Detailed results of OR8C_R3_em_bcr3 by PSVS
Output from PDBStat
Constraints analysis
table of NOE constraints
# -------------- SUMMARY OF RESTRAINTS ---------------
# TOTAL NUMBER OF NOE RESTRAINTS : 2261
# INTRA-RESIDUE RESTRAINTS (I=J) : 615
# SEQUENTIAL RESTRAINTS (I-J)=1 : 620
# BACKBONE-BACKBONE : 134
# BACKBONE-SIDE CHAIN : 81
# SIDE CHAIN-SIDE CHAIN : 405
# MEDIUM RANGE RESTRAINTS 1<(I-J)<5 : 297
# BACKBONE-BACKBONE : 59
# BACKBONE-SIDE CHAIN : 51
# SIDE CHAIN-SIDE CHAIN : 187
# LONG RANGE RESTRAINTS (I-J)>=5 : 729
# TOTAL HYDROGEN BOND RESTRAINTS : 0
# LONG RANGE H-BOND RESTR. (I-J)>=5 : 0
# DISULFIDE RESTRAINTS : 0
# INTRA-CHAIN RESTRAINTS : 2261
# INTER-CHAIN RESTRAINTS : 0
# AMBIGUOUS RESTRAINTS : 0
# -----------------------------------------------------
# -----------------------------------------------------
# -----------------------------------------------------
# RES # INTRA INTER seq med lng InterChain
MET 1 1 0.0 0.0 0.0 0.0 0.0
PRO 2 0 2.0 0.0 0.0 2.0 0.0
ALA 3 0 2.0 1.5 0.0 0.5 0.0
SER 4 0 6.5 2.5 0.0 4.0 0.0
ARG 5 11 13.5 5.0 1.5 7.0 0.0
TYR 6 3 13.5 7.0 1.0 5.5 0.0
ILE 7 9 21.0 6.5 2.0 12.5 0.0
THR 8 2 12.0 5.0 2.5 4.5 0.0
ASP 9 0 9.0 4.5 0.5 4.0 0.0
MET 10 4 21.0 4.0 2.0 15.0 0.0
THR 11 2 7.5 3.5 4.0 0.0 0.0
ILE 12 15 11.5 5.5 6.0 0.0 0.0
GLU 13 6 7.5 6.0 1.5 0.0 0.0
GLU 14 4 10.0 5.0 3.5 1.5 0.0
LEU 15 9 15.5 5.0 4.5 6.0 0.0
SER 16 3 8.0 5.5 2.5 0.0 0.0
ARG 17 12 13.0 7.0 1.5 4.5 0.0
ASP 18 1 7.5 7.0 0.0 0.5 0.0
TRP 19 2 13.5 5.5 2.0 6.0 0.0
PHE 20 2 7.5 6.0 1.5 0.0 0.0
MET 21 6 9.0 3.0 3.0 3.0 0.0
LEU 22 10 12.5 8.0 1.5 3.0 0.0
MET 23 5 21.5 9.5 0.0 12.0 0.0
PRO 24 0 4.0 2.5 1.5 0.0 0.0
LYS 25 10 15.0 4.5 1.5 9.0 0.0
GLN 26 8 10.0 6.5 3.5 0.0 0.0
LYS 27 11 16.0 6.0 2.0 8.0 0.0
VAL 28 4 12.5 4.5 4.5 3.5 0.0
GLU 29 2 14.0 4.0 2.0 8.0 0.0
GLY 30 0 4.0 3.5 0.5 0.0 0.0
PRO 31 0 7.0 1.0 0.0 6.0 0.0
LEU 32 9 15.5 2.0 1.0 12.5 0.0
CYS 33 1 13.5 6.0 0.5 7.0 0.0
ILE 34 9 19.5 5.0 0.0 14.5 0.0
ARG 35 4 8.5 3.0 0.0 5.5 0.0
ILE 36 7 19.5 5.0 3.0 11.5 0.0
ASP 37 0 10.5 4.5 3.0 3.0 0.0
GLN 38 4 19.5 4.5 3.0 12.0 0.0
ALA 39 1 16.0 6.0 0.5 9.5 0.0
ILE 40 10 20.0 6.5 7.5 6.0 0.0
MET 41 7 15.5 7.0 1.5 7.0 0.0
ASP 42 1 9.5 6.0 0.0 3.5 0.0
LYS 43 10 14.0 6.0 6.5 1.5 0.0
ASN 44 7 14.5 7.5 0.0 7.0 0.0
ILE 45 9 27.5 9.0 1.5 17.0 0.0
MET 46 9 18.0 9.5 2.5 6.0 0.0
LEU 47 8 12.5 6.0 0.5 6.0 0.0
LYS 48 4 11.5 3.5 2.5 5.5 0.0
ALA 49 0 15.0 3.0 0.5 11.5 0.0
ASN 50 0 22.0 4.5 0.0 17.5 0.0
PHE 51 2 29.0 5.0 2.0 22.0 0.0
SER 52 0 12.0 4.5 0.0 7.5 0.0
VAL 53 5 26.0 6.0 5.0 15.0 0.0
ILE 54 9 31.0 13.0 3.5 14.5 0.0
PHE 55 3 14.5 12.5 2.0 0.0 0.0
ASP 56 0 7.5 4.5 3.0 0.0 0.0
ARG 57 12 18.5 4.5 5.5 8.5 0.0
LEU 58 5 25.5 5.0 3.5 17.0 0.0
GLU 59 5 15.5 6.0 0.0 9.5 0.0
THR 60 3 8.0 3.5 2.5 2.0 0.0
LEU 61 8 12.0 1.0 5.5 5.5 0.0
ILE 62 11 17.5 3.5 0.5 13.5 0.0
LEU 63 7 21.5 4.5 3.5 13.5 0.0
LEU 64 9 19.0 4.5 2.5 12.0 0.0
ARG 65 2 14.5 4.5 3.5 6.5 0.0
ALA 66 0 9.0 4.0 0.5 4.5 0.0
PHE 67 2 18.0 5.0 2.0 11.0 0.0
THR 68 2 18.5 5.0 4.0 9.5 0.0
GLU 69 5 9.5 4.5 0.5 4.5 0.0
GLU 70 7 7.0 4.0 3.0 0.0 0.0
GLY 71 0 4.5 2.5 2.0 0.0 0.0
ALA 72 1 7.0 1.0 5.0 1.0 0.0
ILE 73 2 16.0 1.5 1.0 13.5 0.0
VAL 74 4 14.0 3.5 1.0 9.5 0.0
GLY 75 0 8.0 2.5 1.0 4.5 0.0
GLU 76 2 15.5 2.5 2.0 11.0 0.0
ILE 77 9 16.0 3.5 0.0 12.5 0.0
SER 78 0 9.0 3.0 2.0 4.0 0.0
PRO 79 0 8.0 2.0 0.0 6.0 0.0
LEU 80 10 12.5 3.0 2.5 7.0 0.0
PRO 81 0 3.0 3.0 0.0 0.0 0.0
SER 82 0 2.5 2.5 0.0 0.0 0.0
PHE 83 2 12.5 5.5 3.5 3.5 0.0
PRO 84 0 7.5 7.5 0.0 0.0 0.0
GLY 85 0 6.0 5.0 1.0 0.0 0.0
HIS 86 0 6.5 1.5 0.0 5.0 0.0
THR 87 2 8.5 2.5 6.0 0.0 0.0
ILE 88 10 23.0 5.5 3.0 14.5 0.0
GLU 89 6 11.0 7.0 4.0 0.0 0.0
ASP 90 1 11.5 5.5 4.5 1.5 0.0
VAL 91 5 16.5 5.0 6.5 5.0 0.0
LYS 92 13 12.5 7.0 4.0 1.5 0.0
ASN 93 8 11.0 7.0 2.0 2.0 0.0
ALA 94 1 19.0 5.5 6.0 7.5 0.0
ILE 95 15 20.5 6.5 8.0 6.0 0.0
GLY 96 0 12.5 5.0 3.5 4.0 0.0
VAL 97 5 17.0 3.5 4.0 9.5 0.0
LEU 98 11 17.0 6.0 4.5 6.5 0.0
ILE 99 12 20.0 6.5 9.0 4.5 0.0
GLY 100 0 5.0 3.5 1.5 0.0 0.0
GLY 101 0 4.0 0.5 1.0 2.5 0.0
LEU 102 10 18.0 1.5 5.5 11.0 0.0
GLU 103 9 10.5 3.0 6.0 1.5 0.0
ARG 104 14 7.5 5.0 2.5 0.0 0.0
ASN 105 3 21.0 6.0 5.5 9.5 0.0
ASP 106 2 8.0 4.0 1.5 2.5 0.0
ASN 107 4 22.5 4.0 5.0 13.5 0.0
THR 108 3 11.5 6.0 0.0 5.5 0.0
VAL 109 5 13.0 6.5 0.5 6.0 0.0
ARG 110 6 9.0 6.5 0.0 2.5 0.0
VAL 111 5 21.5 6.0 2.0 13.5 0.0
SER 112 1 9.0 4.0 1.5 3.5 0.0
LYS 113 19 5.5 5.0 0.0 0.5 0.0
THR 114 2 18.0 6.0 7.5 4.5 0.0
LEU 115 10 20.0 5.0 6.5 8.5 0.0
GLN 116 10 16.0 4.5 5.5 6.0 0.0
ARG 117 12 10.5 8.0 2.5 0.0 0.0
PHE 118 4 26.0 8.0 6.0 12.0 0.0
ALA 119 0 12.5 4.0 2.5 6.0 0.0
TRP 120 8 20.5 3.0 4.0 13.5 0.0
GLY 121 0 2.0 1.0 1.0 0.0 0.0
SER 122 0 1.5 1.5 0.0 0.0 0.0
SER 123 0 3.0 3.0 0.0 0.0 0.0
ASN 124 1 1.5 1.5 0.0 0.0 0.0
GLU 125 0 0.0 0.0 0.0 0.0 0.0
ASN 126 0 0.5 0.5 0.0 0.0 0.0
GLY 127 0 1.5 1.5 0.0 0.0 0.0
ARG 128 8 3.5 3.5 0.0 0.0 0.0
PRO 129 0 5.0 5.0 0.0 0.0 0.0
PRO 130 0 5.0 5.0 0.0 0.0 0.0
LEU 131 8 5.5 5.5 0.0 0.0 0.0
THR 132 2 6.5 6.5 0.0 0.0 0.0
LEU 133 5 6.0 6.0 0.0 0.0 0.0
GLU 134 6 2.5 2.5 0.0 0.0 0.0
# TOTAL 615 1646.0 620.0 297.0 729.0 0.0
# TOTAL NUMBER OF RESTRAINTS (CHECKING): 2261.0
List of conformationally-resticting NOE constraints
assign ((resid 11 and name HN )) ( (resid 15 and name HN )) 4.83 3.03 0.48
assign ((resid 6 and name HD* )) ( (resid 7 and name HN )) 4.35 2.55 0.44
assign ((resid 7 and name HN )) ( (resid 8 and name HN )) 4.52 2.72 0.45
assign ((resid 7 and name HN )) ( (resid 52 and name HA )) 4.08 2.28 0.41
assign ((resid 83 and name HB1 )) ( (resid 85 and name HN )) 4.19 2.39 0.42
assign ((resid 83 and name HB2 )) ( (resid 85 and name HN )) 4.79 2.99 0.48
assign ((resid 73 and name HA )) ( (resid 75 and name HN )) 4.33 2.53 0.43
assign ((resid 17 and name HG1 )) ( (resid 18 and name HN )) 4.07 2.27 0.41
assign ((resid 17 and name HB1 )) ( (resid 18 and name HN )) 4.24 2.44 0.42
assign ((resid 18 and name HN )) ( (resid 19 and name HN )) 4.61 2.81 0.46
assign ((resid 26 and name HB* )) ( (resid 26 and name HE22 )) 4.45 2.65 0.44
assign ((resid 26 and name HB* )) ( (resid 26 and name HE21 )) 4.45 2.65 0.44
assign ((resid 26 and name HE21 )) ( (resid 28 and name HG2* )) 4.23 2.43 0.42
assign ((resid 26 and name HE22 )) ( (resid 28 and name HG2* )) 4.23 2.43 0.42
assign ((resid 44 and name HA )) ( (resid 44 and name HD21 )) 4.71 2.91 0.47
assign ((resid 10 and name HB* )) ( (resid 50 and name HD21 )) 5.38 3.58 0.54
assign ((resid 50 and name HD21 )) ( (resid 62 and name HB )) 5.42 3.62 0.54
assign ((resid 38 and name HA )) ( (resid 105 and name HD22 )) 4.55 2.75 0.46
assign ((resid 38 and name HA )) ( (resid 105 and name HD21 )) 4.55 2.75 0.46
assign ((resid 38 and name HG2 )) ( (resid 105 and name HD22 )) 5.50 3.70 0.55
assign ((resid 41 and name HE* )) ( (resid 105 and name HD22 )) 4.47 2.67 0.45
assign ((resid 38 and name HG2 )) ( (resid 105 and name HD21 )) 5.50 3.70 0.55
assign ((resid 65 and name HB2 )) ( (resid 65 and name HE )) 4.81 3.01 0.48
assign ((resid 14 and name HB* )) ( (resid 65 and name HE )) 4.53 2.73 0.45
assign ((resid 63 and name HG )) ( (resid 65 and name HE )) 5.12 3.32 0.51
assign ((resid 63 and name HD1* )) ( (resid 65 and name HE )) 5.08 3.28 0.51
assign ((resid 65 and name HB1 )) ( (resid 65 and name HE )) 4.81 3.01 0.48
assign ((resid 107 and name HN )) ( (resid 107 and name HD21 )) 4.64 2.84 0.46
assign ((resid 111 and name HB )) ( (resid 116 and name HE22 )) 4.80 3.00 0.48
assign ((resid 116 and name HN )) ( (resid 116 and name HE22 )) 5.50 3.70 0.55
assign ((resid 111 and name HN )) ( (resid 116 and name HE21 )) 4.47 2.67 0.45
assign ((resid 80 and name HN )) ( (resid 80 and name HG )) 4.60 2.80 0.46
assign ((resid 19 and name HB2 )) ( (resid 20 and name HN )) 4.11 2.31 0.41
assign ((resid 19 and name HE3 )) ( (resid 20 and name HN )) 4.52 2.72 0.45
assign ((resid 100 and name HA* )) ( (resid 103 and name HN )) 4.20 2.40 0.42
assign ((resid 111 and name HG2* )) ( (resid 120 and name HE1 )) 3.95 2.15 0.40
assign ((resid 99 and name HD1* )) ( (resid 120 and name HE1 )) 4.08 2.28 0.41
assign ((resid 19 and name HE1 )) ( (resid 65 and name HE )) 5.50 3.70 0.55
assign ((resid 55 and name HB2 )) ( (resid 56 and name HN )) 4.71 2.91 0.47
assign ((resid 55 and name HB1 )) ( (resid 56 and name HN )) 4.71 2.91 0.47
assign ((resid 55 and name HD* )) ( (resid 56 and name HN )) 4.87 3.07 0.49
assign ((resid 67 and name HA )) ( (resid 72 and name HN )) 4.91 3.11 0.49
assign ((resid 68 and name HB )) ( (resid 72 and name HN )) 4.73 2.93 0.47
assign ((resid 70 and name HB2 )) ( (resid 72 and name HN )) 4.52 2.72 0.45
assign ((resid 70 and name HB1 )) ( (resid 72 and name HN )) 4.52 2.72 0.45
assign ((resid 72 and name HN )) ( (resid 74 and name HG1* )) 5.05 3.25 0.51
assign ((resid 68 and name HN )) ( (resid 72 and name HN )) 3.89 2.09 0.39
assign ((resid 54 and name HA )) ( (resid 57 and name HN )) 4.94 3.14 0.49
assign ((resid 55 and name HA )) ( (resid 57 and name HN )) 5.42 3.62 0.54
assign ((resid 47 and name HN )) ( (resid 112 and name HN )) 4.48 2.68 0.45
assign ((resid 112 and name HN )) ( (resid 113 and name HN )) 4.85 3.05 0.48
assign ((resid 111 and name HB )) ( (resid 112 and name HN )) 3.79 1.99 0.38
assign ((resid 111 and name HG1* )) ( (resid 112 and name HN )) 3.76 1.96 0.38
assign ((resid 112 and name HN )) ( (resid 115 and name HD1* )) 3.70 1.90 0.37
assign ((resid 87 and name HA )) ( (resid 89 and name HN )) 4.61 2.81 0.46
assign ((resid 87 and name HB )) ( (resid 89 and name HN )) 3.70 1.90 0.37
assign ((resid 48 and name HA )) ( (resid 112 and name HN )) 5.18 3.38 0.52
assign ((resid 48 and name HN )) ( (resid 65 and name HN )) 4.46 2.66 0.45
assign ((resid 34 and name HG2* )) ( (resid 35 and name HN )) 3.51 1.71 0.35
assign ((resid 50 and name HN )) ( (resid 65 and name HN )) 5.50 3.70 0.55
assign ((resid 10 and name HE* )) ( (resid 65 and name HN )) 3.67 1.87 0.37
assign ((resid 49 and name HB* )) ( (resid 65 and name HN )) 4.02 2.22 0.40
assign ((resid 64 and name HG )) ( (resid 65 and name HN )) 3.86 2.06 0.39
assign ((resid 61 and name HD1* )) ( (resid 65 and name HN )) 5.50 3.70 0.55
assign ((resid 64 and name HD1* )) ( (resid 65 and name HN )) 4.44 2.64 0.44
assign ((resid 64 and name HD2* )) ( (resid 65 and name HN )) 3.80 2.00 0.38
assign ((resid 66 and name HN )) ( (resid 75 and name HN )) 4.16 2.36 0.42
assign ((resid 65 and name HB2 )) ( (resid 66 and name HN )) 4.48 2.68 0.45
assign ((resid 64 and name HD2* )) ( (resid 66 and name HN )) 4.12 2.32 0.41
assign ((resid 65 and name HB1 )) ( (resid 66 and name HN )) 4.48 2.68 0.45
assign ((resid 9 and name HB2 )) ( (resid 10 and name HN )) 4.77 2.97 0.48
assign ((resid 10 and name HN )) ( (resid 50 and name HD22 )) 4.53 2.73 0.45
assign ((resid 9 and name HN )) ( (resid 49 and name HN )) 4.60 2.80 0.46
assign ((resid 9 and name HN )) ( (resid 50 and name HA )) 4.11 2.31 0.41
assign ((resid 9 and name HB1 )) ( (resid 10 and name HN )) 4.77 2.97 0.48
assign ((resid 9 and name HN )) ( (resid 10 and name HB* )) 4.67 2.87 0.47
assign ((resid 8 and name HG2* )) ( (resid 9 and name HN )) 3.95 2.15 0.40
assign ((resid 7 and name HG2* )) ( (resid 9 and name HN )) 4.09 2.29 0.41
assign ((resid 8 and name HG2* )) ( (resid 10 and name HN )) 4.65 2.85 0.47
assign ((resid 10 and name HB* )) ( (resid 11 and name HN )) 3.77 1.97 0.38
assign ((resid 11 and name HN )) ( (resid 14 and name HB* )) 4.36 2.56 0.44
assign ((resid 19 and name HB1 )) ( (resid 20 and name HN )) 4.11 2.31 0.41
assign ((resid 20 and name HD* )) ( (resid 21 and name HN )) 4.62 2.82 0.46
assign ((resid 20 and name HB2 )) ( (resid 21 and name HN )) 4.28 2.48 0.43
assign ((resid 20 and name HB1 )) ( (resid 21 and name HN )) 4.28 2.48 0.43
assign ((resid 25 and name HN )) ( (resid 36 and name HN )) 3.94 2.14 0.39
assign ((resid 25 and name HN )) ( (resid 25 and name HB2 )) 3.86 2.06 0.39
assign ((resid 62 and name HN )) ( (resid 63 and name HN )) 4.00 2.20 0.40
assign ((resid 51 and name HA )) ( (resid 62 and name HN )) 4.34 2.54 0.43
assign ((resid 51 and name HD* )) ( (resid 52 and name HN )) 4.32 2.52 0.43
assign ((resid 52 and name HN )) ( (resid 53 and name HN )) 4.97 3.17 0.50
assign ((resid 52 and name HN )) ( (resid 62 and name HN )) 5.50 3.70 0.55
assign ((resid 6 and name HA )) ( (resid 52 and name HN )) 5.38 3.58 0.54
assign ((resid 52 and name HN )) ( (resid 61 and name HA )) 4.71 2.91 0.47
assign ((resid 54 and name HN )) ( (resid 59 and name HN )) 4.33 2.53 0.43
assign ((resid 53 and name HA )) ( (resid 59 and name HN )) 3.90 2.10 0.39
assign ((resid 58 and name HG )) ( (resid 59 and name HN )) 4.33 2.53 0.43
assign ((resid 58 and name HD2* )) ( (resid 59 and name HN )) 4.26 2.46 0.43
assign ((resid 53 and name HG1* )) ( (resid 59 and name HN )) 5.50 3.70 0.55
assign ((resid 53 and name HG2* )) ( (resid 59 and name HN )) 5.50 3.70 0.55
assign ((resid 58 and name HD1* )) ( (resid 59 and name HN )) 4.71 2.91 0.47
assign ((resid 8 and name HA )) ( (resid 10 and name HN )) 4.46 2.66 0.45
assign ((resid 54 and name HA )) ( (resid 55 and name HN )) 3.17 1.37 0.32
assign ((resid 131 and name HA )) ( (resid 132 and name HN )) 3.01 1.21 0.30
assign ((resid 132 and name HA )) ( (resid 133 and name HN )) 2.99 1.19 0.30
assign ((resid 7 and name HN )) ( (resid 7 and name HB )) 3.59 1.79 0.36
assign ((resid 12 and name HN )) ( (resid 12 and name HB )) 3.23 1.43 0.32
assign ((resid 28 and name HN )) ( (resid 28 and name HB )) 3.28 1.48 0.33
assign ((resid 34 and name HN )) ( (resid 34 and name HB )) 3.60 1.80 0.36
assign ((resid 36 and name HN )) ( (resid 36 and name HB )) 3.44 1.64 0.34
assign ((resid 39 and name HN )) ( (resid 39 and name HB* )) 3.06 1.26 0.31
assign ((resid 40 and name HN )) ( (resid 40 and name HB )) 3.27 1.47 0.33
assign ((resid 45 and name HN )) ( (resid 45 and name HB )) 3.60 1.80 0.36
assign ((resid 53 and name HN )) ( (resid 53 and name HB )) 3.48 1.68 0.35
assign ((resid 60 and name HN )) ( (resid 60 and name HB )) 3.88 2.08 0.39
assign ((resid 72 and name HN )) ( (resid 72 and name HB* )) 3.02 1.22 0.30
assign ((resid 88 and name HN )) ( (resid 88 and name HB )) 3.53 1.73 0.35
assign ((resid 91 and name HN )) ( (resid 91 and name HB )) 3.60 1.80 0.36
assign ((resid 94 and name HN )) ( (resid 94 and name HB* )) 3.16 1.36 0.32
assign ((resid 97 and name HN )) ( (resid 97 and name HB )) 3.40 1.60 0.34
assign ((resid 99 and name HN )) ( (resid 99 and name HB )) 3.38 1.58 0.34
assign ((resid 109 and name HN )) ( (resid 109 and name HB )) 3.73 1.93 0.37
assign ((resid 111 and name HN )) ( (resid 111 and name HB )) 3.88 2.08 0.39
assign ((resid 10 and name HN )) ( (resid 10 and name HB* )) 3.51 1.71 0.35
assign ((resid 13 and name HN )) ( (resid 13 and name HB* )) 3.07 1.27 0.31
assign ((resid 16 and name HN )) ( (resid 16 and name HB2 )) 3.62 1.82 0.36
assign ((resid 17 and name HN )) ( (resid 17 and name HB2 )) 3.67 1.87 0.37
assign ((resid 46 and name HN )) ( (resid 46 and name HB2 )) 3.77 1.97 0.38
assign ((resid 62 and name HB )) ( (resid 63 and name HN )) 3.54 1.74 0.35
assign ((resid 89 and name HN )) ( (resid 89 and name HB2 )) 3.34 1.54 0.33
assign ((resid 92 and name HN )) ( (resid 92 and name HB2 )) 3.71 1.91 0.37
assign ((resid 93 and name HN )) ( (resid 93 and name HB2 )) 3.72 1.92 0.37
assign ((resid 98 and name HN )) ( (resid 98 and name HB2 )) 3.81 2.01 0.38
assign ((resid 102 and name HN )) ( (resid 102 and name HB2 )) 3.60 1.80 0.36
assign ((resid 103 and name HN )) ( (resid 103 and name HB2 )) 3.71 1.91 0.37
assign ((resid 105 and name HN )) ( (resid 105 and name HB1 )) 3.76 1.96 0.38
assign ((resid 106 and name HN )) ( (resid 106 and name HB2 )) 3.77 1.97 0.38
assign ((resid 105 and name HB2 )) ( (resid 107 and name HN )) 4.22 2.42 0.42
assign ((resid 115 and name HN )) ( (resid 115 and name HB2 )) 3.78 1.98 0.38
assign ((resid 116 and name HN )) ( (resid 116 and name HB2 )) 3.52 1.72 0.35
assign ((resid 117 and name HN )) ( (resid 117 and name HB2 )) 3.73 1.93 0.37
assign ((resid 120 and name HN )) ( (resid 120 and name HB2 )) 3.88 2.08 0.39
assign ((resid 133 and name HN )) ( (resid 133 and name HG )) 3.05 1.25 0.31
assign ((resid 5 and name HN )) ( (resid 5 and name HB2 )) 3.48 1.68 0.35
assign ((resid 5 and name HN )) ( (resid 5 and name HB1 )) 3.80 2.00 0.38
assign ((resid 6 and name HN )) ( (resid 6 and name HB* )) 3.39 1.59 0.34
assign ((resid 15 and name HN )) ( (resid 15 and name HB* )) 3.11 1.31 0.31
assign ((resid 16 and name HN )) ( (resid 16 and name HB1 )) 3.62 1.82 0.36
assign ((resid 17 and name HN )) ( (resid 17 and name HB1 )) 3.67 1.87 0.37
assign ((resid 18 and name HN )) ( (resid 18 and name HB* )) 2.96 1.16 0.30
assign ((resid 95 and name HN )) ( (resid 95 and name HB )) 3.26 1.46 0.33
assign ((resid 26 and name HN )) ( (resid 26 and name HB* )) 3.52 1.72 0.35
assign ((resid 29 and name HN )) ( (resid 29 and name HB1 )) 3.77 1.97 0.38
assign ((resid 41 and name HN )) ( (resid 41 and name HB2 )) 3.88 2.08 0.39
assign ((resid 43 and name HN )) ( (resid 43 and name HB1 )) 3.84 2.04 0.38
assign ((resid 44 and name HN )) ( (resid 44 and name HB* )) 3.30 1.50 0.33
assign ((resid 46 and name HN )) ( (resid 46 and name HB1 )) 3.77 1.97 0.38
assign ((resid 69 and name HN )) ( (resid 69 and name HB* )) 3.46 1.66 0.35
assign ((resid 92 and name HN )) ( (resid 92 and name HB1 )) 3.71 1.91 0.37
assign ((resid 103 and name HN )) ( (resid 103 and name HB1 )) 3.71 1.91 0.37
assign ((resid 104 and name HN )) ( (resid 104 and name HB1 )) 3.73 1.93 0.37
assign ((resid 105 and name HN )) ( (resid 105 and name HB2 )) 3.36 1.56 0.34
assign ((resid 106 and name HN )) ( (resid 106 and name HB1 )) 3.88 2.08 0.39
assign ((resid 112 and name HN )) ( (resid 112 and name HB* )) 3.42 1.62 0.34
assign ((resid 116 and name HN )) ( (resid 116 and name HB1 )) 3.52 1.72 0.35
assign ((resid 117 and name HN )) ( (resid 117 and name HB1 )) 3.73 1.93 0.37
assign ((resid 120 and name HN )) ( (resid 120 and name HB1 )) 3.88 2.08 0.39
assign ((resid 122 and name HB2 )) ( (resid 123 and name HN )) 5.35 3.55 0.54
assign ((resid 131 and name HN )) ( (resid 131 and name HB2 )) 3.13 1.33 0.31
assign ((resid 131 and name HN )) ( (resid 131 and name HG )) 3.45 1.65 0.34
assign ((resid 5 and name HN )) ( (resid 6 and name HN )) 4.60 2.80 0.46
assign ((resid 9 and name HN )) ( (resid 10 and name HN )) 3.49 1.69 0.35
assign ((resid 12 and name HN )) ( (resid 13 and name HN )) 3.64 1.84 0.36
assign ((resid 13 and name HN )) ( (resid 14 and name HN )) 3.79 1.99 0.38
assign ((resid 14 and name HN )) ( (resid 15 and name HN )) 3.56 1.76 0.36
assign ((resid 15 and name HN )) ( (resid 16 and name HN )) 3.55 1.75 0.35
assign ((resid 17 and name HN )) ( (resid 18 and name HN )) 4.88 3.08 0.49
assign ((resid 20 and name HN )) ( (resid 21 and name HN )) 4.70 2.90 0.47
assign ((resid 27 and name HN )) ( (resid 28 and name HN )) 4.74 2.94 0.47
assign ((resid 35 and name HN )) ( (resid 36 and name HN )) 4.66 2.86 0.47
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assign ((resid 91 and name HG1* )) ( (resid 95 and name HG1* )) 3.85 2.05 0.38
assign ((resid 92 and name HN )) ( (resid 92 and name HG* )) 3.59 1.79 0.36
assign ((resid 92 and name HN )) ( (resid 92 and name HD* )) 4.45 2.65 0.44
assign ((resid 92 and name HN )) ( (resid 93 and name HB* )) 5.34 3.54 0.53
assign ((resid 92 and name HB* )) ( (resid 92 and name HD* )) 3.11 1.31 0.31
assign ((resid 92 and name HB* )) ( (resid 92 and name HE* )) 3.44 1.64 0.34
assign ((resid 92 and name HB* )) ( (resid 93 and name HD2* )) 5.07 3.27 0.51
assign ((resid 92 and name HG* )) ( (resid 92 and name HE* )) 3.14 1.34 0.31
assign ((resid 92 and name HG* )) ( (resid 93 and name HN )) 4.47 2.67 0.45
assign ((resid 92 and name HG* )) ( (resid 119 and name HB* )) 4.02 2.22 0.40
assign ((resid 93 and name HN )) ( (resid 93 and name HB* )) 3.24 1.44 0.32
assign ((resid 93 and name HN )) ( (resid 93 and name HD2* )) 3.80 2.00 0.38
assign ((resid 93 and name HA )) ( (resid 93 and name HD2* )) 4.32 2.52 0.43
assign ((resid 93 and name HB* )) ( (resid 93 and name HD2* )) 2.98 1.18 0.30
assign ((resid 93 and name HB* )) ( (resid 95 and name HN )) 5.34 3.54 0.53
