabsch RMSD of heavy atoms in res. A[7..36],A[42..48],A[51..58],A[60..91],for model 8 is: 1.047
> Kabsch RMSD of heavy atoms in res. A[7..36],A[42..48],A[51..58],A[60..91],for model 9 is: 1.153
> Kabsch RMSD of heavy atoms in res. A[7..36],A[42..48],A[51..58],A[60..91],for model 10 is: 0.795
> Kabsch RMSD of heavy atoms in res. A[7..36],A[42..48],A[51..58],A[60..91],for model 11 is: 1.149
> Kabsch RMSD of heavy atoms in res. A[7..36],A[42..48],A[51..58],A[60..91],for model 12 is: 1.023
> Kabsch RMSD of heavy atoms in res. A[7..36],A[42..48],A[51..58],A[60..91],for model 13 is: 0.626 (*)
> Kabsch RMSD of heavy atoms in res. A[7..36],A[42..48],A[51..58],A[60..91],for model 14 is: 0.871
> Kabsch RMSD of heavy atoms in res. A[7..36],A[42..48],A[51..58],A[60..91],for model 15 is: 0.751
> Kabsch RMSD of heavy atoms in res. A[7..36],A[42..48],A[51..58],A[60..91],for model 16 is: 0.770
> Kabsch RMSD of heavy atoms in res. A[7..36],A[42..48],A[51..58],A[60..91],for model 17 is: 0.780
> Kabsch RMSD of heavy atoms in res. A[7..36],A[42..48],A[51..58],A[60..91],for model 18 is: 0.803
> Kabsch RMSD of heavy atoms in res. A[7..36],A[42..48],A[51..58],A[60..91],for model 19 is: 1.139
> Kabsch RMSD of heavy atoms in res. A[7..36],A[42..48],A[51..58],A[60..91],for model 20 is: 0.811
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[7..36],[42..48],[51..58],[60..91], is: 0.970
> Range of RMSD values to reference struct. is 0.626 to 1.386
Text report of backbone RMSD for entire protein
> Kabsch RMSD of backb atoms in res. *[1..114],for model 1 is: 4.518
> Kabsch RMSD of backb atoms in res. *[1..114],for model 2 is: 4.023
> Kabsch RMSD of backb atoms in res. *[1..114],for model 3 is: 6.419
> Kabsch RMSD of backb atoms in res. *[1..114],for model 4 is: 6.711
> Kabsch RMSD of backb atoms in res. *[1..114],for model 5 is: 15.706
> Kabsch RMSD of backb atoms in res. *[1..114],for model 6 is: 6.962
> Kabsch RMSD of backb atoms in res. *[1..114],for model 7 is: 8.015
> Kabsch RMSD of backb atoms in res. *[1..114],for model 8 is: 4.760
> Kabsch RMSD of backb atoms in res. *[1..114],for model 9 is: 13.406
> Kabsch RMSD of backb atoms in res. *[1..114],for model 10 is: 5.031
> Kabsch RMSD of backb atoms in res. *[1..114],for model 11 is: 6.617
> Kabsch RMSD of backb atoms in res. *[1..114],for model 12 is: 4.800
> Kabsch RMSD of backb atoms in res. *[1..114],for model 13 is: 5.703
> Kabsch RMSD of backb atoms in res. *[1..114],for model 14 is: 4.345
> Kabsch RMSD of backb atoms in res. *[1..114],for model 15 is: 6.712
> Kabsch RMSD of backb atoms in res. *[1..114],for model 16 is: 11.917
> Kabsch RMSD of backb atoms in res. *[1..114],for model 17 is: 3.772 (*)
> Kabsch RMSD of backb atoms in res. *[1..114],for model 18 is: 6.988
> Kabsch RMSD of backb atoms in res. *[1..114],for model 19 is: 7.979
> Kabsch RMSD of backb atoms in res. *[1..114],for model 20 is: 5.204
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..114], is: 6.979
> Range of RMSD values to reference struct. is 3.772 to 15.706
Text report of heavy atom RMSD for entire protein
> Kabsch RMSD of heavy atoms in res. *[1..114],for model 1 is: 5.070
> Kabsch RMSD of heavy atoms in res. *[1..114],for model 2 is: 4.558
> Kabsch RMSD of heavy atoms in res. *[1..114],for model 3 is: 7.025
> Kabsch RMSD of heavy atoms in res. *[1..114],for model 4 is: 7.411
> Kabsch RMSD of heavy atoms in res. *[1..114],for model 5 is: 17.181
> Kabsch RMSD of heavy atoms in res. *[1..114],for model 6 is: 7.435
> Kabsch RMSD of heavy atoms in res. *[1..114],for model 7 is: 8.995
> Kabsch RMSD of heavy atoms in res. *[1..114],for model 8 is: 5.265
> Kabsch RMSD of heavy atoms in res. *[1..114],for model 9 is: 14.698
> Kabsch RMSD of heavy atoms in res. *[1..114],for model 10 is: 5.712
> Kabsch RMSD of heavy atoms in res. *[1..114],for model 11 is: 7.562
> Kabsch RMSD of heavy atoms in res. *[1..114],for model 12 is: 5.560
> Kabsch RMSD of heavy atoms in res. *[1..114],for model 13 is: 6.063
> Kabsch RMSD of heavy atoms in res. *[1..114],for model 14 is: 4.897
> Kabsch RMSD of heavy atoms in res. *[1..114],for model 15 is: 7.382
> Kabsch RMSD of heavy atoms in res. *[1..114],for model 16 is: 13.218
> Kabsch RMSD of heavy atoms in res. *[1..114],for model 17 is: 4.370 (*)
> Kabsch RMSD of heavy atoms in res. *[1..114],for model 18 is: 7.843
> Kabsch RMSD of heavy atoms in res. *[1..114],for model 19 is: 8.784
> Kabsch RMSD of heavy atoms in res. *[1..114],for model 20 is: 5.599
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..114], is: 7.731
> Range of RMSD values to reference struct. is 4.370 to 17.181
Summary of heavy atom and backbone RMSDs over the whole protein and ordered residues
RMSD Values
all residues ordered residues selected residues
All backbone atoms 7.0 0.6 0.6
All heavy atoms 7.7 1.0 1.0
Contact Map (constraints list and 3D Coordinates)
JPEG image of Contact Map for Constraints
JPEG image of Contact Map for Coordinates
Output from PROCHECK
Ramachandran Plot for all models
Text summary of Ramachandran Plot
+----------<<< P R O C H E C K S U M M A R Y >>>----------+
| |
| LKR112_R3_em_bcr3_020.rin 0.0 1580 residues |
| |
+| Ramachandran plot: 86.8% core 13.1% allow 0.1% gener 0.0% disall |
| |
+| All Ramachandrans: 28 labelled residues (out of1580) |
+| Chi1-chi2 plots: 5 labelled residues (out of1000) |
JPEG image for all model Ramachandran Plot
Residue Properties for all models
JPEG for all model Residue Properties - page $num_n
JPEG for all model Residue Properties - page $num_n
Model Secondary Structures from Procheck
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
Ramachandran Plots for each residue
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
Ramachandran analysis for each residue from Molprobity
Chi1-Chi2 Plots for each residue
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
Procheck G-factors for phi-psi for each residue
JPEG image for residue phi-psi G-factors
Table of Procheck G-factors for phi-psi for ordered residues
#phipsi_gfactor
#Residue\Model average
7 -0.83
8 0.12
9 0.29
10 -1.48
11 -0.29
12 0.11
13 -0.08
14 -0.81
15 0.14
16 0.89
17 -0.27
18 -0.51
19 -1.74
20 -1.93
21 -1.04
22 -0.14
23 0.43
24 -1.67
25 -1.06
26 0.87
27 -1.86
28 -0.56
29 -0.38
30 -0.35
31 -0.71
32 -0.56
33 -0.90
34 -0.15
35 -0.04
36 -0.67
41 -1.40
42 -0.20
43 -1.14
44 -0.33
45 -0.31
46 -0.76
47 -0.30
48 -0.80
51 -0.45
52 -0.52
53 -0.71
54 -0.33
55 -0.94
56 -0.88
57 -1.22
58 -0.92
59 -0.29
60 -0.04
61 -0.66
62 -0.93
63 0.49
64 0.70
65 0.74
66 0.08
67 0.71
68 -0.26
69 -0.18
70 -0.26
71 -3.29
72 -0.47
73 -1.06
74 -0.58
75 -0.22
76 0.22
77 0.22
78 0.49
79 -1.81
80 1.07
81 0.42
82 -0.40
83 -1.04
84 0.24
85 -0.37
86 0.25
87 -0.71
88 -0.08
89 -0.39
90 0.04
91 -0.09
#Reported_Model_Average -0.428
#Overall_Average_Reported -0.428
Procheck G-factors for all dihedral angles for each residue
JPEG image for residue all dihedral G-factors
Table of Procheck G-factors for all dihedrals for ordered residues
#alldih_gfactor
#Residue\Model average
7 0.06
8 0.13
9 0.47
10 -1.48
11 0.23
12 0.43
13 0.37
14 -0.12
15 0.59
16 0.89
17 0.41
18 0.09
19 -0.82
20 -1.06
21 -0.07
22 0.37
23 0.43
24 -0.40
25 -0.14
26 0.87
27 -0.88
28 0.22
29 -0.38
30 -0.03
31 0.01
32 0.31
33 -0.19
34 0.32
35 0.26
36 0.24
41 -0.24
42 -0.31
43 -0.66
44 0.07
45 0.23
46 -0.03
47 0.18
48 -0.34
51 -0.34
52 -0.47
53 -0.76
54 0.27
55 -0.09
56 0.00
57 -1.08
58 -0.36
59 0.01
60 -0.04
61 -0.02
62 -0.12
63 0.61
64 0.70
65 0.69
66 0.66
67 0.73
68 -0.26
69 0.55
70 0.01
71 -1.31
72 0.36
73 -1.06
74 -0.58
75 0.35
76 0.33
77 0.50
78 0.58
79 -0.76
80 0.86
81 0.42
82 -0.12
83 0.01
84 0.47
85 0.07
86 0.36
87 0.07
88 -0.14
89 0.23
90 -0.01
91 0.19
#Reported_Model_Average 0.019
#Overall_Average_Reported 0.019
Output from Verify3D
Verify3D Score over a window of $winsize_s residues
JPEG image for Verify3D Score
Table of Verify3D scores for ordered residues across all models
#verify3d
#Residue\Model 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
7 -0.59 0.28 0.28 -0.59 0.28 0.28 -1.13 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
8 0.16 0.16 0.16 0.16 0.16 0.16 0.71 0.44 0.16 0.71 0.16 0.16 0.71 0.71 0.08 0.16 0.16 0.16 0.16 0.71
9 0.71 0.71 0.44 0.71 0.71 0.44 0.71 0.71 0.71 0.71 0.44 0.44 0.44 0.71 0.71 0.71 0.71 0.71 0.44 0.44
10 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59
11 1.07 0.26 1.07 1.50 0.26 0.26 0.09 0.26 1.07 0.26 0.09 0.26 1.07 1.07 1.07 0.09 0.26 0.26 0.26 0.26
12 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50
13 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
14 0.52 0.52 0.52 0.52 0.52 0.52 -0.79 -0.79 0.52 0.52 -0.79 0.52 -0.79 0.52 0.52 0.52 -0.79 0.52 -0.79 -0.79
15 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.41 0.51 0.51 -0.26 0.51 0.51 0.51
16 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
17 -1.54 0.55 0.55 -1.54 0.55 -1.54 -1.54 -1.54 -1.54 -1.54 0.55 0.55 -1.54 0.55 -1.54 -1.54 0.55 -1.54 0.55 -1.54
18 0.08 0.08 0.71 0.71 0.08 0.08 0.08 0.08 0.08 0.08 0.44 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.44 0.08
19 1.07 0.26 1.07 1.50 0.26 0.26 0.26 0.26 0.26 0.26 0.26 0.26 0.26 1.07 0.26 0.09 1.07 0.26 0.26 0.26
20 0.19 0.19 0.84 0.84 -0.41 0.84 0.84 0.19 0.84 0.19 -0.41 0.19 0.84 0.84 0.84 0.19 0.84 0.84 0.84 0.19
21 0.41 0.41 -0.68 0.41 0.41 0.41 -0.20 -0.68 -0.68 0.41 -0.68 0.41 0.41 0.41 -0.68 0.41 0.41 -0.68 -0.68 0.41
22 1.50 1.50 1.07 1.50 1.50 1.07 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.07
23 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -0.65 -1.01 -1.01
24 0.77 0.77 1.06 1.06 1.06 1.06 1.06 0.77 0.77 0.77 0.77 0.77 1.06 0.77 0.77 0.77 0.77 0.77 1.06 1.06
25 0.55 0.55 0.08 0.55 0.08 0.55 0.55 0.55 0.55 0.08 0.55 0.55 0.55 0.08 0.55 0.55 0.08 0.55 0.55 0.55
26 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
27 1.04 1.04 1.04 1.04 1.04 1.04 1.04 1.04 1.04 1.04 1.04 1.04 1.04 1.04 1.04 1.04 1.04 1.04 1.04 1.04
28 0.47 0.47 0.47 0.47 0.47 -0.10 0.47 -0.10 -0.10 -0.10 -0.10 -0.10 0.47 -0.10 -0.10 -0.10 -0.10 -0.10 0.47 0.47
29 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
30 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00
31 -0.42 -0.42 0.41 -0.42 0.41 -0.42 0.41 -0.42 0.41 0.41 0.41 0.41 0.41 0.41 -0.42 0.41 -0.42 -0.42 0.41 -0.42
32 0.10 0.10 -2.38 0.52 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10
33 1.32 1.32 1.32 1.32 -0.56 1.32 0.37 1.32 0.37 1.32 1.32 1.32 0.37 0.37 0.37 1.32 1.32 1.32 0.37 1.32
34 0.95 0.79 0.95 0.95 0.79 0.79 0.95 0.95 0.79 0.95 0.95 0.95 0.95 0.79 0.95 0.79 0.95 0.79 0.95 0.79
35 1.07 1.50 1.50 1.50 1.50 1.50 1.07 1.07 1.07 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.07 1.50
36 0.55 -1.54 0.55 0.55 0.55 -1.54 0.55 0.55 -1.54 -1.54 -1.54 0.55 -1.54 -1.54 -1.54 -1.54 -1.54 -1.54 -1.54 -1.54
41 -0.87 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.10 0.25 0.10 0.25 0.25 0.25 0.25 0.25 0.25 0.10
42 -0.30 1.09 1.09 1.09 -0.30 1.09 1.09 -0.30 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 -0.30 1.09
43 -2.18 -2.18 -2.18 -2.18 -2.18 -2.18 -2.18 -2.18 -2.18 -2.18 -2.18 -2.18 -2.18 -2.18 -2.18 -2.18 -2.18 -2.18 -2.18 -2.18
44 0.14 0.14 -1.33 0.14 -1.33 0.14 0.14 -1.33 0.14 -1.33 0.14 0.14 -0.81 0.14 0.14 0.14 -1.33 0.14 0.14 0.14
45 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
46 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42
47 1.18 1.18 1.18 1.18 1.18 0.71 1.18 1.18 0.71 0.71 0.71 0.71 1.18 0.71 0.71 0.71 1.18 0.71 1.18 1.18
48 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03
51 0.24 0.24 0.24 0.71 0.24 0.24 0.71 0.24 0.24 -0.44 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24
52 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
53 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84
54 1.07 1.07 1.07 1.07 1.50 1.07 1.07 1.07 1.07 1.50 1.07 1.50 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07
55 0.35 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.35 0.55
56 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41
57 -0.83 -1.97 -1.97 -1.97 -1.97 -1.97 -1.97 0.34 -1.97 -0.83 -1.97 -1.97 -1.97 -2.63 -1.97 -1.97 0.34 -1.97 -2.63 -1.97