assign ((resid 94 and name HN )) ( (resid 95 and name HG1* )) 4.33 2.53 0.43
assign ((resid 95 and name HN )) ( (resid 95 and name HG1* )) 3.12 1.32 0.31
assign ((resid 95 and name HA )) ( (resid 95 and name HG1* )) 3.60 1.80 0.36
assign ((resid 95 and name HG2* )) ( (resid 95 and name HG1* )) 3.21 1.41 0.32
assign ((resid 95 and name HG1* )) ( (resid 96 and name HN )) 5.34 3.54 0.53
assign ((resid 99 and name HN )) ( (resid 99 and name HG1* )) 3.64 1.84 0.36
assign ((resid 99 and name HA )) ( (resid 99 and name HG1* )) 3.55 1.75 0.35
assign ((resid 99 and name HG2* )) ( (resid 99 and name HG1* )) 3.06 1.26 0.31
assign ((resid 99 and name HG2* )) ( (resid 103 and name HB* )) 4.20 2.40 0.42
assign ((resid 99 and name HG2* )) ( (resid 103 and name HG* )) 3.56 1.76 0.36
assign ((resid 99 and name HG1* )) ( (resid 100 and name HN )) 5.03 3.23 0.50
assign ((resid 99 and name HG1* )) ( (resid 109 and name HG2* )) 4.61 2.81 0.46
assign ((resid 101 and name HA* )) ( (resid 104 and name HN )) 4.44 2.64 0.44
assign ((resid 102 and name HA )) ( (resid 107 and name HD2* )) 4.24 2.44 0.42
assign ((resid 102 and name HB1 )) ( (resid 107 and name HB* )) 4.88 3.08 0.49
assign ((resid 102 and name HD2* )) ( (resid 107 and name HB* )) 4.05 2.25 0.41
assign ((resid 103 and name HN )) ( (resid 103 and name HB* )) 3.20 1.40 0.32
assign ((resid 103 and name HN )) ( (resid 103 and name HG* )) 3.48 1.68 0.35
assign ((resid 103 and name HN )) ( (resid 104 and name HB* )) 4.81 3.01 0.48
assign ((resid 103 and name HA )) ( (resid 103 and name HG* )) 3.48 1.68 0.35
assign ((resid 103 and name HB* )) ( (resid 104 and name HN )) 3.13 1.33 0.31
assign ((resid 103 and name HG* )) ( (resid 109 and name HG2* )) 4.19 2.39 0.42
assign ((resid 104 and name HN )) ( (resid 104 and name HB* )) 2.97 1.17 0.30
assign ((resid 104 and name HN )) ( (resid 104 and name HG* )) 3.27 1.47 0.33
assign ((resid 104 and name HB* )) ( (resid 106 and name HN )) 5.13 3.33 0.51
assign ((resid 104 and name HG* )) ( (resid 105 and name HN )) 4.44 2.64 0.44
assign ((resid 104 and name HG* )) ( (resid 105 and name HA )) 5.34 3.54 0.53
assign ((resid 105 and name HB2 )) ( (resid 107 and name HD2* )) 3.89 2.09 0.39
assign ((resid 105 and name HB1 )) ( (resid 107 and name HD2* )) 4.26 2.46 0.43
assign ((resid 107 and name HN )) ( (resid 107 and name HB* )) 3.29 1.49 0.33
assign ((resid 107 and name HN )) ( (resid 107 and name HD2* )) 3.98 2.18 0.40
assign ((resid 107 and name HB* )) ( (resid 108 and name HN )) 3.58 1.78 0.36
assign ((resid 110 and name HN )) ( (resid 110 and name HB* )) 3.43 1.63 0.34
assign ((resid 110 and name HB* )) ( (resid 111 and name HN )) 3.64 1.84 0.36
assign ((resid 111 and name HG1* )) ( (resid 120 and name HB* )) 5.34 3.54 0.53
assign ((resid 113 and name HN )) ( (resid 113 and name HB* )) 3.50 1.70 0.35
assign ((resid 113 and name HN )) ( (resid 113 and name HG* )) 3.51 1.71 0.35
assign ((resid 113 and name HA )) ( (resid 113 and name HG* )) 3.50 1.70 0.35
assign ((resid 113 and name HB* )) ( (resid 113 and name HE* )) 3.87 2.07 0.39
assign ((resid 113 and name HB* )) ( (resid 114 and name HN )) 3.74 1.94 0.37
assign ((resid 113 and name HB* )) ( (resid 114 and name HG2* )) 4.34 2.54 0.43
assign ((resid 113 and name HG* )) ( (resid 113 and name HE* )) 2.80 1.00 0.28
assign ((resid 113 and name HG* )) ( (resid 114 and name HN )) 5.08 3.28 0.51
assign ((resid 114 and name HN )) ( (resid 116 and name HB* )) 5.26 3.46 0.53
assign ((resid 114 and name HA )) ( (resid 117 and name HD* )) 4.66 2.86 0.47
assign ((resid 115 and name HD2* )) ( (resid 118 and name HB* )) 4.71 2.91 0.47
assign ((resid 116 and name HN )) ( (resid 116 and name HB* )) 3.08 1.28 0.31
assign ((resid 116 and name HA )) ( (resid 120 and name HB* )) 3.96 2.16 0.40
assign ((resid 116 and name HB* )) ( (resid 116 and name HE21 )) 3.99 2.19 0.40
assign ((resid 116 and name HB* )) ( (resid 116 and name HE22 )) 4.19 2.39 0.42
assign ((resid 117 and name HN )) ( (resid 117 and name HB* )) 3.25 1.45 0.33
assign ((resid 117 and name HN )) ( (resid 117 and name HG* )) 3.82 2.02 0.38
assign ((resid 117 and name HN )) ( (resid 117 and name HD* )) 4.18 2.38 0.42
assign ((resid 117 and name HA )) ( (resid 117 and name HG* )) 3.49 1.69 0.35
assign ((resid 117 and name HA )) ( (resid 117 and name HD* )) 4.15 2.35 0.42
assign ((resid 117 and name HB* )) ( (resid 117 and name HD* )) 3.19 1.39 0.32
assign ((resid 117 and name HB* )) ( (resid 118 and name HN )) 3.91 2.11 0.39
assign ((resid 117 and name HG* )) ( (resid 118 and name HN )) 4.18 2.38 0.42
assign ((resid 117 and name HG* )) ( (resid 118 and name HA )) 4.40 2.60 0.44
assign ((resid 117 and name HD* )) ( (resid 118 and name HN )) 4.45 2.65 0.44
assign ((resid 117 and name HD* )) ( (resid 118 and name HA )) 3.69 1.89 0.37
assign ((resid 118 and name HB* )) ( (resid 119 and name HB* )) 4.80 3.00 0.48
assign ((resid 119 and name HB* )) ( (resid 120 and name HB* )) 5.34 3.54 0.53
assign ((resid 120 and name HB* )) ( (resid 120 and name HD1 )) 3.30 1.50 0.33
assign ((resid 120 and name HB* )) ( (resid 120 and name HE1 )) 4.54 2.74 0.45
assign ((resid 120 and name HB* )) ( (resid 121 and name HN )) 4.32 2.52 0.43
assign ((resid 122 and name HB* )) ( (resid 123 and name HN )) 4.48 2.68 0.45
assign ((resid 124 and name HB* )) ( (resid 124 and name HD2* )) 3.18 1.38 0.32
assign ((resid 128 and name HN )) ( (resid 128 and name HB* )) 3.42 1.62 0.34
assign ((resid 128 and name HA )) ( (resid 129 and name HD* )) 2.74 0.94 0.27
assign ((resid 128 and name HB* )) ( (resid 128 and name HD* )) 2.90 1.10 0.29
assign ((resid 128 and name HB* )) ( (resid 129 and name HD* )) 3.21 1.41 0.32
assign ((resid 128 and name HG* )) ( (resid 129 and name HD* )) 4.23 2.43 0.42
assign ((resid 129 and name HA )) ( (resid 130 and name HD* )) 2.89 1.09 0.29
assign ((resid 129 and name HB* )) ( (resid 130 and name HD* )) 3.58 1.78 0.36
assign ((resid 132 and name HA )) ( (resid 133 and name HD* )) 5.23 3.43 0.52
assign ((resid 133 and name HA )) ( (resid 133 and name HD* )) 3.71 1.91 0.37
assign ((resid 133 and name HB* )) ( (resid 133 and name HD* )) 2.49 0.69 0.25
assign ((resid 133 and name HB* )) ( (resid 134 and name HN )) 3.60 1.80 0.36
assign ((resid 133 and name HD* )) ( (resid 134 and name HN )) 4.06 2.26 0.41
assign ((resid 134 and name HN )) ( (resid 134 and name HB* )) 3.50 1.70 0.35
assign ((resid 134 and name HA )) ( (resid 134 and name HG* )) 3.44 1.64 0.34
list of removed NOE constraints
94-> SER 52 HN - VAL 53 HA 1.80 6.05 # NoRestrctn S [2.00 3.99] -- sequential
105-> ASP 106 HN - ASP 106 HA 1.80 3.13 # NoRestrctn I [2.22 2.95] -- intra
108-> GLY 100 HA* - GLY 101 HN 1.80 3.92 # NoRestrctn S [2.00 3.55] -- sequential
110-> THR 11 HN - THR 11 HB 1.80 4.44 # NoRestrctn I [2.00 4.30] -- intra
118-> ALA 49 HN - ALA 49 HB* 1.80 4.18 # NoRestrctn I [2.66 3.68] -- intra
120-> ILE 54 HN - ILE 54 HB 1.80 4.37 # NoRestrctn I [2.00 4.30] -- intra
122-> ILE 62 HN - ILE 62 HB 1.80 4.48 # NoRestrctn I [2.00 4.30] -- intra
123-> ALA 66 HN - ALA 66 HB* 1.80 3.74 # NoRestrctn I [2.66 3.68] -- intra
132-> ALA 119 HN - ALA 119 HB* 1.80 3.69 # NoRestrctn I [2.66 3.68] -- intra
133-> THR 132 HN - THR 132 HB 1.80 4.31 # NoRestrctn I [2.00 4.30] -- intra
134-> ASP 9 HN - ASP 9 HB2 1.80 4.62 # NoRestrctn I [2.00 4.30] -- intra
139-> LYS 27 HN - LYS 27 HB2 1.80 4.35 # NoRestrctn I [2.00 4.30] -- intra
140-> GLU 29 HN - GLU 29 HB2 1.80 4.31 # NoRestrctn I [2.00 4.30] -- intra
141-> LEU 32 HN - LEU 32 HB2 1.80 4.44 # NoRestrctn I [2.00 4.30] -- intra
142-> CYS 33 HN - CYS 33 HB2 1.80 4.30 # NoRestrctn I [2.00 4.30] -- intra
143-> ARG 35 HN - ARG 35 HB2 1.80 4.62 # NoRestrctn I [2.00 4.30] -- intra
144-> ASP 37 HN - ASP 37 HB2 1.80 4.43 # NoRestrctn I [2.00 4.30] -- intra
145-> MET 41 HN - MET 41 HB1 1.80 4.30 # NoRestrctn I [2.00 4.30] -- intra
146-> ASP 42 HN - ASP 42 HB2 1.80 4.35 # NoRestrctn I [2.00 4.30] -- intra
148-> ARG 57 HN - ARG 57 HB2 1.80 4.40 # NoRestrctn I [2.00 4.30] -- intra
149-> LEU 58 HN - LEU 58 HB2 1.80 4.40 # NoRestrctn I [2.00 4.30] -- intra
151-> LEU 64 HN - LEU 64 HB2 1.80 4.50 # NoRestrctn I [2.00 4.30] -- intra
152-> GLU 70 HN - GLU 70 HB2 1.80 4.39 # NoRestrctn I [2.00 4.30] -- intra
154-> ASP 90 HN - ASP 90 HB2 1.80 4.50 # NoRestrctn I [2.00 4.30] -- intra
163-> ARG 110 HN - ARG 110 HB2 1.80 4.31 # NoRestrctn I [2.00 4.30] -- intra
164-> LYS 113 HN - LYS 113 HB2 1.80 4.46 # NoRestrctn I [2.00 4.30] -- intra
168-> PHE 118 HN - PHE 118 HB2 1.80 4.57 # NoRestrctn I [2.00 4.30] -- intra
170-> ARG 128 HN - ARG 128 HB2 1.80 4.49 # NoRestrctn I [2.00 4.30] -- intra
175-> ASP 9 HN - ASP 9 HB1 1.80 4.62 # NoRestrctn I [2.00 4.30] -- intra
176-> GLU 14 HN - GLU 14 HB* 1.80 4.33 # NoRestrctn I [2.29 3.93] -- intra
184-> LEU 32 HN - LEU 32 HB1 1.80 4.44 # NoRestrctn I [2.00 4.30] -- intra
185-> CYS 33 HN - CYS 33 HB1 1.80 4.30 # NoRestrctn I [2.00 4.30] -- intra
186-> ARG 35 HN - ARG 35 HB1 1.80 4.62 # NoRestrctn I [2.00 4.30] -- intra
187-> ASP 37 HN - ASP 37 HB1 1.80 4.43 # NoRestrctn I [2.00 4.30] -- intra
189-> ASP 42 HN - ASP 42 HB1 1.80 4.35 # NoRestrctn I [2.00 4.30] -- intra
193-> ARG 57 HN - ARG 57 HB1 1.80 4.40 # NoRestrctn I [2.00 4.30] -- intra
194-> LEU 58 HN - LEU 58 HB1 1.80 4.40 # NoRestrctn I [2.00 4.30] -- intra
195-> LEU 64 HN - LEU 64 HB1 1.80 4.50 # NoRestrctn I [2.00 4.30] -- intra
197-> GLU 70 HN - GLU 70 HB1 1.80 4.39 # NoRestrctn I [2.00 4.30] -- intra
198-> ASP 90 HN - ASP 90 HB1 1.80 4.50 # NoRestrctn I [2.00 4.30] -- intra
200-> LEU 102 HN - LEU 102 HB1 1.80 4.36 # NoRestrctn I [2.00 4.30] -- intra
205-> ARG 110 HN - ARG 110 HB1 1.80 4.31 # NoRestrctn I [2.00 4.30] -- intra
207-> LEU 115 HN - LEU 115 HB1 1.80 4.42 # NoRestrctn I [2.00 4.30] -- intra
210-> PHE 118 HN - PHE 118 HB1 1.80 4.57 # NoRestrctn I [2.00 4.30] -- intra
213-> ARG 128 HN - ARG 128 HB1 1.80 4.49 # NoRestrctn I [2.00 4.30] -- intra
370-> GLN 38 HN - GLN 38 HB2 1.80 4.58 # NoRestrctn I [2.00 4.30] -- intra
419-> LYS 27 HN - LYS 27 HB1 1.80 4.35 # NoRestrctn I [2.00 4.30] -- intra
450-> ASN 105 HB2 - ASN 105 HD21 1.80 4.30 # NoRestrctn I [2.10 3.57] -- intra
452-> GLN 38 HG1 - GLN 38 HE22 1.80 4.50 # NoRestrctn I [3.46 4.15] -- intra
453-> GLN 116 HG1 - GLN 116 HE22 1.80 4.23 # NoRestrctn I [3.46 4.15] -- intra
520-> PHE 118 HN - ALA 119 HB* 1.80 6.05 # NoRestrctn S [2.00 6.01] -- sequential
833-> SER 78 HA - PRO 79 HD1 1.80 4.36 # NoRestrctn S [2.00 3.95] -- sequential
834-> LEU 80 HA - PRO 81 HD2 1.80 4.23 # NoRestrctn S [2.00 3.95] -- sequential
835-> LEU 80 HA - PRO 81 HD1 1.80 4.23 # NoRestrctn S [2.00 3.95] -- sequential
837-> MET 23 HA - PRO 24 HD2 1.80 4.21 # NoRestrctn S [2.00 3.95] -- sequential
850-> MET 23 HA - PRO 24 HD1 1.80 4.21 # NoRestrctn S [2.00 3.95] -- sequential
855-> MET 1 HA - MET 1 HG* 1.80 4.19 # NoRestrctn I [2.23 4.01] -- intra
858-> MET 23 HN - MET 23 HB1 1.80 4.43 # NoRestrctn I [2.00 4.30] -- intra
882-> ILE 62 HN - LEU 63 HA 1.80 6.05 # NoRestrctn S [2.00 3.99] -- sequential
884-> SER 78 HA - PRO 79 HD2 1.80 4.36 # NoRestrctn S [2.00 3.95] -- sequential
885-> GLU 69 HA - GLU 69 HB* 1.80 3.32 # FixedDistn I [0.00 0.00] -- intra
886-> LEU 131 HA - LEU 131 HB1 1.80 3.23 # NoRestrctn I [2.22 3.02] -- intra
888-> ILE 7 HA - ILE 7 HG2* 1.80 3.96 # NoRestrctn I [2.63 3.78] -- intra
894-> GLU 29 HA - GLU 29 HG* 1.80 4.03 # NoRestrctn I [2.23 4.01] -- intra
900-> ILE 99 HA - ILE 99 HG2* 1.80 3.79 # NoRestrctn I [2.63 3.78] -- intra
905-> GLU 125 HA - GLU 125 HG* 1.80 4.06 # NoRestrctn I [2.23 4.01] -- intra
915-> GLU 69 HA - GLU 69 HG1 1.80 4.66 # NoRestrctn I [2.06 4.60] -- intra
922-> LEU 22 HA - LEU 22 HG 1.80 4.28 # NoRestrctn I [2.06 4.26] -- intra
924-> LEU 102 HA - LEU 102 HG 1.80 4.37 # NoRestrctn I [2.06 4.26] -- intra
925-> LEU 115 HA - LEU 115 HG 1.80 4.31 # NoRestrctn I [2.06 4.26] -- intra
961-> PHE 20 HN - PHE 20 HB2 1.80 4.44 # NoRestrctn I [2.00 4.30] -- intra
962-> LEU 22 HN - LEU 22 HB2 1.80 4.58 # NoRestrctn I [2.00 4.30] -- intra
967-> GLU 134 HN - GLU 134 HB2 1.80 4.53 # NoRestrctn I [2.00 4.30] -- intra
974-> ILE 40 HB - ILE 40 HD1* 1.80 3.82 # NoRestrctn I [2.63 3.78] -- intra
979-> LEU 131 HA - LEU 131 HG 1.80 4.49 # NoRestrctn I [2.06 4.26] -- intra
982-> MET 41 HA - MET 41 HG1 1.80 4.62 # NoRestrctn I [2.06 4.60] -- intra
983-> GLU 69 HA - GLU 69 HG2 1.80 4.66 # NoRestrctn I [2.06 4.60] -- intra
994-> ARG 128 HA - ARG 128 HG* 1.80 4.03 # NoRestrctn I [2.23 4.01] -- intra
1006-> MET 23 HN - MET 23 HB2 1.80 4.30 # NoRestrctn I [2.00 4.30] -- intra
1027-> PHE 20 HN - PHE 20 HB1 1.80 4.44 # NoRestrctn I [2.00 4.30] -- intra
1028-> LEU 22 HN - LEU 22 HB1 1.80 4.58 # NoRestrctn I [2.00 4.30] -- intra
1029-> LYS 113 HN - LYS 113 HB1 1.80 4.46 # NoRestrctn I [2.00 4.30] -- intra
1030-> GLU 134 HN - GLU 134 HB1 1.80 4.53 # NoRestrctn I [2.00 4.30] -- intra
1037-> LYS 48 HG* - LYS 48 HE2 1.80 4.46 # NoRestrctn I [2.00 4.30] -- intra
1043-> LYS 25 HD* - LYS 25 HE* 1.80 3.05 # NoRestrctn I [2.27 2.51] -- intra
1044-> LYS 113 HD* - LYS 113 HE* 1.80 2.97 # NoRestrctn I [2.27 2.51] -- intra
1097-> ARG 110 HG* - ARG 110 HD* 1.80 2.97 # NoRestrctn I [2.26 2.50] -- intra
1100-> ILE 99 HB - ILE 99 HD1* 1.80 3.88 # NoRestrctn I [2.63 3.78] -- intra
1108-> ILE 73 HB - ILE 73 HD1* 1.80 3.95 # NoRestrctn I [2.63 3.78] -- intra
1109-> ILE 77 HB - ILE 77 HD1* 1.80 3.88 # NoRestrctn I [2.63 3.78] -- intra
1110-> ILE 88 HB - ILE 88 HD1* 1.80 3.83 # NoRestrctn I [2.63 3.78] -- intra
1112-> ILE 34 HG2* - ILE 34 HD1* 1.80 2.64 # TooRestrct I [2.92 5.00] -- intra
1121-> ILE 34 HA - ILE 34 HG2* 1.80 3.94 # NoRestrctn I [2.63 3.78] -- intra
1122-> ILE 36 HA - ILE 36 HG2* 1.80 3.94 # NoRestrctn I [2.63 3.78] -- intra
1123-> ILE 45 HA - ILE 45 HG2* 1.80 4.00 # NoRestrctn I [2.63 3.78] -- intra
1125-> ILE 54 HA - ILE 54 HG2* 1.80 4.02 # NoRestrctn I [2.63 3.78] -- intra
1129-> ILE 77 HA - ILE 77 HG2* 1.80 4.08 # NoRestrctn I [2.63 3.78] -- intra
1131-> ILE 88 HA - ILE 88 HG2* 1.80 4.21 # NoRestrctn I [2.63 3.78] -- intra
1133-> ILE 95 HA - ILE 95 HG2* 1.80 4.52 # NoRestrctn I [2.63 3.78] -- intra
1626-> ASN 105 HN - ASP 106 HA 1.80 5.50 # NoRestrctn S [2.00 3.99] -- sequential
1959-> SER 4 HN - SER 4 HB* 1.80 3.96 # NoRestrctn I [2.29 3.93] -- intra
1971-> ILE 7 HA - ILE 7 HG1* 1.80 4.03 # NoRestrctn I [2.23 4.01] -- intra
1976-> ASP 9 HN - ASP 9 HB* 1.80 4.04 # NoRestrctn I [2.29 3.93] -- intra
2086-> ARG 35 HN - ARG 35 HB* 1.80 3.95 # NoRestrctn I [2.29 3.93] -- intra
2088-> ARG 35 HA - ARG 35 HG* 1.80 4.02 # NoRestrctn I [2.23 4.01] -- intra
2147-> LYS 48 HN - LYS 48 HB* 1.80 4.00 # NoRestrctn I [2.29 3.93] -- intra
2151-> LYS 48 HG* - LYS 48 HE* 1.80 3.85 # NoRestrctn I [2.52 3.73] -- intra
2185-> ARG 57 HB* - ARG 57 HG* 1.80 2.54 # NoRestrctn I [2.26 2.50] -- intra
2201-> GLU 59 HB* - GLU 59 HG* 1.80 2.53 # NoRestrctn I [2.26 2.50] -- intra
2210-> LEU 63 HN - LEU 63 HB* 1.80 4.02 # NoRestrctn I [2.29 3.93] -- intra
2240-> GLU 76 HN - GLU 76 HB* 1.80 3.98 # NoRestrctn I [2.29 3.93] -- intra
2283-> LYS 92 HG* - LYS 92 HD* 1.80 2.52 # NoRestrctn I [2.26 2.50] -- intra
2316-> ARG 104 HB* - ARG 104 HG* 1.80 2.54 # NoRestrctn I [2.26 2.50] -- intra
2334-> LYS 113 HG* - LYS 113 HD* 1.80 2.60 # NoRestrctn I [2.26 2.50] -- intra
2355-> PHE 118 HN - PHE 118 HB* 1.80 3.98 # NoRestrctn I [2.29 3.93] -- intra
2365-> ARG 128 HB* - ARG 128 HG* 1.80 2.66 # NoRestrctn I [2.26 2.50] -- intra
====== TOTAL ======: 116
table of distance constraints violations
Residual Violations greater than 0.10
13-> GLN 26 HE21 - VAL 28 HG2* [ 1.80 4.65] 0.00 2.90 2.64 0.00 0.00 3.23 0.00 0.00 0.00 2.95 3.39 0.00 0.00 3.13 0.00 0.00 0.00 2.61 0.00 0.00 - 7 [ 2.61 .. 3.39]
14-> GLN 26 HE22 - VAL 28 HG2* [ 1.80 4.65] 0.00 2.77 2.33 0.00 0.00 3.14 0.23 0.12 0.00 2.79 3.31 0.00 0.00 2.91 0.15 0.00 0.01 2.59 0.00 0.00 - 11 [ 0.01 .. 3.31]
16-> MET 10 HB* - ASN 50 HD21 [ 1.80 5.92] 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.35 .. 1.73]
21-> MET 41 HE* - ASN 105 HD22 [ 1.80 4.92] 1.64 1.77 1.65 1.42 1.96 0.00 1.11 1.84 1.06 0.81 1.88 1.82 2.13 0.77 0.00 1.70 1.78 0.00 1.87 1.58 - 17 [ 0.77 .. 2.13]
22-> GLN 38 HG2 - ASN 105 HD21 [ 1.80 6.05] 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 0.00 0.23 0.00 0.00 - 1 [ 0.23 .. 0.23]
24-> GLU 14 HB* - ARG 65 HE [ 1.80 4.98] 0.22 1.97 0.01 1.77 0.00 0.40 3.88 0.00 2.00 2.59 0.21 0.55 0.29 0.18 0.19 2.62 1.96 1.86 0.52 3.49 - 18 [ 0.01 .. 3.88]
25-> LEU 63 HG - ARG 65 HE [ 1.80 5.63] 0.00 0.00 0.00 0.00 0.86 1.60 1.28 0.00 0.00 0.00 0.00 0.69 0.52 0.62 0.42 1.18 0.00 0.00 0.00 0.00 - 9 [ 0.00 .. 1.60]
29-> VAL 111 HB - GLN 116 HE22 [ 1.80 5.28] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 3.17 0.00 1.57 0.00 2.20 1.22 0.00 1.04 0.00 0.00 - 6 [ 1.04 .. 3.17]
30-> GLN 116 HN - GLN 116 HE22 [ 1.80 6.05] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 - 3 [ 0.40 .. 0.91]
31-> VAL 111 HN - GLN 116 HE21 [ 1.80 4.92] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 0.00 0.00 2.43 0.00 0.00 0.00 3.40 2.01 0.00 0.00 0.00 0.00 - 4 [ 2.01 .. 3.40]
36-> VAL 111 HG2* - TRP 120 HE1 [ 1.80 4.35] 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 2.63 0.00 1.72 0.70 0.00 0.00 0.00 0.00 0.93 0.00 0.00 - 6 [ 0.70 .. 2.63]
37-> ILE 99 HD1* - TRP 120 HE1 [ 1.80 4.49] 0.56 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.11 .. 1.49]
38-> TRP 19 HE1 - ARG 65 HE [ 1.80 6.05] 0.43 0.00 0.06 0.00 4.48 0.00 0.00 0.21 3.76 0.00 0.33 5.75 0.00 0.00 0.28 0.00 0.00 0.00 5.86 3.19 - 10 [ 0.06 .. 5.86]
46-> ALA 72 HN - VAL 74 HG1* [ 1.80 5.56] 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 0.00 0.00 - 1 [ 1.67 .. 1.67]
54-> SER 112 HN - LEU 115 HD1* [ 1.80 4.07] 0.00 0.00 0.02 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 0.00 0.00 0.00 0.00 - 2 [ 0.02 .. 0.76]
56-> THR 87 HB - GLU 89 HN [ 1.80 4.07] 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 0.60 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.60 .. 0.60]
61-> MET 10 HE* - ARG 65 HN [ 1.80 4.04] 0.00 0.26 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 - 2 [ 0.24 .. 0.26]
62-> ALA 49 HB* - ARG 65 HN [ 1.80 4.42] 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 0.00 - 1 [ 0.35 .. 0.35]
66-> LEU 64 HD2* - ARG 65 HN [ 1.80 4.18] 0.00 0.70 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 0.00 0.00 0.00 0.00 - 1 [ 0.70 .. 0.70]
69-> LEU 64 HD2* - ALA 66 HN [ 1.80 4.53] 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 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 [ 1.78 .. 1.78]
72-> MET 10 HN - ASN 50 HD22 [ 1.80 4.98] 2.66 2.11 0.00 2.01 0.00 1.82 0.00 1.78 2.27 0.00 1.86 2.45 0.00 2.24 0.00 1.70 2.04 0.00 2.45 1.74 - 13 [ 1.70 .. 2.66]
73-> ASP 9 HN - ALA 49 HN [ 1.80 5.06] 0.00 0.00 0.27 0.00 0.05 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 - 4 [ 0.05 .. 0.27]
79-> THR 8 HG2* - MET 10 HN [ 1.80 5.12] 0.00 0.00 0.26 0.00 0.55 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.27 0.00 0.00 - 5 [ 0.19 .. 0.55]
107-> THR 132 HA - LEU 133 HN [ 1.80 3.29] 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 0.00 0.00 0.22 0.00 0.00 0.00 - 1 [ 0.22 .. 0.22]
162-> ASN 105 HB2 - ASN 107 HN [ 1.80 4.64] 0.00 0.15 0.00 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 0.00 0.00 0.00 - 2 [ 0.15 .. 0.40]
171-> LEU 133 HN - LEU 133 HG [ 1.80 3.36] 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 1.11 - 3 [ 0.87 .. 1.11]
172-> ARG 5 HN - ARG 5 HB2 [ 1.80 3.83] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.23 0.00 0.21 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.21 .. 0.23]
215-> LEU 131 HN - LEU 131 HG [ 1.80 3.79] 0.00 0.65 0.64 0.60 0.66 0.61 0.00 0.00 0.00 0.66 0.62 0.61 0.70 0.00 0.64 0.00 0.00 0.54 0.63 0.00 - 12 [ 0.54 .. 0.70]
247-> GLY 85 HN - HIS 86 HN [ 1.80 4.40] 0.00 0.20 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.18 .. 0.22]
322-> LEU 32 HN - LEU 32 HG [ 1.80 4.22] 0.00 0.00 0.00 0.00 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 - 1 [ 0.22 .. 0.22]
333-> GLU 13 HN - GLU 13 HG2 [ 1.80 4.31] 0.24 0.22 0.25 0.00 0.23 0.26 0.25 0.00 0.23 0.23 0.21 0.23 0.21 0.26 0.24 0.00 0.00 0.27 0.23 0.26 - 16 [ 0.21 .. 0.27]