58 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59
60 0.44 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.44 0.25 0.25 0.25 0.25 0.25 0.25 0.25
61 0.23 0.34 0.51 0.34 0.51 0.51 0.23 0.51 0.51 0.23 0.51 0.51 0.34 0.51 0.34 0.51 0.51 0.51 0.34 0.51
62 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25
63 -0.74 -0.09 -0.09 -0.09 -0.09 1.00 -0.09 -0.09 -0.09 -0.09 -0.74 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09
64 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
65 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74
66 0.47 -0.10 0.47 -0.10 -0.10 0.47 0.47 0.47 -0.10 0.47 -0.10 0.47 0.47 -0.10 -0.10 0.47 -0.10 -0.10 -0.10 0.47
67 0.23 0.23 0.23 -0.83 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 -0.83
68 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
69 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12
70 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.47 0.47 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
71 0.17 0.17 0.17 0.59 0.17 0.17 0.17 0.34 0.59 0.17 0.17 0.17 0.17 0.17 0.17 0.59 0.59 0.17 0.59 0.17
72 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 0.47 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10
73 -0.25 0.49 0.49 -0.25 0.14 -0.25 0.14 -0.25 0.49 0.49 0.14 0.49 0.49 0.49 0.49 0.14 -0.25 0.49 -0.25 0.49
74 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
75 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34
76 0.79 0.95 0.79 0.79 0.79 0.95 0.79 0.79 0.79 0.95 0.95 0.95 0.95 0.95 0.95 0.79 0.95 0.95 0.79 0.79
77 1.50 1.50 1.07 1.50 1.50 1.07 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.07 1.50 1.50
78 0.71 0.71 0.44 0.44 0.44 1.18 0.44 0.44 0.44 0.44 0.44 0.71 0.44 0.44 1.18 0.44 0.44 0.44 0.44 0.44
79 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28
80 -0.68 -0.33 -1.14 -1.14 -0.68 -0.68 -0.68 -0.33 -0.68 -0.68 -1.14 -0.68 1.06 -1.14 -0.68 -0.68 -0.68 -1.14 -0.68 -0.33
81 0.59 0.64 0.64 0.64 0.64 0.44 0.64 0.64 0.64 0.64 0.64 0.64 -0.07 0.64 0.64 0.64 0.64 0.64 0.64 0.64
82 0.54 1.04 1.04 0.54 1.04 1.04 1.04 1.04 1.04 1.04 1.04 1.04 1.04 1.04 1.04 1.04 0.54 0.54 0.54 0.54
83 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.08 0.47 0.08 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.08
84 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 1.18 0.71 0.71 0.71 0.71
85 1.32 1.32 -0.56 -0.56 -0.56 1.32 -0.56 1.32 -0.56 0.37 0.37 0.37 1.32 0.37 -0.61 -0.56 1.32 -0.56 -0.56 0.37
86 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18
87 -0.42 -0.68 0.41 0.41 0.41 -0.42 0.41 0.41 0.41 -0.42 -0.20 -0.20 -0.20 -0.42 0.41 0.41 -0.20 0.41 0.41 -0.20
88 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.07 1.07 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50
89 0.55 0.55 0.35 -0.83 0.55 0.35 0.55 0.35 0.55 0.35 0.35 0.55 0.35 0.35 0.55 0.55 0.35 0.35 0.35 0.35
90 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
91 0.08 0.55 0.08 0.08 0.55 0.55 0.55 0.08 0.08 0.08 0.08 0.08 0.55 0.55 0.08 0.08 0.08 0.55 0.08 0.08
#Reported_Model_Average 0.417 0.456 0.426 0.436 0.406 0.427 0.413 0.403 0.390 0.406 0.381 0.482 0.443 0.438 0.395 0.413 0.429 0.379 0.366 0.377
#Overall_Average_Reported 0.414
Output from ProsaII
ProsaII Score over a window of $winsize_s residues
JPEG image for ProsaII Score
Table of Verify3D scores for ordered residues across all models
#verify3d
#Residue\Model 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
7 -0.59 0.28 0.28 -0.59 0.28 0.28 -1.13 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
8 0.16 0.16 0.16 0.16 0.16 0.16 0.71 0.44 0.16 0.71 0.16 0.16 0.71 0.71 0.08 0.16 0.16 0.16 0.16 0.71
9 0.71 0.71 0.44 0.71 0.71 0.44 0.71 0.71 0.71 0.71 0.44 0.44 0.44 0.71 0.71 0.71 0.71 0.71 0.44 0.44
10 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59
11 1.07 0.26 1.07 1.50 0.26 0.26 0.09 0.26 1.07 0.26 0.09 0.26 1.07 1.07 1.07 0.09 0.26 0.26 0.26 0.26
12 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50
13 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
14 0.52 0.52 0.52 0.52 0.52 0.52 -0.79 -0.79 0.52 0.52 -0.79 0.52 -0.79 0.52 0.52 0.52 -0.79 0.52 -0.79 -0.79
15 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.41 0.51 0.51 -0.26 0.51 0.51 0.51
16 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
17 -1.54 0.55 0.55 -1.54 0.55 -1.54 -1.54 -1.54 -1.54 -1.54 0.55 0.55 -1.54 0.55 -1.54 -1.54 0.55 -1.54 0.55 -1.54
18 0.08 0.08 0.71 0.71 0.08 0.08 0.08 0.08 0.08 0.08 0.44 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.44 0.08
19 1.07 0.26 1.07 1.50 0.26 0.26 0.26 0.26 0.26 0.26 0.26 0.26 0.26 1.07 0.26 0.09 1.07 0.26 0.26 0.26
20 0.19 0.19 0.84 0.84 -0.41 0.84 0.84 0.19 0.84 0.19 -0.41 0.19 0.84 0.84 0.84 0.19 0.84 0.84 0.84 0.19
21 0.41 0.41 -0.68 0.41 0.41 0.41 -0.20 -0.68 -0.68 0.41 -0.68 0.41 0.41 0.41 -0.68 0.41 0.41 -0.68 -0.68 0.41
22 1.50 1.50 1.07 1.50 1.50 1.07 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.07
23 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -0.65 -1.01 -1.01
24 0.77 0.77 1.06 1.06 1.06 1.06 1.06 0.77 0.77 0.77 0.77 0.77 1.06 0.77 0.77 0.77 0.77 0.77 1.06 1.06
25 0.55 0.55 0.08 0.55 0.08 0.55 0.55 0.55 0.55 0.08 0.55 0.55 0.55 0.08 0.55 0.55 0.08 0.55 0.55 0.55
26 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
27 1.04 1.04 1.04 1.04 1.04 1.04 1.04 1.04 1.04 1.04 1.04 1.04 1.04 1.04 1.04 1.04 1.04 1.04 1.04 1.04
28 0.47 0.47 0.47 0.47 0.47 -0.10 0.47 -0.10 -0.10 -0.10 -0.10 -0.10 0.47 -0.10 -0.10 -0.10 -0.10 -0.10 0.47 0.47
29 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
30 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00
31 -0.42 -0.42 0.41 -0.42 0.41 -0.42 0.41 -0.42 0.41 0.41 0.41 0.41 0.41 0.41 -0.42 0.41 -0.42 -0.42 0.41 -0.42
32 0.10 0.10 -2.38 0.52 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10
33 1.32 1.32 1.32 1.32 -0.56 1.32 0.37 1.32 0.37 1.32 1.32 1.32 0.37 0.37 0.37 1.32 1.32 1.32 0.37 1.32
34 0.95 0.79 0.95 0.95 0.79 0.79 0.95 0.95 0.79 0.95 0.95 0.95 0.95 0.79 0.95 0.79 0.95 0.79 0.95 0.79
35 1.07 1.50 1.50 1.50 1.50 1.50 1.07 1.07 1.07 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.07 1.50
36 0.55 -1.54 0.55 0.55 0.55 -1.54 0.55 0.55 -1.54 -1.54 -1.54 0.55 -1.54 -1.54 -1.54 -1.54 -1.54 -1.54 -1.54 -1.54
41 -0.87 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.10 0.25 0.10 0.25 0.25 0.25 0.25 0.25 0.25 0.10
42 -0.30 1.09 1.09 1.09 -0.30 1.09 1.09 -0.30 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 -0.30 1.09
43 -2.18 -2.18 -2.18 -2.18 -2.18 -2.18 -2.18 -2.18 -2.18 -2.18 -2.18 -2.18 -2.18 -2.18 -2.18 -2.18 -2.18 -2.18 -2.18 -2.18
44 0.14 0.14 -1.33 0.14 -1.33 0.14 0.14 -1.33 0.14 -1.33 0.14 0.14 -0.81 0.14 0.14 0.14 -1.33 0.14 0.14 0.14
45 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
46 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42
47 1.18 1.18 1.18 1.18 1.18 0.71 1.18 1.18 0.71 0.71 0.71 0.71 1.18 0.71 0.71 0.71 1.18 0.71 1.18 1.18
48 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03
51 0.24 0.24 0.24 0.71 0.24 0.24 0.71 0.24 0.24 -0.44 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24
52 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
53 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.84
54 1.07 1.07 1.07 1.07 1.50 1.07 1.07 1.07 1.07 1.50 1.07 1.50 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07
55 0.35 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.35 0.55
56 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41
57 -0.83 -1.97 -1.97 -1.97 -1.97 -1.97 -1.97 0.34 -1.97 -0.83 -1.97 -1.97 -1.97 -2.63 -1.97 -1.97 0.34 -1.97 -2.63 -1.97
58 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59
60 0.44 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.44 0.25 0.25 0.25 0.25 0.25 0.25 0.25
61 0.23 0.34 0.51 0.34 0.51 0.51 0.23 0.51 0.51 0.23 0.51 0.51 0.34 0.51 0.34 0.51 0.51 0.51 0.34 0.51
62 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25
63 -0.74 -0.09 -0.09 -0.09 -0.09 1.00 -0.09 -0.09 -0.09 -0.09 -0.74 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09
64 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
65 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74
66 0.47 -0.10 0.47 -0.10 -0.10 0.47 0.47 0.47 -0.10 0.47 -0.10 0.47 0.47 -0.10 -0.10 0.47 -0.10 -0.10 -0.10 0.47
67 0.23 0.23 0.23 -0.83 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 -0.83
68 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
69 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12
70 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.47 0.47 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
71 0.17 0.17 0.17 0.59 0.17 0.17 0.17 0.34 0.59 0.17 0.17 0.17 0.17 0.17 0.17 0.59 0.59 0.17 0.59 0.17
72 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 0.47 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10
73 -0.25 0.49 0.49 -0.25 0.14 -0.25 0.14 -0.25 0.49 0.49 0.14 0.49 0.49 0.49 0.49 0.14 -0.25 0.49 -0.25 0.49
74 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
75 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34
76 0.79 0.95 0.79 0.79 0.79 0.95 0.79 0.79 0.79 0.95 0.95 0.95 0.95 0.95 0.95 0.79 0.95 0.95 0.79 0.79
77 1.50 1.50 1.07 1.50 1.50 1.07 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.07 1.50 1.50
78 0.71 0.71 0.44 0.44 0.44 1.18 0.44 0.44 0.44 0.44 0.44 0.71 0.44 0.44 1.18 0.44 0.44 0.44 0.44 0.44
79 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28
80 -0.68 -0.33 -1.14 -1.14 -0.68 -0.68 -0.68 -0.33 -0.68 -0.68 -1.14 -0.68 1.06 -1.14 -0.68 -0.68 -0.68 -1.14 -0.68 -0.33
81 0.59 0.64 0.64 0.64 0.64 0.44 0.64 0.64 0.64 0.64 0.64 0.64 -0.07 0.64 0.64 0.64 0.64 0.64 0.64 0.64
82 0.54 1.04 1.04 0.54 1.04 1.04 1.04 1.04 1.04 1.04 1.04 1.04 1.04 1.04 1.04 1.04 0.54 0.54 0.54 0.54
83 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.08 0.47 0.08 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.08
84 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 1.18 0.71 0.71 0.71 0.71
85 1.32 1.32 -0.56 -0.56 -0.56 1.32 -0.56 1.32 -0.56 0.37 0.37 0.37 1.32 0.37 -0.61 -0.56 1.32 -0.56 -0.56 0.37
86 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18
87 -0.42 -0.68 0.41 0.41 0.41 -0.42 0.41 0.41 0.41 -0.42 -0.20 -0.20 -0.20 -0.42 0.41 0.41 -0.20 0.41 0.41 -0.20
88 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.07 1.07 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50
89 0.55 0.55 0.35 -0.83 0.55 0.35 0.55 0.35 0.55 0.35 0.35 0.55 0.35 0.35 0.55 0.55 0.35 0.35 0.35 0.35
90 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
91 0.08 0.55 0.08 0.08 0.55 0.55 0.55 0.08 0.08 0.08 0.08 0.08 0.55 0.55 0.08 0.08 0.08 0.55 0.08 0.08
#Reported_Model_Average 0.417 0.456 0.426 0.436 0.406 0.427 0.413 0.403 0.390 0.406 0.381 0.482 0.443 0.438 0.395 0.413 0.429 0.379 0.366 0.377
#Overall_Average_Reported 0.414
Output from MolProbity
VdW violations from MAGE
JPEG image for MAGE VdW violation
Table of MAGE VdW violations for ordered residues across all models
#mage_clash
#Residue\Model 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
7.000 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0
8.000 0 0 0 0 1 1 0 1 0 0 0 1 0 1 1 1 1 0 0 1
9.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0
10.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
11.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
12.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
13.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
14.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
15.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
16.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
17.000 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0
18.000 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
19.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
20.000 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0
21.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
22.000 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0
23.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0
24.000 0 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 1 0 0 2
25.000 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0
26.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
27.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
28.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
29.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
30.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
31.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
32.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
33.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
34.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
35.000 0 0 1 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0
36.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
41.000 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0
42.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
43.000 0 0 1 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0
44.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
45.000 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 0 1
46.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0
47.000 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0
48.000 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1
51.000 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1
52.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
53.000 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
54.000 1 0 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 0 1
55.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0
56.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
57.000 0 0 0 0 0 0 0 2 0 0 0 0 0 0 2 0 2 2 0 0
58.000 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0
59.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0
60.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
61.000 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
62.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
63.000 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0
64.000 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
65.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
66.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
67.000 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0
68.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
69.000 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
70.000 1 1 0 2 1 1 1 0 1 2 0 1 1 1 1 1 1 1 1 1
71.000 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
72.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
73.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0
74.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
75.000 1 1 0 1 1 1 1 0 1 2 0 1 1 1 1 1 1 1 1 1
76.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
77.000 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1
78.000 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0
79.000 0 1 0 1 0 0 1 0 1 1 0 0 1 1 1 1 0 1 1 1
80.000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1
81.000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
82.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
83.000 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0
84.000 0 1 0 1 0 0 1 0 1 1 0 0 1 1 1 1 0 1 1 1
85.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
86.000 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1
87.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
88.000 0 0 0 0 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0
89.000 0 0 0 2 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0
90.000 0 0 0 0 0 0 0 1 0 0 0 1 0 1 1 1 0 0 0 0
91.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
#Reported_Model_Average 0.101 0.139 0.190 0.253 0.177 0.190 0.127 0.101 0.127 0.165 0.063 0.127 0.241 0.203 0.241 0.177 0.152 0.177 0.152 0.190
#Overall_Average_Reported 0.165
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1787:A 75 ASP 2HB :A 70 LYS 2HB : -0.515: 0
: 1787:A 86 VAL HB :A 77 ILE HB : -0.478: 0
: 1787:A 81 PRO CD :A 80 LEU N : -0.467: 0
: 1787:A 45 MET SD :A 54 ILE 1HG1 : -0.422: 0
: 1787:A 110 HIS O :A 111 HIS 2HB : -0.400: 0
#sum2 ::2.80 clashscore : 2.80 clashscore B<40
#summary::1787 atoms:1787 atoms B<40:201128 potential dots:12570.0 A^2:5 bumps:5 bumps B<40:634.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1787:A 75 ASP 2HB :A 70 LYS 2HB : -0.555: 0
: 1787:A 86 VAL HB :A 77 ILE HB : -0.540: 0
: 1787:A 63 VAL 3HG2 :A 61 ASP 2HB : -0.462: 0
: 1787:A 81 PRO 2HD :A 80 LEU 2HB : -0.450: 0
: 1787:A 84 VAL HB :A 79 CYS 2HB : -0.423: 0
: 1787:A 78 VAL 2HG2 :A 105 PRO 2HD : -0.422: 0
#sum2 ::3.36 clashscore : 3.36 clashscore B<40
#summary::1787 atoms:1787 atoms B<40:201129 potential dots:12570.0 A^2:6 bumps:6 bumps B<40:588.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1787:A 43 ASN 1HB :A 35 ILE HB : -0.517: 0
: 1787:A 45 MET SD :A 54 ILE 1HG1 : -0.486: 0
: 1787:A 64 GLY 2HA :A 54 ILE 2HD1 : -0.404: 0
: 1787:A 53 ARG 2HG :A 69 TRP CE3 : -0.441: 0
: 1787:A 102 LEU HA :A 18 VAL HB : -0.425: 0
: 1787:A 80 LEU N :A 81 PRO CD : -0.419: 0
: 1787:A 51 ARG O :A 47 VAL HA : -0.406: 0
: 1787:A 86 VAL HB :A 77 ILE HB : -0.401: 0
#sum2 ::4.48 clashscore : 4.48 clashscore B<40
#summary::1787 atoms:1787 atoms B<40:200980 potential dots:12560.0 A^2:8 bumps:8 bumps B<40:649.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1787:A 41 GLN HA :A 58 ASN 2HB : -0.536: 0
: 1787:A 86 VAL HB :A 77 ILE HB : -0.505: 0
: 1787:A 89 LYS C :A 89 LYS 1HD : -0.477: 0
: 1787:A 51 ARG HE :A 69 TRP 2HB : -0.469: 0
: 1787:A 71 SER 2HB :A 70 LYS O : -0.465: 0
: 1787:A 75 ASP 2HB :A 70 LYS 2HB : -0.465: 0
: 1787:A 84 VAL HB :A 79 CYS 2HB : -0.455: 0
: 1787:A 81 PRO CD :A 80 LEU N : -0.420: 0
: 1787:A 45 MET SD :A 54 ILE 1HG1 : -0.417: 0
: 1787:A 47 VAL 1HG2 :A 22 ILE 1HG2 : -0.401: 0
#sum2 ::5.60 clashscore : 5.60 clashscore B<40
#summary::1787 atoms:1787 atoms B<40:201163 potential dots:12570.0 A^2:10 bumps:10 bumps B<40:621.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1787:A 51 ARG HE :A 48 ASP 2HB : -0.627: 0
: 1787:A 75 ASP 2HB :A 70 LYS 2HB : -0.547: 0
: 1787:A 86 VAL HB :A 77 ILE HB : -0.515: 0
: 1787:A 81 PRO CD :A 80 LEU N : -0.483: 0
: 1787:A 45 MET SD :A 54 ILE 1HG1 : -0.456: 0
: 1787:A 25 THR OG1 :A 7 GLU HA : -0.423: 0
: 1787:A 24 LEU 1HB :A 8 VAL 3HG2 : -0.404: 0
#sum2 ::3.92 clashscore : 3.92 clashscore B<40
#summary::1787 atoms:1787 atoms B<40:201369 potential dots:12590.0 A^2:7 bumps:7 bumps B<40:572.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1787:A 86 VAL HB :A 77 ILE HB : -0.486: 0
: 1787:A 81 PRO CD :A 80 LEU N : -0.471: 0
: 1787:A 45 MET SD :A 54 ILE 1HG1 : -0.448: 0
: 1787:A 24 LEU O :A 50 GLU 1HG : -0.446: 0
: 1787:A 24 LEU 1HB :A 8 VAL 3HG2 : -0.402: 0
: 1787:A 70 LYS 2HB :A 75 ASP CB : -0.441: 0
: 1787:A 22 ILE 2HG1 :A 20 ARG 2HG : -0.433: 0
: 1787:A 43 ASN 1HB :A 35 ILE HB : -0.406: 0
#sum2 ::4.48 clashscore : 4.48 clashscore B<40
#summary::1787 atoms:1787 atoms B<40:201044 potential dots:12570.0 A^2:8 bumps:8 bumps B<40:573.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1787:A 102 LEU N :A 102 LEU 3HD2 : -0.514: 0
: 1787:A 86 VAL HB :A 77 ILE HB : -0.511: 0
: 1787:A 75 ASP 2HB :A 70 LYS 2HB : -0.502: 0
: 1787:A 81 PRO CD :A 80 LEU N : -0.501: 0
: 1787:A 45 MET SD :A 54 ILE 1HG1 : -0.452: 0
: 1787:A 84 VAL HB :A 79 CYS 2HB : -0.432: 0
#sum2 ::3.36 clashscore : 3.36 clashscore B<40
#summary::1787 atoms:1787 atoms B<40:201295 potential dots:12580.0 A^2:6 bumps:6 bumps B<40:630.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1787:A 57 ASP OD1 :A 57 ASP C : -0.485: 0
: 1787:A 45 MET SD :A 54 ILE 1HG1 : -0.452: 0
: 1787:A 81 PRO CD :A 80 LEU N : -0.440: 0
: 1787:A 90 SER HA :A 8 VAL HA : -0.424: 0
#sum2 ::2.24 clashscore : 2.24 clashscore B<40
#summary::1787 atoms:1787 atoms B<40:201078 potential dots:12570.0 A^2:4 bumps:4 bumps B<40:612.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1787:A 75 ASP 2HB :A 70 LYS 2HB : -0.611: 0
: 1787:A 86 VAL HB :A 77 ILE HB : -0.491: 0
: 1787:A 81 PRO CD :A 80 LEU N : -0.481: 0
: 1787:A 54 ILE 1HG1 :A 45 MET 1HG : -0.436: 0
: 1787:A 84 VAL HB :A 79 CYS 2HB : -0.412: 0
#sum2 ::2.80 clashscore : 2.80 clashscore B<40
#summary::1787 atoms:1787 atoms B<40:201296 potential dots:12580.0 A^2:5 bumps:5 bumps B<40:556.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1787:A 75 ASP 2HB :A 70 LYS 2HB : -0.619: 0
: 1787:A 70 LYS 2HB :A 75 ASP CB : -0.410: 0
: 1787:A 86 VAL HB :A 77 ILE HB : -0.550: 0
: 1787:A 84 VAL HB :A 79 CYS 2HB : -0.451: 0
: 1787:A 81 PRO CD :A 80 LEU N : -0.434: 0
: 1787:A 45 MET SD :A 54 ILE 1HG1 : -0.434: 0
: 1787:A 83 LYS HA :A 103 ILE CG2 : -0.413: 0
#sum2 ::3.92 clashscore : 3.92 clashscore B<40
#summary::1787 atoms:1787 atoms B<40:201161 potential dots:12570.0 A^2:7 bumps:7 bumps B<40:614.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1787:A 81 PRO CD :A 80 LEU N : -0.453: 0
: 1787:A 45 MET SD :A 54 ILE 1HG1 : -0.435: 0
: 1787:A 104 VAL HB :A 17 LYS 1HG : -0.401: 0
#sum2 ::1.68 clashscore : 1.68 clashscore B<40
#summary::1787 atoms:1787 atoms B<40:201102 potential dots:12570.0 A^2:3 bumps:3 bumps B<40:595.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1787:A 75 ASP 2HB :A 70 LYS 2HB : -0.578: 0
: 1787:A 86 VAL HB :A 77 ILE HB : -0.448: 0
: 1787:A 90 SER HA :A 8 VAL HA : -0.436: 0
: 1787:A 80 LEU N :A 81 PRO CD : -0.426: 0
: 1787:A 45 MET SD :A 54 ILE 1HG1 : -0.405: 0
#sum2 ::2.80 clashscore : 2.80 clashscore B<40
#summary::1787 atoms:1787 atoms B<40:201261 potential dots:12580.0 A^2:5 bumps:5 bumps B<40:621.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1787:A 75 ASP 2HB :A 70 LYS 2HB : -0.550: 0
: 1787:A 45 MET SD :A 54 ILE 1HG1 : -0.525: 0
: 1787:A 88 ILE N :A 88 ILE 2HD1 : -0.501: 0
: 1787:A 84 VAL HB :A 79 CYS 2HB : -0.470: 0
: 1787:A 80 LEU N :A 81 PRO 1HD : -0.461: 0
: 1787:A 86 VAL HB :A 77 ILE HB : -0.456: 0
: 1787:A 102 LEU 2HD1 :A 102 LEU C : -0.448: 0
: 1787:A 83 LYS HA :A 104 VAL HB : -0.446: 0
: 1787:A 43 ASN 1HB :A 35 ILE HB : -0.421: 0
: 1787:A 25 THR OG1 :A 7 GLU HA : -0.412: 0
: 1787:A 63 VAL O :A 67 MET 1HG : -0.404: 0
#sum2 ::6.16 clashscore : 6.16 clashscore B<40
#summary::1787 atoms:1787 atoms B<40:201243 potential dots:12580.0 A^2:11 bumps:11 bumps B<40:600.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1787:A 75 ASP 2HB :A 70 LYS 2HB : -0.604: 0
: 1787:A 41 GLN HA :A 58 ASN 2HB : -0.551: 0
: 1787:A 86 VAL HB :A 77 ILE HB : -0.521: 0
: 1787:A 84 VAL HB :A 79 CYS 2HB : -0.476: 0
: 1787:A 88 ILE N :A 88 ILE 2HD1 : -0.476: 0
: 1787:A 81 PRO CD :A 80 LEU N : -0.470: 0
: 1787:A 90 SER HA :A 8 VAL HA : -0.428: 0
: 1787:A 45 MET SD :A 54 ILE 1HG1 : -0.402: 0
#sum2 ::4.48 clashscore : 4.48 clashscore B<40
#summary::1787 atoms:1787 atoms B<40:201329 potential dots:12580.0 A^2:8 bumps:8 bumps B<40:603.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1787:A 75 ASP 2HB :A 70 LYS 2HB : -0.533: 0
: 1787:A 86 VAL HB :A 77 ILE HB : -0.533: 0
: 1787:A 57 ASP OD1 :A 57 ASP C : -0.468: 0
: 1787:A 90 SER HA :A 8 VAL HA : -0.464: 0
: 1787:A 73 ALA HA :A 89 LYS HA : -0.459: 0
: 1787:A 81 PRO CD :A 80 LEU N : -0.451: 0
: 1787:A 78 VAL HB :A 102 LEU HA : -0.448: 0
: 1787:A 45 MET SD :A 54 ILE 1HG1 : -0.423: 0
: 1787:A 84 VAL HB :A 79 CYS 2HB : -0.420: 0
: 1787:A 9 VAL HA :A 23 PRO HA : -0.405: 0
#sum2 ::5.60 clashscore : 5.60 clashscore B<40
#summary::1787 atoms:1787 atoms B<40:201210 potential dots:12580.0 A^2:10 bumps:10 bumps B<40:598.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1787:A 75 ASP 2HB :A 70 LYS 2HB : -0.601: 0
: 1787:A 86 VAL HB :A 77 ILE HB : -0.535: 0
: 1787:A 45 MET SD :A 54 ILE 1HG1 : -0.499: 0
: 1787:A 90 SER HA :A 8 VAL HA : -0.478: 0
: 1787:A 81 PRO CD :A 80 LEU N : -0.469: 0
: 1787:A 22 ILE 2HG1 :A 20 ARG 2HG : -0.423: 0
: 1787:A 84 VAL HB :A 79 CYS 2HB : -0.419: 0
#sum2 ::3.92 clashscore : 3.92 clashscore B<40
#summary::1787 atoms:1787 atoms B<40:201229 potential dots:12580.0 A^2:7 bumps:7 bumps B<40:577.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1787:A 75 ASP 2HB :A 70 LYS 2HB : -0.596: 0
: 1787:A 50 GLU 1HG :A 50 GLU O : -0.525: 0
: 1787:A 86 VAL HB :A 77 ILE HB : -0.517: 0
: 1787:A 57 ASP OD1 :A 57 ASP C : -0.467: 0
: 1787:A 81 PRO CD :A 80 LEU N : -0.460: 0