334-> GLU 14 HN - GLU 14 HG2 [ 1.80 4.35] 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 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.35 .. 0.35]
340-> MET 41 HN - MET 41 HG3 [ 1.80 4.57] 0.00 0.21 0.21 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.16 .. 0.21]
348-> ILE 88 HN - ILE 88 HG2* [ 1.80 3.63] 0.00 0.00 0.13 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 0.00 0.00 - 2 [ 0.13 .. 0.14]
349-> GLU 89 HN - GLU 89 HG2 [ 1.80 4.36] 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 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.23 .. 0.23]
359-> THR 114 HN - THR 114 HG2* [ 1.80 3.60] 0.00 0.17 0.17 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 0.16 0.00 0.00 - 4 [ 0.16 .. 0.17]
363-> GLU 134 HN - GLU 134 HG2 [ 1.80 4.42] 0.13 0.00 0.00 0.13 0.13 0.08 0.00 0.27 0.00 0.06 0.00 0.13 0.00 0.00 0.12 0.28 0.00 0.13 0.00 0.12 - 11 [ 0.06 .. 0.28]
364-> ARG 5 HN - VAL 53 HB [ 1.80 4.06] 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.87 .. 1.27]
365-> GLU 13 HN - GLU 13 HG3 [ 1.80 4.31] 0.11 0.07 0.05 0.00 0.03 0.04 0.05 0.00 0.08 0.08 0.08 0.04 0.07 0.03 0.07 0.00 0.00 0.04 0.09 0.06 - 16 [ 0.03 .. 0.11]
373-> ARG 57 HN - ARG 57 HG3 [ 1.80 4.30] 0.17 0.14 0.17 0.03 0.00 0.24 0.00 0.00 0.07 0.00 0.12 0.00 0.21 0.21 0.20 0.00 0.00 0.18 0.18 0.22 - 13 [ 0.03 .. 0.24]
377-> LYS 92 HN - LYS 92 HG3 [ 1.80 4.51] 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 0.00 0.00 - 1 [ 0.11 .. 0.11]
382-> GLU 134 HN - GLU 134 HG3 [ 1.80 4.42] 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.40 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 - 4 [ 0.12 .. 0.40]
384-> ILE 12 HN - ILE 12 HD1* [ 1.80 3.84] 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 0.00 0.00 0.10 0.00 0.00 0.00 0.00 - 2 [ 0.09 .. 0.10]
404-> LYS 25 HD* - LYS 27 HN [ 1.80 6.05] 0.02 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.02 .. 0.55]
406-> LEU 47 HN - LEU 47 HD2* [ 1.80 4.16] 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.04 .. 0.17]
426-> ILE 12 HN - ILE 12 HG12 [ 1.80 4.37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.00 - 2 [ 0.27 .. 0.31]
432-> ILE 12 HN - ILE 12 HG13 [ 1.80 4.37] 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 0.19 0.00 0.00 0.00 0.00 - 2 [ 0.16 .. 0.19]
447-> VAL 109 HN - VAL 109 HG1* [ 1.80 3.64] 0.17 0.21 0.24 0.16 0.23 0.17 0.17 0.24 0.18 0.16 0.24 0.16 0.24 0.16 0.18 0.20 0.16 0.17 0.17 0.21 - 20 [ 0.16 .. 0.24]
455-> SER 4 HN - ILE 54 HD1* [ 1.80 5.38] 0.00 0.27 0.00 0.00 0.89 1.00 0.00 0.00 0.00 0.25 2.07 0.08 2.07 0.23 0.44 0.00 1.91 1.53 0.00 1.41 - 12 [ 0.08 .. 2.07]
457-> ARG 5 HN - VAL 53 HG2* [ 1.80 4.65] 0.17 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 - 3 [ 0.00 .. 0.17]
468-> GLY 96 HN - TRP 120 HZ3 [ 1.80 4.65] 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 5.09 5.80 0.00 0.00 0.00 5.46 0.00 0.00 0.00 - 4 [ 1.21 .. 5.80]
483-> MET 10 HB* - ASN 50 HD22 [ 1.80 5.12] 3.45 1.19 0.00 1.14 0.00 0.55 0.00 1.48 1.29 0.00 1.04 2.47 0.00 2.18 0.00 1.30 0.84 0.00 1.60 1.03 - 13 [ 0.55 .. 3.45]
484-> THR 8 HG2* - ASN 50 HD22 [ 1.80 3.81] 0.36 0.00 0.89 0.00 1.00 0.00 0.25 0.00 0.09 1.22 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.71 0.27 0.00 - 9 [ 0.09 .. 1.22]
485-> THR 8 HG2* - ASN 50 HD21 [ 1.80 3.83] 0.20 0.00 1.46 0.00 1.26 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.07 1.14 0.00 0.00 1.11 0.06 0.00 - 8 [ 0.06 .. 1.70]
491-> THR 114 HN - LEU 115 HG [ 1.80 6.05] 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.46 .. 1.15]
494-> LYS 25 HD* - GLN 38 HE21 [ 1.80 4.53] 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.01 1.51 0.00 - 5 [ 0.01 .. 1.51]
495-> LYS 25 HD* - GLN 38 HE22 [ 1.80 4.60] 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 1.83 0.00 - 4 [ 1.11 .. 1.83]
496-> ILE 36 HG2* - GLN 38 HE21 [ 1.80 4.46] 0.64 0.00 0.90 0.09 0.53 0.11 0.00 0.00 0.00 0.00 0.21 0.11 0.00 0.00 0.26 0.62 1.03 0.49 0.80 0.20 - 13 [ 0.09 .. 1.03]
497-> ILE 36 HG2* - GLN 38 HE22 [ 1.80 5.49] 0.69 0.00 0.98 0.47 0.91 0.49 0.00 0.35 0.00 0.00 0.58 0.51 0.00 0.22 0.63 0.99 0.00 0.84 0.00 0.58 - 13 [ 0.22 .. 0.99]
498-> LYS 25 HB2 - GLN 38 HE21 [ 1.80 4.51] 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 0.66 0.00 1.05 0.00 - 2 [ 0.66 .. 1.05]
499-> LYS 25 HB2 - GLN 38 HE22 [ 1.80 5.16] 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 0.00 0.00 0.41 0.00 0.84 0.00 - 3 [ 0.03 .. 0.84]
502-> ILE 36 HG2* - ASN 105 HD22 [ 1.80 5.01] 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.22 .. 0.38]
503-> ILE 36 HG2* - ASN 105 HD21 [ 1.80 5.01] 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 0.01 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.01 .. 0.24]
508-> ARG 110 HG* - GLN 116 HE21 [ 1.80 5.80] 0.16 0.84 0.49 0.39 0.83 0.09 0.22 3.81 0.00 0.81 3.01 0.59 0.30 0.87 3.89 3.24 1.56 0.67 0.81 0.45 - 19 [ 0.09 .. 3.89]
509-> LEU 58 HD2* - THR 60 HN [ 1.80 4.52] 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.29 .. 0.29]
512-> THR 68 HN - VAL 74 HG1* [ 1.80 4.75] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.14 .. 1.14]
513-> THR 68 HN - VAL 74 HG2* [ 1.80 4.87] 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 0.00 0.00 - 1 [ 0.13 .. 0.13]
516-> LEU 102 HB3 - ASN 107 HN [ 1.80 5.16] 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.32 0.21 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.32 0.00 0.00 - 5 [ 0.21 .. 0.45]
517-> PHE 118 HN - TRP 120 HN [ 1.80 4.44] 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 0.00 0.00 0.20 - 1 [ 0.20 .. 0.20]
522-> ASN 44 HN - ASN 44 HD22 [ 1.80 5.06] 0.84 0.84 0.83 0.88 0.93 0.88 0.89 0.88 0.90 0.85 0.90 0.91 0.96 0.82 0.88 0.90 0.91 0.81 0.92 0.88 - 20 [ 0.81 .. 0.96]
525-> ASP 42 HN - ASP 106 HB3 [ 1.80 4.93] 0.00 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 0.13 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.04 .. 0.13]
530-> VAL 53 HG1* - ASP 56 HN [ 1.80 5.14] 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 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 [ 0.19 .. 0.19]
533-> LEU 131 HD2* - THR 132 HN [ 1.80 4.62] 0.00 0.07 0.07 0.12 0.00 0.07 0.00 0.00 0.00 0.08 0.12 0.11 0.10 0.00 0.07 0.00 0.00 0.00 0.01 0.00 - 10 [ 0.01 .. 0.12]
541-> ARG 110 HG* - VAL 111 HN [ 1.80 4.42] 0.00 0.03 0.00 0.10 0.00 0.22 0.00 0.00 0.00 0.14 0.02 0.00 0.00 0.24 0.16 0.00 0.16 0.00 0.00 0.02 - 10 [ 0.00 .. 0.24]
543-> ILE 54 HG2* - ARG 57 HN [ 1.80 5.20] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.13 0.05 0.00 0.00 - 3 [ 0.05 .. 0.13]
544-> VAL 53 HG1* - ARG 57 HN [ 1.80 4.26] 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 0.00 0.00 - 1 [ 0.66 .. 0.66]
549-> ILE 40 HN - MET 41 HG3 [ 1.80 4.76] 2.36 2.58 2.56 0.00 2.15 2.33 0.00 2.20 2.65 0.00 2.29 2.28 2.32 0.00 2.37 0.00 0.00 2.26 0.00 2.15 - 13 [ 2.15 .. 2.65]
550-> TRP 120 HN - TRP 120 HE3 [ 1.80 4.74] 0.00 0.00 0.25 0.00 0.44 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 - 4 [ 0.07 .. 0.44]
586-> VAL 111 HG1* - GLN 116 HN [ 1.80 4.49] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.23 .. 0.53]
588-> THR 87 HB - ASP 90 HN [ 1.80 4.29] 0.03 0.00 0.00 0.04 0.27 0.00 0.00 0.09 0.04 0.13 0.08 0.01 0.00 1.12 0.28 0.13 0.13 0.00 0.00 0.08 - 13 [ 0.01 .. 1.12]
589-> GLU 89 HG3 - ASP 90 HN [ 1.80 5.27] 0.00 0.00 0.00 0.07 0.20 0.00 0.00 0.09 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.00 - 5 [ 0.07 .. 0.20]
592-> ILE 88 HG2* - ASP 90 HN [ 1.80 4.93] 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 0.00 0.00 0.00 0.00 0.00 0.00 0.29 - 2 [ 0.29 .. 0.37]
596-> LYS 43 HB2 - ASN 44 HN [ 1.80 3.94] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.04 - 4 [ 0.01 .. 0.13]
598-> ASN 44 HN - ILE 45 HG13 [ 1.80 5.06] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.14 .. 1.14]
604-> GLU 14 HN - LEU 15 HD1* [ 1.80 6.05] 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.21 0.00 - 4 [ 0.15 .. 0.21]
607-> MET 23 HG3 - ALA 39 HN [ 1.80 4.81] 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 0.00 0.00 - 1 [ 0.31 .. 0.31]
608-> MET 23 HG2 - ALA 39 HN [ 1.80 4.91] 0.27 0.14 0.12 0.08 0.44 0.14 0.00 0.22 0.24 0.10 0.18 0.11 0.17 0.11 0.17 0.14 0.14 0.00 0.10 0.42 - 18 [ 0.08 .. 0.44]
611-> ARG 5 HB3 - TYR 6 HN [ 1.80 3.83] 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.27 .. 0.27]
619-> THR 8 HA - PHE 51 HN [ 1.80 4.99] 0.00 0.00 0.24 0.00 0.24 0.00 0.00 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.66 0.00 0.00 - 5 [ 0.16 .. 0.66]
624-> LEU 47 HD2* - LYS 48 HN [ 1.80 5.04] 0.00 0.00 0.00 0.00 0.16 0.32 0.18 0.12 0.25 0.02 0.00 0.13 0.21 0.00 0.00 0.06 0.08 0.00 0.14 0.15 - 12 [ 0.02 .. 0.32]
625-> LYS 48 HN - LEU 64 HD2* [ 1.80 5.22] 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.06 .. 1.06]
627-> LYS 48 HN - LEU 115 HD1* [ 1.80 5.94] 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 0.00 - 1 [ 0.69 .. 0.69]
638-> LEU 133 HD1* - GLU 134 HN [ 1.80 5.43] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.20 .. 0.20]
643-> ILE 88 HG2* - GLU 89 HN [ 1.80 3.73] 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 - 2 [ 0.26 .. 0.30]
648-> LEU 32 HD1* - ALA 94 HN [ 1.80 4.51] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 - 2 [ 0.20 .. 0.97]
652-> PRO 130 HB3 - LEU 131 HN [ 1.80 4.43] 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 0.00 0.00 0.00 0.17 0.00 0.00 0.00 - 1 [ 0.17 .. 0.17]
655-> ILE 12 HB - GLU 13 HN [ 1.80 3.79] 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 0.21 0.00 0.00 0.00 0.00 - 2 [ 0.21 .. 0.21]
674-> MET 10 HE* - ALA 49 HN [ 1.80 5.39] 0.00 0.25 0.00 0.00 0.14 1.51 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.00 - 5 [ 0.14 .. 1.51]
682-> THR 132 HB - LEU 133 HN [ 1.80 4.22] 0.00 0.00 0.00 0.03 0.00 0.03 0.02 0.03 0.04 0.02 0.02 0.00 0.14 0.00 0.00 0.04 0.00 0.00 0.00 0.00 - 9 [ 0.02 .. 0.14]
689-> ARG 17 HN - ILE 73 HD1* [ 1.80 5.08] 0.00 0.00 0.00 0.57 0.00 1.36 0.00 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 - 4 [ 0.13 .. 1.36]
696-> LYS 25 HG2 - GLN 26 HN [ 1.80 4.83] 0.00 0.11 0.00 0.35 0.00 0.00 0.14 0.01 0.05 0.00 0.00 0.00 0.13 0.11 0.00 0.00 0.13 0.00 0.00 0.10 - 9 [ 0.01 .. 0.35]
701-> MET 23 HB2 - GLN 38 HN [ 1.80 4.07] 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 0.00 0.00 - 1 [ 0.31 .. 0.31]
712-> LEU 63 HD1* - LEU 64 HN [ 1.80 3.97] 0.00 0.00 0.18 0.00 0.83 0.74 0.96 0.00 0.00 0.00 0.00 0.92 0.75 1.01 0.81 0.86 0.00 0.00 0.00 0.00 - 9 [ 0.18 .. 1.01]
713-> LEU 63 HD2* - LEU 64 HN [ 1.80 4.58] 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 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.21 .. 0.21]
728-> ALA 119 HN - GLY 121 HN [ 1.80 5.05] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.00 .. 0.18]
731-> VAL 111 HG2* - GLN 116 HE22 [ 1.80 5.91] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 1.25 0.00 0.00 0.00 0.00 - 2 [ 1.25 .. 2.36]
736-> ASN 44 HN - ASN 44 HD21 [ 1.80 4.57] 0.23 0.21 0.18 0.28 0.36 0.28 0.30 0.28 0.31 0.22 0.30 0.33 0.39 0.18 0.28 0.31 0.34 0.16 0.34 0.28 - 20 [ 0.16 .. 0.39]
742-> PHE 51 HN - ILE 62 HD1* [ 1.80 4.17] 0.08 0.00 0.00 0.20 0.00 0.18 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 0.06 - 5 [ 0.06 .. 0.20]
747-> ALA 66 HN - ILE 73 HG2* [ 1.80 4.83] 0.00 0.00 0.00 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 - 1 [ 0.69 .. 0.69]
750-> MET 46 HN - LEU 47 HD2* [ 1.80 4.64] 0.00 2.68 0.00 0.00 1.93 1.80 1.83 1.73 2.03 2.01 0.00 2.00 1.88 2.04 2.12 1.95 2.02 1.98 2.00 2.01 - 16 [ 1.73 .. 2.68]
753-> TRP 19 HE1 - ILE 73 HG2* [ 1.80 5.03] 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 0.11 0.00 - 1 [ 0.11 .. 0.11]
756-> ASP 18 HB* - TRP 19 HN [ 1.80 3.62] 0.00 0.00 0.00 0.10 0.29 0.00 0.30 0.00 0.23 0.00 0.00 0.32 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.36 - 7 [ 0.10 .. 0.36]
774-> ASP 42 HN - ASN 105 HB3 [ 1.80 5.13] 0.51 0.93 0.58 0.00 0.92 0.00 0.33 1.03 0.19 0.00 0.98 0.54 1.14 0.00 0.00 0.32 0.22 0.00 0.46 0.75 - 14 [ 0.19 .. 1.14]
779-> SER 52 HN - LEU 58 HG [ 1.80 5.18] 0.00 0.00 0.00 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 0.00 0.00 0.32 - 2 [ 0.32 .. 0.40]
788-> ASP 18 HN - ILE 73 HD1* [ 1.80 5.24] 0.00 0.00 0.00 1.14 0.00 1.91 0.40 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.21 0.00 0.00 0.00 1.32 - 6 [ 0.21 .. 1.91]
791-> ARG 65 HN - PHE 67 HE* [ 1.80 5.74] 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 0.00 0.00 - 1 [ 0.11 .. 0.11]
794-> MET 10 HE* - LEU 64 HN [ 1.80 5.14] 0.00 0.94 1.26 0.00 0.19 0.00 1.11 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 - 5 [ 0.19 .. 1.68]
795-> TRP 19 HE1 - ILE 73 HD1* [ 1.80 5.40] 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.06 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 - 4 [ 0.06 .. 0.99]
804-> LEU 58 HN - ILE 88 HD1* [ 1.80 4.11] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 - 1 [ 0.48 .. 0.48]
806-> MET 10 HN - MET 10 HE* [ 1.80 4.50] 0.00 0.38 0.54 0.00 0.24 1.40 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.25 0.00 0.00 0.00 - 7 [ 0.24 .. 1.40]
807-> MET 10 HB* - LEU 15 HN [ 1.80 4.86] 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 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 [ 0.50 .. 0.50]
813-> LEU 102 HD2* - THR 108 HN [ 1.80 5.83] 0.29 0.66 0.11 0.43 0.21 0.44 0.40 0.55 0.76 0.00 0.26 0.35 0.93 0.04 0.45 0.22 0.00 1.00 0.34 0.24 - 18 [ 0.04 .. 1.00]
814-> THR 108 HN - VAL 109 HG1* [ 1.80 6.05] 0.01 0.19 0.15 0.15 0.26 0.00 0.13 0.14 0.22 0.38 0.16 0.29 0.16 0.40 0.15 0.14 0.37 0.00 0.13 0.22 - 18 [ 0.01 .. 0.40]
825-> GLU 29 HG* - ALA 94 HN [ 1.80 4.97] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 1.08 - 2 [ 1.08 .. 1.40]
831-> LEU 63 HG - LEU 64 HN [ 1.80 3.94] 0.68 0.00 0.00 0.00 0.92 0.88 0.97 0.00 0.00 0.00 0.00 0.94 0.89 1.00 0.92 0.96 0.00 0.00 0.00 0.00 - 9 [ 0.68 .. 1.00]
842-> LEU 102 HD2* - ASN 107 HB2 [ 1.80 5.09] 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.03 .. 0.36]
843-> LEU 102 HD2* - ASN 107 HB3 [ 1.80 5.09] 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.16 .. 0.42]
846-> VAL 53 HG1* - PHE 118 HD* [ 1.80 4.48] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.18 .. 0.18]
852-> ALA 3 HA - ILE 54 HD1* [ 1.80 5.57] 0.00 1.48 0.00 1.12 1.12 1.31 0.92 0.00 0.00 1.46 1.96 1.44 3.13 0.30 1.51 0.86 2.86 2.17 0.00 1.84 - 15 [ 0.30 .. 3.13]
853-> VAL 111 HG1* - LEU 115 HB2 [ 1.80 4.76] 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 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.10 .. 0.10]
859-> MET 21 HE* - PRO 24 HA [ 1.80 4.14] 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.46 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.28 - 5 [ 0.28 .. 0.57]
862-> MET 21 HE* - LYS 25 HN [ 1.80 4.74] 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.47 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.26 - 5 [ 0.26 .. 0.97]
864-> TRP 19 HZ3 - MET 21 HE* [ 1.80 4.68] 0.00 0.02 0.00 0.28 4.34 0.22 0.00 0.00 4.08 0.51 0.00 4.82 0.29 0.28 0.04 0.00 0.00 0.00 3.62 4.61 - 12 [ 0.02 .. 4.82]
865-> MET 10 HE* - LEU 63 HD2* [ 1.80 3.64] 0.44 0.00 0.00 0.00 1.57 0.00 2.37 0.00 0.00 0.00 0.00 1.15 1.04 3.20 0.75 0.63 0.00 0.00 0.00 0.00 - 8 [ 0.44 .. 3.20]
866-> MET 10 HE* - LEU 15 HD1* [ 1.80 3.42] 1.63 0.81 0.00 0.59 0.76 1.05 0.58 0.74 0.57 0.00 0.74 0.74 0.68 2.31 0.00 0.71 0.71 0.75 0.00 0.00 - 15 [ 0.57 .. 2.31]
867-> MET 10 HE* - LEU 63 HG [ 1.80 3.67] 0.51 0.00 2.26 0.00 2.52 0.72 3.75 0.00 0.00 0.00 0.00 2.16 1.50 4.91 1.15 1.30 0.00 0.00 0.00 0.00 - 10 [ 0.51 .. 4.91]
869-> MET 10 HE* - ALA 49 HA [ 1.80 3.74] 0.00 1.33 0.64 0.00 0.71 1.39 1.24 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.82 0.00 0.00 0.00 - 7 [ 0.64 .. 1.39]
870-> MET 10 HE* - ASN 50 HN [ 1.80 4.02] 0.00 1.34 1.22 0.00 1.01 1.18 1.81 0.00 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 1.07 0.00 0.00 0.00 - 7 [ 1.01 .. 2.40]
871-> SER 52 HN - THR 60 HB [ 1.80 5.17] 0.00 0.00 0.00 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 0.52 0.00 0.30 - 3 [ 0.30 .. 0.52]
877-> ARG 117 HN - ARG 117 HD2 [ 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 0.00 0.00 0.20 0.00 0.00 0.00 - 1 [ 0.20 .. 0.20]
879-> ARG 17 HN - ARG 17 HD2 [ 1.80 5.70] 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 0.00 0.00 0.00 0.00 - 1 [ 0.15 .. 0.15]
880-> ARG 17 HN - ARG 17 HD3 [ 1.80 5.70] 0.00 0.27 0.25 0.00 0.00 0.00 0.29 0.00 0.28 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.29 0.00 0.29 0.00 - 7 [ 0.25 .. 0.29]
898-> ILE 40 HA - MET 41 HG3 [ 1.80 4.86] 0.16 1.61 1.60 0.00 0.44 0.30 0.00 0.42 1.57 0.00 0.39 0.28 0.45 0.00 1.58 0.00 0.00 0.44 0.00 0.42 - 13 [ 0.16 .. 1.61]
926-> ILE 12 HA - LEU 15 HD2* [ 1.80 4.68] 0.00 0.10 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.19 - 5 [ 0.06 .. 0.41]
927-> ILE 40 HA - ILE 40 HD1* [ 1.80 3.65] 0.25 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.25 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.22 .. 0.25]
928-> ILE 54 HA - ILE 54 HD1* [ 1.80 3.75] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.46 0.46 0.00 0.00 - 3 [ 0.45 .. 0.46]
940-> LEU 15 HA - LEU 15 HD2* [ 1.80 3.78] 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.12 0.00 - 4 [ 0.10 .. 0.12]
946-> LEU 131 HA - LEU 131 HD2* [ 1.80 3.07] 0.00 0.81 0.81 0.84 0.83 0.81 0.00 0.00 0.00 0.83 0.83 0.84 0.82 0.00 0.82 0.00 0.00 0.85 0.86 0.00 - 12 [ 0.81 .. 0.86]
959-> THR 8 HB - MET 10 HN [ 1.80 5.17] 0.00 0.00 0.00 0.00 0.18 0.37 0.00 0.00 0.00 0.17 0.00 0.00 0.00 0.16 0.00 0.00 0.06 0.01 0.00 0.00 - 6 [ 0.01 .. 0.37]
963-> VAL 111 HB - GLN 116 HN [ 1.80 5.08] 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.10 1.30 0.00 0.00 - 4 [ 0.09 .. 1.30]
972-> ARG 5 HB3 - VAL 53 HB [ 1.80 4.31] 0.00 0.14 2.84 0.00 0.00 0.00 0.00 0.00 2.70 0.00 0.00 0.05 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.05 .. 2.84]
1000-> GLU 69 HN - GLU 69 HG2 [ 1.80 4.39] 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 0.19 0.21 0.00 0.00 0.00 - 4 [ 0.19 .. 0.21]
1015-> LEU 22 HG - MET 23 HG2 [ 1.80 4.42] 3.12 3.00 2.88 3.02 2.93 2.99 4.33 3.11 2.98 2.99 2.99 3.00 3.13 3.04 3.05 2.91 2.95 1.50 2.88 2.96 - 20 [ 1.50 .. 4.33]
1047-> ILE 45 HD1* - LEU 102 HD2* [ 1.80 3.09] 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 0.00 - 1 [ 0.13 .. 0.13]
1064-> LEU 15 HG - LEU 63 HD2* [ 1.80 3.84] 0.63 0.26 0.00 0.35 2.70 2.79 2.44 0.24 0.61 0.00 0.47 2.60 2.76 2.64 1.08 2.63 0.29 0.12 0.00 0.91 - 17 [ 0.12 .. 2.79]
1101-> ALA 39 HB* - ILE 40 HD1* [ 1.80 3.71] 0.40 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.22 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.12 .. 0.44]
1112-> ILE 34 HG2* - ILE 34 HD1* [ 1.80 2.64] 0.47 0.47 0.47 0.48 0.49 0.48 0.00 0.48 0.48 0.48 0.48 0.49 0.48 0.47 0.48 0.47 0.47 0.49 0.48 0.48 - 19 [ 0.47 .. 0.49]
1223-> MET 46 HG3 - LEU 47 HN [ 1.80 5.08] 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 0.00 0.00 0.00 0.00 - 1 [ 0.11 .. 0.11]
1243-> LEU 63 HA - LEU 63 HD1* [ 1.80 3.71] 0.00 0.00 0.00 0.00 0.16 0.17 0.15 0.00 0.00 0.00 0.00 0.17 0.17 0.16 0.14 0.17 0.00 0.00 0.00 0.00 - 8 [ 0.14 .. 0.17]
1250-> LEU 47 HA - LEU 47 HD2* [ 1.80 3.70] 0.00 0.17 0.00 0.00 0.14 0.09 0.13 0.13 0.11 0.01 0.00 0.13 0.13 0.00 0.11 0.13 0.07 0.11 0.13 0.10 - 15 [ 0.01 .. 0.17]
1255-> LEU 80 HA - LEU 80 HD2* [ 1.80 3.60] 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 0.31 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.31 .. 0.31]
1257-> LEU 115 HA - LEU 115 HD2* [ 1.80 3.74] 0.00 0.00 0.04 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 - 2 [ 0.04 .. 0.11]
1260-> ASP 37 HA - ILE 40 HD1* [ 1.80 6.05] 0.00 0.00 0.19 0.00 0.00 0.16 0.44 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 - 3 [ 0.16 .. 0.44]
1261-> ALA 39 HN - ILE 40 HD1* [ 1.80 4.15] 0.97 0.36 0.60 0.88 0.12 0.69 0.88 0.06 0.49 0.80 0.20 0.86 0.13 0.93 0.38 0.38 0.50 0.27 0.38 0.00 - 19 [ 0.06 .. 0.97]
1262-> ARG 5 HB3 - ILE 7 HD1* [ 1.80 4.91] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 1.46 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.42 .. 1.46]
1263-> ARG 5 HD2 - ILE 7 HD1* [ 1.80 5.35] 0.28 0.00 1.20 0.00 1.01 0.00 0.02 0.21 1.94 0.32 0.47 0.00 0.00 0.06 0.00 0.00 0.22 0.15 0.00 0.00 - 11 [ 0.02 .. 1.94]