: 1787:A 7 GLU HA :A 25 THR CB : -0.441: 0
: 1787:A 103 ILE 2HG1 :A 104 VAL 3HG2 : -0.415: 0
: 1787:A 24 LEU 1HB :A 8 VAL 3HG2 : -0.403: 0
#sum2 ::4.48 clashscore : 4.48 clashscore B<40
#summary::1787 atoms:1787 atoms B<40:201165 potential dots:12570.0 A^2:8 bumps:8 bumps B<40:632.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1787:A 75 ASP 2HB :A 70 LYS 2HB : -0.654: 0
: 1787:A 41 GLN HA :A 58 ASN 2HB : -0.557: 0
: 1787:A 81 PRO CD :A 80 LEU N : -0.488: 0
: 1787:A 57 ASP OD1 :A 57 ASP C : -0.466: 0
: 1787:A 86 VAL HB :A 77 ILE HB : -0.438: 0
: 1787:A 55 LYS 1HB :A 46 GLU 1HB : -0.429: 0
: 1787:A 84 VAL HB :A 79 CYS 2HB : -0.414: 0
#sum2 ::3.92 clashscore : 3.92 clashscore B<40
#summary::1787 atoms:1787 atoms B<40:201159 potential dots:12570.0 A^2:7 bumps:7 bumps B<40:558.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1787:A 75 ASP 2HB :A 70 LYS 2HB : -0.602: 0
: 1787:A 86 VAL HB :A 77 ILE HB : -0.527: 0
: 1787:A 6 ASP HA :A 92 GLN 2HG : -0.502: 0
: 1787:A 55 LYS 1HB :A 46 GLU 1HB : -0.496: 0
: 1787:A 81 PRO 1HG :A 59 SER 2HB : -0.448: 0
: 1787:A 51 ARG O :A 47 VAL HA : -0.423: 0
: 1787:A 84 VAL HB :A 79 CYS 2HB : -0.417: 0
#sum2 ::3.92 clashscore : 3.92 clashscore B<40
#summary::1787 atoms:1787 atoms B<40:201042 potential dots:12570.0 A^2:7 bumps:7 bumps B<40:580.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1787:A 51 ARG HE :A 48 ASP 2HB : -0.582: 0
: 1787:A 86 VAL HB :A 77 ILE HB : -0.555: 0
: 1787:A 75 ASP 2HB :A 70 LYS 2HB : -0.526: 0
: 1787:A 81 PRO CD :A 80 LEU N : -0.490: 0
: 1787:A 84 VAL HB :A 79 CYS 2HB : -0.484: 0
: 1787:A 24 LEU 1HB :A 8 VAL 3HG2 : -0.475: 0
: 1787:A 24 LEU O :A 50 GLU 1HG : -0.457: 0
: 1787:A 54 ILE 1HG1 :A 45 MET SD : -0.414: 0
: 1787:A 38 LYS 1HE :A 109 HIS 1HB : -0.411: 0
#sum2 ::5.04 clashscore : 5.04 clashscore B<40
#summary::1787 atoms:1787 atoms B<40:201201 potential dots:12580.0 A^2:9 bumps:9 bumps B<40:582.2 score
Output from PDB validation software
Summary from PDB validation
May. 10, 11:07:35 2013
[ Text modified to reflect that this was run under PSVS - Aneerban Bhattacharya: Dec 2005 ]
The following checks were made on :
-----------------------------------------
CLOSE CONTACTS
==> Distances smaller than 2.2 Angstroms are considered as close contacts
for heavy atoms, 1.6 Angstroms for hydrogens.
none
DISTANCES AND ANGLES
We have checked your intra and intermolecular distances and angles with the
procedures currently in place at PDB:
==> Bond and angle checks are performed by first computing the average rms
error for all bonds and angles relative to standard values for nucleotide
units [L. Clowney et al., Geometric Parameters in Nucleic Acids: Nitrogenous
Bases, J.Am.Chem.Soc. 1996, 118, 509-518; A. Gelbin et al., Geometric
Parameters in Nucleic Acids: Sugar and Phosphate Constituents, J.Am.Chem.Soc.
1996, 118, 519-529] and amino acid units [R.A. Engh and R. Huber, Accurate
Bond and Angle Parameters for X-ray protein structure refinement, Acta
Crystallogr. 1991, A47, 392-400]. Any bond or angle which deviates from the
dictionary values by more than six times this computed rms error is
identified as an outlier.
*** Covalent Bond Lengths:
The RMS deviation for covalent bonds relative to the standard
dictionary is 0.011 Angstroms
All covalent bonds lie within a 6.0*RMSD range about the
standard dictionary values.
*** Covalent Angle Values:
The RMS deviation for covalent angles relative to the standard
dictionary is 0.6 degrees.
The following table contains a list of the covalent bond angles
greater than 6.0*RMSD.
Deviation Residue Chain Sequence Model AT1 - AT2 - AT3 Bond Dictionary
Name ID Number Angle Value
--------------------------------------------------------------------------------
-7.5 CYS A 79 1 N - CA - CB 103.0 110.5
4.3 PRO A 98 1 N - CA - C 116.1 111.8
-7.6 CYS A 79 2 N - CA - CB 102.9 110.5
-7.4 CYS A 79 3 N - CA - CB 103.1 110.5
-7.6 CYS A 79 4 N - CA - CB 102.9 110.5
-7.4 CYS A 79 5 N - CA - CB 103.1 110.5
-7.7 CYS A 79 6 N - CA - CB 102.8 110.5
-7.6 CYS A 79 7 N - CA - CB 102.9 110.5
-7.7 CYS A 79 8 N - CA - CB 102.8 110.5
-7.7 CYS A 79 9 N - CA - CB 102.8 110.5
-7.7 CYS A 79 10 N - CA - CB 102.8 110.5
-7.7 CYS A 79 11 N - CA - CB 102.8 110.5
-7.7 CYS A 79 12 N - CA - CB 102.8 110.5
-7.4 CYS A 79 13 N - CA - CB 103.1 110.5
-7.7 CYS A 79 14 N - CA - CB 102.8 110.5
-7.7 CYS A 79 15 N - CA - CB 102.8 110.5
-7.6 CYS A 79 16 N - CA - CB 102.9 110.5
-7.7 CYS A 79 17 N - CA - CB 102.8 110.5
-7.6 CYS A 79 18 N - CA - CB 102.9 110.5
-7.7 CYS A 79 19 N - CA - CB 102.8 110.5
-7.7 CYS A 79 20 N - CA - CB 102.8 110.5
TORSION ANGLES
The torsion angle distributions have been checked. The postscript file of the
conformation rings showing the torsion angle distributions will be sent in a
separate E-mail message.
CHIRALITY
The chirality has been checked. O1P, O2P, and hydrogen atoms which do not
follow the convention defined in the IUBMB (Liebecq, C. Compendium of
Biochemical Nomenclature and Related Documents, 2nd ed.; Portland Press:
London and Chapel Hill, 1992) and IUPAC nomenclature (J.L. Markley, A. Bax,
Y. Arata, C.W. Hilbers, R. Kaptein, B.D. Sykes, P.E. Wright and K. Wüthrich,
Recommendations for the Presentation of NMR Structures of Proteins and
Nucleic Acids, Pure & Appl. Chem., Vol. 70, pp. 117-142, 1998) have been
standardized. Any other stereochemical violations are listed below.
E/Z NOMENCLATURE
E/Z nomenclature of hydrogens and/or nitrogens on Arg, Asn or Gln residues needs
to be corrected to conform with the standard for E/Z orientation presented in
[J.L. Markley, et al., Recommendations for the Presentation of NMR Structures of
Proteins and Nucleic Acids, Pure & Appl. Chem., 1998, 70, 117-142].
Model Chain Residue Residue Atom Name Original
Name Number Atom Name
----- ----- ------- ------- -------- ---------
1 A ASN 3 1HD2
1 A ASN 3 2HD2
1 A GLN 14 1HE2
1 A GLN 14 2HE2
1 A ASN 15 1HD2
1 A ASN 15 2HD2
1 A ASN 30 1HD2
1 A ASN 30 2HD2
1 A GLN 32 1HE2
1 A GLN 32 2HE2
1 A GLN 41 1HE2
1 A GLN 41 2HE2
1 A ASN 43 1HD2
1 A ASN 43 2HD2
1 A ASN 58 1HD2
1 A ASN 58 2HD2
1 A GLN 62 1HE2
1 A GLN 62 2HE2
1 A GLN 92 1HE2
1 A GLN 92 2HE2
1 A ASN 106 1HD2
1 A ASN 106 2HD2
2 A ASN 3 1HD2
2 A ASN 3 2HD2
2 A GLN 14 1HE2
2 A GLN 14 2HE2
2 A ASN 15 1HD2
2 A ASN 15 2HD2
2 A ASN 30 1HD2
2 A ASN 30 2HD2
2 A GLN 32 1HE2
2 A GLN 32 2HE2
2 A GLN 41 1HE2
2 A GLN 41 2HE2
2 A ASN 43 1HD2
2 A ASN 43 2HD2
2 A ASN 58 1HD2
2 A ASN 58 2HD2
2 A GLN 62 1HE2
2 A GLN 62 2HE2
2 A GLN 92 1HE2
2 A GLN 92 2HE2
2 A ASN 106 1HD2
2 A ASN 106 2HD2
3 A ASN 3 1HD2
3 A ASN 3 2HD2
3 A GLN 14 1HE2
3 A GLN 14 2HE2
3 A ASN 15 1HD2
3 A ASN 15 2HD2
3 A ASN 30 1HD2
3 A ASN 30 2HD2
3 A GLN 32 1HE2
3 A GLN 32 2HE2
3 A GLN 41 1HE2
3 A GLN 41 2HE2
3 A ASN 43 1HD2
3 A ASN 43 2HD2
3 A ASN 58 1HD2
3 A ASN 58 2HD2
3 A GLN 62 1HE2
3 A GLN 62 2HE2
3 A GLN 92 1HE2
3 A GLN 92 2HE2
3 A ASN 106 1HD2
3 A ASN 106 2HD2
4 A ASN 3 1HD2
4 A ASN 3 2HD2
4 A GLN 14 1HE2
4 A GLN 14 2HE2
4 A ASN 15 1HD2
4 A ASN 15 2HD2
4 A ASN 30 1HD2
4 A ASN 30 2HD2
4 A GLN 32 1HE2
4 A GLN 32 2HE2
4 A GLN 41 1HE2
4 A GLN 41 2HE2
4 A ASN 43 1HD2
4 A ASN 43 2HD2
4 A ASN 58 1HD2
4 A ASN 58 2HD2
4 A GLN 62 1HE2
4 A GLN 62 2HE2
4 A GLN 92 1HE2
4 A GLN 92 2HE2
4 A ASN 106 1HD2
4 A ASN 106 2HD2
5 A ASN 3 1HD2
5 A ASN 3 2HD2
5 A GLN 14 1HE2
5 A GLN 14 2HE2
5 A ASN 15 1HD2
5 A ASN 15 2HD2
5 A ASN 30 1HD2
5 A ASN 30 2HD2
5 A GLN 32 1HE2
5 A GLN 32 2HE2
5 A GLN 41 1HE2
5 A GLN 41 2HE2
5 A ASN 43 1HD2
5 A ASN 43 2HD2
5 A ASN 58 1HD2
5 A ASN 58 2HD2
5 A GLN 62 1HE2
5 A GLN 62 2HE2
5 A GLN 92 1HE2
5 A GLN 92 2HE2
5 A ASN 106 1HD2
5 A ASN 106 2HD2
6 A ASN 3 1HD2
6 A ASN 3 2HD2
6 A GLN 14 1HE2
6 A GLN 14 2HE2
6 A ASN 15 1HD2
6 A ASN 15 2HD2
6 A ASN 30 1HD2
6 A ASN 30 2HD2
6 A GLN 32 1HE2
6 A GLN 32 2HE2
6 A GLN 41 1HE2
6 A GLN 41 2HE2
6 A ASN 43 1HD2
6 A ASN 43 2HD2
6 A ASN 58 1HD2
6 A ASN 58 2HD2
6 A GLN 62 1HE2
6 A GLN 62 2HE2
6 A GLN 92 1HE2
6 A GLN 92 2HE2
6 A ASN 106 1HD2
6 A ASN 106 2HD2
7 A ASN 3 1HD2
7 A ASN 3 2HD2
7 A GLN 14 1HE2
7 A GLN 14 2HE2
7 A ASN 15 1HD2
7 A ASN 15 2HD2
7 A ASN 30 1HD2
7 A ASN 30 2HD2
7 A GLN 32 1HE2
7 A GLN 32 2HE2
7 A GLN 41 1HE2
7 A GLN 41 2HE2
7 A ASN 43 1HD2
7 A ASN 43 2HD2
7 A ASN 58 1HD2
7 A ASN 58 2HD2
7 A GLN 62 1HE2
7 A GLN 62 2HE2
7 A GLN 92 1HE2
7 A GLN 92 2HE2
7 A ASN 106 1HD2
7 A ASN 106 2HD2
8 A ASN 3 1HD2
8 A ASN 3 2HD2
8 A GLN 14 1HE2
8 A GLN 14 2HE2
8 A ASN 15 1HD2
8 A ASN 15 2HD2
8 A ASN 30 1HD2
8 A ASN 30 2HD2
8 A GLN 32 1HE2
8 A GLN 32 2HE2
8 A GLN 41 1HE2
8 A GLN 41 2HE2
8 A ASN 43 1HD2
8 A ASN 43 2HD2
8 A ASN 58 1HD2
8 A ASN 58 2HD2
8 A GLN 62 1HE2
8 A GLN 62 2HE2
8 A GLN 92 1HE2
8 A GLN 92 2HE2
8 A ASN 106 1HD2
8 A ASN 106 2HD2
9 A ASN 3 1HD2
9 A ASN 3 2HD2
9 A GLN 14 1HE2
9 A GLN 14 2HE2
9 A ASN 15 1HD2
9 A ASN 15 2HD2
9 A ASN 30 1HD2
9 A ASN 30 2HD2
9 A GLN 32 1HE2
9 A GLN 32 2HE2
9 A GLN 41 1HE2
9 A GLN 41 2HE2
9 A ASN 43 1HD2
9 A ASN 43 2HD2
9 A ASN 58 1HD2
9 A ASN 58 2HD2
9 A GLN 62 1HE2
9 A GLN 62 2HE2
9 A GLN 92 1HE2
9 A GLN 92 2HE2
9 A ASN 106 1HD2
9 A ASN 106 2HD2
10 A ASN 3 1HD2
10 A ASN 3 2HD2
10 A GLN 14 1HE2
10 A GLN 14 2HE2
10 A ASN 15 1HD2
10 A ASN 15 2HD2
10 A ASN 30 1HD2
10 A ASN 30 2HD2
10 A GLN 32 1HE2
10 A GLN 32 2HE2
10 A GLN 41 1HE2
10 A GLN 41 2HE2
10 A ASN 43 1HD2
10 A ASN 43 2HD2
10 A ASN 58 1HD2
10 A ASN 58 2HD2
10 A GLN 62 1HE2
10 A GLN 62 2HE2
10 A GLN 92 1HE2
10 A GLN 92 2HE2
10 A ASN 106 1HD2
10 A ASN 106 2HD2
11 A ASN 3 1HD2
11 A ASN 3 2HD2
11 A GLN 14 1HE2
11 A GLN 14 2HE2
11 A ASN 15 1HD2
11 A ASN 15 2HD2
11 A ASN 30 1HD2
11 A ASN 30 2HD2
11 A GLN 32 1HE2
11 A GLN 32 2HE2
11 A GLN 41 1HE2
11 A GLN 41 2HE2
11 A ASN 43 1HD2
11 A ASN 43 2HD2
11 A ASN 58 1HD2
11 A ASN 58 2HD2
11 A GLN 62 1HE2
11 A GLN 62 2HE2
11 A GLN 92 1HE2
11 A GLN 92 2HE2
11 A ASN 106 1HD2
11 A ASN 106 2HD2
12 A ASN 3 1HD2
12 A ASN 3 2HD2
12 A GLN 14 1HE2
12 A GLN 14 2HE2
12 A ASN 15 1HD2
12 A ASN 15 2HD2
12 A ASN 30 1HD2
12 A ASN 30 2HD2
12 A GLN 32 1HE2
12 A GLN 32 2HE2
12 A GLN 41 1HE2
12 A GLN 41 2HE2
12 A ASN 43 1HD2
12 A ASN 43 2HD2
12 A ASN 58 1HD2
12 A ASN 58 2HD2
12 A GLN 62 1HE2
12 A GLN 62 2HE2
12 A GLN 92 1HE2
12 A GLN 92 2HE2
12 A ASN 106 1HD2
12 A ASN 106 2HD2
13 A ASN 3 1HD2
13 A ASN 3 2HD2
13 A GLN 14 1HE2
13 A GLN 14 2HE2
13 A ASN 15 1HD2
13 A ASN 15 2HD2
13 A ASN 30 1HD2
13 A ASN 30 2HD2
13 A GLN 32 1HE2
13 A GLN 32 2HE2
13 A GLN 41 1HE2
13 A GLN 41 2HE2
13 A ASN 43 1HD2
13 A ASN 43 2HD2
13 A ASN 58 1HD2
13 A ASN 58 2HD2
13 A GLN 62 1HE2
13 A GLN 62 2HE2
13 A GLN 92 1HE2
13 A GLN 92 2HE2
13 A ASN 106 1HD2
13 A ASN 106 2HD2
14 A ASN 3 1HD2
14 A ASN 3 2HD2
14 A GLN 14 1HE2
14 A GLN 14 2HE2
14 A ASN 15 1HD2
14 A ASN 15 2HD2
14 A ASN 30 1HD2
14 A ASN 30 2HD2
14 A GLN 32 1HE2
14 A GLN 32 2HE2
14 A GLN 41 1HE2
14 A GLN 41 2HE2
14 A ASN 43 1HD2
14 A ASN 43 2HD2
14 A ASN 58 1HD2
14 A ASN 58 2HD2
14 A GLN 62 1HE2
14 A GLN 62 2HE2
14 A GLN 92 1HE2
14 A GLN 92 2HE2
14 A ASN 106 1HD2
14 A ASN 106 2HD2
15 A ASN 3 1HD2
15 A ASN 3 2HD2
15 A GLN 14 1HE2
15 A GLN 14 2HE2
15 A ASN 15 1HD2
15 A ASN 15 2HD2
15 A ASN 30 1HD2
15 A ASN 30 2HD2
15 A GLN 32 1HE2
15 A GLN 32 2HE2
15 A GLN 41 1HE2
15 A GLN 41 2HE2
15 A ASN 43 1HD2
15 A ASN 43 2HD2
15 A ASN 58 1HD2
15 A ASN 58 2HD2
15 A GLN 62 1HE2
15 A GLN 62 2HE2
15 A GLN 92 1HE2
15 A GLN 92 2HE2
15 A ASN 106 1HD2
15 A ASN 106 2HD2
16 A ASN 3 1HD2
16 A ASN 3 2HD2
16 A GLN 14 1HE2
16 A GLN 14 2HE2
16 A ASN 15 1HD2
16 A ASN 15 2HD2
16 A ASN 30 1HD2
16 A ASN 30 2HD2
16 A GLN 32 1HE2
16 A GLN 32 2HE2
16 A GLN 41 1HE2
16 A GLN 41 2HE2
16 A ASN 43 1HD2
16 A ASN 43 2HD2
16 A ASN 58 1HD2
16 A ASN 58 2HD2
16 A GLN 62 1HE2
16 A GLN 62 2HE2
16 A GLN 92 1HE2
16 A GLN 92 2HE2
16 A ASN 106 1HD2
16 A ASN 106 2HD2
17 A ASN 3 1HD2
17 A ASN 3 2HD2
17 A GLN 14 1HE2
17 A GLN 14 2HE2
17 A ASN 15 1HD2
17 A ASN 15 2HD2
17 A ASN 30 1HD2
17 A ASN 30 2HD2
17 A GLN 32 1HE2
17 A GLN 32 2HE2
17 A GLN 41 1HE2
17 A GLN 41 2HE2
17 A ASN 43 1HD2
17 A ASN 43 2HD2
17 A ASN 58 1HD2
17 A ASN 58 2HD2
17 A GLN 62 1HE2
17 A GLN 62 2HE2
17 A GLN 92 1HE2
17 A GLN 92 2HE2
17 A ASN 106 1HD2
17 A ASN 106 2HD2
18 A ASN 3 1HD2
18 A ASN 3 2HD2
18 A GLN 14 1HE2
18 A GLN 14 2HE2
18 A ASN 15 1HD2
18 A ASN 15 2HD2
18 A ASN 30 1HD2
18 A ASN 30 2HD2
18 A GLN 32 1HE2
18 A GLN 32 2HE2
18 A GLN 41 1HE2
18 A GLN 41 2HE2
18 A ASN 43 1HD2
18 A ASN 43 2HD2
18 A ASN 58 1HD2
18 A ASN 58 2HD2
18 A GLN 62 1HE2
18 A GLN 62 2HE2
18 A GLN 92 1HE2
18 A GLN 92 2HE2
18 A ASN 106 1HD2
18 A ASN 106 2HD2
19 A ASN 3 1HD2
19 A ASN 3 2HD2
19 A GLN 14 1HE2
19 A GLN 14 2HE2
19 A ASN 15 1HD2
19 A ASN 15 2HD2
19 A ASN 30 1HD2
19 A ASN 30 2HD2
19 A GLN 32 1HE2
19 A GLN 32 2HE2
19 A GLN 41 1HE2
19 A GLN 41 2HE2
19 A ASN 43 1HD2
19 A ASN 43 2HD2
19 A ASN 58 1HD2
19 A ASN 58 2HD2
19 A GLN 62 1HE2
19 A GLN 62 2HE2
19 A GLN 92 1HE2
19 A GLN 92 2HE2
19 A ASN 106 1HD2
19 A ASN 106 2HD2
20 A ASN 3 1HD2
20 A ASN 3 2HD2
20 A GLN 14 1HE2
20 A GLN 14 2HE2
20 A ASN 15 1HD2
20 A ASN 15 2HD2
20 A ASN 30 1HD2
20 A ASN 30 2HD2
20 A GLN 32 1HE2
20 A GLN 32 2HE2
20 A GLN 41 1HE2
20 A GLN 41 2HE2
20 A ASN 43 1HD2
20 A ASN 43 2HD2
20 A ASN 58 1HD2
20 A ASN 58 2HD2
20 A GLN 62 1HE2
20 A GLN 62 2HE2
20 A GLN 92 1HE2
20 A GLN 92 2HE2
20 A ASN 106 1HD2
20 A ASN 106 2HD2
OTHER IMPORTANT ISSUES
==> The following residues are missing:
(Note: The SEQ number starts from 1 for each chain according to SEQRES
sequence record.)
RES MOD#C SEQ
MET( 1 A-113 )
LYS( 1 A-112 )
ASN( 1 A-111 )
THR( 1 A-110 )
GLY( 1 A-109 )
ASP( 1 A-108 )
GLU( 1 A-107 )
VAL( 1 A-106 )
VAL( 1 A-105 )
ALA( 1 A-104 )
ILE( 1 A-103 )
ILE( 1 A-102 )
SER( 1 A-101 )
GLN( 1 A-100 )
ASN( 1 A -99 )
GLY( 1 A -98 )
LYS( 1 A -97 )
VAL( 1 A -96 )
ILE( 1 A -95 )
ARG( 1 A -94 )
GLU( 1 A -93 )
ILE( 1 A -92 )
PRO( 1 A -91 )
LEU( 1 A -90 )
THR( 1 A -89 )
GLY( 1 A -88 )
HIS( 1 A -87 )
LYS( 1 A -86 )
GLY( 1 A -85 )
ASN( 1 A -84 )
GLU( 1 A -83 )
GLN( 1 A -82 )
PHE( 1 A -81 )
THR( 1 A -80 )
ILE( 1 A -79 )
LYS( 1 A -78 )
GLY( 1 A -77 )
LYS( 1 A -76 )
GLY( 1 A -75 )
ALA( 1 A -74 )
GLN( 1 A -73 )
TYR( 1 A -72 )
ASN( 1 A -71 )
LEU( 1 A -70 )
MET( 1 A -69 )
GLU( 1 A -68 )
VAL( 1 A -67 )
ASP( 1 A -66 )
GLY( 1 A -65 )
GLU( 1 A -64 )
ARG( 1 A -63 )
ILE( 1 A -62 )
ARG( 1 A -61 )
ILE( 1 A -60 )
LYS( 1 A -59 )
GLU( 1 A -58 )
ASP( 1 A -57 )
ASN( 1 A -56 )
SER( 1 A -55 )
PRO( 1 A -54 )
ASP( 1 A -53 )
GLN( 1 A -52 )
VAL( 1 A -51 )
GLY( 1 A -50 )
VAL( 1 A -49 )
LYS( 1 A -48 )
MET( 1 A -47 )
GLY( 1 A -46 )
TRP( 1 A -45 )
LYS( 1 A -44 )
SER( 1 A -43 )
LYS( 1 A -42 )
ALA( 1 A -41 )
GLY( 1 A -40 )
ASP( 1 A -39 )
THR( 1 A -38 )
ILE( 1 A -37 )
VAL( 1 A -36 )
CYS( 1 A -35 )
LEU( 1 A -34 )
PRO( 1 A -33 )
HIS( 1 A -32 )
LYS( 1 A -31 )
VAL( 1 A -30 )
PHE( 1 A -29 )
VAL( 1 A -28 )
GLU( 1 A -27 )
ILE( 1 A -26 )
LYS( 1 A -25 )
SER( 1 A -24 )
THR( 1 A -23 )
GLN( 1 A -22 )
LYS( 1 A -21 )
ASP( 1 A -20 )
SER( 1 A -19 )
LYS( 1 A -18 )
ASP( 1 A -17 )
PRO( 1 A -16 )
ASP( 1 A -15 )
THR( 1 A -14 )
ASP( 1 A -13 )
LEU( 1 A -12 )
ILE( 1 A -11 )
VAL( 1 A -10 )
PRO( 1 A -9 )
ASN( 1 A -8 )
LEU( 1 A -7 )
GLU( 1 A -6 )
HIS( 1 A -5 )
HIS( 1 A -4 )
HIS( 1 A -3 )
HIS( 1 A -2 )
HIS( 1 A -1 )
HIS( 1 A 0 )
MET( 2 A-113 )
LYS( 2 A-112 )
ASN( 2 A-111 )
THR( 2 A-110 )
GLY( 2 A-109 )
ASP( 2 A-108 )
GLU( 2 A-107 )
VAL( 2 A-106 )
VAL( 2 A-105 )
ALA( 2 A-104 )
ILE( 2 A-103 )
ILE( 2 A-102 )
SER( 2 A-101 )
GLN( 2 A-100 )
ASN( 2 A -99 )
GLY( 2 A -98 )
LYS( 2 A -97 )
VAL( 2 A -96 )
ILE( 2 A -95 )
ARG( 2 A -94 )
GLU( 2 A -93 )
ILE( 2 A -92 )
PRO( 2 A -91 )
LEU( 2 A -90 )
THR( 2 A -89 )
GLY( 2 A -88 )
HIS( 2 A -87 )
LYS( 2 A -86 )
GLY( 2 A -85 )
ASN( 2 A -84 )
GLU( 2 A -83 )
GLN( 2 A -82 )
PHE( 2 A -81 )
THR( 2 A -80 )
ILE( 2 A -79 )
LYS( 2 A -78 )
GLY( 2 A -77 )
LYS( 2 A -76 )
GLY( 2 A -75 )
ALA( 2 A -74 )
GLN( 2 A -73 )
TYR( 2 A -72 )
ASN( 2 A -71 )
LEU( 2 A -70 )
MET( 2 A -69 )
GLU( 2 A -68 )
VAL( 2 A -67 )
ASP( 2 A -66 )
GLY( 2 A -65 )
GLU( 2 A -64 )
ARG( 2 A -63 )
ILE( 2 A -62 )
ARG( 2 A -61 )
ILE( 2 A -60 )
LYS( 2 A -59 )
GLU( 2 A -58 )
ASP( 2 A -57 )
ASN( 2 A -56 )
SER( 2 A -55 )
PRO( 2 A -54 )
ASP( 2 A -53 )
GLN( 2 A -52 )
VAL( 2 A -51 )
GLY( 2 A -50 )
VAL( 2 A -49 )
LYS( 2 A -48 )
MET( 2 A -47 )
GLY( 2 A -46 )
TRP( 2 A -45 )
LYS( 2 A -44 )
SER( 2 A -43 )
LYS( 2 A -42 )
ALA( 2 A -41 )
GLY( 2 A -40 )
ASP( 2 A -39 )
THR( 2 A -38 )
ILE( 2 A -37 )
VAL( 2 A -36 )
CYS( 2 A -35 )
LEU( 2 A -34 )
PRO( 2 A -33 )
HIS( 2 A -32 )
LYS( 2 A -31 )
VAL( 2 A -30 )
PHE( 2 A -29 )
VAL( 2 A -28 )
GLU( 2 A -27 )
ILE( 2 A -26 )
LYS( 2 A -25 )
SER( 2 A -24 )
THR( 2 A -23 )
GLN( 2 A -22 )
LYS( 2 A -21 )
ASP( 2 A -20 )
SER( 2 A -19 )
LYS( 2 A -18 )
ASP( 2 A -17 )
PRO( 2 A -16 )
ASP( 2 A -15 )
THR( 2 A -14 )
ASP( 2 A -13 )
LEU( 2 A -12 )
ILE( 2 A -11 )
VAL( 2 A -10 )
PRO( 2 A -9 )
ASN( 2 A -8 )
LEU( 2 A -7 )
GLU( 2 A -6 )
HIS( 2 A -5 )
HIS( 2 A -4 )
HIS( 2 A -3 )
HIS( 2 A -2 )
HIS( 2 A -1 )
HIS( 2 A 0 )
MET( 3 A-113 )
LYS( 3 A-112 )
ASN( 3 A-111 )
THR( 3 A-110 )
GLY( 3 A-109 )
ASP( 3 A-108 )
GLU( 3 A-107 )
VAL( 3 A-106 )
VAL( 3 A-105 )
ALA( 3 A-104 )
ILE( 3 A-103 )
ILE( 3 A-102 )
SER( 3 A-101 )
GLN( 3 A-100 )
ASN( 3 A -99 )
GLY( 3 A -98 )
LYS( 3 A -97 )
VAL( 3 A -96 )
ILE( 3 A -95 )
ARG( 3 A -94 )
GLU( 3 A -93 )
ILE( 3 A -92 )
PRO( 3 A -91 )
LEU( 3 A -90 )
THR( 3 A -89 )
GLY( 3 A -88 )
HIS( 3 A -87 )
LYS( 3 A -86 )
GLY( 3 A -85 )
ASN( 3 A -84 )
GLU( 3 A -83 )
GLN( 3 A -82 )
PHE( 3 A -81 )
THR( 3 A -80 )
ILE( 3 A -79 )
LYS( 3 A -78 )
GLY( 3 A -77 )
LYS( 3 A -76 )
GLY( 3 A -75 )
ALA( 3 A -74 )
GLN( 3 A -73 )
TYR( 3 A -72 )
ASN( 3 A -71 )
LEU( 3 A -70 )
MET( 3 A -69 )
GLU( 3 A -68 )
VAL( 3 A -67 )
ASP( 3 A -66 )
GLY( 3 A -65 )
GLU( 3 A -64 )
ARG( 3 A -63 )
ILE( 3 A -62 )
ARG( 3 A -61 )
ILE( 3 A -60 )
LYS( 3 A -59 )
GLU( 3 A -58 )
ASP( 3 A -57 )
ASN( 3 A -56 )
SER( 3 A -55 )
PRO( 3 A -54 )
ASP( 3 A -53 )
GLN( 3 A -52 )
VAL( 3 A -51 )
GLY( 3 A -50 )
VAL( 3 A -49 )
LYS( 3 A -48 )
MET( 3 A -47 )
GLY( 3 A -46 )
TRP( 3 A -45 )
LYS( 3 A -44 )
SER( 3 A -43 )
LYS( 3 A -42 )
ALA( 3 A -41 )
GLY( 3 A -40 )
ASP( 3 A -39 )
THR( 3 A -38 )
ILE( 3 A -37 )
VAL( 3 A -36 )
CYS( 3 A -35 )
LEU( 3 A -34 )
PRO( 3 A -33 )
HIS( 3 A -32 )
LYS( 3 A -31 )
VAL( 3 A -30 )
PHE( 3 A -29 )
VAL( 3 A -28 )
GLU( 3 A -27 )
ILE( 3 A -26 )
LYS( 3 A -25 )
SER( 3 A -24 )
THR( 3 A -23 )
GLN( 3 A -22 )
LYS( 3 A -21 )
ASP( 3 A -20 )
SER( 3 A -19 )
LYS( 3 A -18 )
ASP( 3 A -17 )
PRO( 3 A -16 )
ASP( 3 A -15 )
THR( 3 A -14 )
ASP( 3 A -13 )
LEU( 3 A -12 )
ILE( 3 A -11 )
VAL( 3 A -10 )
PRO( 3 A -9 )
ASN( 3 A -8 )
LEU( 3 A -7 )
GLU( 3 A -6 )
HIS( 3 A -5 )
HIS( 3 A -4 )
HIS( 3 A -3 )
HIS( 3 A -2 )
HIS( 3 A -1 )
HIS( 3 A 0 )
MET( 4 A-113 )
LYS( 4 A-112 )
ASN( 4 A-111 )
THR( 4 A-110 )
GLY( 4 A-109 )
ASP( 4 A-108 )
GLU( 4 A-107 )
VAL( 4 A-106 )
VAL( 4 A-105 )
ALA( 4 A-104 )
ILE( 4 A-103 )
ILE( 4 A-102 )
SER( 4 A-101 )
GLN( 4 A-100 )
ASN( 4 A -99 )
GLY( 4 A -98 )
LYS( 4 A -97 )
VAL( 4 A -96 )
ILE( 4 A -95 )
ARG( 4 A -94 )
GLU( 4 A -93 )
ILE( 4 A -92 )
PRO( 4 A -91 )
LEU( 4 A -90 )
THR( 4 A -89 )
GLY( 4 A -88 )
HIS( 4 A -87 )
LYS( 4 A -86 )
GLY( 4 A -85 )
ASN( 4 A -84 )
GLU( 4 A -83 )
GLN( 4 A -82 )
PHE( 4 A -81 )
THR( 4 A -80 )
ILE( 4 A -79 )
LYS( 4 A -78 )
GLY( 4 A -77 )
LYS( 4 A -76 )
GLY( 4 A -75 )
ALA( 4 A -74 )
GLN( 4 A -73 )
TYR( 4 A -72 )
ASN( 4 A -71 )
LEU( 4 A -70 )
MET( 4 A -69 )
GLU( 4 A -68 )
VAL( 4 A -67 )
ASP( 4 A -66 )
GLY( 4 A -65 )
GLU( 4 A -64 )
ARG( 4 A -63 )
ILE( 4 A -62 )
ARG( 4 A -61 )
ILE( 4 A -60 )
LYS( 4 A -59 )
GLU( 4 A -58 )
ASP( 4 A -57 )
ASN( 4 A -56 )
SER( 4 A -55 )
PRO( 4 A -54 )
ASP( 4 A -53 )
GLN( 4 A -52 )
VAL( 4 A -51 )
GLY( 4 A -50 )
VAL( 4 A -49 )
LYS( 4 A -48 )
MET( 4 A -47 )
GLY( 4 A -46 )
TRP( 4 A -45 )
LYS( 4 A -44 )
SER( 4 A -43 )
LYS( 4 A -42 )
ALA( 4 A -41 )
GLY( 4 A -40 )
ASP( 4 A -39 )
THR( 4 A -38 )
ILE( 4 A -37 )
VAL( 4 A -36 )
CYS( 4 A -35 )
LEU( 4 A -34 )
PRO( 4 A -33 )
HIS( 4 A -32 )
LYS( 4 A -31 )
VAL( 4 A -30 )
PHE( 4 A -29 )
VAL( 4 A -28 )
GLU( 4 A -27 )
ILE( 4 A -26 )
LYS( 4 A -25 )
SER( 4 A -24 )
THR( 4 A -23 )
GLN( 4 A -22 )
LYS( 4 A -21 )
ASP( 4 A -20 )
SER( 4 A -19 )
LYS( 4 A -18 )
ASP( 4 A -17 )
PRO( 4 A -16 )
ASP( 4 A -15 )
THR( 4 A -14 )
ASP( 4 A -13 )
LEU( 4 A -12 )
ILE( 4 A -11 )
VAL( 4 A -10 )
PRO( 4 A -9 )
ASN( 4 A -8 )
LEU( 4 A -7 )
GLU( 4 A -6 )
HIS( 4 A -5 )
HIS( 4 A -4 )
HIS( 4 A -3 )
HIS( 4 A -2 )
HIS( 4 A -1 )
HIS( 4 A 0 )
MET( 5 A-113 )
LYS( 5 A-112 )
ASN( 5 A-111 )
THR( 5 A-110 )
GLY( 5 A-109 )
ASP( 5 A-108 )
GLU( 5 A-107 )
VAL( 5 A-106 )
VAL( 5 A-105 )
ALA( 5 A-104 )
ILE( 5 A-103 )
ILE( 5 A-102 )
SER( 5 A-101 )
GLN( 5 A-100 )
ASN( 5 A -99 )
GLY( 5 A -98 )
LYS( 5 A -97 )
VAL( 5 A -96 )
ILE( 5 A -95 )
ARG( 5 A -94 )
GLU( 5 A -93 )
ILE( 5 A -92 )
PRO( 5 A -91 )
LEU( 5 A -90 )
THR( 5 A -89 )
GLY( 5 A -88 )
HIS( 5 A -87 )
LYS( 5 A -86 )
GLY( 5 A -85 )
ASN( 5 A -84 )
GLU( 5 A -83 )
GLN( 5 A -82 )
PHE( 5 A -81 )
THR( 5 A -80 )
ILE( 5 A -79 )
LYS( 5 A -78 )
GLY( 5 A -77 )
LYS( 5 A -76 )
GLY( 5 A -75 )
ALA( 5 A -74 )
GLN( 5 A -73 )
TYR( 5 A -72 )
ASN( 5 A -71 )
LEU( 5 A -70 )
MET( 5 A -69 )
GLU( 5 A -68 )
VAL( 5 A -67 )
ASP( 5 A -66 )
GLY( 5 A -65 )
GLU( 5 A -64 )
ARG( 5 A -63 )
ILE( 5 A -62 )
ARG( 5 A -61 )
ILE( 5 A -60 )
LYS( 5 A -59 )
GLU( 5 A -58 )
ASP( 5 A -57 )
ASN( 5 A -56 )
SER( 5 A -55 )
PRO( 5 A -54 )
ASP( 5 A -53 )
GLN( 5 A -52 )
VAL( 5 A -51 )
GLY( 5 A -50 )
VAL( 5 A -49 )
LYS( 5 A -48 )
MET( 5 A -47 )
GLY( 5 A -46 )
TRP( 5 A -45 )
LYS( 5 A -44 )
SER( 5 A -43 )
LYS( 5 A -42 )
ALA( 5 A -41 )
GLY( 5 A -40 )
ASP( 5 A -39 )
THR( 5 A -38 )
ILE( 5 A -37 )
VAL( 5 A -36 )
CYS( 5 A -35 )
LEU( 5 A -34 )
PRO( 5 A -33 )
HIS( 5 A -32 )
LYS( 5 A -31 )
VAL( 5 A -30 )
PHE( 5 A -29 )
VAL( 5 A -28 )
GLU( 5 A -27 )
ILE( 5 A -26 )
LYS( 5 A -25 )
SER( 5 A -24 )
THR( 5 A -23 )
GLN( 5 A -22 )
LYS( 5 A -21 )
ASP( 5 A -20 )
SER( 5 A -19 )
LYS( 5 A -18 )
ASP( 5 A -17 )
PRO( 5 A -16 )
ASP( 5 A -15 )
THR( 5 A -14 )
ASP( 5 A -13 )
LEU( 5 A -12 )
ILE( 5 A -11 )
VAL( 5 A -10 )
PRO( 5 A -9 )
ASN( 5 A -8 )
LEU( 5 A -7 )
GLU( 5 A -6 )
HIS( 5 A -5 )
HIS( 5 A -4 )
HIS( 5 A -3 )
HIS( 5 A -2 )
HIS( 5 A -1 )
HIS( 5 A 0 )
MET( 6 A-113 )
LYS( 6 A-112 )
ASN( 6 A-111 )
THR( 6 A-110 )
GLY( 6 A-109 )
ASP( 6 A-108 )
GLU( 6 A-107 )
VAL( 6 A-106 )
VAL( 6 A-105 )
ALA( 6 A-104 )
ILE( 6 A-103 )
ILE( 6 A-102 )
SER( 6 A-101 )
GLN( 6 A-100 )
ASN( 6 A -99 )
GLY( 6 A -98 )
LYS( 6 A -97 )
VAL( 6 A -96 )
ILE( 6 A -95 )
ARG( 6 A -94 )
GLU( 6 A -93 )
ILE( 6 A -92 )
PRO( 6 A -91 )
LEU( 6 A -90 )
THR( 6 A -89 )
GLY( 6 A -88 )
HIS( 6 A -87 )
LYS( 6 A -86 )
GLY( 6 A -85 )
ASN( 6 A -84 )
GLU( 6 A -83 )
GLN( 6 A -82 )
PHE( 6 A -81 )
THR( 6 A -80 )
ILE( 6 A -79 )
LYS( 6 A -78 )
GLY( 6 A -77 )
LYS( 6 A -76 )
GLY( 6 A -75 )
ALA( 6 A -74 )
GLN( 6 A -73 )
TYR( 6 A -72 )
ASN( 6 A -71 )
LEU( 6 A -70 )
MET( 6 A -69 )
GLU( 6 A -68 )
VAL( 6 A -67 )
ASP( 6 A -66 )
GLY( 6 A -65 )
GLU( 6 A -64 )
ARG( 6 A -63 )
ILE( 6 A -62 )
ARG( 6 A -61 )
ILE( 6 A -60 )
LYS( 6 A -59 )
GLU( 6 A -58 )
ASP( 6 A -57 )
ASN( 6 A -56 )
SER( 6 A -55 )
PRO( 6 A -54 )
ASP( 6 A -53 )
GLN( 6 A -52 )
VAL( 6 A -51 )
GLY( 6 A -50 )
VAL( 6 A -49 )
LYS( 6 A -48 )
MET( 6 A -47 )
GLY( 6 A -46 )
TRP( 6 A -45 )
LYS( 6 A -44 )
SER( 6 A -43 )
LYS( 6 A -42 )
ALA( 6 A -41 )
GLY( 6 A -40 )
ASP( 6 A -39 )
THR( 6 A -38 )
ILE( 6 A -37 )
VAL( 6 A -36 )
CYS( 6 A -35 )
LEU( 6 A -34 )
PRO( 6 A -33 )
HIS( 6 A -32 )
LYS( 6 A -31 )
VAL( 6 A -30 )
PHE( 6 A -29 )
VAL( 6 A -28 )
GLU( 6 A -27 )
ILE( 6 A -26 )
LYS( 6 A -25 )
SER( 6 A -24 )
THR( 6 A -23 )
GLN( 6 A -22 )
LYS( 6 A -21 )
ASP( 6 A -20 )
SER( 6 A -19 )
LYS( 6 A -18 )
ASP( 6 A -17 )
PRO( 6 A -16 )
ASP( 6 A -15 )
THR( 6 A -14 )
ASP( 6 A -13 )
LEU( 6 A -12 )
ILE( 6 A -11 )
VAL( 6 A -10 )
PRO( 6 A -9 )
ASN( 6 A -8 )
LEU( 6 A -7 )
GLU( 6 A -6 )
HIS( 6 A -5 )
HIS( 6 A -4 )
HIS( 6 A -3 )
HIS( 6 A -2 )
HIS( 6 A -1 )
HIS( 6 A 0 )
MET( 7 A-113 )
LYS( 7 A-112 )
ASN( 7 A-111 )
THR( 7 A-110 )
GLY( 7 A-109 )
ASP( 7 A-108 )
GLU( 7 A-107 )
VAL( 7 A-106 )
VAL( 7 A-105 )
ALA( 7 A-104 )
ILE( 7 A-103 )
ILE( 7 A-102 )
SER( 7 A-101 )
GLN( 7 A-100 )
ASN( 7 A -99 )
GLY( 7 A -98 )
LYS( 7 A -97 )
VAL( 7 A -96 )
ILE( 7 A -95 )
ARG( 7 A -94 )
GLU( 7 A -93 )
ILE( 7 A -92 )
PRO( 7 A -91 )
LEU( 7 A -90 )
THR( 7 A -89 )
GLY( 7 A -88 )
HIS( 7 A -87 )
LYS( 7 A -86 )
GLY( 7 A -85 )
ASN( 7 A -84 )
GLU( 7 A -83 )
GLN( 7 A -82 )
PHE( 7 A -81 )
THR( 7 A -80 )
ILE( 7 A -79 )
LYS( 7 A -78 )
GLY( 7 A -77 )
LYS( 7 A -76 )
GLY( 7 A -75 )
ALA( 7 A -74 )
GLN( 7 A -73 )
TYR( 7 A -72 )
ASN( 7 A -71 )
LEU( 7 A -70 )
MET( 7 A -69 )