1264-> TYR 6 HA - ILE 7 HD1* [ 1.80 4.93] 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.00 - 4 [ 0.12 .. 0.18]
1265-> ILE 7 HD1* - THR 114 HB [ 1.80 4.95] 0.00 1.58 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 0.41 0.00 0.00 - 3 [ 0.41 .. 1.58]
1268-> ILE 7 HD1* - THR 8 HN [ 1.80 4.25] 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 - 4 [ 0.87 .. 0.95]
1273-> SER 4 HA - ILE 54 HD1* [ 1.80 4.59] 0.00 0.19 0.00 0.00 0.46 0.02 0.00 0.00 0.00 0.10 1.51 0.00 1.38 0.00 0.56 0.00 0.96 0.96 0.00 0.87 - 10 [ 0.02 .. 1.51]
1274-> ILE 54 HD1* - PHE 55 HD* [ 1.80 5.42] 0.00 0.00 0.18 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 0.15 - 2 [ 0.15 .. 0.18]
1275-> ILE 54 HD1* - PHE 55 HE* [ 1.80 4.52] 0.00 0.00 2.73 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 2.67 - 2 [ 2.67 .. 2.73]
1277-> ILE 95 HD1* - TRP 120 HZ3 [ 1.80 4.55] 0.00 0.00 0.00 0.33 1.26 0.00 0.41 0.00 0.08 0.00 0.00 2.93 3.33 0.61 0.00 0.18 3.06 0.06 0.58 0.07 - 12 [ 0.06 .. 3.33]
1280-> ILE 95 HD1* - TRP 120 HE3 [ 1.80 5.26] 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.90 0.00 0.00 0.00 1.69 0.00 0.00 0.00 - 4 [ 0.36 .. 1.69]
1292-> LEU 58 HD2* - ILE 88 HD1* [ 1.80 3.96] 1.45 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 0.00 0.00 0.11 0.00 0.00 1.01 - 3 [ 0.11 .. 1.45]
1293-> LEU 58 HD1* - ILE 88 HD1* [ 1.80 4.82] 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 - 2 [ 1.08 .. 1.61]
1295-> ILE 88 HD1* - PHE 118 HA [ 1.80 5.38] 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 0.00 0.00 0.00 0.00 0.00 1.08 - 1 [ 1.08 .. 1.08]
1296-> ILE 88 HD1* - ALA 119 HA [ 1.80 3.95] 0.15 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 0.00 0.00 0.00 0.00 1.83 - 3 [ 0.15 .. 1.83]
1298-> ARG 17 HB2 - ILE 73 HD1* [ 1.80 4.70] 0.00 0.00 0.00 0.21 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 0.16 0.00 - 3 [ 0.16 .. 0.59]
1299-> ARG 17 HG2 - ILE 73 HD1* [ 1.80 4.54] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 - 1 [ 0.76 .. 0.76]
1300-> ARG 17 HG3 - ILE 73 HD1* [ 1.80 4.54] 0.00 0.00 0.00 0.65 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.34 1.60 - 5 [ 0.01 .. 1.60]
1303-> ARG 17 HD2 - ILE 73 HD1* [ 1.80 4.85] 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 0.00 0.00 0.00 0.00 0.00 0.77 - 1 [ 0.77 .. 0.77]
1304-> TRP 19 HA - ILE 73 HD1* [ 1.80 5.85] 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 - 3 [ 0.30 .. 0.67]
1305-> TRP 19 HZ2 - ILE 73 HD1* [ 1.80 5.19] 1.06 0.60 0.97 0.00 1.04 1.06 0.00 1.04 1.64 0.39 0.98 2.42 0.81 0.58 0.77 0.00 0.77 0.95 1.16 1.80 - 17 [ 0.39 .. 2.42]
1315-> ILE 88 HG2* - GLU 89 HG2 [ 1.80 4.21] 1.81 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 - 3 [ 1.66 .. 1.95]
1316-> ILE 88 HG2* - GLU 89 HB2 [ 1.80 5.50] 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 0.42 - 2 [ 0.42 .. 0.42]
1317-> ARG 57 HD2 - ILE 88 HG2* [ 1.80 5.71] 0.00 0.00 0.00 0.46 0.00 0.00 0.57 0.00 0.84 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.15 .. 0.84]
1318-> ARG 57 HD3 - ILE 88 HG2* [ 1.80 5.71] 0.00 0.00 0.00 0.33 0.00 0.72 0.49 0.00 0.80 0.00 1.37 0.00 0.00 0.98 0.90 0.00 0.00 0.00 0.00 0.00 - 7 [ 0.33 .. 1.37]
1319-> THR 87 HA - ILE 88 HG2* [ 1.80 4.61] 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.08 .. 1.11]
1320-> THR 87 HB - ILE 88 HG2* [ 1.80 4.10] 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.75 .. 1.06]
1321-> THR 60 HB - ILE 62 HD1* [ 1.80 5.37] 0.00 0.00 0.00 0.00 0.61 1.55 0.00 0.04 0.00 0.00 0.01 0.00 0.00 0.21 0.47 0.00 0.30 1.78 0.00 1.60 - 9 [ 0.01 .. 1.78]
1322-> THR 8 HB - ASN 50 HD21 [ 1.80 5.81] 0.69 0.56 0.51 0.68 0.18 0.76 0.00 0.67 0.68 0.60 0.58 0.61 0.00 0.84 0.18 0.67 0.65 0.26 0.67 0.79 - 18 [ 0.18 .. 0.84]
1323-> THR 8 HB - ASN 50 HD22 [ 1.80 4.76] 1.21 1.09 0.27 1.18 0.21 1.14 0.00 1.05 1.20 0.46 1.01 1.14 0.00 1.15 0.11 1.05 1.05 0.14 1.27 1.14 - 18 [ 0.11 .. 1.27]
1326-> THR 132 HB - LEU 133 HG [ 1.80 4.84] 2.66 0.02 0.00 1.04 1.31 0.55 1.09 1.15 1.19 1.35 0.89 0.91 0.68 0.02 0.00 1.09 0.00 1.45 0.26 1.45 - 17 [ 0.02 .. 2.66]
1333-> ILE 12 HG2* - SER 16 HB3 [ 1.80 4.59] 0.41 0.00 0.00 0.00 0.98 0.00 0.00 1.15 0.00 0.00 0.00 0.45 0.00 0.00 0.13 1.54 0.00 0.00 0.00 0.00 - 6 [ 0.13 .. 1.54]
1338-> ILE 40 HG2* - ILE 45 HD1* [ 1.80 3.64] 0.18 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 [ 0.18 .. 0.18]
1339-> ILE 40 HG2* - VAL 74 HG2* [ 1.80 4.05] 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 0.00 0.00 - 1 [ 0.12 .. 0.12]
1340-> ILE 40 HG2* - ILE 45 HG13 [ 1.80 4.38] 0.82 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.16 .. 0.82]
1342-> LYS 25 HB3 - ILE 36 HG2* [ 1.80 3.89] 0.00 0.00 0.00 0.00 0.48 0.00 0.26 0.00 0.46 0.00 0.00 0.03 0.00 0.00 0.00 0.17 0.00 0.00 0.00 0.32 - 6 [ 0.03 .. 0.48]
1343-> ILE 54 HG2* - GLU 59 HA [ 1.80 4.31] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.28 0.02 0.00 0.00 - 3 [ 0.02 .. 0.28]
1345-> ILE 54 HG2* - PHE 55 HB2 [ 1.80 5.19] 0.00 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 0.13 0.25 0.00 0.00 - 3 [ 0.13 .. 0.25]
1346-> ILE 54 HG2* - PHE 55 HB3 [ 1.80 5.19] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 1.28 1.38 0.00 0.00 - 3 [ 1.28 .. 1.38]
1349-> ILE 54 HG2* - PHE 55 HE* [ 1.80 4.46] 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.00 2.19 - 4 [ 0.01 .. 2.26]
1353-> MET 10 HE* - ILE 62 HG2* [ 1.80 5.41] 0.54 1.15 1.30 0.00 0.50 0.00 1.68 0.00 0.00 0.00 0.00 0.70 0.00 2.97 0.00 0.00 0.49 0.00 0.00 0.00 - 8 [ 0.49 .. 2.97]
1359-> ILE 95 HG2* - TRP 120 HZ3 [ 1.80 4.82] 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 0.00 0.00 1.75 0.00 0.00 0.00 - 4 [ 0.82 .. 2.31]
1361-> ILE 12 HG2* - SER 16 HA [ 1.80 5.84] 0.83 0.02 0.46 0.00 0.38 0.00 0.00 1.60 0.00 0.00 0.48 0.00 0.00 0.00 0.41 1.10 0.10 0.00 0.26 0.00 - 10 [ 0.02 .. 1.60]
1363-> ILE 12 HG2* - SER 16 HB2 [ 1.80 4.59] 1.58 0.59 0.85 0.19 0.00 0.20 0.00 2.17 0.24 0.30 0.98 0.00 0.38 0.11 0.96 0.09 0.59 0.32 0.78 0.00 - 16 [ 0.09 .. 2.17]
1364-> MET 21 HE* - GLU 76 HN [ 1.80 6.05] 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.08 0.16 0.00 0.49 0.00 0.00 0.00 0.12 0.01 0.00 0.00 - 6 [ 0.01 .. 0.49]
1366-> ILE 7 HG2* - THR 114 HB [ 1.80 4.04] 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 0.00 0.00 0.00 0.00 - 1 [ 0.12 .. 0.12]
1368-> ILE 7 HG2* - PHE 118 HD* [ 1.80 4.94] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.01 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.01 .. 0.40]
1371-> ILE 7 HG2* - PHE 118 HE* [ 1.80 4.98] 0.00 0.00 0.00 0.00 0.02 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 - 2 [ 0.02 .. 0.36]
1380-> THR 68 HB - VAL 74 HG2* [ 1.80 5.89] 0.00 0.13 0.49 0.09 0.00 0.38 0.00 0.00 0.08 0.27 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 - 7 [ 0.08 .. 0.51]
1389-> ILE 88 HG13 - ALA 119 HB* [ 1.80 4.65] 1.13 0.00 2.56 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 - 4 [ 1.13 .. 2.75]
1390-> ILE 88 HD1* - ALA 119 HB* [ 1.80 4.74] 0.43 0.00 1.38 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 0.00 0.00 1.78 - 3 [ 0.43 .. 1.78]
1391-> ILE 88 HG12 - ALA 119 HB* [ 1.80 4.65] 1.79 0.00 1.19 0.00 0.00 0.00 0.00 0.11 0.00 2.24 0.00 0.60 0.00 0.00 0.00 0.00 0.25 0.00 0.00 3.19 - 7 [ 0.11 .. 3.19]
1393-> ALA 119 HB* - TRP 120 HE3 [ 1.80 4.77] 0.00 0.00 0.13 0.00 0.72 0.11 0.00 0.00 0.00 0.00 0.00 1.26 1.72 0.00 0.00 0.00 1.36 0.00 0.00 0.28 - 7 [ 0.11 .. 1.72]
1394-> LEU 47 HG - VAL 111 HG2* [ 1.80 4.32] 0.00 0.00 0.00 0.00 0.31 0.13 0.20 2.47 0.31 0.00 1.15 0.15 0.00 0.00 0.68 0.09 0.24 0.21 0.11 0.27 - 13 [ 0.09 .. 2.47]
1395-> VAL 111 HG2* - GLN 116 HG2 [ 1.80 4.21] 0.00 0.40 0.00 0.00 0.14 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.02 0.09 0.00 0.00 0.00 - 6 [ 0.09 .. 2.62]
1397-> ARG 110 HA - VAL 111 HG2* [ 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 0.00 0.66 0.00 0.00 0.00 0.00 0.57 0.00 0.00 - 2 [ 0.57 .. 0.66]
1398-> VAL 111 HG2* - GLN 116 HE21 [ 1.80 5.41] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 1.28 0.00 0.00 0.00 0.00 - 2 [ 1.28 .. 2.73]
1399-> VAL 111 HG2* - TRP 120 HD1 [ 1.80 4.61] 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.72 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 - 4 [ 0.52 .. 2.12]
1400-> VAL 111 HG2* - TRP 120 HH2 [ 1.80 4.68] 0.30 0.83 1.00 0.72 1.14 0.00 1.44 2.46 0.46 1.72 2.33 2.81 2.52 2.04 0.47 0.97 0.00 2.20 1.02 0.89 - 18 [ 0.30 .. 2.81]
1403-> MET 23 HG2 - ALA 39 HB* [ 1.80 3.89] 0.00 0.00 0.01 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 0.00 - 2 [ 0.01 .. 0.33]
1408-> TYR 6 HB* - THR 8 HG2* [ 1.80 4.36] 1.17 1.00 0.00 1.12 0.00 0.96 0.00 0.84 1.10 0.00 0.73 0.85 0.00 0.92 0.00 1.02 1.01 0.00 1.07 1.11 - 13 [ 0.73 .. 1.17]
1409-> ILE 7 HA - THR 8 HG2* [ 1.80 5.09] 0.38 0.39 0.00 0.36 0.00 0.41 0.00 0.35 0.43 0.00 0.39 0.37 0.00 0.41 0.00 0.37 0.42 0.00 0.38 0.47 - 13 [ 0.35 .. 0.47]
1410-> TYR 6 HD* - THR 8 HG2* [ 1.80 4.84] 1.55 1.51 0.38 1.77 0.46 1.73 0.00 1.39 1.48 0.00 1.49 1.55 0.00 1.70 0.58 1.73 1.83 0.62 1.43 1.99 - 17 [ 0.38 .. 1.99]
1411-> THR 8 HG2* - ASN 50 HA [ 1.80 5.09] 0.00 0.00 0.67 0.00 0.50 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.74 0.00 0.00 - 5 [ 0.47 .. 0.74]
1412-> THR 8 HG2* - PHE 51 HN [ 1.80 5.44] 0.00 0.00 0.27 0.00 0.22 0.00 0.00 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.50 0.00 0.00 - 5 [ 0.16 .. 0.50]
1413-> ILE 7 HG12 - VAL 53 HG2* [ 1.80 4.22] 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 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.35 .. 1.35]
1414-> ILE 7 HG13 - VAL 53 HG2* [ 1.80 4.22] 0.00 0.00 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 - 1 [ 0.46 .. 0.46]
1415-> ARG 5 HB3 - VAL 53 HG2* [ 1.80 4.49] 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.06 1.80 0.00 0.00 0.77 0.58 0.00 0.97 0.00 0.18 0.00 0.00 0.00 - 7 [ 0.06 .. 1.80]
1418-> SER 52 HA - VAL 53 HG2* [ 1.80 4.95] 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 0.00 0.00 - 1 [ 0.51 .. 0.51]
1429-> ARG 5 HB3 - VAL 53 HG1* [ 1.80 5.81] 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 0.00 - 1 [ 0.24 .. 0.24]
1430-> VAL 53 HG1* - ILE 54 HA [ 1.80 4.30] 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.13 .. 1.13]
1433-> VAL 53 HG1* - ARG 57 HA [ 1.80 5.08] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.97 .. 0.97]
1437-> VAL 111 HG1* - LEU 115 HN [ 1.80 4.96] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.88 .. 0.92]
1438-> VAL 111 HG1* - GLN 116 HE21 [ 1.80 5.09] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 1.95 0.00 0.00 0.00 1.16 1.34 0.00 0.00 0.00 0.00 - 4 [ 1.16 .. 1.95]
1439-> VAL 111 HG1* - TRP 120 HD1 [ 1.80 5.91] 0.00 0.00 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 - 1 [ 0.32 .. 0.32]
1440-> VAL 111 HG1* - TRP 120 HZ3 [ 1.80 4.70] 0.82 1.95 1.77 1.80 2.59 1.04 2.29 0.26 1.63 1.46 0.54 2.19 0.13 2.57 1.28 1.80 0.02 1.69 1.95 1.56 - 20 [ 0.02 .. 2.59]
1446-> ILE 45 HB - LEU 102 HD2* [ 1.80 3.95] 0.91 1.25 0.71 0.72 0.52 0.90 0.59 0.86 0.95 0.00 1.10 0.22 1.25 0.00 0.50 0.25 0.04 0.60 0.51 0.54 - 18 [ 0.04 .. 1.25]
1447-> VAL 109 HG2* - ARG 110 HA [ 1.80 4.93] 0.59 0.60 0.59 0.57 0.56 0.62 0.60 0.61 0.73 0.58 0.65 0.57 0.62 0.60 0.60 0.61 0.59 0.61 0.58 0.61 - 20 [ 0.56 .. 0.73]
1448-> ILE 45 HA - LEU 102 HD2* [ 1.80 6.05] 0.33 0.56 0.26 0.27 0.18 0.36 0.29 0.23 0.07 0.00 0.67 0.06 0.62 0.00 0.14 0.05 0.00 0.06 0.20 0.22 - 17 [ 0.05 .. 0.67]
1450-> ILE 45 HN - LEU 102 HD2* [ 1.80 5.35] 1.31 1.58 1.07 1.36 0.92 1.43 1.08 1.28 1.27 0.00 1.44 0.71 1.62 0.62 1.06 0.67 0.61 1.19 0.93 1.04 - 19 [ 0.61 .. 1.62]
1451-> THR 60 HG2* - HIS 86 HE1 [ 1.80 4.48] 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 0.00 0.00 0.00 0.00 0.00 1.72 - 1 [ 1.72 .. 1.72]
1453-> LEU 102 HD2* - ASN 107 HN [ 1.80 6.05] 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.01 0.09 0.00 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.19 0.00 0.00 - 5 [ 0.01 .. 0.19]
1455-> LEU 63 HD1* - GLU 76 HG3 [ 1.80 4.27] 0.27 0.00 0.00 0.00 1.06 0.90 1.36 0.00 0.00 0.00 0.00 1.99 0.72 1.16 0.94 1.68 0.00 0.00 0.00 0.00 - 9 [ 0.27 .. 1.99]
1456-> LEU 63 HD1* - GLU 76 HG2 [ 1.80 4.22] 1.22 0.00 0.00 0.00 1.84 1.17 2.26 0.00 0.00 0.00 0.00 2.87 1.30 2.07 1.49 2.67 0.00 0.00 0.00 0.00 - 9 [ 1.17 .. 2.87]
1457-> MET 10 HE* - LEU 63 HD1* [ 1.80 4.46] 0.00 0.00 0.61 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.61 .. 1.81]
1458-> LEU 63 HD1* - SER 78 HB2 [ 1.80 4.07] 3.11 0.00 0.36 0.00 1.76 0.57 0.94 0.09 0.00 0.00 0.00 3.45 2.05 2.44 1.91 3.08 0.02 0.00 0.00 0.00 - 12 [ 0.02 .. 3.45]
1459-> LEU 63 HD1* - SER 78 HB3 [ 1.80 4.07] 2.61 0.42 0.00 0.00 0.61 1.87 2.22 0.00 0.00 0.00 0.33 2.58 1.10 1.53 0.82 2.24 0.00 0.50 0.00 0.00 - 12 [ 0.33 .. 2.61]
1460-> LEU 63 HD1* - PRO 79 HD3 [ 1.80 5.24] 1.13 0.57 0.00 0.00 0.00 1.09 1.17 0.00 0.00 0.19 0.00 1.74 0.01 0.53 0.00 1.80 0.00 0.00 0.00 0.00 - 9 [ 0.01 .. 1.80]
1461-> LEU 63 HD1* - SER 78 HA [ 1.80 4.06] 1.69 0.06 0.00 0.00 0.84 1.35 1.65 0.00 0.00 0.00 0.00 2.71 1.01 1.70 0.97 2.38 0.00 0.00 0.00 0.00 - 10 [ 0.06 .. 2.71]
1462-> LEU 63 HD1* - ILE 77 HN [ 1.80 4.89] 0.42 0.00 0.08 0.00 1.73 1.66 2.04 0.00 0.00 0.00 0.00 2.71 1.48 2.08 1.75 2.47 0.00 0.00 0.00 0.00 - 10 [ 0.08 .. 2.71]
1463-> LEU 102 HB2 - VAL 109 HG1* [ 1.80 3.81] 0.07 0.00 0.25 0.08 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.00 0.58 0.11 0.00 0.29 0.00 0.00 0.00 - 7 [ 0.07 .. 0.58]
1464-> ILE 45 HB - VAL 109 HG1* [ 1.80 4.20] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.12 0.00 0.00 0.00 - 2 [ 0.12 .. 0.22]
1467-> THR 68 HG2* - VAL 74 HG1* [ 1.80 3.40] 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 0.00 0.00 0.00 - 1 [ 0.42 .. 0.42]
1470-> LEU 58 HD1* - LEU 115 HD2* [ 1.80 4.15] 0.00 0.00 1.07 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 - 2 [ 0.28 .. 1.07]
1471-> LEU 32 HD2* - VAL 91 HG2* [ 1.80 3.58] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.32 .. 0.32]
1472-> LEU 32 HD2* - PRO 79 HB2 [ 1.80 4.93] 0.00 0.00 0.00 0.00 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 0.05 - 2 [ 0.05 .. 0.22]
1473-> LEU 32 HD2* - PRO 79 HA [ 1.80 3.65] 0.00 0.00 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 - 1 [ 0.32 .. 0.32]
1474-> PHE 51 HZ - LEU 115 HD2* [ 1.80 4.86] 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.29 .. 1.09]
1476-> LEU 115 HD2* - ARG 117 HN [ 1.80 6.05] 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.15 .. 0.53]
1480-> LEU 115 HD2* - PHE 118 HN [ 1.80 5.09] 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.10 1.27 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.10 .. 1.27]
1482-> THR 68 HG2* - VAL 74 HG2* [ 1.80 3.59] 0.00 0.00 0.18 0.00 0.00 0.17 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.06 .. 0.28]
1491-> THR 114 HG2* - PHE 118 HZ [ 1.80 6.05] 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 0.00 0.00 0.18 0.00 - 2 [ 0.00 .. 0.18]
1492-> THR 114 HG2* - PHE 118 HD* [ 1.80 4.53] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.32 0.51 0.00 0.00 0.00 0.00 0.86 0.00 - 4 [ 0.32 .. 0.86]
1494-> LYS 113 HN - THR 114 HG2* [ 1.80 5.38] 0.00 0.58 0.60 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 0.62 0.00 0.00 - 4 [ 0.58 .. 0.68]
1495-> LEU 22 HD2* - ALA 39 HB* [ 1.80 3.97] 0.08 0.11 0.09 0.10 0.00 0.06 0.52 0.00 0.06 0.05 0.04 0.03 0.00 0.05 0.10 0.16 0.11 0.32 0.09 0.08 - 17 [ 0.03 .. 0.52]
1496-> LEU 22 HD2* - MET 23 HG2 [ 1.80 4.98] 1.30 1.26 1.08 1.22 1.05 1.15 3.00 1.17 1.20 1.24 1.17 1.26 1.29 1.23 1.21 1.23 1.13 0.25 1.11 1.25 - 20 [ 0.25 .. 3.00]
1497-> PHE 20 HE* - LEU 22 HD2* [ 1.80 5.58] 0.00 1.42 1.33 1.53 2.83 1.82 0.00 0.00 2.45 1.59 1.74 2.12 1.96 1.52 1.59 0.00 1.33 0.00 0.00 2.22 - 14 [ 1.33 .. 2.83]
1498-> LEU 80 HD2* - PRO 81 HG* [ 1.80 4.16] 0.21 0.06 0.00 0.00 0.00 0.00 0.00 0.35 0.11 0.16 0.00 0.00 0.08 1.47 0.00 0.08 0.00 0.24 0.04 0.10 - 11 [ 0.04 .. 1.47]
1499-> CYS 33 HB3 - LEU 80 HD2* [ 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 1.47 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.47 .. 1.47]
1500-> CYS 33 HB2 - LEU 80 HD2* [ 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 0.11 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.11 .. 0.11]
1501-> LEU 80 HD2* - PRO 81 HD2 [ 1.80 3.95] 0.00 0.00 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 0.00 0.00 0.00 0.00 - 1 [ 0.30 .. 0.30]
1502-> LEU 80 HD2* - PRO 81 HD3 [ 1.80 3.95] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.18 .. 1.18]
1509-> LEU 64 HD2* - GLU 76 HA [ 1.80 5.49] 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.39 .. 0.39]
1510-> LEU 64 HD2* - ILE 77 HN [ 1.80 4.22] 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 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.32 .. 0.32]
1518-> LEU 22 HD1* - MET 23 HG2 [ 1.80 4.98] 1.36 1.23 1.07 1.25 1.06 1.20 2.73 1.30 1.14 1.21 1.18 1.11 1.35 1.25 1.27 1.08 1.16 0.00 1.05 1.11 - 19 [ 1.05 .. 2.73]
1521-> LEU 58 HD2* - ILE 88 HB [ 1.80 4.10] 0.48 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.06 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.06 .. 1.52]
1524-> VAL 111 HA - LEU 115 HD1* [ 1.80 5.53] 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.01 .. 0.17]
1525-> LYS 48 HA - LEU 115 HD1* [ 1.80 4.77] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.79 .. 0.79]
1527-> LEU 58 HD2* - ILE 88 HN [ 1.80 4.86] 0.00 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 - 1 [ 0.21 .. 0.21]
1533-> ILE 12 HA - LEU 15 HD1* [ 1.80 4.18] 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.74 0.00 - 4 [ 0.46 .. 1.06]
1535-> ILE 12 HN - LEU 15 HD1* [ 1.80 6.05] 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.35 0.00 - 4 [ 0.24 .. 0.62]
1536-> ILE 12 HA - LEU 15 HG [ 1.80 5.12] 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 0.00 0.00 0.00 - 1 [ 0.36 .. 0.36]
1538-> LEU 15 HA - LEU 63 HD2* [ 1.80 4.20] 0.00 0.00 0.00 0.00 0.77 0.77 1.40 0.00 0.00 0.00 0.00 0.62 0.88 0.56 1.41 0.39 0.00 0.00 0.00 0.34 - 9 [ 0.34 .. 1.41]
1539-> LEU 63 HD2* - ARG 65 HE [ 1.80 4.37] 0.00 0.00 0.00 0.00 0.17 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.10 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.07 .. 0.17]
1540-> PRO 31 HA - LEU 80 HD1* [ 1.80 4.22] 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 0.51 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.04 .. 0.51]
1543-> LEU 80 HD1* - PHE 83 HD* [ 1.80 3.90] 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 0.89 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.89 .. 0.89]
1544-> LEU 32 HN - LEU 80 HD1* [ 1.80 4.85] 0.00 0.19 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 - 2 [ 0.14 .. 0.19]
1551-> PRO 2 HG2 - ILE 54 HD1* [ 1.80 4.83] 0.33 0.00 0.00 0.00 0.00 1.68 0.00 0.00 2.76 0.00 0.00 0.00 3.53 0.00 0.00 0.00 3.08 0.97 0.00 0.00 - 6 [ 0.33 .. 3.53]
1552-> PRO 2 HG3 - ILE 54 HD1* [ 1.80 4.83] 0.90 0.00 0.00 0.00 0.00 2.36 0.00 0.32 3.38 0.00 0.00 0.00 3.68 0.04 0.00 0.00 3.77 1.99 0.43 0.00 - 9 [ 0.04 .. 3.77]
1553-> ARG 5 HG* - TYR 6 HA [ 1.80 4.58] 0.00 1.39 1.55 1.34 1.29 1.26 1.33 1.33 1.56 1.34 1.35 0.00 0.00 1.30 0.00 1.36 1.31 1.28 1.31 1.40 - 16 [ 1.26 .. 1.56]
1554-> ARG 5 HG* - VAL 53 HN [ 1.80 5.63] 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.00 - 4 [ 0.00 .. 0.30]
1555-> ARG 5 HG* - VAL 53 HG2* [ 1.80 4.27] 0.41 0.86 0.00 0.32 0.37 0.88 0.35 1.22 1.42 0.00 0.00 0.00 0.00 0.74 0.00 0.28 0.74 0.85 0.96 0.00 - 13 [ 0.28 .. 1.42]
1562-> ILE 54 HG13 - PHE 55 HD* [ 1.80 5.27] 0.00 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 0.00 0.00 0.00 0.36 - 2 [ 0.35 .. 0.36]
1571-> ILE 45 HG12 - THR 68 HN [ 1.80 6.03] 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 0.00 0.00 - 1 [ 0.82 .. 0.82]
1580-> LYS 25 HD* - GLN 38 HG2 [ 1.80 4.81] 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.48 0.08 0.04 0.00 0.00 0.00 0.73 - 6 [ 0.04 .. 0.73]
1583-> LYS 27 HD2 - VAL 97 HG1* [ 1.80 4.42] 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.53 0.16 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 - 4 [ 0.16 .. 1.54]
1584-> LYS 27 HD3 - VAL 97 HG1* [ 1.80 4.42] 0.00 0.00 0.78 0.00 0.00 0.93 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 - 4 [ 0.78 .. 1.27]
1589-> GLU 29 HB2 - VAL 97 HG1* [ 1.80 4.14] 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 0.20 - 1 [ 0.20 .. 0.20]