GLU( 7 A -68 )
VAL( 7 A -67 )
ASP( 7 A -66 )
GLY( 7 A -65 )
GLU( 7 A -64 )
ARG( 7 A -63 )
ILE( 7 A -62 )
ARG( 7 A -61 )
ILE( 7 A -60 )
LYS( 7 A -59 )
GLU( 7 A -58 )
ASP( 7 A -57 )
ASN( 7 A -56 )
SER( 7 A -55 )
PRO( 7 A -54 )
ASP( 7 A -53 )
GLN( 7 A -52 )
VAL( 7 A -51 )
GLY( 7 A -50 )
VAL( 7 A -49 )
LYS( 7 A -48 )
MET( 7 A -47 )
GLY( 7 A -46 )
TRP( 7 A -45 )
LYS( 7 A -44 )
SER( 7 A -43 )
LYS( 7 A -42 )
ALA( 7 A -41 )
GLY( 7 A -40 )
ASP( 7 A -39 )
THR( 7 A -38 )
ILE( 7 A -37 )
VAL( 7 A -36 )
CYS( 7 A -35 )
LEU( 7 A -34 )
PRO( 7 A -33 )
HIS( 7 A -32 )
LYS( 7 A -31 )
VAL( 7 A -30 )
PHE( 7 A -29 )
VAL( 7 A -28 )
GLU( 7 A -27 )
ILE( 7 A -26 )
LYS( 7 A -25 )
SER( 7 A -24 )
THR( 7 A -23 )
GLN( 7 A -22 )
LYS( 7 A -21 )
ASP( 7 A -20 )
SER( 7 A -19 )
LYS( 7 A -18 )
ASP( 7 A -17 )
PRO( 7 A -16 )
ASP( 7 A -15 )
THR( 7 A -14 )
ASP( 7 A -13 )
LEU( 7 A -12 )
ILE( 7 A -11 )
VAL( 7 A -10 )
PRO( 7 A -9 )
ASN( 7 A -8 )
LEU( 7 A -7 )
GLU( 7 A -6 )
HIS( 7 A -5 )
HIS( 7 A -4 )
HIS( 7 A -3 )
HIS( 7 A -2 )
HIS( 7 A -1 )
HIS( 7 A 0 )
MET( 8 A-113 )
LYS( 8 A-112 )
ASN( 8 A-111 )
THR( 8 A-110 )
GLY( 8 A-109 )
ASP( 8 A-108 )
GLU( 8 A-107 )
VAL( 8 A-106 )
VAL( 8 A-105 )
ALA( 8 A-104 )
ILE( 8 A-103 )
ILE( 8 A-102 )
SER( 8 A-101 )
GLN( 8 A-100 )
ASN( 8 A -99 )
GLY( 8 A -98 )
LYS( 8 A -97 )
VAL( 8 A -96 )
ILE( 8 A -95 )
ARG( 8 A -94 )
GLU( 8 A -93 )
ILE( 8 A -92 )
PRO( 8 A -91 )
LEU( 8 A -90 )
THR( 8 A -89 )
GLY( 8 A -88 )
HIS( 8 A -87 )
LYS( 8 A -86 )
GLY( 8 A -85 )
ASN( 8 A -84 )
GLU( 8 A -83 )
GLN( 8 A -82 )
PHE( 8 A -81 )
THR( 8 A -80 )
ILE( 8 A -79 )
LYS( 8 A -78 )
GLY( 8 A -77 )
LYS( 8 A -76 )
GLY( 8 A -75 )
ALA( 8 A -74 )
GLN( 8 A -73 )
TYR( 8 A -72 )
ASN( 8 A -71 )
LEU( 8 A -70 )
MET( 8 A -69 )
GLU( 8 A -68 )
VAL( 8 A -67 )
ASP( 8 A -66 )
GLY( 8 A -65 )
GLU( 8 A -64 )
ARG( 8 A -63 )
ILE( 8 A -62 )
ARG( 8 A -61 )
ILE( 8 A -60 )
LYS( 8 A -59 )
GLU( 8 A -58 )
ASP( 8 A -57 )
ASN( 8 A -56 )
SER( 8 A -55 )
PRO( 8 A -54 )
ASP( 8 A -53 )
GLN( 8 A -52 )
VAL( 8 A -51 )
GLY( 8 A -50 )
VAL( 8 A -49 )
LYS( 8 A -48 )
MET( 8 A -47 )
GLY( 8 A -46 )
TRP( 8 A -45 )
LYS( 8 A -44 )
SER( 8 A -43 )
LYS( 8 A -42 )
ALA( 8 A -41 )
GLY( 8 A -40 )
ASP( 8 A -39 )
THR( 8 A -38 )
ILE( 8 A -37 )
VAL( 8 A -36 )
CYS( 8 A -35 )
LEU( 8 A -34 )
PRO( 8 A -33 )
HIS( 8 A -32 )
LYS( 8 A -31 )
VAL( 8 A -30 )
PHE( 8 A -29 )
VAL( 8 A -28 )
GLU( 8 A -27 )
ILE( 8 A -26 )
LYS( 8 A -25 )
SER( 8 A -24 )
THR( 8 A -23 )
GLN( 8 A -22 )
LYS( 8 A -21 )
ASP( 8 A -20 )
SER( 8 A -19 )
LYS( 8 A -18 )
ASP( 8 A -17 )
PRO( 8 A -16 )
ASP( 8 A -15 )
THR( 8 A -14 )
ASP( 8 A -13 )
LEU( 8 A -12 )
ILE( 8 A -11 )
VAL( 8 A -10 )
PRO( 8 A -9 )
ASN( 8 A -8 )
LEU( 8 A -7 )
GLU( 8 A -6 )
HIS( 8 A -5 )
HIS( 8 A -4 )
HIS( 8 A -3 )
HIS( 8 A -2 )
HIS( 8 A -1 )
HIS( 8 A 0 )
MET( 9 A-113 )
LYS( 9 A-112 )
ASN( 9 A-111 )
THR( 9 A-110 )
GLY( 9 A-109 )
ASP( 9 A-108 )
GLU( 9 A-107 )
VAL( 9 A-106 )
VAL( 9 A-105 )
ALA( 9 A-104 )
ILE( 9 A-103 )
ILE( 9 A-102 )
SER( 9 A-101 )
GLN( 9 A-100 )
ASN( 9 A -99 )
GLY( 9 A -98 )
LYS( 9 A -97 )
VAL( 9 A -96 )
ILE( 9 A -95 )
ARG( 9 A -94 )
GLU( 9 A -93 )
ILE( 9 A -92 )
PRO( 9 A -91 )
LEU( 9 A -90 )
THR( 9 A -89 )
GLY( 9 A -88 )
HIS( 9 A -87 )
LYS( 9 A -86 )
GLY( 9 A -85 )
ASN( 9 A -84 )
GLU( 9 A -83 )
GLN( 9 A -82 )
PHE( 9 A -81 )
THR( 9 A -80 )
ILE( 9 A -79 )
LYS( 9 A -78 )
GLY( 9 A -77 )
LYS( 9 A -76 )
GLY( 9 A -75 )
ALA( 9 A -74 )
GLN( 9 A -73 )
TYR( 9 A -72 )
ASN( 9 A -71 )
LEU( 9 A -70 )
MET( 9 A -69 )
GLU( 9 A -68 )
VAL( 9 A -67 )
ASP( 9 A -66 )
GLY( 9 A -65 )
GLU( 9 A -64 )
ARG( 9 A -63 )
ILE( 9 A -62 )
ARG( 9 A -61 )
ILE( 9 A -60 )
LYS( 9 A -59 )
GLU( 9 A -58 )
ASP( 9 A -57 )
ASN( 9 A -56 )
SER( 9 A -55 )
PRO( 9 A -54 )
ASP( 9 A -53 )
GLN( 9 A -52 )
VAL( 9 A -51 )
GLY( 9 A -50 )
VAL( 9 A -49 )
LYS( 9 A -48 )
MET( 9 A -47 )
GLY( 9 A -46 )
TRP( 9 A -45 )
LYS( 9 A -44 )
SER( 9 A -43 )
LYS( 9 A -42 )
ALA( 9 A -41 )
GLY( 9 A -40 )
ASP( 9 A -39 )
THR( 9 A -38 )
ILE( 9 A -37 )
VAL( 9 A -36 )
CYS( 9 A -35 )
LEU( 9 A -34 )
PRO( 9 A -33 )
HIS( 9 A -32 )
LYS( 9 A -31 )
VAL( 9 A -30 )
PHE( 9 A -29 )
VAL( 9 A -28 )
GLU( 9 A -27 )
ILE( 9 A -26 )
LYS( 9 A -25 )
SER( 9 A -24 )
THR( 9 A -23 )
GLN( 9 A -22 )
LYS( 9 A -21 )
ASP( 9 A -20 )
SER( 9 A -19 )
LYS( 9 A -18 )
ASP( 9 A -17 )
PRO( 9 A -16 )
ASP( 9 A -15 )
THR( 9 A -14 )
ASP( 9 A -13 )
LEU( 9 A -12 )
ILE( 9 A -11 )
VAL( 9 A -10 )
PRO( 9 A -9 )
ASN( 9 A -8 )
LEU( 9 A -7 )
GLU( 9 A -6 )
HIS( 9 A -5 )
HIS( 9 A -4 )
HIS( 9 A -3 )
HIS( 9 A -2 )
HIS( 9 A -1 )
HIS( 9 A 0 )
MET( 10 A-113 )
LYS( 10 A-112 )
ASN( 10 A-111 )
THR( 10 A-110 )
GLY( 10 A-109 )
ASP( 10 A-108 )
GLU( 10 A-107 )
VAL( 10 A-106 )
VAL( 10 A-105 )
ALA( 10 A-104 )
ILE( 10 A-103 )
ILE( 10 A-102 )
SER( 10 A-101 )
GLN( 10 A-100 )
ASN( 10 A -99 )
GLY( 10 A -98 )
LYS( 10 A -97 )
VAL( 10 A -96 )
ILE( 10 A -95 )
ARG( 10 A -94 )
GLU( 10 A -93 )
ILE( 10 A -92 )
PRO( 10 A -91 )
LEU( 10 A -90 )
THR( 10 A -89 )
GLY( 10 A -88 )
HIS( 10 A -87 )
LYS( 10 A -86 )
GLY( 10 A -85 )
ASN( 10 A -84 )
GLU( 10 A -83 )
GLN( 10 A -82 )
PHE( 10 A -81 )
THR( 10 A -80 )
ILE( 10 A -79 )
LYS( 10 A -78 )
GLY( 10 A -77 )
LYS( 10 A -76 )
GLY( 10 A -75 )
ALA( 10 A -74 )
GLN( 10 A -73 )
TYR( 10 A -72 )
ASN( 10 A -71 )
LEU( 10 A -70 )
MET( 10 A -69 )
GLU( 10 A -68 )
VAL( 10 A -67 )
ASP( 10 A -66 )
GLY( 10 A -65 )
GLU( 10 A -64 )
ARG( 10 A -63 )
ILE( 10 A -62 )
ARG( 10 A -61 )
ILE( 10 A -60 )
LYS( 10 A -59 )
GLU( 10 A -58 )
ASP( 10 A -57 )
ASN( 10 A -56 )
SER( 10 A -55 )
PRO( 10 A -54 )
ASP( 10 A -53 )
GLN( 10 A -52 )
VAL( 10 A -51 )
GLY( 10 A -50 )
VAL( 10 A -49 )
LYS( 10 A -48 )
MET( 10 A -47 )
GLY( 10 A -46 )
TRP( 10 A -45 )
LYS( 10 A -44 )
SER( 10 A -43 )
LYS( 10 A -42 )
ALA( 10 A -41 )
GLY( 10 A -40 )
ASP( 10 A -39 )
THR( 10 A -38 )
ILE( 10 A -37 )
VAL( 10 A -36 )
CYS( 10 A -35 )
LEU( 10 A -34 )
PRO( 10 A -33 )
HIS( 10 A -32 )
LYS( 10 A -31 )
VAL( 10 A -30 )
PHE( 10 A -29 )
VAL( 10 A -28 )
GLU( 10 A -27 )
ILE( 10 A -26 )
LYS( 10 A -25 )
SER( 10 A -24 )
THR( 10 A -23 )
GLN( 10 A -22 )
LYS( 10 A -21 )
ASP( 10 A -20 )
SER( 10 A -19 )
LYS( 10 A -18 )
ASP( 10 A -17 )
PRO( 10 A -16 )
ASP( 10 A -15 )
THR( 10 A -14 )
ASP( 10 A -13 )
LEU( 10 A -12 )
ILE( 10 A -11 )
VAL( 10 A -10 )
PRO( 10 A -9 )
ASN( 10 A -8 )
LEU( 10 A -7 )
GLU( 10 A -6 )
HIS( 10 A -5 )
HIS( 10 A -4 )
HIS( 10 A -3 )
HIS( 10 A -2 )
HIS( 10 A -1 )
HIS( 10 A 0 )
MET( 11 A-113 )
LYS( 11 A-112 )
ASN( 11 A-111 )
THR( 11 A-110 )
GLY( 11 A-109 )
ASP( 11 A-108 )
GLU( 11 A-107 )
VAL( 11 A-106 )
VAL( 11 A-105 )
ALA( 11 A-104 )
ILE( 11 A-103 )
ILE( 11 A-102 )
SER( 11 A-101 )
GLN( 11 A-100 )
ASN( 11 A -99 )
GLY( 11 A -98 )
LYS( 11 A -97 )
VAL( 11 A -96 )
ILE( 11 A -95 )
ARG( 11 A -94 )
GLU( 11 A -93 )
ILE( 11 A -92 )
PRO( 11 A -91 )
LEU( 11 A -90 )
THR( 11 A -89 )
GLY( 11 A -88 )
HIS( 11 A -87 )
LYS( 11 A -86 )
GLY( 11 A -85 )
ASN( 11 A -84 )
GLU( 11 A -83 )
GLN( 11 A -82 )
PHE( 11 A -81 )
THR( 11 A -80 )
ILE( 11 A -79 )
LYS( 11 A -78 )
GLY( 11 A -77 )
LYS( 11 A -76 )
GLY( 11 A -75 )
ALA( 11 A -74 )
GLN( 11 A -73 )
TYR( 11 A -72 )
ASN( 11 A -71 )
LEU( 11 A -70 )
MET( 11 A -69 )
GLU( 11 A -68 )
VAL( 11 A -67 )
ASP( 11 A -66 )
GLY( 11 A -65 )
GLU( 11 A -64 )
ARG( 11 A -63 )
ILE( 11 A -62 )
ARG( 11 A -61 )
ILE( 11 A -60 )
LYS( 11 A -59 )
GLU( 11 A -58 )
ASP( 11 A -57 )
ASN( 11 A -56 )
SER( 11 A -55 )
PRO( 11 A -54 )
ASP( 11 A -53 )
GLN( 11 A -52 )
VAL( 11 A -51 )
GLY( 11 A -50 )
VAL( 11 A -49 )
LYS( 11 A -48 )
MET( 11 A -47 )
GLY( 11 A -46 )
TRP( 11 A -45 )
LYS( 11 A -44 )
SER( 11 A -43 )
LYS( 11 A -42 )
ALA( 11 A -41 )
GLY( 11 A -40 )
ASP( 11 A -39 )
THR( 11 A -38 )
ILE( 11 A -37 )
VAL( 11 A -36 )
CYS( 11 A -35 )
LEU( 11 A -34 )
PRO( 11 A -33 )
HIS( 11 A -32 )
LYS( 11 A -31 )
VAL( 11 A -30 )
PHE( 11 A -29 )
VAL( 11 A -28 )
GLU( 11 A -27 )
ILE( 11 A -26 )
LYS( 11 A -25 )
SER( 11 A -24 )
THR( 11 A -23 )
GLN( 11 A -22 )
LYS( 11 A -21 )
ASP( 11 A -20 )
SER( 11 A -19 )
LYS( 11 A -18 )
ASP( 11 A -17 )
PRO( 11 A -16 )
ASP( 11 A -15 )
THR( 11 A -14 )
ASP( 11 A -13 )
LEU( 11 A -12 )
ILE( 11 A -11 )
VAL( 11 A -10 )
PRO( 11 A -9 )
ASN( 11 A -8 )
LEU( 11 A -7 )
GLU( 11 A -6 )
HIS( 11 A -5 )
HIS( 11 A -4 )
HIS( 11 A -3 )
HIS( 11 A -2 )
HIS( 11 A -1 )
HIS( 11 A 0 )
MET( 12 A-113 )
LYS( 12 A-112 )
ASN( 12 A-111 )
THR( 12 A-110 )
GLY( 12 A-109 )
ASP( 12 A-108 )
GLU( 12 A-107 )
VAL( 12 A-106 )
VAL( 12 A-105 )
ALA( 12 A-104 )
ILE( 12 A-103 )
ILE( 12 A-102 )
SER( 12 A-101 )
GLN( 12 A-100 )
ASN( 12 A -99 )
GLY( 12 A -98 )
LYS( 12 A -97 )
VAL( 12 A -96 )
ILE( 12 A -95 )
ARG( 12 A -94 )
GLU( 12 A -93 )
ILE( 12 A -92 )
PRO( 12 A -91 )
LEU( 12 A -90 )
THR( 12 A -89 )
GLY( 12 A -88 )
HIS( 12 A -87 )
LYS( 12 A -86 )
GLY( 12 A -85 )
ASN( 12 A -84 )
GLU( 12 A -83 )
GLN( 12 A -82 )
PHE( 12 A -81 )
THR( 12 A -80 )
ILE( 12 A -79 )
LYS( 12 A -78 )
GLY( 12 A -77 )
LYS( 12 A -76 )
GLY( 12 A -75 )
ALA( 12 A -74 )
GLN( 12 A -73 )
TYR( 12 A -72 )
ASN( 12 A -71 )
LEU( 12 A -70 )
MET( 12 A -69 )
GLU( 12 A -68 )
VAL( 12 A -67 )
ASP( 12 A -66 )
GLY( 12 A -65 )
GLU( 12 A -64 )
ARG( 12 A -63 )
ILE( 12 A -62 )
ARG( 12 A -61 )
ILE( 12 A -60 )
LYS( 12 A -59 )
GLU( 12 A -58 )
ASP( 12 A -57 )
ASN( 12 A -56 )
SER( 12 A -55 )
PRO( 12 A -54 )
ASP( 12 A -53 )
GLN( 12 A -52 )
VAL( 12 A -51 )
GLY( 12 A -50 )
VAL( 12 A -49 )
LYS( 12 A -48 )
MET( 12 A -47 )
GLY( 12 A -46 )
TRP( 12 A -45 )
LYS( 12 A -44 )
SER( 12 A -43 )
LYS( 12 A -42 )
ALA( 12 A -41 )
GLY( 12 A -40 )
ASP( 12 A -39 )
THR( 12 A -38 )
ILE( 12 A -37 )
VAL( 12 A -36 )
CYS( 12 A -35 )
LEU( 12 A -34 )
PRO( 12 A -33 )
HIS( 12 A -32 )
LYS( 12 A -31 )
VAL( 12 A -30 )
PHE( 12 A -29 )
VAL( 12 A -28 )
GLU( 12 A -27 )
ILE( 12 A -26 )
LYS( 12 A -25 )
SER( 12 A -24 )
THR( 12 A -23 )
GLN( 12 A -22 )
LYS( 12 A -21 )
ASP( 12 A -20 )
SER( 12 A -19 )
LYS( 12 A -18 )
ASP( 12 A -17 )
PRO( 12 A -16 )
ASP( 12 A -15 )
THR( 12 A -14 )
ASP( 12 A -13 )
LEU( 12 A -12 )
ILE( 12 A -11 )
VAL( 12 A -10 )
PRO( 12 A -9 )
ASN( 12 A -8 )
LEU( 12 A -7 )
GLU( 12 A -6 )
HIS( 12 A -5 )
HIS( 12 A -4 )
HIS( 12 A -3 )
HIS( 12 A -2 )
HIS( 12 A -1 )
HIS( 12 A 0 )
MET( 13 A-113 )
LYS( 13 A-112 )
ASN( 13 A-111 )
THR( 13 A-110 )
GLY( 13 A-109 )
ASP( 13 A-108 )
GLU( 13 A-107 )
VAL( 13 A-106 )
VAL( 13 A-105 )
ALA( 13 A-104 )
ILE( 13 A-103 )
ILE( 13 A-102 )
SER( 13 A-101 )
GLN( 13 A-100 )
ASN( 13 A -99 )
GLY( 13 A -98 )
LYS( 13 A -97 )
VAL( 13 A -96 )
ILE( 13 A -95 )
ARG( 13 A -94 )
GLU( 13 A -93 )
ILE( 13 A -92 )
PRO( 13 A -91 )
LEU( 13 A -90 )
THR( 13 A -89 )
GLY( 13 A -88 )
HIS( 13 A -87 )
LYS( 13 A -86 )
GLY( 13 A -85 )
ASN( 13 A -84 )
GLU( 13 A -83 )
GLN( 13 A -82 )
PHE( 13 A -81 )
THR( 13 A -80 )
ILE( 13 A -79 )
LYS( 13 A -78 )
GLY( 13 A -77 )
LYS( 13 A -76 )
GLY( 13 A -75 )
ALA( 13 A -74 )
GLN( 13 A -73 )
TYR( 13 A -72 )
ASN( 13 A -71 )
LEU( 13 A -70 )
MET( 13 A -69 )
GLU( 13 A -68 )
VAL( 13 A -67 )
ASP( 13 A -66 )
GLY( 13 A -65 )
GLU( 13 A -64 )
ARG( 13 A -63 )
ILE( 13 A -62 )
ARG( 13 A -61 )
ILE( 13 A -60 )
LYS( 13 A -59 )
GLU( 13 A -58 )
ASP( 13 A -57 )
ASN( 13 A -56 )
SER( 13 A -55 )
PRO( 13 A -54 )
ASP( 13 A -53 )
GLN( 13 A -52 )
VAL( 13 A -51 )
GLY( 13 A -50 )
VAL( 13 A -49 )
LYS( 13 A -48 )
MET( 13 A -47 )
GLY( 13 A -46 )
TRP( 13 A -45 )
LYS( 13 A -44 )
SER( 13 A -43 )
LYS( 13 A -42 )
ALA( 13 A -41 )
GLY( 13 A -40 )
ASP( 13 A -39 )
THR( 13 A -38 )
ILE( 13 A -37 )
VAL( 13 A -36 )
CYS( 13 A -35 )
LEU( 13 A -34 )
PRO( 13 A -33 )
HIS( 13 A -32 )
LYS( 13 A -31 )
VAL( 13 A -30 )
PHE( 13 A -29 )
VAL( 13 A -28 )
GLU( 13 A -27 )
ILE( 13 A -26 )
LYS( 13 A -25 )
SER( 13 A -24 )
THR( 13 A -23 )
GLN( 13 A -22 )
LYS( 13 A -21 )
ASP( 13 A -20 )
SER( 13 A -19 )
LYS( 13 A -18 )
ASP( 13 A -17 )
PRO( 13 A -16 )
ASP( 13 A -15 )
THR( 13 A -14 )
ASP( 13 A -13 )
LEU( 13 A -12 )
ILE( 13 A -11 )
VAL( 13 A -10 )
PRO( 13 A -9 )
ASN( 13 A -8 )
LEU( 13 A -7 )
GLU( 13 A -6 )
HIS( 13 A -5 )
HIS( 13 A -4 )
HIS( 13 A -3 )
HIS( 13 A -2 )
HIS( 13 A -1 )
HIS( 13 A 0 )
MET( 14 A-113 )
LYS( 14 A-112 )
ASN( 14 A-111 )
THR( 14 A-110 )
GLY( 14 A-109 )
ASP( 14 A-108 )
GLU( 14 A-107 )
VAL( 14 A-106 )
VAL( 14 A-105 )
ALA( 14 A-104 )
ILE( 14 A-103 )
ILE( 14 A-102 )
SER( 14 A-101 )
GLN( 14 A-100 )
ASN( 14 A -99 )
GLY( 14 A -98 )
LYS( 14 A -97 )
VAL( 14 A -96 )
ILE( 14 A -95 )
ARG( 14 A -94 )
GLU( 14 A -93 )
ILE( 14 A -92 )
PRO( 14 A -91 )
LEU( 14 A -90 )
THR( 14 A -89 )
GLY( 14 A -88 )
HIS( 14 A -87 )
LYS( 14 A -86 )
GLY( 14 A -85 )
ASN( 14 A -84 )
GLU( 14 A -83 )
GLN( 14 A -82 )
PHE( 14 A -81 )
THR( 14 A -80 )
ILE( 14 A -79 )
LYS( 14 A -78 )
GLY( 14 A -77 )
LYS( 14 A -76 )
GLY( 14 A -75 )
ALA( 14 A -74 )
GLN( 14 A -73 )
TYR( 14 A -72 )
ASN( 14 A -71 )
LEU( 14 A -70 )
MET( 14 A -69 )
GLU( 14 A -68 )
VAL( 14 A -67 )
ASP( 14 A -66 )
GLY( 14 A -65 )
GLU( 14 A -64 )
ARG( 14 A -63 )
ILE( 14 A -62 )
ARG( 14 A -61 )
ILE( 14 A -60 )
LYS( 14 A -59 )
GLU( 14 A -58 )
ASP( 14 A -57 )
ASN( 14 A -56 )
SER( 14 A -55 )
PRO( 14 A -54 )
ASP( 14 A -53 )
GLN( 14 A -52 )
VAL( 14 A -51 )
GLY( 14 A -50 )
VAL( 14 A -49 )
LYS( 14 A -48 )
MET( 14 A -47 )
GLY( 14 A -46 )
TRP( 14 A -45 )
LYS( 14 A -44 )
SER( 14 A -43 )
LYS( 14 A -42 )
ALA( 14 A -41 )
GLY( 14 A -40 )
ASP( 14 A -39 )
THR( 14 A -38 )
ILE( 14 A -37 )
VAL( 14 A -36 )
CYS( 14 A -35 )
LEU( 14 A -34 )
PRO( 14 A -33 )
HIS( 14 A -32 )
LYS( 14 A -31 )
VAL( 14 A -30 )
PHE( 14 A -29 )
VAL( 14 A -28 )
GLU( 14 A -27 )
ILE( 14 A -26 )
LYS( 14 A -25 )
SER( 14 A -24 )
THR( 14 A -23 )
GLN( 14 A -22 )
LYS( 14 A -21 )
ASP( 14 A -20 )
SER( 14 A -19 )
LYS( 14 A -18 )
ASP( 14 A -17 )
PRO( 14 A -16 )
ASP( 14 A -15 )
THR( 14 A -14 )
ASP( 14 A -13 )
LEU( 14 A -12 )
ILE( 14 A -11 )
VAL( 14 A -10 )
PRO( 14 A -9 )
ASN( 14 A -8 )
LEU( 14 A -7 )
GLU( 14 A -6 )
HIS( 14 A -5 )
HIS( 14 A -4 )
HIS( 14 A -3 )
HIS( 14 A -2 )
HIS( 14 A -1 )
HIS( 14 A 0 )
MET( 15 A-113 )
LYS( 15 A-112 )
ASN( 15 A-111 )
THR( 15 A-110 )
GLY( 15 A-109 )
ASP( 15 A-108 )
GLU( 15 A-107 )
VAL( 15 A-106 )
VAL( 15 A-105 )
ALA( 15 A-104 )
ILE( 15 A-103 )
ILE( 15 A-102 )
SER( 15 A-101 )
GLN( 15 A-100 )
ASN( 15 A -99 )
GLY( 15 A -98 )
LYS( 15 A -97 )
VAL( 15 A -96 )
ILE( 15 A -95 )
ARG( 15 A -94 )
GLU( 15 A -93 )
ILE( 15 A -92 )
PRO( 15 A -91 )
LEU( 15 A -90 )
THR( 15 A -89 )
GLY( 15 A -88 )
HIS( 15 A -87 )
LYS( 15 A -86 )
GLY( 15 A -85 )
ASN( 15 A -84 )
GLU( 15 A -83 )
GLN( 15 A -82 )
PHE( 15 A -81 )
THR( 15 A -80 )
ILE( 15 A -79 )
LYS( 15 A -78 )
GLY( 15 A -77 )
LYS( 15 A -76 )
GLY( 15 A -75 )
ALA( 15 A -74 )
GLN( 15 A -73 )
TYR( 15 A -72 )
ASN( 15 A -71 )
LEU( 15 A -70 )
MET( 15 A -69 )
GLU( 15 A -68 )
VAL( 15 A -67 )
ASP( 15 A -66 )
GLY( 15 A -65 )
GLU( 15 A -64 )
ARG( 15 A -63 )
ILE( 15 A -62 )
ARG( 15 A -61 )
ILE( 15 A -60 )
LYS( 15 A -59 )
GLU( 15 A -58 )
ASP( 15 A -57 )
ASN( 15 A -56 )
SER( 15 A -55 )
PRO( 15 A -54 )
ASP( 15 A -53 )
GLN( 15 A -52 )
VAL( 15 A -51 )
GLY( 15 A -50 )
VAL( 15 A -49 )
LYS( 15 A -48 )
MET( 15 A -47 )
GLY( 15 A -46 )
TRP( 15 A -45 )
LYS( 15 A -44 )
SER( 15 A -43 )
LYS( 15 A -42 )
ALA( 15 A -41 )
GLY( 15 A -40 )
ASP( 15 A -39 )
THR( 15 A -38 )
ILE( 15 A -37 )
VAL( 15 A -36 )
CYS( 15 A -35 )
LEU( 15 A -34 )
PRO( 15 A -33 )
HIS( 15 A -32 )
LYS( 15 A -31 )
VAL( 15 A -30 )
PHE( 15 A -29 )
VAL( 15 A -28 )
GLU( 15 A -27 )
ILE( 15 A -26 )
LYS( 15 A -25 )
SER( 15 A -24 )
THR( 15 A -23 )
GLN( 15 A -22 )
LYS( 15 A -21 )
ASP( 15 A -20 )
SER( 15 A -19 )
LYS( 15 A -18 )
ASP( 15 A -17 )
PRO( 15 A -16 )
ASP( 15 A -15 )
THR( 15 A -14 )
ASP( 15 A -13 )
LEU( 15 A -12 )
ILE( 15 A -11 )
VAL( 15 A -10 )
PRO( 15 A -9 )
ASN( 15 A -8 )
LEU( 15 A -7 )
GLU( 15 A -6 )
HIS( 15 A -5 )
HIS( 15 A -4 )
HIS( 15 A -3 )
HIS( 15 A -2 )
HIS( 15 A -1 )
HIS( 15 A 0 )
MET( 16 A-113 )
LYS( 16 A-112 )
ASN( 16 A-111 )
THR( 16 A-110 )
GLY( 16 A-109 )
ASP( 16 A-108 )
GLU( 16 A-107 )
VAL( 16 A-106 )
VAL( 16 A-105 )
ALA( 16 A-104 )
ILE( 16 A-103 )
ILE( 16 A-102 )
SER( 16 A-101 )
GLN( 16 A-100 )
ASN( 16 A -99 )
GLY( 16 A -98 )
LYS( 16 A -97 )
VAL( 16 A -96 )
ILE( 16 A -95 )
ARG( 16 A -94 )
GLU( 16 A -93 )
ILE( 16 A -92 )
PRO( 16 A -91 )
LEU( 16 A -90 )
THR( 16 A -89 )
GLY( 16 A -88 )
HIS( 16 A -87 )
LYS( 16 A -86 )
GLY( 16 A -85 )
ASN( 16 A -84 )
GLU( 16 A -83 )
GLN( 16 A -82 )
PHE( 16 A -81 )
THR( 16 A -80 )
ILE( 16 A -79 )
LYS( 16 A -78 )
GLY( 16 A -77 )
LYS( 16 A -76 )
GLY( 16 A -75 )
ALA( 16 A -74 )
GLN( 16 A -73 )
TYR( 16 A -72 )
ASN( 16 A -71 )
LEU( 16 A -70 )
MET( 16 A -69 )
GLU( 16 A -68 )
VAL( 16 A -67 )
ASP( 16 A -66 )
GLY( 16 A -65 )
GLU( 16 A -64 )
ARG( 16 A -63 )
ILE( 16 A -62 )
ARG( 16 A -61 )
ILE( 16 A -60 )
LYS( 16 A -59 )
GLU( 16 A -58 )
ASP( 16 A -57 )
ASN( 16 A -56 )
SER( 16 A -55 )
PRO( 16 A -54 )
ASP( 16 A -53 )
GLN( 16 A -52 )
VAL( 16 A -51 )
GLY( 16 A -50 )
VAL( 16 A -49 )
LYS( 16 A -48 )
MET( 16 A -47 )
GLY( 16 A -46 )
TRP( 16 A -45 )
LYS( 16 A -44 )
SER( 16 A -43 )
LYS( 16 A -42 )
ALA( 16 A -41 )
GLY( 16 A -40 )
ASP( 16 A -39 )
THR( 16 A -38 )
ILE( 16 A -37 )
VAL( 16 A -36 )
CYS( 16 A -35 )
LEU( 16 A -34 )
PRO( 16 A -33 )
HIS( 16 A -32 )
LYS( 16 A -31 )
VAL( 16 A -30 )
PHE( 16 A -29 )
VAL( 16 A -28 )
GLU( 16 A -27 )
ILE( 16 A -26 )
LYS( 16 A -25 )
SER( 16 A -24 )
THR( 16 A -23 )
GLN( 16 A -22 )
LYS( 16 A -21 )
ASP( 16 A -20 )
SER( 16 A -19 )
LYS( 16 A -18 )
ASP( 16 A -17 )
PRO( 16 A -16 )
ASP( 16 A -15 )
THR( 16 A -14 )
ASP( 16 A -13 )
LEU( 16 A -12 )
ILE( 16 A -11 )
VAL( 16 A -10 )
PRO( 16 A -9 )
ASN( 16 A -8 )
LEU( 16 A -7 )
GLU( 16 A -6 )
HIS( 16 A -5 )
HIS( 16 A -4 )
HIS( 16 A -3 )
HIS( 16 A -2 )
HIS( 16 A -1 )
HIS( 16 A 0 )
MET( 17 A-113 )
LYS( 17 A-112 )
ASN( 17 A-111 )
THR( 17 A-110 )
GLY( 17 A-109 )
ASP( 17 A-108 )
GLU( 17 A-107 )
VAL( 17 A-106 )
VAL( 17 A-105 )
ALA( 17 A-104 )
ILE( 17 A-103 )
ILE( 17 A-102 )
SER( 17 A-101 )
GLN( 17 A-100 )
ASN( 17 A -99 )
GLY( 17 A -98 )
LYS( 17 A -97 )
VAL( 17 A -96 )
ILE( 17 A -95 )
ARG( 17 A -94 )
GLU( 17 A -93 )
ILE( 17 A -92 )
PRO( 17 A -91 )
LEU( 17 A -90 )
THR( 17 A -89 )
GLY( 17 A -88 )
HIS( 17 A -87 )
LYS( 17 A -86 )
GLY( 17 A -85 )
ASN( 17 A -84 )
GLU( 17 A -83 )
GLN( 17 A -82 )
PHE( 17 A -81 )
THR( 17 A -80 )
ILE( 17 A -79 )
LYS( 17 A -78 )
GLY( 17 A -77 )
LYS( 17 A -76 )
GLY( 17 A -75 )
ALA( 17 A -74 )
GLN( 17 A -73 )
TYR( 17 A -72 )
ASN( 17 A -71 )
LEU( 17 A -70 )
MET( 17 A -69 )
GLU( 17 A -68 )
VAL( 17 A -67 )
ASP( 17 A -66 )
GLY( 17 A -65 )
GLU( 17 A -64 )
ARG( 17 A -63 )
ILE( 17 A -62 )
ARG( 17 A -61 )
ILE( 17 A -60 )
LYS( 17 A -59 )
GLU( 17 A -58 )
ASP( 17 A -57 )
ASN( 17 A -56 )
SER( 17 A -55 )
PRO( 17 A -54 )
ASP( 17 A -53 )
GLN( 17 A -52 )
VAL( 17 A -51 )
GLY( 17 A -50 )
VAL( 17 A -49 )
LYS( 17 A -48 )
MET( 17 A -47 )
GLY( 17 A -46 )
TRP( 17 A -45 )
LYS( 17 A -44 )
SER( 17 A -43 )
LYS( 17 A -42 )
ALA( 17 A -41 )
GLY( 17 A -40 )
ASP( 17 A -39 )
THR( 17 A -38 )
ILE( 17 A -37 )
VAL( 17 A -36 )
CYS( 17 A -35 )
LEU( 17 A -34 )
PRO( 17 A -33 )
HIS( 17 A -32 )
LYS( 17 A -31 )
VAL( 17 A -30 )
PHE( 17 A -29 )
VAL( 17 A -28 )
GLU( 17 A -27 )
ILE( 17 A -26 )
LYS( 17 A -25 )
SER( 17 A -24 )
THR( 17 A -23 )
GLN( 17 A -22 )
LYS( 17 A -21 )
ASP( 17 A -20 )
SER( 17 A -19 )
LYS( 17 A -18 )
ASP( 17 A -17 )
PRO( 17 A -16 )
ASP( 17 A -15 )
THR( 17 A -14 )
ASP( 17 A -13 )
LEU( 17 A -12 )
ILE( 17 A -11 )
VAL( 17 A -10 )
PRO( 17 A -9 )
ASN( 17 A -8 )
LEU( 17 A -7 )
GLU( 17 A -6 )
HIS( 17 A -5 )
HIS( 17 A -4 )
HIS( 17 A -3 )
HIS( 17 A -2 )
HIS( 17 A -1 )
HIS( 17 A 0 )
MET( 18 A-113 )
LYS( 18 A-112 )
ASN( 18 A-111 )
THR( 18 A-110 )
GLY( 18 A-109 )
ASP( 18 A-108 )
GLU( 18 A-107 )
VAL( 18 A-106 )
VAL( 18 A-105 )
ALA( 18 A-104 )
ILE( 18 A-103 )
ILE( 18 A-102 )
SER( 18 A-101 )
GLN( 18 A-100 )
ASN( 18 A -99 )
GLY( 18 A -98 )
LYS( 18 A -97 )
VAL( 18 A -96 )
ILE( 18 A -95 )
ARG( 18 A -94 )
GLU( 18 A -93 )
ILE( 18 A -92 )
PRO( 18 A -91 )
LEU( 18 A -90 )
THR( 18 A -89 )
GLY( 18 A -88 )
HIS( 18 A -87 )
LYS( 18 A -86 )
GLY( 18 A -85 )
ASN( 18 A -84 )
GLU( 18 A -83 )
GLN( 18 A -82 )
PHE( 18 A -81 )
THR( 18 A -80 )
ILE( 18 A -79 )
LYS( 18 A -78 )
GLY( 18 A -77 )
LYS( 18 A -76 )
GLY( 18 A -75 )
ALA( 18 A -74 )
GLN( 18 A -73 )
TYR( 18 A -72 )
ASN( 18 A -71 )
LEU( 18 A -70 )
MET( 18 A -69 )
GLU( 18 A -68 )
VAL( 18 A -67 )
ASP( 18 A -66 )
GLY( 18 A -65 )
GLU( 18 A -64 )
ARG( 18 A -63 )
ILE( 18 A -62 )
ARG( 18 A -61 )
ILE( 18 A -60 )
LYS( 18 A -59 )
GLU( 18 A -58 )
ASP( 18 A -57 )
ASN( 18 A -56 )
SER( 18 A -55 )
PRO( 18 A -54 )
ASP( 18 A -53 )
GLN( 18 A -52 )
VAL( 18 A -51 )
GLY( 18 A -50 )
VAL( 18 A -49 )
LYS( 18 A -48 )
MET( 18 A -47 )
GLY( 18 A -46 )
TRP( 18 A -45 )
LYS( 18 A -44 )
SER( 18 A -43 )
LYS( 18 A -42 )
ALA( 18 A -41 )
GLY( 18 A -40 )
ASP( 18 A -39 )
THR( 18 A -38 )
ILE( 18 A -37 )
VAL( 18 A -36 )
CYS( 18 A -35 )
LEU( 18 A -34 )
PRO( 18 A -33 )
HIS( 18 A -32 )
LYS( 18 A -31 )
VAL( 18 A -30 )
PHE( 18 A -29 )
VAL( 18 A -28 )
GLU( 18 A -27 )
ILE( 18 A -26 )
LYS( 18 A -25 )
SER( 18 A -24 )
THR( 18 A -23 )
GLN( 18 A -22 )
LYS( 18 A -21 )
ASP( 18 A -20 )
SER( 18 A -19 )
LYS( 18 A -18 )
ASP( 18 A -17 )
PRO( 18 A -16 )
ASP( 18 A -15 )
THR( 18 A -14 )
ASP( 18 A -13 )
LEU( 18 A -12 )
ILE( 18 A -11 )
VAL( 18 A -10 )
PRO( 18 A -9 )
ASN( 18 A -8 )
LEU( 18 A -7 )
GLU( 18 A -6 )
HIS( 18 A -5 )
HIS( 18 A -4 )
HIS( 18 A -3 )
HIS( 18 A -2 )
HIS( 18 A -1 )
HIS( 18 A 0 )
MET( 19 A-113 )
LYS( 19 A-112 )
ASN( 19 A-111 )
THR( 19 A-110 )
GLY( 19 A-109 )
ASP( 19 A-108 )
GLU( 19 A-107 )
VAL( 19 A-106 )
VAL( 19 A-105 )
ALA( 19 A-104 )
ILE( 19 A-103 )
ILE( 19 A-102 )
SER( 19 A-101 )
GLN( 19 A-100 )
ASN( 19 A -99 )
GLY( 19 A -98 )
LYS( 19 A -97 )
VAL( 19 A -96 )
ILE( 19 A -95 )
ARG( 19 A -94 )
GLU( 19 A -93 )
ILE( 19 A -92 )
PRO( 19 A -91 )
LEU( 19 A -90 )
THR( 19 A -89 )
GLY( 19 A -88 )
HIS( 19 A -87 )
LYS( 19 A -86 )
GLY( 19 A -85 )
ASN( 19 A -84 )
GLU( 19 A -83 )
GLN( 19 A -82 )
PHE( 19 A -81 )
THR( 19 A -80 )
ILE( 19 A -79 )
LYS( 19 A -78 )
GLY( 19 A -77 )
LYS( 19 A -76 )
GLY( 19 A -75 )
ALA( 19 A -74 )
GLN( 19 A -73 )
TYR( 19 A -72 )
ASN( 19 A -71 )
LEU( 19 A -70 )
MET( 19 A -69 )
GLU( 19 A -68 )
VAL( 19 A -67 )
ASP( 19 A -66 )
GLY( 19 A -65 )
GLU( 19 A -64 )
ARG( 19 A -63 )
ILE( 19 A -62 )
ARG( 19 A -61 )
ILE( 19 A -60 )
LYS( 19 A -59 )
GLU( 19 A -58 )
ASP( 19 A -57 )
ASN( 19 A -56 )
SER( 19 A -55 )
PRO( 19 A -54 )
ASP( 19 A -53 )
GLN( 19 A -52 )
VAL( 19 A -51 )
GLY( 19 A -50 )
VAL( 19 A -49 )
LYS( 19 A -48 )
MET( 19 A -47 )
GLY( 19 A -46 )
TRP( 19 A -45 )
LYS( 19 A -44 )
SER( 19 A -43 )
LYS( 19 A -42 )
ALA( 19 A -41 )
GLY( 19 A -40 )
ASP( 19 A -39 )
THR( 19 A -38 )
ILE( 19 A -37 )
VAL( 19 A -36 )
CYS( 19 A -35 )
LEU( 19 A -34 )
PRO( 19 A -33 )
HIS( 19 A -32 )
LYS( 19 A -31 )
VAL( 19 A -30 )
PHE( 19 A -29 )
VAL( 19 A -28 )
GLU( 19 A -27 )
ILE( 19 A -26 )
LYS( 19 A -25 )
SER( 19 A -24 )
THR( 19 A -23 )
GLN( 19 A -22 )
LYS( 19 A -21 )
ASP( 19 A -20 )
SER( 19 A -19 )
LYS( 19 A -18 )
ASP( 19 A -17 )
PRO( 19 A -16 )
ASP( 19 A -15 )
THR( 19 A -14 )
ASP( 19 A -13 )
LEU( 19 A -12 )
ILE( 19 A -11 )
VAL( 19 A -10 )
PRO( 19 A -9 )
ASN( 19 A -8 )
LEU( 19 A -7 )
GLU( 19 A -6 )
HIS( 19 A -5 )
HIS( 19 A -4 )
HIS( 19 A -3 )
HIS( 19 A -2 )
HIS( 19 A -1 )
HIS( 19 A 0 )
MET( 20 A-113 )
LYS( 20 A-112 )
ASN( 20 A-111 )
THR( 20 A-110 )
GLY( 20 A-109 )
ASP( 20 A-108 )
GLU( 20 A-107 )
VAL( 20 A-106 )
VAL( 20 A-105 )
ALA( 20 A-104 )
ILE( 20 A-103 )
ILE( 20 A-102 )
SER( 20 A-101 )
GLN( 20 A-100 )
ASN( 20 A -99 )
GLY( 20 A -98 )
LYS( 20 A -97 )
VAL( 20 A -96 )
ILE( 20 A -95 )
ARG( 20 A -94 )
GLU( 20 A -93 )
ILE( 20 A -92 )
PRO( 20 A -91 )
LEU( 20 A -90 )
THR( 20 A -89 )
GLY( 20 A -88 )
HIS( 20 A -87 )
LYS( 20 A -86 )
GLY( 20 A -85 )
ASN( 20 A -84 )
GLU( 20 A -83 )
GLN( 20 A -82 )
PHE( 20 A -81 )
THR( 20 A -80 )
ILE( 20 A -79 )
LYS( 20 A -78 )
GLY( 20 A -77 )
LYS( 20 A -76 )
GLY( 20 A -75 )
ALA( 20 A -74 )
GLN( 20 A -73 )
TYR( 20 A -72 )
ASN( 20 A -71 )
LEU( 20 A -70 )
MET( 20 A -69 )
GLU( 20 A -68 )
VAL( 20 A -67 )
ASP( 20 A -66 )
GLY( 20 A -65 )
GLU( 20 A -64 )
ARG( 20 A -63 )
ILE( 20 A -62 )
ARG( 20 A -61 )
ILE( 20 A -60 )
LYS( 20 A -59 )
GLU( 20 A -58 )
ASP( 20 A -57 )
ASN( 20 A -56 )
SER( 20 A -55 )
PRO( 20 A -54 )
ASP( 20 A -53 )
GLN( 20 A -52 )
VAL( 20 A -51 )
GLY( 20 A -50 )
VAL( 20 A -49 )
LYS( 20 A -48 )
MET( 20 A -47 )
GLY( 20 A -46 )
TRP( 20 A -45 )
LYS( 20 A -44 )
SER( 20 A -43 )
LYS( 20 A -42 )
ALA( 20 A -41 )
GLY( 20 A -40 )
ASP( 20 A -39 )
THR( 20 A -38 )
ILE( 20 A -37 )
VAL( 20 A -36 )
CYS( 20 A -35 )
LEU( 20 A -34 )
PRO( 20 A -33 )
HIS( 20 A -32 )
LYS( 20 A -31 )
VAL( 20 A -30 )
PHE( 20 A -29 )
VAL( 20 A -28 )
GLU( 20 A -27 )
ILE( 20 A -26 )
LYS( 20 A -25 )
SER( 20 A -24 )
THR( 20 A -23 )
GLN( 20 A -22 )
LYS( 20 A -21 )
ASP( 20 A -20 )
SER( 20 A -19 )
LYS( 20 A -18 )
ASP( 20 A -17 )