1591-> MET 41 HG3 - ASN 105 HB3 [ 1.80 4.63] 1.80 0.13 0.00 0.00 2.03 0.00 0.00 2.02 0.00 0.00 2.01 2.05 2.18 0.00 0.00 0.00 0.00 0.02 0.00 1.77 - 9 [ 0.02 .. 2.18]
1592-> MET 41 HG2 - ASN 105 HB3 [ 1.80 4.72] 1.19 1.52 1.35 0.00 1.14 0.00 0.00 1.11 0.80 0.00 1.16 1.61 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.87 - 10 [ 0.80 .. 1.61]
1594-> SER 4 HB2 - ILE 54 HD1* [ 1.80 4.97] 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 3.17 0.00 0.89 0.00 0.09 0.00 0.77 0.69 0.00 0.00 - 6 [ 0.09 .. 3.17]
1595-> SER 4 HB3 - ILE 54 HD1* [ 1.80 4.97] 0.00 0.00 0.00 0.56 1.72 0.16 0.47 0.20 0.00 1.06 2.54 0.84 0.52 1.19 1.58 0.40 2.17 2.09 0.31 0.81 - 16 [ 0.16 .. 2.54]
1596-> PRO 130 HA - LEU 131 HG [ 1.80 4.31] 0.00 2.35 2.25 2.24 2.33 2.22 0.00 0.00 0.00 2.35 2.20 2.22 2.39 0.00 2.29 0.00 0.16 2.18 2.29 0.00 - 13 [ 0.16 .. 2.39]
1599-> THR 132 HA - LEU 133 HG [ 1.80 4.52] 2.02 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 0.00 0.00 0.00 0.97 0.00 2.21 - 3 [ 0.97 .. 2.21]
1601-> LYS 92 HA - TRP 120 HZ3 [ 1.80 5.91] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 3.45 0.00 0.00 0.00 3.62 0.00 0.00 0.00 - 3 [ 2.28 .. 3.62]
1604-> ILE 88 HG2* - GLU 89 HA [ 1.80 4.86] 0.70 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 0.00 0.00 0.00 0.00 0.71 - 2 [ 0.70 .. 0.71]
1608-> LEU 15 HD2* - SER 16 HA [ 1.80 5.28] 0.30 0.26 0.00 0.49 0.29 0.40 0.49 0.43 0.32 0.00 0.24 0.38 0.20 0.36 0.00 0.44 0.34 0.37 0.00 0.46 - 16 [ 0.20 .. 0.49]
1618-> MET 23 HB2 - GLN 38 HA [ 1.80 5.03] 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 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 [ 1.30 .. 1.30]
1619-> ASP 9 HA - ALA 49 HN [ 1.80 5.71] 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.26 .. 0.26]
1624-> ARG 5 HG* - SER 52 HA [ 1.80 6.05] 0.00 1.20 0.75 0.97 1.04 1.12 0.90 0.46 0.76 1.14 1.38 0.00 0.00 0.78 0.00 1.05 1.21 0.63 0.35 0.97 - 16 [ 0.35 .. 1.38]
1633-> PRO 130 HB2 - LEU 131 HA [ 1.80 4.89] 0.00 0.00 0.14 0.03 0.06 0.11 0.00 0.00 0.00 0.00 0.08 0.07 0.16 0.00 0.00 0.02 0.00 0.00 0.11 0.00 - 9 [ 0.02 .. 0.16]
1636-> ARG 57 HA - ILE 88 HD1* [ 1.80 4.98] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 - 1 [ 0.75 .. 0.75]
1639-> MET 46 HA - LEU 47 HG [ 1.80 6.05] 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 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.49 .. 0.49]
1641-> MET 46 HA - LEU 47 HD2* [ 1.80 4.63] 0.00 1.42 0.00 0.00 0.59 0.81 0.52 0.58 0.77 1.10 0.00 0.65 0.60 0.98 0.74 0.58 0.79 0.78 0.61 0.88 - 16 [ 0.52 .. 1.42]
1643-> MET 23 HG2 - ALA 39 HA [ 1.80 4.85] 0.08 0.00 0.04 0.00 0.80 0.09 0.70 0.05 0.43 0.00 0.14 0.22 0.11 0.00 0.08 0.40 0.26 0.00 0.46 0.54 - 15 [ 0.04 .. 0.80]
1645-> LEU 63 HD1* - PRO 79 HD2 [ 1.80 5.24] 1.19 0.00 0.00 0.00 0.00 0.06 0.19 0.00 0.00 0.00 0.00 1.62 0.05 0.44 0.00 1.03 0.00 0.00 0.00 0.00 - 7 [ 0.05 .. 1.62]
1646-> MET 41 HB2 - ASN 105 HA [ 1.80 6.05] 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.60 0.00 0.79 0.00 - 4 [ 0.56 .. 0.79]
1650-> PHE 83 HD* - PRO 84 HD2 [ 1.80 4.84] 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 0.00 0.00 0.11 0.03 0.00 0.00 - 2 [ 0.03 .. 0.11]
1652-> PHE 83 HN - PRO 84 HD2 [ 1.80 5.03] 0.29 0.03 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 0.28 0.00 0.00 0.16 0.00 - 4 [ 0.03 .. 0.29]
1653-> GLY 96 HA3 - TRP 120 HZ3 [ 1.80 6.04] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.82 4.36 0.00 0.00 0.00 4.17 0.00 0.00 0.00 - 3 [ 3.82 .. 4.36]
1660-> MET 10 HE* - LEU 63 HB2 [ 1.80 5.15] 0.00 0.30 1.61 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.30 .. 1.65]
1661-> MET 10 HE* - LEU 63 HB3 [ 1.80 5.15] 0.37 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.31 .. 1.01]
1664-> GLY 127 HA* - ARG 128 HG* [ 1.80 5.01] 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 0.00 - 1 [ 0.29 .. 0.29]
1672-> ARG 5 HD3 - ILE 7 HD1* [ 1.80 5.35] 0.00 0.69 1.75 0.92 0.00 0.00 1.07 0.00 2.44 1.29 1.45 0.00 0.00 0.00 0.00 1.10 1.17 0.00 1.18 0.30 - 11 [ 0.30 .. 2.44]
1676-> ARG 117 HD2 - PHE 118 HN [ 1.80 5.62] 0.00 0.44 0.35 0.30 0.52 0.54 0.33 0.40 0.37 0.50 0.16 0.14 0.40 0.34 0.31 0.18 0.52 0.02 0.00 0.00 - 17 [ 0.02 .. 0.54]
1677-> ARG 117 HD3 - PHE 118 HN [ 1.80 5.62] 0.00 0.84 0.00 0.67 1.12 0.91 0.72 0.80 0.82 0.87 0.57 0.62 0.78 0.00 0.00 0.97 0.00 0.49 0.09 0.00 - 14 [ 0.09 .. 1.12]
1678-> THR 114 HA - ARG 117 HD3 [ 1.80 6.05] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 1.16 0.00 0.94 1.28 0.00 1.24 0.47 0.00 0.00 0.00 0.00 - 6 [ 0.47 .. 1.28]
1679-> THR 114 HA - ARG 117 HD2 [ 1.80 6.05] 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 1.39 0.00 0.00 0.00 0.22 0.00 - 2 [ 0.22 .. 1.39]
1680-> MET 10 HB* - LEU 15 HB* [ 1.80 4.73] 0.80 0.00 0.00 0.00 0.69 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 - 4 [ 0.04 .. 0.80]
1683-> ILE 40 HG2* - LYS 43 HE3 [ 1.80 4.64] 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 0.00 0.00 0.00 0.12 0.00 0.00 0.00 - 1 [ 0.12 .. 0.12]
1684-> LYS 27 HE* - VAL 97 HG2* [ 1.80 5.22] 0.00 0.00 0.97 0.00 0.94 0.75 1.16 0.23 0.78 0.00 1.25 0.00 0.51 0.25 0.53 0.73 0.37 1.09 0.73 1.57 - 15 [ 0.23 .. 1.57]
1685-> LYS 27 HE* - VAL 97 HG1* [ 1.80 4.14] 0.00 0.00 0.68 0.00 0.45 0.48 0.58 0.00 0.25 0.00 0.88 0.00 0.00 0.00 0.07 0.19 0.00 1.48 0.05 0.75 - 11 [ 0.05 .. 1.48]
1687-> LYS 25 HE* - ILE 36 HG2* [ 1.80 4.85] 0.00 0.36 0.62 0.81 2.17 0.00 1.89 1.31 2.19 0.21 0.00 0.87 0.05 1.31 1.41 1.69 1.38 0.31 1.20 2.03 - 17 [ 0.05 .. 2.19]
1691-> LEU 22 HB3 - MET 23 HG2 [ 1.80 5.38] 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 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 [ 1.62 .. 1.62]
1692-> LEU 22 HB2 - MET 23 HG2 [ 1.80 5.38] 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.01 .. 1.14]
1697-> ILE 54 HB - PHE 55 HD* [ 1.80 5.82] 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 - 2 [ 1.23 .. 1.26]
1698-> VAL 53 HA - ILE 54 HB [ 1.80 4.92] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.93 0.92 0.00 0.00 - 3 [ 0.86 .. 0.93]
1700-> ILE 54 HB - GLU 59 HA [ 1.80 6.05] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.00 0.00 0.16 0.00 0.00 0.00 - 2 [ 0.16 .. 0.16]
1701-> SER 4 HB2 - ILE 54 HB [ 1.80 6.05] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 2.47 .. 2.47]
1702-> SER 4 HB3 - ILE 54 HB [ 1.80 6.05] 0.00 0.00 0.00 0.20 1.16 0.00 0.20 0.00 0.00 0.58 1.73 0.49 0.00 0.70 0.92 0.11 0.09 1.24 0.00 0.00 - 11 [ 0.09 .. 1.73]
1714-> LEU 63 HG - GLU 76 HG3 [ 1.80 5.47] 1.67 0.00 0.00 0.00 1.68 1.48 1.67 0.00 0.00 0.00 0.00 2.03 1.59 1.32 1.68 1.73 0.00 0.00 0.00 0.00 - 9 [ 1.32 .. 2.03]
1715-> LEU 63 HG - GLU 76 HG2 [ 1.80 6.05] 1.63 0.00 0.00 0.00 1.58 0.64 1.65 0.00 0.00 0.00 0.00 1.94 1.07 1.27 1.17 1.81 0.00 0.00 0.00 0.00 - 9 [ 0.64 .. 1.94]
1716-> MET 41 HB3 - ASP 106 HB2 [ 1.80 6.05] 0.00 0.60 0.00 0.00 0.00 0.38 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.38 .. 0.85]
1717-> MET 41 HB3 - ASP 106 HB3 [ 1.80 5.04] 0.27 0.00 1.27 0.03 0.00 2.96 0.00 0.00 0.25 0.29 0.00 0.64 0.00 0.28 3.45 0.00 0.00 2.52 0.00 0.00 - 10 [ 0.03 .. 3.45]
1718-> GLU 29 HG* - ASN 93 HB3 [ 1.80 4.93] 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 1.02 0.00 0.99 - 2 [ 0.99 .. 1.02]
1729-> ASN 44 HB* - GLU 69 HG2 [ 1.80 4.29] 0.00 0.00 0.00 0.00 0.42 0.00 0.57 0.00 0.30 0.00 0.00 0.32 0.51 0.00 0.00 0.72 0.90 0.00 0.38 0.00 - 8 [ 0.30 .. 0.90]
1730-> ASN 44 HB* - GLU 69 HG3 [ 1.80 4.29] 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 0.00 0.00 0.31 0.00 0.00 0.00 - 1 [ 0.31 .. 0.31]
1733-> ILE 88 HG2* - GLU 89 HG3 [ 1.80 4.21] 0.77 0.00 1.25 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 0.00 0.00 0.66 - 3 [ 0.66 .. 1.25]
1734-> ILE 12 HG2* - GLU 13 HG3 [ 1.80 5.36] 0.00 0.08 0.00 0.00 0.22 0.13 0.04 0.00 0.15 0.10 0.00 0.04 0.09 0.04 0.07 0.00 0.00 0.22 0.00 0.00 - 13 [ 0.00 .. 0.22]
1735-> ILE 12 HG2* - GLU 13 HG2 [ 1.80 5.36] 0.73 0.76 0.67 0.00 0.88 0.78 0.75 0.00 0.78 0.80 0.73 0.74 0.79 0.73 0.75 0.00 0.00 0.86 0.55 0.64 - 16 [ 0.55 .. 0.88]
1736-> THR 87 HG2* - GLU 89 HG3 [ 1.80 6.05] 0.00 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 0.00 0.00 0.00 0.00 - 1 [ 0.45 .. 0.45]
1737-> THR 87 HG2* - GLU 89 HG2 [ 1.80 6.05] 0.40 0.07 0.00 0.00 0.00 0.13 0.33 0.00 0.39 0.91 0.00 0.34 0.30 0.00 0.33 0.00 0.21 0.30 0.39 0.08 - 13 [ 0.07 .. 0.91]
1745-> GLU 29 HG* - ASN 93 HB2 [ 1.80 4.93] 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 1.70 0.00 1.40 - 2 [ 1.40 .. 1.70]
1749-> ASP 37 HA - GLN 38 HG2 [ 1.80 4.81] 0.34 0.38 0.27 0.48 0.34 0.41 0.00 0.49 0.00 0.38 0.39 0.48 0.36 0.38 0.51 0.48 0.00 0.44 0.00 0.31 - 16 [ 0.27 .. 0.51]
1751-> ILE 36 HG2* - GLN 38 HG3 [ 1.80 4.64] 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.50 0.00 - 4 [ 0.43 .. 0.55]
1752-> GLN 38 HG3 - ALA 39 HB* [ 1.80 6.05] 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.29 0.00 - 4 [ 0.11 .. 0.31]
1753-> MET 23 HB2 - GLN 38 HG3 [ 1.80 4.03] 0.00 0.00 0.00 0.00 0.07 0.00 2.32 0.00 0.67 0.00 0.00 0.28 0.00 0.00 0.04 0.06 0.40 0.00 0.65 0.18 - 9 [ 0.04 .. 2.32]
1754-> MET 23 HB3 - GLN 38 HG3 [ 1.80 4.23] 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.84 .. 0.84]
1756-> MET 23 HB3 - GLN 38 HG2 [ 1.80 5.01] 0.24 0.16 0.00 0.21 0.31 0.00 0.00 0.22 0.00 0.19 0.00 0.33 0.13 0.25 0.28 0.20 0.00 0.00 0.00 0.28 - 12 [ 0.13 .. 0.33]
1758-> ASP 37 HA - GLN 38 HG3 [ 1.80 4.84] 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 1.02 0.00 - 4 [ 0.66 .. 1.02]
1760-> MET 10 HG* - LEU 15 HG [ 1.80 6.05] 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.33 0.00 - 4 [ 0.08 .. 1.56]
1761-> GLN 26 HG2 - VAL 28 HG2* [ 1.80 5.70] 0.00 0.43 0.30 0.00 0.00 0.68 0.00 0.00 0.00 0.52 0.82 0.00 0.00 0.65 0.00 0.00 0.00 0.87 0.00 0.00 - 7 [ 0.30 .. 0.87]
1762-> GLN 26 HG3 - VAL 28 HG2* [ 1.80 5.70] 0.00 0.78 0.58 0.00 0.00 1.07 0.00 0.00 0.00 0.90 1.21 0.00 0.00 0.91 0.00 0.00 0.00 0.87 0.00 0.00 - 7 [ 0.58 .. 1.21]
1765-> LYS 25 HB2 - ILE 36 HG2* [ 1.80 4.47] 0.00 0.00 0.44 0.05 1.01 0.00 0.79 0.39 1.04 0.00 0.00 0.52 0.00 0.32 0.58 0.68 0.29 0.10 0.34 0.87 - 14 [ 0.05 .. 1.04]
1766-> VAL 111 HB - GLN 116 HE21 [ 1.80 5.33] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 0.00 0.00 2.70 0.00 0.00 0.00 2.02 0.77 0.00 0.00 0.00 0.00 - 4 [ 0.77 .. 2.70]
1768-> VAL 111 HG1* - GLN 116 HG3 [ 1.80 4.46] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.50 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.50 .. 2.20]
1769-> VAL 111 HG2* - GLN 116 HG3 [ 1.80 4.87] 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 2.02 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.21 .. 2.02]
1772-> MET 46 HG2 - LYS 48 HG* [ 1.80 4.76] 0.00 0.00 0.00 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 - 1 [ 0.83 .. 0.83]
1773-> ARG 5 HB2 - VAL 53 HG2* [ 1.80 4.82] 1.07 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 0.11 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.11 .. 1.07]
1774-> ARG 5 HB3 - TYR 6 HA [ 1.80 5.57] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.24 0.00 0.24 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.20 .. 0.24]
1775-> ARG 5 HB3 - VAL 53 HA [ 1.80 6.05] 0.00 1.34 1.76 0.55 0.40 0.36 0.56 0.74 1.72 0.29 0.71 1.21 1.11 0.08 1.32 0.44 1.01 0.26 0.30 0.69 - 19 [ 0.08 .. 1.76]
1776-> LEU 22 HD1* - MET 23 HG3 [ 1.80 6.05] 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 0.00 0.00 0.00 - 1 [ 1.39 .. 1.39]
1777-> LEU 22 HD2* - MET 23 HG3 [ 1.80 6.05] 0.00 0.00 0.00 0.00 0.00 0.00 1.38 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 - 2 [ 0.66 .. 1.38]
1778-> MET 23 HG2 - GLN 38 HN [ 1.80 5.51] 0.17 0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.12 0.00 0.05 0.00 0.00 0.00 0.08 0.00 0.04 0.00 0.00 0.07 - 8 [ 0.01 .. 0.17]
1784-> CYS 33 HB3 - LEU 80 HG [ 1.80 5.28] 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 0.97 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.97 .. 0.97]
1792-> MET 10 HE* - ASN 50 HD21 [ 1.80 5.35] 0.26 0.81 0.32 0.00 0.00 0.31 0.70 0.00 0.00 0.00 0.00 0.66 0.00 3.25 0.00 0.00 0.34 0.00 0.00 0.00 - 8 [ 0.26 .. 3.25]
1794-> MET 10 HE* - LEU 63 HN [ 1.80 5.14] 0.08 1.57 1.83 0.00 0.93 0.10 2.07 0.00 0.00 0.00 0.00 0.13 0.00 3.01 0.00 0.00 0.70 0.00 0.00 0.00 - 9 [ 0.08 .. 3.01]
1795-> MET 10 HE* - PHE 67 HE* [ 1.80 5.63] 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 - 3 [ 0.01 .. 1.30]
1796-> MET 46 HA - MET 46 HE* [ 1.80 4.18] 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 0.00 0.00 0.00 0.00 - 1 [ 0.43 .. 0.43]
1798-> MET 46 HE* - SER 112 HA [ 1.80 4.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.89 0.00 0.09 0.00 0.00 0.00 - 3 [ 0.09 .. 0.89]
1799-> MET 46 HE* - ARG 110 HD* [ 1.80 3.76] 1.57 1.86 3.40 1.24 0.35 1.74 0.73 1.03 0.00 1.25 2.02 0.24 0.46 1.33 0.98 0.23 0.04 0.94 0.37 0.53 - 19 [ 0.04 .. 3.40]
1802-> MET 41 HE* - ASN 105 HA [ 1.80 4.33] 0.27 0.00 0.00 1.27 0.39 0.56 0.00 0.63 0.00 0.00 0.57 0.82 0.67 0.00 0.00 0.00 0.00 0.71 0.00 0.21 - 10 [ 0.21 .. 1.27]
1803-> CYS 33 HA - ILE 34 HG12 [ 1.80 4.52] 0.97 1.11 1.12 1.12 1.00 1.08 0.00 1.05 1.12 1.10 1.01 1.15 1.08 1.10 0.97 1.15 1.04 0.93 1.11 1.08 - 19 [ 0.93 .. 1.15]
1804-> ILE 54 HG2* - PHE 55 HZ [ 1.80 5.05] 0.00 0.20 3.31 0.54 0.53 0.32 0.42 0.00 0.00 0.44 1.28 0.44 1.11 0.26 1.16 0.41 0.88 0.99 0.08 3.29 - 17 [ 0.08 .. 3.31]
1807-> MET 21 HE* - GLY 75 HA2 [ 1.80 6.05] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.17 0.00 0.00 0.00 - 2 [ 0.17 .. 0.37]
1809-> MET 46 HE* - LEU 47 HN [ 1.80 4.29] 0.20 0.16 0.29 0.00 0.25 0.19 0.09 0.11 0.21 0.09 0.25 0.15 0.12 0.00 0.73 0.24 0.05 0.08 0.13 0.27 - 18 [ 0.05 .. 0.73]
1810-> MET 46 HE* - VAL 111 HN [ 1.80 4.96] 0.00 0.54 1.26 0.00 0.00 1.18 0.00 0.00 0.10 0.33 0.36 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 - 7 [ 0.10 .. 1.26]
1811-> MET 46 HE* - SER 112 HN [ 1.80 4.94] 0.00 0.00 0.00 0.00 0.00 0.28 0.18 0.07 0.08 0.04 0.09 0.07 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 - 9 [ 0.00 .. 1.55]
1812-> MET 46 HE* - LYS 113 HN [ 1.80 4.64] 0.00 0.29 0.00 0.00 0.00 0.14 0.55 0.15 0.24 1.15 0.00 0.55 0.20 0.00 0.56 0.39 0.80 0.40 0.48 0.19 - 14 [ 0.14 .. 1.15]
1821-> ILE 99 HG2* - TRP 120 HH2 [ 1.80 5.94] 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.22 .. 1.94]
1823-> ARG 57 HD3 - ILE 88 HD1* [ 1.80 4.54] 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.06 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 - 4 [ 0.03 .. 1.05]
1826-> MET 10 HE* - LEU 64 HA [ 1.80 3.92] 0.00 1.62 1.01 0.00 0.44 0.53 1.19 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.39 0.00 0.00 0.00 - 7 [ 0.39 .. 1.62]
1827-> MET 10 HE* - LEU 15 HA [ 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 0.00 0.00 0.00 0.00 0.00 0.17 - 1 [ 0.17 .. 0.17]
1828-> MET 46 HE* - ARG 110 HA [ 1.80 5.13] 0.45 0.77 2.09 0.00 0.00 0.77 0.00 0.00 0.00 0.31 0.73 0.00 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 - 7 [ 0.31 .. 2.09]
1830-> MET 41 HE* - ASN 105 HD21 [ 1.80 4.92] 1.41 1.45 1.32 1.52 1.61 0.00 0.79 1.44 0.96 0.82 1.45 1.53 1.60 0.79 0.00 1.38 1.45 0.00 1.49 1.28 - 17 [ 0.79 .. 1.61]
1832-> MET 41 HE* - ASN 105 HB2 [ 1.80 4.39] 1.19 0.44 0.61 1.94 1.38 0.49 0.21 1.16 0.21 0.30 1.17 1.55 1.21 0.31 0.00 0.65 0.76 0.55 0.73 1.07 - 19 [ 0.21 .. 1.94]
1836-> MET 41 HE* - ASN 105 HN [ 1.80 5.36] 1.49 0.31 0.06 2.38 1.59 1.21 0.00 1.67 0.19 0.00 1.61 1.96 1.66 0.00 0.00 0.00 0.13 1.45 0.18 1.42 - 15 [ 0.06 .. 2.38]
1838-> MET 41 HB3 - ASP 106 HN [ 1.80 6.05] 0.00 1.58 1.44 0.00 0.00 0.45 0.00 0.00 1.64 0.00 0.00 0.21 0.00 0.00 1.88 0.05 0.21 0.37 0.04 0.00 - 10 [ 0.04 .. 1.88]
1841-> LEU 47 HN - VAL 111 HG1* [ 1.80 4.91] 0.00 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 0.00 0.20 0.00 0.00 - 2 [ 0.15 .. 0.20]
1847-> LEU 58 HD1* - LEU 115 HD1* [ 1.80 4.91] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.49 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.02 0.00 1.03 - 5 [ 0.02 .. 1.03]
1848-> LEU 47 HD1* - ILE 95 HG2* [ 1.80 3.86] 0.00 0.15 0.00 0.00 0.62 0.54 0.76 0.71 0.51 0.59 0.00 0.74 0.49 0.64 0.26 0.57 0.75 0.71 0.55 0.58 - 16 [ 0.15 .. 0.76]
1849-> MET 10 HE* - ALA 49 HB* [ 1.80 4.40] 0.00 1.49 0.77 0.00 0.91 1.45 1.35 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.09 0.00 0.00 0.00 - 7 [ 0.77 .. 1.49]
1852-> ARG 57 HG2 - ILE 88 HD1* [ 1.80 4.96] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 - 1 [ 0.58 .. 0.58]
1868-> VAL 111 HG2* - TRP 120 HZ3 [ 1.80 4.94] 0.00 0.79 0.54 0.45 2.16 0.00 1.23 1.53 0.54 0.62 1.84 2.16 1.88 1.88 0.18 0.60 0.00 1.36 0.80 0.70 - 17 [ 0.18 .. 2.16]
1869-> ARG 110 HG* - VAL 111 HG2* [ 1.80 4.42] 0.98 1.14 1.09 1.26 1.03 1.40 1.01 1.04 0.05 1.03 0.99 1.01 2.49 1.08 1.36 1.06 1.05 2.47 0.95 1.05 - 20 [ 0.05 .. 2.49]
1873-> PRO 79 HB2 - HIS 86 HE1 [ 1.80 5.14] 0.00 0.00 0.07 0.00 0.00 0.00 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 - 2 [ 0.07 .. 0.94]
1874-> THR 114 HB - PHE 118 HD* [ 1.80 4.66] 0.00 0.05 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 - 3 [ 0.04 .. 0.27]
1876-> TRP 19 HN - TRP 19 HD1 [ 1.80 3.90] 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.79 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.68 - 5 [ 0.68 .. 0.93]
1877-> ASP 18 HA - TRP 19 HD1 [ 1.80 4.32] 0.00 0.00 0.00 0.00 2.57 0.00 0.00 0.00 2.42 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.49 - 5 [ 2.42 .. 2.63]
1883-> TYR 6 HE* - PHE 51 HA [ 1.80 5.70] 0.00 0.22 0.00 0.46 0.67 0.72 0.68 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.00 0.70 0.53 0.00 0.08 1.51 - 10 [ 0.08 .. 1.51]
1885-> TYR 6 HE* - ILE 62 HD1* [ 1.80 3.40] 0.00 0.00 0.00 0.67 0.87 1.25 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.88 0.00 0.00 1.80 - 7 [ 0.67 .. 1.80]
1886-> TYR 6 HN - TYR 6 HD* [ 1.80 4.11] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.19 .. 0.28]
1890-> ARG 5 HA - TYR 6 HD* [ 1.80 4.50] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 1.36 .. 1.38]
1891-> TYR 6 HD* - ILE 62 HD1* [ 1.80 4.02] 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.37 - 3 [ 0.21 .. 0.37]
1893-> THR 114 HB - PHE 118 HE* [ 1.80 4.74] 0.00 0.53 0.64 0.00 0.83 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 - 5 [ 0.53 .. 1.08]
1903-> TRP 19 HA - PHE 20 HD* [ 1.80 4.48] 1.32 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 1.47 0.00 - 2 [ 1.32 .. 1.47]
1906-> PHE 51 HZ - THR 114 HB [ 1.80 4.51] 0.00 0.10 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 0.00 0.37 0.00 0.00 - 3 [ 0.10 .. 0.49]
1907-> MET 10 HB* - PHE 67 HZ [ 1.80 5.37] 0.00 0.09 0.91 0.00 0.00 2.33 1.75 0.00 0.00 1.11 0.00 0.51 0.00 0.00 0.00 0.00 0.96 1.41 0.00 0.00 - 8 [ 0.09 .. 2.33]
1908-> ILE 54 HG12 - PHE 55 HZ [ 1.80 4.77] 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 3.41 0.00 0.25 0.00 2.70 2.58 0.00 3.81 - 7 [ 0.22 .. 3.93]
1909-> ILE 54 HD1* - PHE 55 HZ [ 1.80 5.30] 0.00 0.00 3.71 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 3.55 - 3 [ 0.19 .. 3.71]
1911-> PHE 51 HE* - LEU 115 HD2* [ 1.80 4.10] 0.00 0.00 0.00 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 - 1 [ 0.37 .. 0.37]
1912-> THR 114 HG2* - PHE 118 HE* [ 1.80 4.14] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.32 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.50 0.00 - 4 [ 0.24 .. 0.50]
1915-> PHE 51 HD* - LEU 58 HG [ 1.80 4.29] 0.00 0.00 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 0.47 - 2 [ 0.46 .. 0.47]
1917-> PHE 51 HD* - LEU 58 HD2* [ 1.80 4.17] 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 0.00 0.00 0.45 - 2 [ 0.35 .. 0.45]
1919-> PHE 51 HD* - LEU 115 HD2* [ 1.80 4.54] 0.00 0.00 0.29 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 - 2 [ 0.29 .. 0.48]
1923-> GLY 96 HN - TRP 120 HH2 [ 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 4.09 4.77 0.00 0.00 0.00 3.69 0.00 0.00 0.00 - 3 [ 3.69 .. 4.77]
1924-> GLY 96 HA3 - TRP 120 HH2 [ 1.80 4.52] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4.21 4.81 0.00 0.00 0.00 4.32 0.00 0.00 0.00 - 3 [ 4.21 .. 4.81]
1925-> GLY 96 HA2 - TRP 120 HH2 [ 1.80 4.40] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4.00 3.94 0.00 0.00 0.00 3.12 0.00 0.00 0.00 - 3 [ 3.12 .. 4.00]
1926-> VAL 111 HG1* - TRP 120 HH2 [ 1.80 5.87] 0.79 1.16 1.32 1.23 0.54 0.48 1.68 0.00 0.80 1.55 0.00 2.03 0.00 1.90 0.81 1.31 0.00 0.40 1.34 0.92 - 16 [ 0.40 .. 2.03]