PRO( 20 A -16 )
ASP( 20 A -15 )
THR( 20 A -14 )
ASP( 20 A -13 )
LEU( 20 A -12 )
ILE( 20 A -11 )
VAL( 20 A -10 )
PRO( 20 A -9 )
ASN( 20 A -8 )
LEU( 20 A -7 )
GLU( 20 A -6 )
HIS( 20 A -5 )
HIS( 20 A -4 )
HIS( 20 A -3 )
HIS( 20 A -2 )
HIS( 20 A -1 )
HIS( 20 A 0 )
PDB Chain_ID: A
1 15
SEQRES: MET LYS ASN THR GLY ASP GLU VAL VAL ALA ILE ILE SER GLN ASN
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
16 30
SEQRES: GLY LYS VAL ILE ARG GLU ILE PRO LEU THR GLY HIS LYS GLY ASN
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
31 45
SEQRES: GLU GLN PHE THR ILE LYS GLY LYS GLY ALA GLN TYR ASN LEU MET
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
46 60
SEQRES: GLU VAL ASP GLY GLU ARG ILE ARG ILE LYS GLU ASP ASN SER PRO
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
61 75
SEQRES: ASP GLN VAL GLY VAL LYS MET GLY TRP LYS SER LYS ALA GLY ASP
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
76 90
SEQRES: THR ILE VAL CYS LEU PRO HIS LYS VAL PHE VAL GLU ILE LYS SER
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
91 105
SEQRES: THR GLN LYS ASP SER LYS ASP PRO ASP THR ASP LEU ILE VAL PRO
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
106 120
SEQRES: ASN LEU GLU HIS HIS HIS HIS HIS HIS MET LYS ASN THR GLY ASP
COORDS: ... ... ... ... ... ... ... ... ... MET LYS ASN THR GLY ASP
1 6
121 135
SEQRES: GLU VAL VAL ALA ILE ILE SER GLN ASN GLY LYS VAL ILE ARG GLU
COORDS: GLU VAL VAL ALA ILE ILE SER GLN ASN GLY LYS VAL ILE ARG GLU
7 21
136 150
SEQRES: ILE PRO LEU THR GLY HIS LYS GLY ASN GLU GLN PHE THR ILE LYS
COORDS: ILE PRO LEU THR GLY HIS LYS GLY ASN GLU GLN PHE THR ILE LYS
22 36
151 165
SEQRES: GLY LYS GLY ALA GLN TYR ASN LEU MET GLU VAL ASP GLY GLU ARG
COORDS: GLY LYS GLY ALA GLN TYR ASN LEU MET GLU VAL ASP GLY GLU ARG
37 51
166 180
SEQRES: ILE ARG ILE LYS GLU ASP ASN SER PRO ASP GLN VAL GLY VAL LYS
COORDS: ILE ARG ILE LYS GLU ASP ASN SER PRO ASP GLN VAL GLY VAL LYS
52 66
181 195
SEQRES: MET GLY TRP LYS SER LYS ALA GLY ASP THR ILE VAL CYS LEU PRO
COORDS: MET GLY TRP LYS SER LYS ALA GLY ASP THR ILE VAL CYS LEU PRO
67 81
196 210
SEQRES: HIS LYS VAL PHE VAL GLU ILE LYS SER THR GLN LYS ASP SER LYS
COORDS: HIS LYS VAL PHE VAL GLU ILE LYS SER THR GLN LYS ASP SER LYS
82 96
211 225
SEQRES: ASP PRO ASP THR ASP LEU ILE VAL PRO ASN LEU GLU HIS HIS HIS
COORDS: ASP PRO ASP THR ASP LEU ILE VAL PRO ASN LEU GLU HIS HIS HIS
97 111
226 228
SEQRES: HIS HIS HIS
COORDS: HIS HIS HIS
112 114
==> The following residues have missing atoms:
RES MOD#C SEQ ATOMS
ASP( 1 A 6) HD2
GLU( 1 A 7) HE2
GLU( 1 A 21) HE2
HIS( 1 A 27) HD1
GLU( 1 A 31) HE2
GLU( 1 A 46) HE2
ASP( 1 A 48) HD2
GLU( 1 A 50) HE2
GLU( 1 A 56) HE2
ASP( 1 A 57) HD2
ASP( 1 A 61) HD2
ASP( 1 A 75) HD2
HIS( 1 A 82) HE2
GLU( 1 A 87) HE2
ASP( 1 A 94) HD2
ASP( 1 A 97) HD2
ASP( 1 A 99) HD2
ASP( 1 A 101) HD2
GLU( 1 A 108) HE2
HIS( 1 A 109) HE2
HIS( 1 A 110) HE2
HIS( 1 A 111) HD1
HIS( 1 A 112) HE2
HIS( 1 A 113) HE2
HIS( 1 A 114) HE2
ASP( 2 A 6) HD2
GLU( 2 A 7) HE2
GLU( 2 A 21) HE2
HIS( 2 A 27) HD1
GLU( 2 A 31) HE2
GLU( 2 A 46) HE2
ASP( 2 A 48) HD2
GLU( 2 A 50) HE2
GLU( 2 A 56) HE2
ASP( 2 A 57) HD2
ASP( 2 A 61) HD2
ASP( 2 A 75) HD2
HIS( 2 A 82) HE2
GLU( 2 A 87) HE2
ASP( 2 A 94) HD2
ASP( 2 A 97) HD2
ASP( 2 A 99) HD2
ASP( 2 A 101) HD2
GLU( 2 A 108) HE2
HIS( 2 A 109) HE2
HIS( 2 A 110) HE2
HIS( 2 A 111) HE2
HIS( 2 A 112) HE2
HIS( 2 A 113) HE2
HIS( 2 A 114) HE2
ASP( 3 A 6) HD2
GLU( 3 A 7) HE2
GLU( 3 A 21) HE2
HIS( 3 A 27) HD1
GLU( 3 A 31) HE2
GLU( 3 A 46) HE2
ASP( 3 A 48) HD2
GLU( 3 A 50) HE2
GLU( 3 A 56) HE2
ASP( 3 A 57) HD2
ASP( 3 A 61) HD2
ASP( 3 A 75) HD2
HIS( 3 A 82) HD1
GLU( 3 A 87) HE2
ASP( 3 A 94) HD2
ASP( 3 A 97) HD2
ASP( 3 A 99) HD2
ASP( 3 A 101) HD2
GLU( 3 A 108) HE2
HIS( 3 A 109) HD1
HIS( 3 A 110) HE2
HIS( 3 A 111) HD1
HIS( 3 A 112) HD1
HIS( 3 A 113) HD1
HIS( 3 A 114) HD1
ASP( 4 A 6) HD2
GLU( 4 A 7) HE2
GLU( 4 A 21) HE2
HIS( 4 A 27) HD1
GLU( 4 A 31) HE2
GLU( 4 A 46) HE2
ASP( 4 A 48) HD2
GLU( 4 A 50) HE2
GLU( 4 A 56) HE2
ASP( 4 A 57) HD2
ASP( 4 A 61) HD2
ASP( 4 A 75) HD2
HIS( 4 A 82) HD1
GLU( 4 A 87) HE2
ASP( 4 A 94) HD2
ASP( 4 A 97) HD2
ASP( 4 A 99) HD2
ASP( 4 A 101) HD2
GLU( 4 A 108) HE2
HIS( 4 A 109) HE2
HIS( 4 A 110) HD1
HIS( 4 A 111) HE2
HIS( 4 A 112) HD1
HIS( 4 A 113) HE2
HIS( 4 A 114) HE2
ASP( 5 A 6) HD2
GLU( 5 A 7) HE2
GLU( 5 A 21) HE2
HIS( 5 A 27) HD1
GLU( 5 A 31) HE2
GLU( 5 A 46) HE2
ASP( 5 A 48) HD2
GLU( 5 A 50) HE2
GLU( 5 A 56) HE2
ASP( 5 A 57) HD2
ASP( 5 A 61) HD2
ASP( 5 A 75) HD2
HIS( 5 A 82) HD1
GLU( 5 A 87) HE2
ASP( 5 A 94) HD2
ASP( 5 A 97) HD2
ASP( 5 A 99) HD2
ASP( 5 A 101) HD2
GLU( 5 A 108) HE2
HIS( 5 A 109) HE2
HIS( 5 A 110) HD1
HIS( 5 A 111) HE2
HIS( 5 A 112) HE2
HIS( 5 A 113) HD1
HIS( 5 A 114) HD1
ASP( 6 A 6) HD2
GLU( 6 A 7) HE2
GLU( 6 A 21) HE2
HIS( 6 A 27) HD1
GLU( 6 A 31) HE2
GLU( 6 A 46) HE2
ASP( 6 A 48) HD2
GLU( 6 A 50) HE2
GLU( 6 A 56) HE2
ASP( 6 A 57) HD2
ASP( 6 A 61) HD2
ASP( 6 A 75) HD2
HIS( 6 A 82) HD1
GLU( 6 A 87) HE2
ASP( 6 A 94) HD2
ASP( 6 A 97) HD2
ASP( 6 A 99) HD2
ASP( 6 A 101) HD2
GLU( 6 A 108) HE2
HIS( 6 A 109) HD1
HIS( 6 A 110) HD1
HIS( 6 A 111) HD1
HIS( 6 A 112) HE2
HIS( 6 A 113) HD1
HIS( 6 A 114) HD1
ASP( 7 A 6) HD2
GLU( 7 A 7) HE2
GLU( 7 A 21) HE2
HIS( 7 A 27) HD1
GLU( 7 A 31) HE2
GLU( 7 A 46) HE2
ASP( 7 A 48) HD2
GLU( 7 A 50) HE2
GLU( 7 A 56) HE2
ASP( 7 A 57) HD2
ASP( 7 A 61) HD2
ASP( 7 A 75) HD2
HIS( 7 A 82) HE2
GLU( 7 A 87) HE2
ASP( 7 A 94) HD2
ASP( 7 A 97) HD2
ASP( 7 A 99) HD2
ASP( 7 A 101) HD2
GLU( 7 A 108) HE2
HIS( 7 A 109) HD1
HIS( 7 A 110) HE2
HIS( 7 A 111) HD1
HIS( 7 A 112) HE2
HIS( 7 A 113) HD1
HIS( 7 A 114) HE2
ASP( 8 A 6) HD2
GLU( 8 A 7) HE2
GLU( 8 A 21) HE2
HIS( 8 A 27) HD1
GLU( 8 A 31) HE2
GLU( 8 A 46) HE2
ASP( 8 A 48) HD2
GLU( 8 A 50) HE2
GLU( 8 A 56) HE2
ASP( 8 A 57) HD2
ASP( 8 A 61) HD2
ASP( 8 A 75) HD2
HIS( 8 A 82) HD1
GLU( 8 A 87) HE2
ASP( 8 A 94) HD2
ASP( 8 A 97) HD2
ASP( 8 A 99) HD2
ASP( 8 A 101) HD2
GLU( 8 A 108) HE2
HIS( 8 A 109) HE2
HIS( 8 A 110) HE2
HIS( 8 A 111) HE2
HIS( 8 A 112) HD1
HIS( 8 A 113) HD1
HIS( 8 A 114) HE2
ASP( 9 A 6) HD2
GLU( 9 A 7) HE2
GLU( 9 A 21) HE2
HIS( 9 A 27) HD1
GLU( 9 A 31) HE2
GLU( 9 A 46) HE2
ASP( 9 A 48) HD2
GLU( 9 A 50) HE2
GLU( 9 A 56) HE2
ASP( 9 A 57) HD2
ASP( 9 A 61) HD2
ASP( 9 A 75) HD2
HIS( 9 A 82) HE2
GLU( 9 A 87) HE2
ASP( 9 A 94) HD2
ASP( 9 A 97) HD2
ASP( 9 A 99) HD2
ASP( 9 A 101) HD2
GLU( 9 A 108) HE2
HIS( 9 A 109) HE2
HIS( 9 A 110) HD1
HIS( 9 A 111) HE2
HIS( 9 A 112) HD1
HIS( 9 A 113) HE2
HIS( 9 A 114) HD1
ASP( 10 A 6) HD2
GLU( 10 A 7) HE2
GLU( 10 A 21) HE2
HIS( 10 A 27) HD1
GLU( 10 A 31) HE2
GLU( 10 A 46) HE2
ASP( 10 A 48) HD2
GLU( 10 A 50) HE2
GLU( 10 A 56) HE2
ASP( 10 A 57) HD2
ASP( 10 A 61) HD2
ASP( 10 A 75) HD2
HIS( 10 A 82) HD1
GLU( 10 A 87) HE2
ASP( 10 A 94) HD2
ASP( 10 A 97) HD2
ASP( 10 A 99) HD2
ASP( 10 A 101) HD2
GLU( 10 A 108) HE2
HIS( 10 A 109) HE2
HIS( 10 A 110) HD1
HIS( 10 A 111) HE2
HIS( 10 A 112) HD1
HIS( 10 A 113) HE2
HIS( 10 A 114) HE2
ASP( 11 A 6) HD2
GLU( 11 A 7) HE2
GLU( 11 A 21) HE2
HIS( 11 A 27) HE2
GLU( 11 A 31) HE2
GLU( 11 A 46) HE2
ASP( 11 A 48) HD2
GLU( 11 A 50) HE2
GLU( 11 A 56) HE2
ASP( 11 A 57) HD2
ASP( 11 A 61) HD2
ASP( 11 A 75) HD2
HIS( 11 A 82) HE2
GLU( 11 A 87) HE2
ASP( 11 A 94) HD2
ASP( 11 A 97) HD2
ASP( 11 A 99) HD2
ASP( 11 A 101) HD2
GLU( 11 A 108) HE2
HIS( 11 A 109) HD1
HIS( 11 A 110) HE2
HIS( 11 A 111) HD1
HIS( 11 A 112) HE2
HIS( 11 A 113) HE2
HIS( 11 A 114) HE2
ASP( 12 A 6) HD2
GLU( 12 A 7) HE2
GLU( 12 A 21) HE2
HIS( 12 A 27) HD1
GLU( 12 A 31) HE2
GLU( 12 A 46) HE2
ASP( 12 A 48) HD2
GLU( 12 A 50) HE2
GLU( 12 A 56) HE2
ASP( 12 A 57) HD2
ASP( 12 A 61) HD2
ASP( 12 A 75) HD2
HIS( 12 A 82) HD1
GLU( 12 A 87) HE2
ASP( 12 A 94) HD2
ASP( 12 A 97) HD2
ASP( 12 A 99) HD2
ASP( 12 A 101) HD2
GLU( 12 A 108) HE2
HIS( 12 A 109) HE2
HIS( 12 A 110) HE2
HIS( 12 A 111) HD1
HIS( 12 A 112) HE2
HIS( 12 A 113) HE2
HIS( 12 A 114) HD1
ASP( 13 A 6) HD2
GLU( 13 A 7) HE2
GLU( 13 A 21) HE2
HIS( 13 A 27) HD1
GLU( 13 A 31) HE2
GLU( 13 A 46) HE2
ASP( 13 A 48) HD2
GLU( 13 A 50) HE2
GLU( 13 A 56) HE2
ASP( 13 A 57) HD2
ASP( 13 A 61) HD2
ASP( 13 A 75) HD2
HIS( 13 A 82) HD1
GLU( 13 A 87) HE2
ASP( 13 A 94) HD2
ASP( 13 A 97) HD2
ASP( 13 A 99) HD2
ASP( 13 A 101) HD2
GLU( 13 A 108) HE2
HIS( 13 A 109) HE2
HIS( 13 A 110) HD1
HIS( 13 A 111) HE2
HIS( 13 A 112) HE2
HIS( 13 A 113) HD1
HIS( 13 A 114) HE2
ASP( 14 A 6) HD2
GLU( 14 A 7) HE2
GLU( 14 A 21) HE2
HIS( 14 A 27) HD1
GLU( 14 A 31) HE2
GLU( 14 A 46) HE2
ASP( 14 A 48) HD2
GLU( 14 A 50) HE2
GLU( 14 A 56) HE2
ASP( 14 A 57) HD2
ASP( 14 A 61) HD2
ASP( 14 A 75) HD2
HIS( 14 A 82) HD1
GLU( 14 A 87) HE2
ASP( 14 A 94) HD2
ASP( 14 A 97) HD2
ASP( 14 A 99) HD2
ASP( 14 A 101) HD2
GLU( 14 A 108) HE2
HIS( 14 A 109) HD1
HIS( 14 A 110) HE2
HIS( 14 A 111) HD1
HIS( 14 A 112) HE2
HIS( 14 A 113) HE2
HIS( 14 A 114) HD1
ASP( 15 A 6) HD2
GLU( 15 A 7) HE2
GLU( 15 A 21) HE2
HIS( 15 A 27) HD1
GLU( 15 A 31) HE2
GLU( 15 A 46) HE2
ASP( 15 A 48) HD2
GLU( 15 A 50) HE2
GLU( 15 A 56) HE2
ASP( 15 A 57) HD2
ASP( 15 A 61) HD2
ASP( 15 A 75) HD2
HIS( 15 A 82) HE2
GLU( 15 A 87) HE2
ASP( 15 A 94) HD2
ASP( 15 A 97) HD2
ASP( 15 A 99) HD2
ASP( 15 A 101) HD2
GLU( 15 A 108) HE2
HIS( 15 A 109) HE2
HIS( 15 A 110) HE2
HIS( 15 A 111) HD1
HIS( 15 A 112) HD1
HIS( 15 A 113) HE2
HIS( 15 A 114) HD1
ASP( 16 A 6) HD2
GLU( 16 A 7) HE2
GLU( 16 A 21) HE2
HIS( 16 A 27) HD1
GLU( 16 A 31) HE2
GLU( 16 A 46) HE2
ASP( 16 A 48) HD2
GLU( 16 A 50) HE2
GLU( 16 A 56) HE2
ASP( 16 A 57) HD2
ASP( 16 A 61) HD2
ASP( 16 A 75) HD2
HIS( 16 A 82) HD1
GLU( 16 A 87) HE2
ASP( 16 A 94) HD2
ASP( 16 A 97) HD2
ASP( 16 A 99) HD2
ASP( 16 A 101) HD2
GLU( 16 A 108) HE2
HIS( 16 A 109) HD1
HIS( 16 A 110) HE2
HIS( 16 A 111) HD1
HIS( 16 A 112) HD1
HIS( 16 A 113) HE2
HIS( 16 A 114) HE2
ASP( 17 A 6) HD2
GLU( 17 A 7) HE2
GLU( 17 A 21) HE2
HIS( 17 A 27) HD1
GLU( 17 A 31) HE2
GLU( 17 A 46) HE2
ASP( 17 A 48) HD2
GLU( 17 A 50) HE2
GLU( 17 A 56) HE2
ASP( 17 A 57) HD2
ASP( 17 A 61) HD2
ASP( 17 A 75) HD2
HIS( 17 A 82) HD1
GLU( 17 A 87) HE2
ASP( 17 A 94) HD2
ASP( 17 A 97) HD2
ASP( 17 A 99) HD2
ASP( 17 A 101) HD2
GLU( 17 A 108) HE2
HIS( 17 A 109) HD1
HIS( 17 A 110) HD1
HIS( 17 A 111) HE2
HIS( 17 A 112) HD1
HIS( 17 A 113) HE2
HIS( 17 A 114) HE2
ASP( 18 A 6) HD2
GLU( 18 A 7) HE2
GLU( 18 A 21) HE2
HIS( 18 A 27) HD1
GLU( 18 A 31) HE2
GLU( 18 A 46) HE2
ASP( 18 A 48) HD2
GLU( 18 A 50) HE2
GLU( 18 A 56) HE2
ASP( 18 A 57) HD2
ASP( 18 A 61) HD2
ASP( 18 A 75) HD2
HIS( 18 A 82) HD1
GLU( 18 A 87) HE2
ASP( 18 A 94) HD2
ASP( 18 A 97) HD2
ASP( 18 A 99) HD2
ASP( 18 A 101) HD2
GLU( 18 A 108) HE2
HIS( 18 A 109) HE2
HIS( 18 A 110) HE2
HIS( 18 A 111) HD1
HIS( 18 A 112) HD1
HIS( 18 A 113) HE2
HIS( 18 A 114) HE2
ASP( 19 A 6) HD2
GLU( 19 A 7) HE2
GLU( 19 A 21) HE2
HIS( 19 A 27) HD1
GLU( 19 A 31) HE2
GLU( 19 A 46) HE2
ASP( 19 A 48) HD2
GLU( 19 A 50) HE2
GLU( 19 A 56) HE2
ASP( 19 A 57) HD2
ASP( 19 A 61) HD2
ASP( 19 A 75) HD2
HIS( 19 A 82) HE2
GLU( 19 A 87) HE2
ASP( 19 A 94) HD2
ASP( 19 A 97) HD2
ASP( 19 A 99) HD2
ASP( 19 A 101) HD2
GLU( 19 A 108) HE2
HIS( 19 A 109) HE2
HIS( 19 A 110) HE2
HIS( 19 A 111) HD1
HIS( 19 A 112) HD1
HIS( 19 A 113) HD1
HIS( 19 A 114) HD1
ASP( 20 A 6) HD2
GLU( 20 A 7) HE2
GLU( 20 A 21) HE2
HIS( 20 A 27) HD1
GLU( 20 A 31) HE2
GLU( 20 A 46) HE2
ASP( 20 A 48) HD2
GLU( 20 A 50) HE2
GLU( 20 A 56) HE2
ASP( 20 A 57) HD2
ASP( 20 A 61) HD2
ASP( 20 A 75) HD2
HIS( 20 A 82) HE2
GLU( 20 A 87) HE2
ASP( 20 A 94) HD2
ASP( 20 A 97) HD2
ASP( 20 A 99) HD2
ASP( 20 A 101) HD2
GLU( 20 A 108) HE2
HIS( 20 A 109) HD1
HIS( 20 A 110) HD1
HIS( 20 A 111) HD1
HIS( 20 A 112) HD1
HIS( 20 A 113) HD1
HIS( 20 A 114) HE2
==> The following residues have extra atoms:
RES MOD#C SEQ ATOMS
HIS( 1 A 114) O2
HIS( 2 A 114) O2
HIS( 3 A 114) O2
HIS( 4 A 114) O2
HIS( 5 A 114) O2
HIS( 6 A 114) O2
HIS( 7 A 114) O2
HIS( 8 A 114) O2
HIS( 9 A 114) O2
HIS( 10 A 114) O2
HIS( 11 A 114) O2
HIS( 12 A 114) O2
HIS( 13 A 114) O2
HIS( 14 A 114) O2
HIS( 15 A 114) O2
HIS( 16 A 114) O2
HIS( 17 A 114) O2
HIS( 18 A 114) O2
HIS( 19 A 114) O2
HIS( 20 A 114) O2
CHECK TERMINAL ATOMS
--------------------
Terminal atom(s) showed in middle of sequence will be deleted:
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
LKR112_R3_em_bcr3.pdb: Missing KEYWDS records
LKR112_R3_em_bcr3.pdb: Missing TITLE record