1927-> ILE 99 HD1* - TRP 120 HH2 [ 1.80 4.21] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 1.36 .. 2.28]
1928-> ILE 95 HG2* - TRP 120 HH2 [ 1.80 4.47] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.40 0.00 0.00 0.00 0.75 0.00 0.00 0.00 - 4 [ 0.00 .. 2.82]
1929-> GLY 96 HA2 - TRP 120 HZ2 [ 1.80 4.89] 0.00 0.00 0.42 0.00 0.00 0.20 0.00 0.00 0.00 0.72 0.00 1.17 0.95 0.00 0.00 0.00 0.79 0.00 0.00 0.00 - 6 [ 0.20 .. 1.17]
1930-> ILE 99 HD1* - TRP 120 HZ2 [ 1.80 3.98] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.56 .. 1.21]
1931-> ILE 99 HG2* - TRP 120 HZ2 [ 1.80 4.69] 0.04 0.00 0.25 0.00 0.76 0.00 0.00 0.00 0.00 1.38 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.04 .. 1.86]
1932-> VAL 111 HG2* - TRP 120 HZ2 [ 1.80 5.13] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 1.67 0.62 1.79 1.23 0.31 0.00 0.00 0.00 1.22 0.00 0.00 - 7 [ 0.31 .. 1.79]
1933-> ASP 18 HB* - TRP 19 HD1 [ 1.80 5.27] 0.00 0.00 0.00 0.00 2.47 0.00 0.00 0.00 2.53 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.15 - 5 [ 1.65 .. 2.53]
1934-> TRP 19 HD1 - ILE 73 HD1* [ 1.80 4.20] 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 - 3 [ 0.89 .. 0.94]
1935-> ILE 54 HG2* - PHE 55 HD* [ 1.80 3.89] 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.00 0.08 0.51 0.00 0.93 - 5 [ 0.08 .. 1.06]
1936-> GLN 116 HA - TRP 120 HD1 [ 1.80 4.86] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.32 .. 1.26]
1937-> GLN 116 HA - TRP 120 HE3 [ 1.80 5.81] 0.00 0.87 0.65 0.35 0.29 0.31 0.58 0.54 0.28 0.00 0.47 0.00 0.00 0.43 0.61 0.26 0.00 0.84 0.42 0.39 - 15 [ 0.26 .. 0.87]
1939-> PHE 20 HE* - LEU 22 HD1* [ 1.80 5.58] 0.00 2.84 2.68 2.96 4.71 3.40 0.00 0.00 4.27 3.09 3.27 3.95 3.50 3.04 3.09 0.00 2.68 0.00 0.17 4.15 - 15 [ 0.17 .. 4.71]
1940-> ILE 54 HG12 - PHE 55 HE* [ 1.80 5.05] 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.04 0.08 0.00 1.78 - 5 [ 0.04 .. 1.82]
1943-> PHE 67 HD* - ILE 73 HD1* [ 1.80 4.80] 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 0.44 0.00 0.00 0.04 0.00 0.00 0.00 - 3 [ 0.03 .. 0.44]
1944-> GLY 96 HA2 - TRP 120 HZ3 [ 1.80 5.01] 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 4.42 4.55 0.00 0.00 0.00 4.16 0.00 0.00 0.00 - 4 [ 1.29 .. 4.55]
1946-> MET 10 HB* - PHE 67 HE* [ 1.80 5.19] 0.00 0.00 0.10 0.00 0.00 0.59 0.60 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 - 5 [ 0.10 .. 0.60]
1947-> TRP 19 HH2 - GLU 76 HG2 [ 1.80 6.05] 0.89 0.50 0.70 0.71 8.92 1.18 0.00 0.92 9.08 1.08 0.99 10.34 1.15 1.15 0.95 0.00 0.52 0.69 8.37 9.60 - 18 [ 0.50 .. 10.34]
1948-> LEU 32 HD2* - HIS 86 HE1 [ 1.80 4.85] 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]
1949-> LEU 61 HD2* - HIS 86 HE1 [ 1.80 4.59] 0.66 0.40 0.39 0.49 0.00 0.60 0.84 0.43 0.52 0.57 0.00 0.38 0.37 0.01 0.00 0.43 0.00 0.27 0.39 0.00 - 15 [ 0.01 .. 0.84]
1950-> PHE 51 HE* - LEU 115 HG [ 1.80 4.72] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.72 .. 0.72]
1951-> ILE 99 HB - TRP 120 HH2 [ 1.80 4.64] 0.00 0.00 0.03 0.00 1.37 0.00 0.00 0.00 0.00 0.29 0.00 4.85 3.76 0.00 0.00 0.00 2.13 0.00 0.00 0.00 - 6 [ 0.03 .. 4.85]
1953-> GLN 116 HG2 - TRP 120 HD1 [ 1.80 4.76] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.97 0.00 2.80 1.42 0.00 1.86 0.00 1.40 0.00 0.00 0.00 - 6 [ 0.97 .. 2.80]
1954-> TRP 19 HD1 - ILE 73 HB [ 1.80 3.96] 0.40 0.34 0.47 1.63 0.00 1.04 0.28 0.61 0.00 0.46 0.12 0.00 0.00 0.35 0.10 0.31 0.01 0.44 0.06 0.00 - 15 [ 0.01 .. 1.63]
1956-> PRO 2 HG* - ILE 54 HD1* [ 1.80 4.20] 0.61 0.00 0.00 0.00 0.00 1.85 0.00 0.05 2.80 0.00 0.00 0.00 3.31 0.00 0.00 0.00 3.11 1.30 0.15 0.00 - 8 [ 0.05 .. 3.31]
1957-> PRO 2 HD* - ILE 54 HD1* [ 1.80 5.25] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 3.13 0.00 0.00 0.00 0.45 0.00 0.00 0.00 - 3 [ 0.45 .. 3.13]
1961-> SER 4 HB* - ILE 54 HD1* [ 1.80 4.33] 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.10 2.60 0.00 0.71 0.22 0.57 0.00 1.18 1.11 0.00 0.00 - 8 [ 0.10 .. 2.60]
1965-> ARG 5 HD* - VAL 53 HG1* [ 1.80 5.18] 0.00 0.52 1.98 0.11 0.00 0.00 0.17 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.00 - 6 [ 0.11 .. 1.98]
1966-> ARG 5 HD* - VAL 53 HG2* [ 1.80 4.84] 0.10 1.32 0.34 0.73 0.00 0.00 0.79 0.41 2.21 0.37 0.21 0.00 0.00 0.00 0.00 0.66 1.18 0.00 0.15 0.36 - 13 [ 0.10 .. 2.21]
1968-> TYR 6 HE* - SER 52 HB* [ 1.80 3.87] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.23 .. 0.23]
1969-> TYR 6 HE* - ILE 62 HG1* [ 1.80 5.49] 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.01 0.00 0.00 1.06 - 4 [ 0.01 .. 1.06]
1973-> ILE 7 HG1* - PHE 118 HE* [ 1.80 4.20] 0.16 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.44 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.16 .. 0.44]
1974-> ILE 7 HG1* - PHE 118 HZ [ 1.80 4.20] 0.91 0.00 0.40 0.00 1.18 0.00 0.00 0.00 0.93 1.31 0.00 0.64 0.96 0.00 0.41 0.00 0.00 0.45 0.84 0.18 - 11 [ 0.18 .. 1.31]
1979-> MET 10 HE* - ASN 50 HB* [ 1.80 4.47] 0.00 0.23 1.21 0.00 0.78 0.17 1.70 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 - 6 [ 0.17 .. 1.84]
1981-> THR 11 HG2* - GLU 13 HG* [ 1.80 4.48] 1.49 1.18 1.36 0.82 1.03 1.59 1.12 0.70 1.07 1.17 1.31 1.22 1.10 1.67 1.18 0.54 0.58 1.25 1.92 1.66 - 20 [ 0.54 .. 1.92]
1982-> ILE 12 HN - ILE 12 HG1* [ 1.80 3.67] 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 0.44 0.00 0.00 0.00 0.00 - 2 [ 0.41 .. 0.44]
1985-> ILE 12 HG2* - SER 16 HB* [ 1.80 3.96] 0.83 0.00 0.36 0.00 0.11 0.00 0.00 1.48 0.00 0.00 0.37 0.00 0.00 0.00 0.52 0.58 0.00 0.00 0.12 0.00 - 8 [ 0.11 .. 1.48]
1988-> GLU 14 HN - GLU 14 HG* [ 1.80 3.56] 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 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.47 .. 0.47]
1990-> GLU 14 HB* - ARG 65 HB* [ 1.80 5.85] 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 0.00 0.00 0.00 0.00 - 1 [ 0.10 .. 0.10]
1991-> GLU 14 HG* - LEU 15 HN [ 1.80 4.20] 0.15 0.00 0.00 0.25 0.02 0.05 0.00 0.16 0.09 0.03 0.02 0.03 0.12 0.18 0.03 0.00 0.08 0.07 0.00 0.00 - 14 [ 0.02 .. 0.25]
1992-> GLU 14 HG* - ARG 65 HE [ 1.80 5.87] 0.78 2.60 0.69 2.76 0.69 1.31 1.66 0.32 2.44 3.06 0.88 1.18 1.28 1.19 0.81 3.51 2.37 2.83 0.00 1.74 - 19 [ 0.32 .. 3.51]
1995-> LEU 15 HD1* - LEU 63 HB* [ 1.80 4.65] 1.52 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 - 5 [ 0.03 .. 1.52]
2005-> ARG 17 HB* - TRP 19 HE1 [ 1.80 5.37] 2.06 2.36 1.35 0.47 2.58 1.45 0.00 1.90 3.20 2.07 1.95 3.17 1.51 1.66 1.42 0.00 1.50 2.26 4.73 1.52 - 18 [ 0.47 .. 4.73]
2006-> ARG 17 HB* - ILE 73 HD1* [ 1.80 3.93] 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.26 .. 0.26]
2008-> ARG 17 HG* - TRP 19 HE1 [ 1.80 5.67] 1.47 1.92 1.61 0.25 2.56 0.77 0.00 1.40 1.59 1.11 1.39 2.20 1.31 1.04 1.17 0.00 1.29 1.37 3.02 1.47 - 18 [ 0.25 .. 3.02]
2009-> ARG 17 HD* - ILE 73 HD1* [ 1.80 4.16] 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 0.00 0.33 - 1 [ 0.33 .. 0.33]
2012-> TRP 19 HE1 - GLU 76 HB* [ 1.80 5.87] 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 1.46 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 2.39 1.53 - 5 [ 1.38 .. 2.51]
2013-> TRP 19 HZ3 - MET 21 HG* [ 1.80 5.57] 0.00 0.00 0.00 0.00 2.66 0.00 0.00 0.00 2.37 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.10 - 5 [ 2.10 .. 2.96]
2014-> TRP 19 HZ2 - GLU 76 HB* [ 1.80 4.41] 0.00 0.00 0.00 0.00 5.05 0.00 0.00 0.00 5.20 0.00 0.00 6.28 0.00 0.00 0.00 0.00 0.00 0.00 5.50 5.01 - 5 [ 5.01 .. 6.28]
2016-> PHE 20 HE* - LEU 22 HD* [ 1.80 4.66] 0.00 2.01 1.92 2.12 3.39 2.41 0.00 0.00 3.03 2.19 2.33 2.73 2.53 2.13 2.19 0.00 1.92 0.00 0.00 2.84 - 14 [ 1.92 .. 3.39]
2019-> MET 21 HE* - PRO 24 HB* [ 1.80 4.20] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 - 1 [ 0.15 .. 0.15]
2020-> MET 21 HE* - PRO 24 HD* [ 1.80 5.06] 0.00 0.00 0.00 0.00 0.59 0.00 0.44 0.00 0.63 0.00 0.00 0.61 0.00 0.00 0.00 0.61 0.00 0.00 0.82 0.61 - 7 [ 0.44 .. 0.82]
2025-> LEU 22 HB* - MET 23 HG2 [ 1.80 4.63] 0.00 0.00 0.00 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 0.00 0.00 0.00 0.00 - 1 [ 1.37 .. 1.37]
2028-> LEU 22 HD* - MET 23 HE* [ 1.80 4.25] 1.97 1.93 1.79 1.95 1.60 1.87 0.89 1.90 1.74 1.91 1.83 1.68 1.97 1.93 1.94 1.75 1.84 0.30 1.75 1.70 - 20 [ 0.30 .. 1.97]
2032-> MET 23 HB2 - ASP 37 HB* [ 1.80 5.42] 0.06 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 0.00 0.00 0.00 - 2 [ 0.06 .. 0.61]
2033-> MET 23 HB3 - ASP 37 HB* [ 1.80 5.87] 0.85 0.31 0.35 0.35 0.23 0.45 0.00 0.47 0.30 0.30 0.43 0.10 0.36 0.41 0.51 0.22 0.43 0.38 0.30 0.25 - 19 [ 0.10 .. 0.85]
2043-> GLN 26 HG* - VAL 28 HG2* [ 1.80 4.97] 0.00 0.63 0.49 0.00 0.00 0.87 0.00 0.00 0.00 0.73 0.99 0.00 0.00 0.79 0.00 0.00 0.00 0.88 0.00 0.00 - 7 [ 0.49 .. 0.99]
2044-> GLN 26 HE2* - VAL 28 HG1* [ 1.80 5.17] 0.31 3.61 3.29 0.02 0.46 3.96 0.65 0.64 0.29 3.64 4.13 0.00 0.00 3.76 0.56 0.00 0.14 3.58 0.02 0.00 - 16 [ 0.02 .. 4.13]
2045-> GLN 26 HE2* - VAL 28 HG2* [ 1.80 4.03] 0.00 2.64 2.32 0.00 0.00 2.95 0.00 0.00 0.00 2.67 3.10 0.00 0.00 2.80 0.00 0.00 0.00 2.43 0.00 0.00 - 7 [ 2.32 .. 3.10]
2053-> LYS 27 HG* - VAL 28 HN [ 1.80 4.29] 0.00 0.00 0.31 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.15 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.06 - 5 [ 0.02 .. 0.31]
2054-> LYS 27 HG* - GLU 29 HB2 [ 1.80 4.69] 0.00 0.00 1.82 0.00 2.05 1.56 1.94 1.68 2.06 0.00 1.68 0.00 1.70 1.79 1.79 1.94 1.83 0.01 1.96 2.68 - 15 [ 0.01 .. 2.68]
2055-> LYS 27 HG* - GLU 29 HB3 [ 1.80 5.39] 0.00 0.00 2.40 0.00 2.52 2.12 2.39 2.28 2.57 0.00 2.22 0.00 2.18 2.35 2.32 2.45 2.32 0.00 2.42 2.55 - 14 [ 2.12 .. 2.57]
2056-> LYS 27 HG* - ILE 34 HB [ 1.80 4.46] 0.00 0.00 0.25 0.00 0.65 0.00 0.00 0.42 0.49 0.00 0.00 0.00 0.01 0.29 0.33 0.43 0.17 0.00 0.09 0.44 - 11 [ 0.01 .. 0.65]
2058-> LYS 27 HG* - VAL 97 HB [ 1.80 5.87] 0.00 0.00 0.14 0.00 1.08 0.00 1.45 0.67 0.93 0.00 0.37 0.00 0.44 0.64 0.88 1.01 0.69 0.02 0.84 1.54 - 14 [ 0.02 .. 1.54]
2059-> LYS 27 HG* - VAL 97 HG1* [ 1.80 4.07] 0.00 0.00 0.00 0.00 0.10 0.00 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 0.58 - 4 [ 0.00 .. 0.58]
2060-> LYS 27 HG* - VAL 97 HG2* [ 1.80 5.01] 0.00 0.00 0.00 0.00 0.64 0.00 1.24 0.26 0.53 0.00 0.11 0.00 0.28 0.25 0.55 0.66 0.36 0.00 0.68 1.43 - 12 [ 0.11 .. 1.43]
2062-> LYS 27 HD* - VAL 97 HG1* [ 1.80 3.51] 0.00 0.00 0.68 0.00 0.00 0.83 0.00 0.00 0.00 0.00 1.15 0.46 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 - 5 [ 0.46 .. 1.53]
2063-> GLU 29 HG* - ASN 93 HD2* [ 1.80 4.93] 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 2.35 0.00 2.11 - 2 [ 2.11 .. 2.35]
2083-> CYS 33 HB* - LEU 80 HG [ 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 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.14 .. 0.14]
2084-> CYS 33 HB* - LEU 80 HD2* [ 1.80 3.71] 0.00 0.00 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 0.00 0.00 0.00 - 1 [ 0.64 .. 0.64]
2094-> ARG 35 HG* - GLU 76 HG2 [ 1.80 5.87] 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 [ 0.20 .. 0.20]
2099-> ILE 36 HG2* - ASN 105 HD2* [ 1.80 4.38] 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 0.18 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.18 .. 0.35]
2114-> ILE 40 HG1* - VAL 74 HB [ 1.80 4.49] 0.53 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.23 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.23 .. 1.71]
2116-> ILE 40 HG1* - VAL 74 HG2* [ 1.80 4.59] 1.13 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.88 .. 1.15]
2119-> MET 41 HB2 - ASP 42 HB* [ 1.80 5.12] 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 0.32 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.32 .. 0.37]
2129-> ASN 44 HB* - GLU 69 HG* [ 1.80 3.72] 0.00 0.00 0.00 0.00 0.06 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 - 4 [ 0.00 .. 0.58]
2130-> ASN 44 HD21 - GLU 69 HG* [ 1.80 4.63] 0.75 0.00 0.00 0.17 0.60 0.63 0.03 0.73 0.48 0.00 1.01 0.35 0.00 0.00 0.00 0.09 0.23 0.00 0.53 0.83 - 13 [ 0.03 .. 1.01]
2131-> ASN 44 HD22 - GLU 69 HG* [ 1.80 5.80] 0.61 0.00 0.00 0.02 0.75 0.48 0.00 0.55 0.59 0.00 0.87 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.68 - 10 [ 0.02 .. 0.87]
2136-> MET 46 HB* - LYS 48 HE* [ 1.80 4.52] 0.00 0.00 1.36 0.00 1.36 0.00 1.69 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 1.25 .. 1.69]
2138-> MET 46 HG* - LYS 48 HD* [ 1.80 4.71] 0.00 0.00 0.00 0.76 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 0.00 0.00 - 2 [ 0.15 .. 0.76]
2139-> MET 46 HG* - LYS 48 HE* [ 1.80 4.51] 0.00 0.00 0.12 0.00 0.57 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 0.00 - 3 [ 0.12 .. 0.57]
2154-> LYS 48 HE* - PHE 67 HZ [ 1.80 5.05] 1.76 0.00 0.00 2.39 0.00 0.00 0.00 1.17 1.46 0.00 0.41 0.00 1.60 0.00 1.26 1.62 0.00 0.00 1.74 1.06 - 10 [ 0.41 .. 2.39]
2167-> PHE 51 HE* - PHE 118 HB* [ 1.80 4.27] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.18 .. 0.18]
2169-> ILE 54 HN - ARG 57 HG* [ 1.80 4.52] 0.89 0.78 0.64 0.74 0.00 1.15 0.76 0.00 0.94 0.00 0.70 0.00 0.85 1.04 1.05 1.05 0.00 1.09 0.93 0.85 - 15 [ 0.64 .. 1.15]
2173-> ILE 54 HB - GLU 59 HG* [ 1.80 4.91] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 0.00 0.25 0.00 0.00 0.00 - 2 [ 0.18 .. 0.25]
2174-> ILE 54 HG2* - PHE 55 HB* [ 1.80 4.41] 0.00 0.00 0.00 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 0.67 0.78 0.00 0.00 - 3 [ 0.67 .. 0.78]
2192-> ARG 57 HD* - ILE 88 HG2* [ 1.80 4.88] 0.00 0.00 0.00 0.56 0.00 0.00 0.68 0.00 0.94 0.00 0.71 0.00 0.00 0.36 0.24 0.00 0.00 0.00 0.00 0.00 - 6 [ 0.24 .. 0.94]
2193-> ARG 57 HD* - ILE 88 HD1* [ 1.80 3.94] 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 0.00 0.00 0.00 0.00 0.00 0.00 0.12 - 1 [ 0.12 .. 0.12]
2196-> LEU 58 HB* - ILE 88 HG1* [ 1.80 4.31] 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 0.00 0.57 - 2 [ 0.56 .. 0.57]
2197-> LEU 58 HB* - ILE 88 HD1* [ 1.80 3.60] 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 - 2 [ 0.82 .. 0.92]
2199-> LEU 58 HD2* - ILE 88 HG1* [ 1.80 3.76] 1.44 0.00 0.00 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 0.95 - 3 [ 0.43 .. 1.44]
2213-> LEU 63 HD1* - PRO 79 HD* [ 1.80 4.48] 1.22 0.39 0.00 0.00 0.00 0.56 0.67 0.00 0.00 0.00 0.00 1.68 0.21 0.62 0.00 1.38 0.00 0.00 0.00 0.00 - 8 [ 0.21 .. 1.68]
2228-> PHE 67 HE* - ILE 73 HG1* [ 1.80 5.87] 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 1.07 .. 1.40]
2229-> THR 68 HA - GLU 69 HG* [ 1.80 5.87] 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.00 0.12 0.09 0.00 0.00 0.00 - 4 [ 0.03 .. 0.16]
2231-> GLU 69 HN - GLU 69 HG* [ 1.80 3.85] 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.11 0.11 0.00 0.00 0.00 - 4 [ 0.10 .. 0.12]
2252-> PRO 79 HB* - HIS 86 HE1 [ 1.80 4.21] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.55 .. 0.55]
2253-> PRO 79 HG* - HIS 86 HE1 [ 1.80 4.14] 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 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.23 .. 0.23]
2258-> LEU 80 HB* - PHE 83 HD* [ 1.80 3.87] 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 0.26 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.26 .. 0.26]
2268-> ILE 88 HG1* - ALA 119 HB* [ 1.80 4.02] 1.37 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 - 5 [ 0.17 .. 2.75]
2269-> GLU 89 HN - GLU 89 HG* [ 1.80 3.78] 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 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 [ 0.20 .. 0.20]
2270-> GLU 89 HA - LYS 92 HD* [ 1.80 4.47] 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 - 3 [ 0.10 .. 0.23]
2271-> GLU 89 HB2 - ASP 90 HB* [ 1.80 5.29] 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.61 .. 0.61]
2282-> LYS 92 HB* - ASN 93 HD2* [ 1.80 5.58] 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.31 0.00 0.00 - 4 [ 0.31 .. 0.45]
2286-> LYS 92 HG* - ALA 119 HB* [ 1.80 4.42] 0.27 0.00 1.06 0.00 0.00 0.16 0.00 0.00 0.00 1.30 0.00 1.22 0.00 0.00 0.24 0.00 0.00 0.36 0.00 0.59 - 8 [ 0.16 .. 1.30]
2307-> LEU 102 HD2* - ASN 107 HB* [ 1.80 4.46] 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.16 .. 0.42]
2319-> ARG 104 HG* - ASN 105 HA [ 1.80 5.87] 0.09 0.04 0.05 0.04 0.06 0.06 0.09 0.05 0.05 0.09 0.06 0.07 0.08 0.06 0.07 0.06 0.04 0.11 0.07 0.08 - 20 [ 0.04 .. 0.11]
2329-> LYS 113 HN - LYS 113 HG* [ 1.80 3.86] 0.15 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.13 0.00 0.13 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.12 .. 0.15]
2333-> LYS 113 HB* - THR 114 HG2* [ 1.80 4.77] 0.00 0.53 0.51 0.00 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 0.61 0.00 0.00 - 4 [ 0.51 .. 0.61]
2338-> THR 114 HA - ARG 117 HD* [ 1.80 5.13] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.23 0.55 0.00 1.43 0.35 0.00 0.00 0.05 0.00 - 6 [ 0.05 .. 1.43]
2339-> LEU 115 HD2* - PHE 118 HB* [ 1.80 5.18] 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.52 .. 0.79]
2352-> ARG 117 HG* - PHE 118 HA [ 1.80 4.84] 0.00 1.13 0.00 1.08 1.00 1.14 1.08 1.11 1.04 1.12 1.03 1.05 1.03 0.00 0.89 1.02 0.00 1.11 0.00 0.00 - 14 [ 0.89 .. 1.14]
2353-> ARG 117 HD* - PHE 118 HN [ 1.80 4.89] 0.00 0.67 0.08 0.53 0.80 0.74 0.56 0.63 0.62 0.71 0.42 0.43 0.63 0.02 0.14 0.55 0.21 0.31 0.00 0.00 - 17 [ 0.02 .. 0.80]
2354-> ARG 117 HD* - PHE 118 HA [ 1.80 4.06] 1.13 2.52 1.56 2.35 2.52 2.51 2.36 2.46 2.24 2.47 2.19 2.21 2.21 1.43 1.80 2.33 1.56 2.39 0.77 0.65 - 20 [ 0.65 .. 2.52]
2367-> ARG 128 HB* - PRO 129 HD* [ 1.80 3.53] 0.00 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 0.00 0.00 0.00 0.13 0.00 0.00 - 2 [ 0.13 .. 0.34]
-------------------------------------------
Number of Violations greater than 0.10 149 149 186 110 180 176 151 122 157 145 153 183 179 156 156 139 158 149 133 174
-------------------------------------------
---- 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: 16 19 21 14 16 27 14 15 13 16 15 19 29 13 23 22 25 16 21 12 18.30
0.2 - 0.5 ang: 43 43 50 33 41 40 36 35 47 41 36 34 40 42 34 33 40 39 32 42 39.05
> 0.5 ang: 90 87 115 63 123 109 101 72 97 88 102 130 110 101 99 84 93 94 80 120 97.90
Total : 168 173 213 126 197 196 166 146 179 177 176 203 196 177 177 160 188 176 153 192 176.95
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 : 3.448 3.615 3.933 3.023 8.922 3.958 4.331 3.815 9.076 3.643 4.128 10.341 5.795 4.912 3.892 3.508 5.462 3.577 8.366 9.602 10.341
Max Intra Viol : 1.087 0.838 0.826 0.881 0.932 1.400 0.885 0.877 0.896 0.854 0.903 0.912 0.955 0.822 0.879 0.907 0.913 0.870 0.930 1.110 1.400
Max Seque Viol : 3.116 2.997 3.933 3.023 2.934 2.993 4.331 3.106 2.985 2.991 2.985 3.004 3.413 3.041 3.053 2.910 2.949 2.580 2.881 3.813 4.331
Max Medium Viol : 2.056 3.615 3.291 2.963 4.708 3.958 2.389 2.278 4.273 3.643 4.128 4.820 3.499 3.764 3.090 2.445 2.679 3.577 4.728 4.611 4.820
Max Long Viol : 3.448 2.599 3.397 2.756 8.922 2.964 3.881 3.815 9.076 3.055 3.173 10.341 5.795 4.912 3.892 3.508 5.462 2.833 8.366 9.602 10.341
Average Violation : 0.054 0.057 0.075 0.039 0.079 0.068 0.061 0.047 0.072 0.057 0.069 0.106 0.085 0.069 0.061 0.054 0.068 0.058 0.056 0.087 0.06603
Avge Intra Viol : 0.005 0.007 0.009 0.005 0.009 0.008 0.006 0.006 0.005 0.007 0.007 0.008 0.008 0.005 0.007 0.007 0.006 0.008 0.008 0.006 0.00678
Avge Seque Viol : 0.024 0.053 0.069 0.025 0.065 0.064 0.022 0.033 0.067 0.055 0.073 0.060 0.036 0.063 0.048 0.028 0.036 0.042 0.052 0.055 0.04854
Avge Mediu Viol : 0.101 0.113 0.176 0.083 0.128 0.106 0.120 0.086 0.118 0.110 0.091 0.124 0.147 0.091 0.099 0.086 0.096 0.118 0.092 0.178 0.11318
Avge Long Viol : 0.110 0.086 0.104 0.066 0.141 0.115 0.125 0.085 0.125 0.089 0.116 0.234 0.179 0.129 0.111 0.109 0.145 0.096 0.091 0.156 0.12046
RMS Violation : 0.274 0.294 0.346 0.230 0.410 0.323 0.309 0.268 0.406 0.298 0.346 0.538 0.434 0.352 0.307 0.288 0.367 0.289 0.361 0.441 0.35141
RMS Intra : 0.058 0.059 0.064 0.056 0.071 0.077 0.049 0.050 0.053 0.059 0.067 0.068 0.066 0.044 0.058 0.061 0.051 0.066 0.069 0.064 0.06102
RMS Sequential : 0.172 0.336 0.339 0.195 0.402 0.379 0.172 0.219 0.396 0.331 0.397 0.392 0.255 0.360 0.267 0.194 0.237 0.284 0.343 0.370 0.31237
RMS Medium range : 0.399 0.434 0.598 0.351 0.451 0.400 0.470 0.365 0.440 0.406 0.370 0.445 0.494 0.350 0.396 0.342 0.371 0.413 0.379 0.602 0.42968
RMS Long range : 0.390 0.322 0.375 0.293 0.567 0.382 0.441 0.368 0.565 0.352 0.440 0.852 0.674 0.490 0.423 0.431 0.577 0.358 0.510 0.604 0.48918
Final --global-- Summary for 20 models, 2377 NOEs/model, 47540 NOEs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ of viol : 3138.838
Summ sq. viol : 5870.568
Maximum viol : 10.341
Average viol : 0.06603
RMSD viol : 0.35141
Std. Dev. viol : 0.34515
RMS Intra : 0.06102
RMS Seque : 0.31237
RMS Medi : 0.42968
RMS Long : 0.48918
table of dihedral angle constraints violations
1-> [ARG A 5] PHI -156.2 -96.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 8.7 14.0 0.0 3.7 0.0 0.0 0.0 7.1 0.0 - 4 [ 0.0 .. 14.0]
3-> [TYR A 6] PHI -123.0 -63.0 0.0 0.0 0.0 7.5 7.0 13.4 9.7 0.0 0.0 21.3 8.3 3.5 0.0 11.5 3.2 9.4 7.0 6.9 0.0 2.4 - 13 [ 0.0 .. 21.3]
10-> [MET A 10] PHI -151.7 -91.7 0.0 4.3 0.0 6.2 0.0 9.7 0.0 0.0 10.9 0.0 11.7 0.0 0.0 0.0 0.0 0.0 17.7 0.0 6.7 0.0 - 7 [ 0.0 .. 17.7]
11-> [MET A 10] PSI 125.2 -174.8 0.0 0.0 0.0 0.0 0.0 33.9 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 - 1 [ 0.0 .. 33.9]
18-> [GLU A 14] PHI -95.4 -35.4 0.0 0.0 0.0 1.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.2 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.2]
19-> [GLU A 14] PSI -70.4 -10.4 0.0 0.0 0.0 1.3 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 .. 1.3]
23-> [SER A 16] PSI -41.0 19.0 0.0 0.0 0.0 0.0 15.0 0.0 0.0 0.0 0.0 0.0 0.0 13.7 0.0 0.0 15.1 14.0 0.0 0.0 0.0 1.1 - 5 [ 0.0 .. 15.1]
24-> [ARG A 17] PHI -117.0 -57.0 7.8 7.4 6.6 7.0 0.0 0.0 8.6 7.2 5.3 0.0 0.0 0.0 6.1 7.0 0.0 0.0 0.0 0.0 0.0 0.0 - 9 [ 0.0 .. 8.6]
25-> [ARG A 17] PSI 109.4 169.4 0.0 0.0 0.0 0.0 0.0 1.0 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 .. 1.0]
28-> [PHE A 20] PHI -148.9 -89.0 0.0 0.0 0.0 0.0 0.0 0.0 5.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6.0 0.0 0.0 4.4 0.0 - 3 [ 0.0 .. 6.0]
29-> [PHE A 20] PSI 104.4 164.4 0.0 0.0 0.0 0.0 0.0 0.0 3.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.8 0.0 1.4 0.0 0.0 - 3 [ 0.0 .. 4.8]
31-> [MET A 21] PSI 90.9 150.9 0.0 0.0 0.0 0.0 13.5 0.0 2.0 0.0 3.2 0.0 0.0 3.9 0.0 0.0 0.0 1.3 0.0 0.0 4.1 0.5 - 7 [ 0.0 .. 13.5]
33-> [PRO A 24] PSI 114.1 174.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.2 0.0 0.0 0.0 0.0 0.0 0.0 1.3 0.0 - 2 [ 0.0 .. 1.3]
34-> [LYS A 25] PHI -134.6 -74.6 0.0 1.4 7.8 0.0 0.0 0.0 0.0 5.9 0.0 0.4 0.0 0.0 5.4 0.0 5.4 0.0 0.0 0.0 0.0 0.0 - 6 [ 0.0 .. 7.8]
37-> [GLN A 26] PSI 101.1 161.1 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 16.1 0.0 0.0 - 1 [ 0.0 .. 16.1]
39-> [LYS A 27] PSI 100.3 160.3 0.0 0.0 0.0 0.0 0.0 0.0 1.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.6]
40-> [VAL A 28] PHI -138.1 -78.1 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 3.2 - 1 [ 0.0 .. 3.2]
43-> [GLU A 29] PSI 84.8 144.8 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 9.7 0.0 11.1 - 2 [ 0.0 .. 11.1]
50-> [ARG A 35] PHI -154.6 -94.6 0.0 2.7 0.0 0.0 0.0 4.8 0.0 0.0 0.0 4.4 2.4 3.1 4.7 0.0 0.0 0.0 0.0 4.1 4.7 0.0 - 8 [ 0.0 .. 4.8]
51-> [ARG A 35] PSI 121.6 -178.4 0.0 0.0 1.8 4.1 0.0 0.0 2.3 0.0 0.0 0.0 0.0 0.0 0.0 2.8 0.0 0.0 0.6 0.0 0.0 0.0 - 5 [ 0.0 .. 4.1]
53-> [ILE A 36] PSI 123.5 -176.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.8 0.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 4.8]
58-> [ILE A 40] PHI -131.4 -71.4 0.0 0.0 0.0 0.0 0.0 0.0 7.1 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 .. 7.1]
60-> [MET A 41] PHI -143.4 -83.4 1.2 0.6 0.0 0.0 0.0 0.0 0.0 1.5 5.7 0.0 2.8 2.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.1 - 7 [ 0.0 .. 5.7]
61-> [MET A 41] PSI 143.3 -156.7 0.0 3.4 3.4 0.0 0.0 0.0 0.0 0.0 5.6 0.0 0.0 0.0 0.0 0.0 8.3 0.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 8.3]
73-> [LYS A 48] PSI 125.8 -174.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 4.3]
80-> [SER A 52] PHI -146.7 -86.7 0.0 0.4 0.0 0.0 4.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.7 1.6 0.0 2.2 0.0 0.0 - 5 [ 0.0 .. 4.3]
82-> [VAL A 53] PHI -165.6 -105.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.8]
86-> [ARG A 57] PHI -158.6 -98.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.4]
90-> [THR A 60] PHI -164.9 -104.9 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 1.5 - 1 [ 0.0 .. 1.5]
91-> [THR A 60] PSI 123.1 -176.9 0.0 0.0 2.2 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 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.2]
104-> [PHE A 67] PHI -148.0 -88.0 0.0 0.4 2.3 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 - 2 [ 0.0 .. 2.3]
113-> [GLY A 71] PSI -33.2 26.8 13.7 0.0 0.0 5.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 11.5 0.0 7.3 6.6 0.0 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 13.7]
114-> [ALA A 72] PHI -112.0 -52.0 3.6 0.0 0.0 2.4 0.0 0.0 0.0 0.0 0.0 0.0 3.6 0.0 0.0 0.5 1.1 0.0 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 3.6]
127-> [PHE A 83] PHI -132.1 -72.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6.9 2.1 0.0 0.0 - 3 [ 0.0 .. 6.9]
128-> [PHE A 83] PSI 70.9 130.9 4.6 10.8 0.0 10.1 0.0 7.5 7.6 4.7 12.2 0.0 0.0 10.3 0.0 0.0 8.5 11.8 5.1 12.3 8.9 0.0 - 13 [ 0.0 .. 12.3]
129-> [HIS A 86] PHI -149.3 -89.3 5.1 5.5 22.8 12.6 15.9 5.9 9.3 17.8 11.8 0.0 15.0 21.3 26.0 23.9 15.7 0.0 0.0 21.3 0.0 0.0 - 15 [ 0.0 .. 26.0]
130-> [HIS A 86] PSI 127.8 -172.2 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 0.0 0.0 0.0 0.0 0.0 0.0 48.0 - 1 [ 0.0 .. 48.0]
131-> [THR A 87] PHI -126.2 -66.2 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 7.6 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 7.6]
136-> [GLU A 89] PSI -73.0 -13.0 0.0 0.0 0.0 0.0 8.3 0.0 0.0 0.3 0.0 0.0 0.6 0.0 0.0 0.0 0.0 7.1 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 8.3]
137-> [ASP A 90] PHI -95.4 -35.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.9 0.0 0.0 0.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 4.9]
161-> [LEU A 102] PHI -95.0 -35.0 0.0 0.0 0.0 0.0 0.0 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 - 1 [ 0.0 .. 4.0]
168-> [ASP A 106] PSI 5.4 65.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.5 0.0 0.0 0.0 - 2 [ 0.0 .. 1.8]
170-> [THR A 108] PSI 103.0 163.0 0.0 0.0 0.0 4.2 0.0 12.4 2.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.1 0.0 0.0 10.9 0.0 0.0 - 5 [ 0.0 .. 12.4]
174-> [ARG A 110] PSI 126.3 -173.7 0.0 0.0 0.0 0.0 0.0 1.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.4 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 4.4]
175-> [VAL A 111] PHI -143.8 -83.8 0.0 0.0 0.0 0.0 0.0 1.7 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 .. 1.7]
177-> [SER A 112] PHI -103.8 -43.8 0.0 0.0 0.0 0.0 3.8 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 .. 3.8]
187-> [ARG A 117] PHI -100.5 -40.5 0.0 0.3 0.0 0.0 0.0 0.0 0.0 7.5 0.0 0.0 0.0 19.6 0.0 0.0 9.5 6.2 5.9 5.3 0.0 0.0 - 7 [ 0.0 .. 19.6]
188-> [ARG A 117] PSI -71.2 -11.2 0.0 6.8 0.0 0.0 0.0 12.0 0.0 3.3 1.2 8.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 12.0]
189-> [PHE A 118] PHI -109.0 -49.0 0.0 16.1 0.7 1.0 13.3 16.1 1.0 11.0 0.0 15.9 0.0 0.0 0.0 0.0 0.0 0.0 6.7 0.0 1.0 0.0 - 10 [ 0.0 .. 16.1]
190-> [PHE A 118] PSI -65.3 -5.3 0.0 19.7 4.0 5.8 0.0 19.6 0.0 0.0 9.6 0.0 0.0 0.0 0.0 9.6 0.0 0.0 0.0 27.3 4.0 0.0 - 8 [ 0.0 .. 27.3]
191-> [ALA A 119] PHI -120.3 -60.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 14.7 0.0 0.0 0.0 0.0 14.7 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 14.7]
192-> [ALA A 119] PSI -60.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.2 4.0 0.0 0.0 11.4 0.0 0.0 1.5 0.0 5.1 0.0 2.0 2.1 7.0 - 8 [ 0.0 .. 11.4]
194-> [ILE A 45] CHI21 160.0 -160.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 101.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 101.7]
195-> [ARG A 65] CHI2 160.0 -160.0 0.0 79.0 0.0 0.0 0.0 89.1 70.0 0.0 0.0 84.4 0.0 0.0 0.0 0.0 0.0 68.8 0.0 81.3 0.0 0.0 - 6 [ 0.0 .. 89.1]
197-> [LYS A 92] CHI2 160.0 -160.0 0.0 0.0 0.0 0.0 0.0 60.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 60.6]
200-> [LEU A 115] CHI1 -80.0 -40.0 0.0 0.0 13.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 95.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 95.9]
201-> [LEU A 115] CHI2 160.0 -160.0 0.0 0.0 104.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 101.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 104.5]
202-> [TRP A 120] CHI1 160.0 -160.0 0.0 0.0 0.0 0.0 91.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 94.0 0.0 0.0 0.0 - 2 [ 0.0 .. 94.0]
203-> [TRP A 120] CHI2 -110.0 -70.0 0.0 13.7 0.0 0.5 142.3 6.4 0.0 0.0 8.4 0.0 6.5 157.9 148.0 4.1 3.2 11.7 75.5 1.1 11.0 14.3 - 15 [ 0.0 .. 157.9]
---- 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 : 5 7 7 10 4 9 12 8 8 2 7 8 3 8 11 8 5 9 9 6 7.30
> 10. degrees : 1 5 3 2 6 8 1 2 3 4 6 6 3 2 2 5 3 6 1 3 3.60
Total : 6 16 11 14 10 17 15 12 12 7 15 14 7 11 14 14 10 17 11 10 12.15
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 : 13.7 79.0 104.5 12.6 142.3 89.1 70.0 17.8 12.2 101.7 101.5 157.9 148.0 23.9 15.7 68.8 94.0 81.3 11.0 48.0 157.91
Max PHI Viol : 7.8 16.1 22.8 12.6 15.9 16.1 9.7 17.8 11.8 21.3 15.0 21.3 26.0 23.9 15.7 14.7 17.7 21.3 7.1 3.2 25.98
Max PSI Viol : 13.7 19.7 4.0 10.1 15.0 33.9 7.6 4.7 12.2 8.0 11.4 13.7 0.9 9.6 15.1 14.0 5.1 27.3 8.9 48.0 47.95
Max CHI1 Viol : 0.0 0.0 13.4 0.0 91.9 0.0 0.0 0.0 0.0 0.0 95.9 0.0 0.0 0.0 0.0 0.0 94.0 0.0 0.0 0.0 95.93
Max CHI2 Viol : 0.0 79.0 104.5 0.5 142.3 89.1 70.0 0.0 8.4 84.4 101.5 157.9 148.0 4.1 3.2 68.8 75.5 81.3 11.0 14.3 157.91
Average Violation : 0.2 0.8 0.8 0.3 1.6 1.5 0.7 0.3 0.4 1.2 1.4 1.3 1.0 0.4 0.4 0.8 1.1 1.0 0.3 0.4 0.795
Avge PHI Viol : 0.430 0.638 0.647 0.628 0.680 0.761 0.656 0.762 0.596 0.661 0.802 0.798 0.765 0.725 0.659 0.629 0.679 0.662 0.498 0.293 0.660
Avge PSI Viol : 0.436 0.652 0.346 0.568 0.618 0.958 0.465 0.372 0.593 0.289 0.412 0.688 0.096 0.517 0.658 0.677 0.254 0.916 0.460 0.840 0.582
Avge CHI1 Viol : 0.000 0.000 1.827 0.000 4.792 0.000 0.000 0.000 0.000 0.000 4.897 0.000 0.000 0.000 0.000 0.000 4.848 0.000 0.000 0.000 1.921
Avge CHI2 Viol : 0.000 3.929 4.174 0.275 4.869 5.100 3.416 0.000 1.185 3.750 4.244 5.130 4.967 0.828 0.730 3.663 3.546 3.706 1.355 1.546 3.346
RMS Violation : 1.235 6.021 7.615 1.588 12.088 8.350 5.123 1.796 1.829 9.482 10.020 11.393 10.613 2.222 2.023 5.291 8.610 6.485 1.361 3.645 6.885
RMS PHI Viol : 1.029 1.969 2.564 1.797 2.313 2.521 1.876 2.510 1.825 2.745 2.662 3.141 3.161 2.904 2.036 1.992 2.259 2.406 1.195 0.450 2.271
RMS PSI Viol : 1.472 2.427 0.614 1.449 2.222 4.443 0.964 0.723 1.732 0.820 1.244 2.207 0.090 1.351 2.098 2.133 0.526 3.787 1.108 5.075 2.226
RMS CHI1 Viol : 0.000 0.000 6.677 0.000 45.931 0.000 0.000 0.000 0.000 0.000 47.963 0.000 0.000 0.000 0.000 0.000 47.009 0.000 0.000 0.000 18.254
RMS CHI2 Viol : 0.000 32.714 42.674 0.185 58.076 44.061 28.577 0.000 3.439 34.445 41.536 64.467 60.423 1.681 1.304 28.477 30.805 33.176 4.497 5.854 33.669
Final --global-- Summary for 20 models, 203 ACOs/model, 4060 ACOs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ. Viol. : 3227.20
Summ. Sq. Viol. : 192456.08
Max. Viol. : 157.911
Avg. Viol. : 0.79488
RMS Viol. : 6.88498
Std. Dev. Viol. : 6.83894
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 0.842 0.814 0.462 0.429
PRO A 2 0.995 0.680 0.911 0.821
ALA A 3 0.703 0.811
SER A 4 0.912 0.952 0.853 4 4
ARG A 5 0.935 0.972 0.691 0.575 0.660 0.625 1.000 5 5
TYR A 6 0.971 0.987 0.869 0.871 6 6
ILE A 7 0.976 0.987 0.999 0.707 7 7
THR A 8 0.999 0.966 0.609 8 8
ASP A 9 0.985 0.984 0.693 0.769 9 9
MET A 10 0.978 0.960 0.701 0.995 0.477 10 10
THR A 11 0.993 0.998 0.999 11 11
ILE A 12 0.998 0.997 0.890 0.877 12 12
GLU A 13 0.995 0.991 0.758 0.999 0.979 13 13
GLU A 14 0.978 0.988 0.756 0.475 0.916 14 14
LEU A 15 0.989 0.992 0.769 0.764 15 15
SER A 16 0.981 0.945 0.632 16 16
ARG A 17 0.984 0.979 0.995 0.999 0.496 0.676 1.000 17 17
ASP A 18 0.979 0.875 0.680 0.996 18
TRP A 19 0.994 0.954 0.688 0.978 19 19
PHE A 20 0.956 0.974 0.543 0.997 20 20
MET A 21 0.974 0.959 0.999 0.999 0.681 21 21
LEU A 22 0.988 0.995 0.999 1.000 22 22
MET A 23 0.997 0.989 0.939 0.926 0.845 23 23
PRO A 24 0.996 0.993 0.907 0.816 24 24
LYS A 25 0.972 0.994 0.999 0.645 0.998 0.998 25 25
GLN A 26 0.983 0.986 0.594 0.998 0.748 26 26
LYS A 27 0.987 0.947 0.652 0.664 0.995 0.926 27 27
VAL A 28 0.963 0.994 1.000 28 28
GLU A 29 0.983 0.993 0.877 0.835 0.946 29 29
GLY A 30 0.996 0.997 30 30
PRO A 31 0.997 0.992 0.999 1.000 31 31
LEU A 32 0.997 0.994 0.983 0.838 32 32
CYS A 33 0.991 0.998 1.000 33 33
ILE A 34 0.999 0.998 0.999 0.907 34 34
ARG A 35 0.994 0.996 0.987 0.943 0.532 0.812 1.000 35 35
ILE A 36 0.995 0.997 1.000 0.922 36 36
ASP A 37 0.995 0.998 1.000 0.964 37 37
GLN A 38 0.995 0.997 0.998 0.725 0.746 38 38
ALA A 39 0.994 0.971 39 39
ILE A 40 0.987 0.996 0.999 0.622 40 40
MET A 41 0.993 0.992 0.183 0.996 0.553 41 41
ASP A 42 0.997 0.994 0.664 0.844 42 42
LYS A 43 0.993 0.997 0.999 0.999 0.999 0.950 43 43
ASN A 44 0.997 0.994 0.999 0.953 44 44
ILE A 45 0.991 0.998 1.000 0.915 45 45
MET A 46 0.995 0.995 0.928 0.780 0.672 46 46
LEU A 47 0.990 0.991 0.923 0.668 47 47
LYS A 48 0.989 0.985 0.998 0.997 0.744 0.936 48 48
ALA A 49 0.982 0.992 49 49
ASN A 50 0.997 0.979 0.620 0.953 50 50
PHE A 51 0.990 0.997 0.998 0.998 51 51
SER A 52 0.996 0.994 0.798 52 52
VAL A 53 0.989 0.995 0.848 53 53
ILE A 54 0.991 0.995 0.762 0.999 54 54
PHE A 55 0.996 0.929 0.887 0.893 55 55
ASP A 56 0.912 0.994 0.643 0.818 56 56
ARG A 57 0.989 0.981 0.649 0.612 0.785 0.677 1.000 57 57
LEU A 58 0.994 0.998 0.998 0.909 58 58
GLU A 59 0.998 0.994 1.000 0.997 0.909 59 59
THR A 60 0.984 0.992 0.797 60 60
LEU A 61 0.991 0.998 0.999 1.000 61 61
ILE A 62 0.997 0.997 1.000 1.000 62 62
LEU A 63 0.992 0.994 0.502 0.644 63 63
LEU A 64 0.996 0.995 0.996 0.945 64 64
ARG A 65 0.996 0.994 0.769 0.663 0.693 0.184 0.999 65 65
ALA A 66 0.986 0.995 66 66
PHE A 67 0.952 0.989 0.472 0.999 67 67
THR A 68 0.989 0.995 1.000 68 68
GLU A 69 0.994 0.987 0.637 0.810 0.864 69 69
GLU A 70 0.986 0.995 0.998 0.878 0.842 70 70
GLY A 71 0.993 0.988 71 71
ALA A 72 0.982 0.983 72 72
ILE A 73 0.992 0.994 0.934 0.835 73 73
VAL A 74 0.992 0.983 0.917 74 74
GLY A 75 0.986 0.995 75 75
GLU A 76 0.997 0.994 0.998 0.995 0.762 76 76
ILE A 77 0.995 0.994 1.000 1.000 77 77
SER A 78 0.990 0.993 0.455 78 78
PRO A 79 0.996 0.997 0.917 0.825 79 79
LEU A 80 0.977 0.994 0.934 0.938 80 80
PRO A 81 0.992 0.761 0.926 0.861
SER A 82 0.739 0.961 0.774
PHE A 83 0.985 0.846 0.998 0.992 83
PRO A 84 0.984 0.851 0.927 0.884 84
GLY A 85 0.535 0.549
HIS A 86 0.822 0.949 0.925 0.898 86
THR A 87 0.988 0.997 0.923 87 87
ILE A 88 0.999 0.994 0.718 0.919 88 88
GLU A 89 0.991 0.987 0.934 0.694 0.957 89 89
ASP A 90 0.981 0.998 0.998 0.991 90 90
VAL A 91 0.997 0.999 1.000 91 91
LYS A 92 0.997 0.989 0.549 0.953 0.650 0.918 92 92
ASN A 93 0.998 0.999 1.000 1.000 93 93
ALA A 94 0.999 0.999 94 94
ILE A 95 1.000 0.999 1.000 1.000 95 95
GLY A 96 0.999 0.998 96 96
VAL A 97 0.999 1.000 1.000 97 97
LEU A 98 0.999 0.998 1.000 1.000 98 98
ILE A 99 0.999 0.998 1.000 1.000 99 99
GLY A 100 0.999 0.999 100 100
GLY A 101 0.999 0.991 101 101
LEU A 102 0.991 0.996 0.999 0.999 102 102
GLU A 103 0.999 0.993 0.999 0.538 0.940 103 103
ARG A 104 0.998 0.995 0.999 0.998 0.925 0.564 1.000 104 104
ASN A 105 0.994 0.989 1.000 0.975 105 105
ASP A 106 0.995 0.976 0.676 0.878 106 106
ASN A 107 0.923 0.980 0.511 0.606 107 107
THR A 108 0.992 0.979 1.000 108 108
VAL A 109 0.983 0.996 1.000 109 109
ARG A 110 0.998 0.980 0.931 0.926 1.000 0.936 1.000 110 110
VAL A 111 0.973 0.989 0.704 111 111
SER A 112 0.993 0.985 0.568 112 112
LYS A 113 0.996 0.990 0.708 1.000 1.000 1.000 113 113
THR A 114 0.974 0.968 0.714 114 114
LEU A 115 0.971 0.995 0.934 0.862 115 115
GLN A 116 0.992 0.979 0.725 0.921 0.931 116 116
ARG A 117 0.968 0.961 0.605 0.862 0.790 0.889 1.000 117 117
PHE A 118 0.969 0.942 0.992 0.792 118 118
ALA A 119 0.936 0.988 119 119
TRP A 120 0.984 0.734 0.870 0.635
GLY A 121 0.727 0.273
SER A 122 0.570 0.613 0.424
SER A 123 0.803 0.442 0.282
ASN A 124 0.475 0.545 0.292 0.674
GLU A 125 0.887 0.735 0.484 0.601 0.939
ASN A 126 0.859 0.581 0.378 0.858
GLY A 127 0.364 0.068
ARG A 128 0.395 0.910 0.694 0.875 0.789 0.936 1.000
PRO A 129 0.993 0.982 0.904 0.814 129 129
PRO A 130 0.994 0.933 0.908 0.818 130 130
LEU A 131 0.978 0.899 0.529 0.574 131
THR A 132 0.957 0.853 0.519 132
LEU A 133 0.958 0.947 0.855 0.805 133 133
GLU A 134 0.871 0.575 0.999 0.978
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 `OR8C_R3_em_bcr3.pdb'
>
> Kabsch RMSD of backbone atoms in res. A[4..17],A[19..80],A[87..119],A[129..130],for model 1 is: 3.697
> Kabsch RMSD of backbone atoms in res. A[4..17],A[19..80],A[87..119],A[129..130],for model 2 is: 2.235
> Kabsch RMSD of backbone atoms in res. A[4..17],A[19..80],A[87..119],A[129..130],for model 3 is: 2.274
> Kabsch RMSD of backbone atoms in res. A[4..17],A[19..80],A[87..119],A[129..130],for model 4 is: 3.104
> Kabsch RMSD of backbone atoms in res. A[4..17],A[19..80],A[87..119],A[129..130],for model 5 is: 3.245
> Kabsch RMSD of backbone atoms in res. A[4..17],A[19..80],A[87..119],A[129..130],for model 6 is: 1.904 (*)
> Kabsch RMSD of backbone atoms in res. A[4..17],A[19..80],A[87..119],A[129..130],for model 7 is: 3.395
> Kabsch RMSD of backbone atoms in res. A[4..17],A[19..80],A[87..119],A[129..130],for model 8 is: 3.022
> Kabsch RMSD of backbone atoms in res. A[4..17],A[19..80],A[87..119],A[129..130],for model 9 is: 2.411
> Kabsch RMSD of backbone atoms in res. A[4..17],A[19..80],A[87..119],A[129..130],for model 10 is: 2.854
> Kabsch RMSD of backbone atoms in res. A[4..17],A[19..80],A[87..119],A[129..130],for model 11 is: 2.133
> Kabsch RMSD of backbone atoms in res. A[4..17],A[19..80],A[87..119],A[129..130],for model 12 is: 2.493
> Kabsch RMSD of backbone atoms in res. A[4..17],A[19..80],A[87..119],A[129..130],for model 13 is: 2.657
> Kabsch RMSD of backbone atoms in res. A[4..17],A[19..80],A[87..119],A[129..130],for model 14 is: 2.284
> Kabsch RMSD of backbone atoms in res. A[4..17],A[19..80],A[87..119],A[129..130],for model 15 is: 2.364
> Kabsch RMSD of backbone atoms in res. A[4..17],A[19..80],A[87..119],A[129..130],for model 16 is: 2.031
> Kabsch RMSD of backbone atoms in res. A[4..17],A[19..80],A[87..119],A[129..130],for model 17 is: 3.090
> Kabsch RMSD of backbone atoms in res. A[4..17],A[19..80],A[87..119],A[129..130],for model 18 is: 3.305
> Kabsch RMSD of backbone atoms in res. A[4..17],A[19..80],A[87..119],A[129..130],for model 19 is: 2.279
> Kabsch RMSD of backbone atoms in res. A[4..17],A[19..80],A[87..119],A[129..130],for model 20 is: 2.844
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[4..17],[19..80],[87..119],[129..130], is: 2.681
> Range of RMSD values to reference struct. is 1.904 to 3.697
> Kabsch RMSD of heavy atoms in res. A[4..17],A[19..80],A[87..119],A[129..130],for model 1 is: 3.606
> Kabsch RMSD of heavy atoms in res. A[4..17],A[19..80],A[87..119],A[129..130],for model 2 is: 2.241
> Kabsch RMSD of heavy atoms in res. A[4..17],A[19..80],A[87..119],A[129..130],for model 3 is: 2.348
> Kabsch RMSD of heavy atoms in res. A[4..17],A[19..80],A[87..119],A[129..130],for model 4 is: 3.036
> Kabsch RMSD of heavy atoms in res. A[4..17],A[19..80],A[87..119],A[129..130],for model 5 is: 3.198
> Kabsch RMSD of heavy atoms in res. A[4..17],A[19..80],A[87..119],A[129..130],for model 6 is: 2.026 (*)
> Kabsch RMSD of heavy atoms in res. A[4..17],A[19..80],A[87..119],A[129..130],for model 7 is: 3.332
> Kabsch RMSD of heavy atoms in res. A[4..17],A[19..80],A[87..119],A[129..130],for model 8 is: 2.998
> Kabsch RMSD of heavy atoms in res. A[4..17],A[19..80],A[87..119],A[129..130],for model 9 is: 2.538
> Kabsch RMSD of heavy atoms in res. A[4..17],A[19..80],A[87..119],A[129..130],for model 10 is: 2.866
> Kabsch RMSD of heavy atoms in res. A[4..17],A[19..80],A[87..119],A[129..130],for model 11 is: 2.149
> Kabsch RMSD of heavy atoms in res. A[4..17],A[19..80],A[87..119],A[129..130],for model 12 is: 2.543
> Kabsch RMSD of heavy atoms in res. A[4..17],A[19..80],A[87..119],A[129..130],for model 13 is: 2.680
> Kabsch RMSD of heavy atoms in res. A[4..17],A[19..80],A[87..119],A[129..130],for model 14 is: 2.285
> Kabsch RMSD of heavy atoms in res. A[4..17],A[19..80],A[87..119],A[129..130],for model 15 is: 2.412
> Kabsch RMSD of heavy atoms in res. A[4..17],A[19..80],A[87..119],A[129..130],for model 16 is: 2.039
> Kabsch RMSD of heavy atoms in res. A[4..17],A[19..80],A[87..119],A[129..130],for model 17 is: 3.059
> Kabsch RMSD of heavy atoms in res. A[4..17],A[19..80],A[87..119],A[129..130],for model 18 is: 3.225
> Kabsch RMSD of heavy atoms in res. A[4..17],A[19..80],A[87..119],A[129..130],for model 19 is: 2.444
> Kabsch RMSD of heavy atoms in res. A[4..17],A[19..80],A[87..119],A[129..130],for model 20 is: 2.940
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[4..17],[19..80],[87..119],[129..130], is: 2.698
> Range of RMSD values to reference struct. is 2.026 to 3.606
Text report of backbone RMSD for entire protein
> Kabsch RMSD of backb atoms in res. *[1..134],for model 1 is: 6.496
> Kabsch RMSD of backb atoms in res. *[1..134],for model 2 is: 4.942
> Kabsch RMSD of backb atoms in res. *[1..134],for model 3 is: 4.793
> Kabsch RMSD of backb atoms in res. *[1..134],for model 4 is: 6.297
> Kabsch RMSD of backb atoms in res. *[1..134],for model 5 is: 6.592
> Kabsch RMSD of backb atoms in res. *[1..134],for model 6 is: 3.864 (*)
> Kabsch RMSD of backb atoms in res. *[1..134],for model 7 is: 6.608
> Kabsch RMSD of backb atoms in res. *[1..134],for model 8 is: 6.016
> Kabsch RMSD of backb atoms in res. *[1..134],for model 9 is: 5.134
> Kabsch RMSD of backb atoms in res. *[1..134],for model 10 is: 5.675
> Kabsch RMSD of backb atoms in res. *[1..134],for model 11 is: 5.185
> Kabsch RMSD of backb atoms in res. *[1..134],for model 12 is: 5.078
> Kabsch RMSD of backb atoms in res. *[1..134],for model 13 is: 5.747
> Kabsch RMSD of backb atoms in res. *[1..134],for model 14 is: 4.704
> Kabsch RMSD of backb atoms in res. *[1..134],for model 15 is: 5.074
> Kabsch RMSD of backb atoms in res. *[1..134],for model 16 is: 4.721
> Kabsch RMSD of backb atoms in res. *[1..134],for model 17 is: 6.536
> Kabsch RMSD of backb atoms in res. *[1..134],for model 18 is: 6.696
> Kabsch RMSD of backb atoms in res. *[1..134],for model 19 is: 4.317
> Kabsch RMSD of backb atoms in res. *[1..134],for model 20 is: 4.929
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..134], is: 5.470
> Range of RMSD values to reference struct. is 3.864 to 6.696
Text report of heavy atom RMSD for entire protein
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 1 is: 6.816
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 2 is: 5.210
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 3 is: 5.033
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 4 is: 6.596
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 5 is: 6.962
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 6 is: 4.094 (*)
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 7 is: 6.851
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 8 is: 6.180
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 9 is: 5.487
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 10 is: 5.990
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 11 is: 5.404
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 12 is: 5.401
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 13 is: 6.028
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 14 is: 5.063
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 15 is: 5.526
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 16 is: 4.999
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 17 is: 6.838
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 18 is: 6.862
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 19 is: 4.532
> Kabsch RMSD of heavy atoms in res. *[1..134],for model 20 is: 5.322
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..134], is: 5.760
> Range of RMSD values to reference struct. is 4.094 to 6.962
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 5.5 4.7 4.0
All heavy atoms 5.8 4.7 4.0
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 >>>----------+
| |
| OR8C_R3_em_bcr3_020.rin 0.0 2300 residues |
| |
*| Ramachandran plot: 88.0% core 11.9% allow 0.0% gener 0.0% disall |
| |
+| All Ramachandrans: 31 labelled residues (out of2300) |
| Chi1-chi2 plots: 0 labelled residues (out of1540) |
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
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
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
4 -1.73
5 -0.92
6 0.22
7 0.02
8 -1.80
9 0.17
10 -0.67
11 -0.27
12 0.66
13 0.62
14 0.32
15 0.57
16 -0.45
17 -1.26
18 -0.38
20 0.07
21 -0.41
22 0.12
23 -2.23
24 -0.43
25 -0.94
26 -0.65
27 -0.45
28 0.03
29 -1.87
30 -0.38
31 -1.21
32 -0.30
33 0.02
34 -0.05
35 -0.41
36 0.13
37 0.04
38 -0.15
39 -0.16
40 -0.53
41 -0.31
42 -0.44
43 -0.32
44 -0.15
45 0.35
46 -0.32
47 -0.37
48 -0.33
49 -0.64
50 -0.37
51 -0.35
52 -0.25
53 0.12
54 -0.81
55 -1.93
56 -0.82
57 -0.45
58 -1.01
59 -1.84
60 -0.31
61 -0.16
62 -2.18
63 -1.39
64 -0.48
65 -0.19
66 -1.16
67 0.02
69 -0.09
70 -0.43
71 0.33
72 -0.89
73 -0.41
74 -1.69
75 -0.56
76 -0.96
77 0.21
78 -0.04
79 0.46
80 -0.22
86 -0.91
87 -0.65
88 -0.28
89 -0.13
90 0.03
91 0.66
92 0.85
93 1.08
94 0.91
95 1.01
96 1.10
97 0.98
98 0.89
99 0.64
100 0.96
101 1.04
102 0.59
103 0.75
104 0.13
105 0.24
106 -1.46
107 -0.60
108 -0.63
109 0.21
110 -0.20
111 -0.09
112 -0.55
113 0.27
114 -0.45
115 0.34
116 0.52
117 -0.74
118 -2.56
119 -1.96
129 0.32
130 -0.08
131 -0.88
132 -0.54
#Reported_Model_Average -0.303
#Overall_Average_Reported -0.303
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
4 -0.92
5 -0.23
6 0.15
7 0.07
8 -0.80
9 0.35
10 0.04
11 0.03
12 0.69
13 0.75
14 0.47
15 0.61
16 -0.07
17 -0.27
18 0.06
20 0.35
21 0.32
22 0.51
23 -0.60
24 -0.43
25 -0.34
26 0.10
27 0.21
28 0.41
29 -1.09
30 -0.38
31 -1.21
32 0.05
33 0.09
34 -0.83
35 -0.01
36 0.48
37 0.13
38 0.44
39 -0.16
40 -0.16
41 -0.01
42 -0.08
43 -0.01
44 -0.03
45 0.57
46 -0.19
47 -0.54
48 0.42
49 -0.64
50 0.02
51 -0.30
52 0.21
53 0.38
54 -0.58
55 -0.69
56 -0.30
57 -0.13
58 -0.99
59 -0.58
60 0.11
61 0.17
62 -0.66
63 -0.46
64 -0.75
65 0.19
66 -1.16
67 0.22
69 -0.09
70 0.32
71 0.33
72 -0.89
73 0.14
74 -1.09
75 -0.56
76 -0.21
77 0.52
78 0.17
79 0.46
80 0.33
86 -0.46
87 -0.22
88 -0.32
89 0.47
90 0.26
91 0.66
92 0.69
93 1.11
94 0.91
95 0.96
96 1.10
97 0.78
98 0.69
99 0.77
100 0.96
101 1.04
102 0.74
103 0.69
104 0.59
105 0.71
106 -0.53
107 -0.05
108 -0.01
109 0.42
110 0.07
111 0.18
112 -0.26
113 0.72
114 -0.07
115 0.48
116 0.67
117 0.05
118 -1.21
119 -1.96
129 0.32
130 -0.08
131 -0.11
132 -0.05
#Reported_Model_Average 0.028
#Overall_Average_Reported 0.028
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
4 0.17 0.59 0.17 0.34 0.34 0.17 0.34 0.17 0.17 0.34 0.34 0.34 0.59 0.34 0.34 0.34 0.59 0.17 0.17 0.17
5 -1.12 0.19 0.19 0.19 0.84 -1.12 0.19 -1.12 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 -1.12 0.19 0.19
6 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30
7 0.26 0.09 1.07 0.09 1.07 0.26 0.26 0.09 0.09 1.50 0.26 1.07 1.07 0.09 1.07 0.26 1.50 1.07 1.50 1.07
8 0.79 0.79 -0.17 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 -0.17 0.79 0.79 -0.17 0.79 0.79
9 0.34 0.51 0.34 0.34 0.51 0.51 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.51 0.34 0.34 0.34 0.34 0.51
10 1.00 0.91 1.00 0.91 1.00 1.00 1.00 1.00 0.91 1.00 1.00 1.00 1.00 0.91 1.00 1.00 0.91 1.00 0.91 0.91
11 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
12 -2.36 -2.36 -2.36 -2.36 -0.59 -2.36 -2.36 -2.36 -2.36 -2.36 -2.36 -2.36 -2.36 -2.36 -2.36 -0.59 -0.59 -2.36 -2.36 -2.36
13 0.60 0.62 0.62 0.60 0.60 0.62 0.60 0.62 0.62 0.60 0.60 0.60 0.62 0.60 0.60 0.60 0.62 0.60 0.62 0.60
14 -0.43 -0.58 0.62 0.62 -0.43 0.09 0.09 0.62 -0.58 0.62 -0.43 0.62 0.62 0.62 -0.43 -0.43 -0.58 0.62 -0.43 0.09
15 -0.30 -0.30 0.71 -0.30 0.71 0.71 0.71 0.16 -0.30 -0.30 -0.30 0.71 0.71 0.71 -0.30 0.71 0.16 -0.30 -0.30 -0.30
16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16
17 0.71 0.71 0.71 0.71 0.71 0.71 0.24 0.71 0.71 0.71 0.71 0.71 0.24 0.71 0.71 0.71 0.24 0.71 0.24 0.24
18 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 0.23 0.23 0.23 0.23 0.23
19 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
20 -1.63 -1.63 -1.63 -1.63 -1.63 -1.63 -0.84 -0.84 -1.63 -1.63 -1.63 -1.63 -1.63 -1.63 -1.63 -0.84 -1.63 -0.84 -1.63 -1.63
21 0.23 1.00 0.23 1.00 0.23 1.00 1.00 1.00 1.00 1.00 1.00 1.00 0.23 1.00 1.00 1.00 1.00 1.00 0.23 1.00
22 -0.68 -1.14 -1.14 -1.14 -0.68 -1.14 -0.68 -0.68 -1.14 -1.14 -1.14 -0.68 -1.14 -1.14 -1.14 -0.68 -1.14 -0.68 -0.68 -0.68
23 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 0.23 -0.83 -0.83
24 -1.01 -1.01 -1.01 -1.01 -0.65 -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
25 0.55 0.55 0.55 0.55 0.55 -0.83 0.55 0.55 0.55 0.55 0.35 0.55 0.55 0.55 0.55 0.55 0.55 0.35 0.55 0.55
26 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 0.10 0.10 0.10 0.10
27 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 0.55 0.55 0.55 0.55 0.55 0.55
28 0.44 0.44 0.08 0.08 0.44 0.44 0.08 0.08 0.08 0.44 0.08 0.44 0.44 0.44 0.08 0.08 0.08 0.08 0.08 0.08
29 0.41 -0.68 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 -0.68 0.41 0.41 0.41 0.41 0.41 -0.68 0.41 -0.68
30 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
31 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64
32 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07
33 1.28 1.28 1.28 1.28 1.28 -0.04 1.28 1.28 1.28 -0.04 -0.04 1.28 1.28 -0.04 1.28 1.28 1.28 -0.04 1.28 1.28
34 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
35 0.84 0.84 0.84 0.19 0.19 0.19 0.84 0.84 0.19 0.84 0.84 0.19 0.84 0.84 0.84 0.19 0.19 0.84 0.19 0.19
36 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.50 1.07 1.07
37 -1.80 -0.61 -0.61 -0.61 -0.61 -0.61 -0.61 -0.61 -1.80 -1.80 -0.61 -1.80 -0.61 -1.80 -0.61 -0.61 -0.61 -0.61 -1.80 -1.80
38 0.25 -0.57 0.25 -0.87 0.25 0.25 -0.57 -0.57 -0.57 0.25 0.25 0.25 -0.57 -0.57 -0.57 0.25 -0.57 -0.57 0.25 0.25
39 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
40 -0.28 0.81 0.81 0.81 0.81 0.81 0.93 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81
41 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83
42 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 0.51 0.23 0.23 0.23 0.23 0.23
43 0.08 0.47 0.47 0.08 0.08 0.08 0.47 0.47 0.08 0.47 0.08 0.08 0.08 0.47 0.47 0.47 0.47 0.47 0.08 0.47
44 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 0.00 0.00
45 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
46 -0.76 -0.76 -0.76 -0.76 -0.76 -0.76 -0.76 -0.76 -0.76 -0.40 -0.76 -0.40 -0.76 -0.68 -0.76 -0.76 -0.40 -0.76 -0.76 -0.76
47 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07
48 0.35 0.35 0.35 0.55 0.35 0.35 0.35 0.55 0.35 0.35 0.35 0.35 0.55 0.35 0.35 0.55 0.35 0.55 0.55 0.35
49 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
50 -0.92 -0.92 -0.92 -0.92 -2.18 -0.92 -0.92 -0.92 -0.92 -0.33 -0.92 -0.92 -0.26 -0.92 -0.92 -0.92 -0.92 -0.26 -0.92 -0.92
51 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 1.32 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96
52 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
53 1.18 0.71 1.18 1.18 1.18 1.18 1.18 1.18 0.71 1.18 0.71 1.18 1.18 1.18 1.18 1.18 1.18 1.18 0.71 1.18
54 -0.35 0.09 0.26 -0.35 -0.35 0.26 -0.35 1.07 -0.35 -0.35 0.26 -0.35 -0.35 0.26 -0.35 -0.35 0.26 0.26 1.07 -0.35
55 -0.84 -0.84 -1.63 -0.84 -0.84 0.71 -0.84 -0.84 -0.84 -0.84 0.71 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -1.63
56 0.23 0.51 0.51 0.23 0.34 0.23 0.23 0.23 0.51 0.34 0.23 0.51 0.51 0.23 0.51 0.23 0.51 0.23 0.51 0.51
57 0.19 0.19 0.19 0.19 0.19 0.84 0.19 0.84 0.19 0.84 0.84 0.84 0.84 0.84 0.19 0.19 0.19 0.19 0.84 0.84
58 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 0.36
59 0.41 0.41 0.41 0.41 0.41 -0.68 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
60 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79
61 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07
62 -0.35 -0.35 0.09 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 0.09 -0.35 -0.35 0.09 -0.35 -0.35
63 0.36 0.14 0.14 0.36 0.14 0.14 0.14 0.14 0.14 0.14 0.14 -1.33 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14
64 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07
65 0.84 -0.41 -0.41 -0.41 0.84 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 0.84 -0.41 0.84 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41
66 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
67 1.32 0.37 0.37 1.32 1.32 0.37 0.37 1.32 1.32 0.37 1.32 0.37 1.32 0.37 1.32 1.32 0.37 0.37 1.32 1.32
68 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95
69 0.28 0.28 0.28 0.28 0.28 0.28 0.04 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
70 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.28 0.28 0.28
71 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
72 -0.25 0.14 0.14 -0.25 0.49 0.14 0.14 0.14 0.49 -0.25 0.14 0.49 0.14 0.14 0.14 0.14 0.14 0.14 0.49 0.49
73 1.07 1.07 1.07 1.07 1.07 1.07 0.26 1.07 1.07 1.07 1.07 1.07 1.07 0.26 1.07 1.07 1.07 0.26 1.07 0.26
74 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 0.71 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18
75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75
76 -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
77 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
78 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
79 -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 -1.01 -1.01 -1.01
80 0.29 -0.33 -0.33 0.77 0.29 0.29 0.77 -0.33 0.77 0.77 0.29 0.77 0.77 0.77 0.77 0.29 0.77 0.29 0.29 0.77
86 0.54 -0.61 0.54 0.54 0.54 0.54 0.54 0.54 -0.61 0.54 0.54 0.54 0.54 0.54 -0.61 -0.61 -0.61 0.54 -0.61 0.54
87 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.55 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
88 -0.59 -0.02 -0.02 -0.02 -0.02 0.55 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 0.55 0.55 -0.02 -0.02 -0.02 -0.02 0.55 -0.59
89 0.60 0.62 0.62 0.62 0.62 0.60 0.60 0.62 0.62 0.60 0.62 0.62 0.62 0.62 0.62 0.62 0.60 0.60 0.60 0.60
90 -0.28 -0.28 -0.28 0.29 0.29 -0.28 -0.28 0.29 0.29 -0.28 0.29 -0.28 -0.28 -0.28 0.29 -0.28 -0.28 -0.28 -0.28 0.29
91 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
92 0.66 0.56 0.56 0.56 0.56 0.56 0.66 0.56 0.56 0.66 0.56 0.56 0.56 0.66 0.56 0.56 0.66 0.56 0.66 0.66
93 -0.02 -0.02 -0.58 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 0.32 -0.02 0.32
94 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
95 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11
96 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63
97 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30
98 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30
99 1.11 0.55 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 0.55 1.11 0.55 1.11 1.11 1.11 1.11 1.11 1.11 1.11
100 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63
101 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63
102 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30
103 0.62 0.62 0.62 0.62 0.62 0.62 0.09 0.09 0.09 0.62 0.09 0.62 0.62 0.62 0.62 0.62 0.62 0.09 0.62 0.62
104 -0.20 -0.20 -0.20 1.10 -0.20 -0.20 0.56 0.56 -0.20 0.56 -0.20 -0.20 -0.20 -0.20 0.56 -0.20 -0.20 1.10 -0.20 -0.20
105 0.51 0.51 -0.26 -0.56 0.51 0.51 0.51 0.51 0.51 -0.56 0.51 0.51 -0.26 0.09 -0.26 -0.26 0.51 -0.26 0.51 0.51
106 0.23 0.23 0.51 0.23 0.23 0.23 0.51 0.23 0.23 0.51 0.23 0.23 0.23 0.23 0.23 0.23 0.51 0.23 0.23 0.23
107 -0.56 -0.56 -0.56 -2.61 -0.56 -2.61 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -2.61 -0.56 -0.56 -0.56 -0.56 -0.56
108 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.95 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79
109 1.18 1.18 1.18 1.18 0.71 1.18 1.18 0.71 1.18 1.18 1.18 0.71 0.71 1.18 1.18 0.71 1.18 1.18 1.18 1.18
110 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.84 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19
111 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
112 0.59 0.17 0.59 0.59 0.59 0.59 0.59 0.17 0.59 0.17 0.17 0.59 0.17 0.59 0.59 0.59 0.17 0.17 0.17 0.59
113 0.66 0.66 0.07 0.07 0.66 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.66 0.07 0.66 0.66 0.07 0.07
114 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39
115 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30
116 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 -0.32 0.62 0.62 0.62 -0.32 0.62 0.62 0.62 -0.32 0.62 0.62 0.62
117 1.10 0.56 0.56 0.56 1.10 0.56 0.56 0.56 0.56 0.56 0.56 -0.20 0.56 0.56 -0.20 0.56 1.10 0.56 1.10 0.56
118 0.87 0.87 0.87 0.87 0.87 1.28 1.28 0.87 0.87 -0.22 1.28 0.87 0.87 1.28 0.87 0.87 1.28 0.87 1.28 1.28
119 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
129 0.25 0.25 0.25 0.25 0.44 0.64 0.44 0.44 0.25 0.25 0.44 0.25 0.44 0.25 0.25 0.25 0.44 0.44 0.25 0.25
130 0.25 0.25 0.25 0.44 0.44 0.25 0.25 0.44 0.44 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.44 0.25 0.25 0.25
131 -1.14 -1.14 -1.14 -0.68 -1.14 1.06 -1.14 -1.14 -0.68 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -0.68 0.29 0.77 -1.14
132 0.08 0.08 0.08 0.08 0.55 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.55 0.08 0.08 0.08 0.55 0.08 0.08 0.08
#Reported_Model_Average 0.363 0.345 0.374 0.371 0.438 0.376 0.394 0.403 0.347 0.377 0.388 0.380 0.394 0.390 0.365 0.394 0.408 0.392 0.404 0.371
#Overall_Average_Reported 0.384
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
4 0.17 0.59 0.17 0.34 0.34 0.17 0.34 0.17 0.17 0.34 0.34 0.34 0.59 0.34 0.34 0.34 0.59 0.17 0.17 0.17
5 -1.12 0.19 0.19 0.19 0.84 -1.12 0.19 -1.12 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 -1.12 0.19 0.19
6 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30
7 0.26 0.09 1.07 0.09 1.07 0.26 0.26 0.09 0.09 1.50 0.26 1.07 1.07 0.09 1.07 0.26 1.50 1.07 1.50 1.07
8 0.79 0.79 -0.17 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 -0.17 0.79 0.79 -0.17 0.79 0.79
9 0.34 0.51 0.34 0.34 0.51 0.51 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.51 0.34 0.34 0.34 0.34 0.51
10 1.00 0.91 1.00 0.91 1.00 1.00 1.00 1.00 0.91 1.00 1.00 1.00 1.00 0.91 1.00 1.00 0.91 1.00 0.91 0.91
11 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
12 -2.36 -2.36 -2.36 -2.36 -0.59 -2.36 -2.36 -2.36 -2.36 -2.36 -2.36 -2.36 -2.36 -2.36 -2.36 -0.59 -0.59 -2.36 -2.36 -2.36
13 0.60 0.62 0.62 0.60 0.60 0.62 0.60 0.62 0.62 0.60 0.60 0.60 0.62 0.60 0.60 0.60 0.62 0.60 0.62 0.60
14 -0.43 -0.58 0.62 0.62 -0.43 0.09 0.09 0.62 -0.58 0.62 -0.43 0.62 0.62 0.62 -0.43 -0.43 -0.58 0.62 -0.43 0.09
15 -0.30 -0.30 0.71 -0.30 0.71 0.71 0.71 0.16 -0.30 -0.30 -0.30 0.71 0.71 0.71 -0.30 0.71 0.16 -0.30 -0.30 -0.30
16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16
17 0.71 0.71 0.71 0.71 0.71 0.71 0.24 0.71 0.71 0.71 0.71 0.71 0.24 0.71 0.71 0.71 0.24 0.71 0.24 0.24
18 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 0.23 0.23 0.23 0.23 0.23
19 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
20 -1.63 -1.63 -1.63 -1.63 -1.63 -1.63 -0.84 -0.84 -1.63 -1.63 -1.63 -1.63 -1.63 -1.63 -1.63 -0.84 -1.63 -0.84 -1.63 -1.63
21 0.23 1.00 0.23 1.00 0.23 1.00 1.00 1.00 1.00 1.00 1.00 1.00 0.23 1.00 1.00 1.00 1.00 1.00 0.23 1.00
22 -0.68 -1.14 -1.14 -1.14 -0.68 -1.14 -0.68 -0.68 -1.14 -1.14 -1.14 -0.68 -1.14 -1.14 -1.14 -0.68 -1.14 -0.68 -0.68 -0.68
23 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 0.23 -0.83 -0.83
24 -1.01 -1.01 -1.01 -1.01 -0.65 -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
25 0.55 0.55 0.55 0.55 0.55 -0.83 0.55 0.55 0.55 0.55 0.35 0.55 0.55 0.55 0.55 0.55 0.55 0.35 0.55 0.55
26 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 0.10 0.10 0.10 0.10
27 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 0.55 0.55 0.55 0.55 0.55 0.55
28 0.44 0.44 0.08 0.08 0.44 0.44 0.08 0.08 0.08 0.44 0.08 0.44 0.44 0.44 0.08 0.08 0.08 0.08 0.08 0.08
29 0.41 -0.68 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 -0.68 0.41 0.41 0.41 0.41 0.41 -0.68 0.41 -0.68
30 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
31 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64
32 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07
33 1.28 1.28 1.28 1.28 1.28 -0.04 1.28 1.28 1.28 -0.04 -0.04 1.28 1.28 -0.04 1.28 1.28 1.28 -0.04 1.28 1.28
34 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
35 0.84 0.84 0.84 0.19 0.19 0.19 0.84 0.84 0.19 0.84 0.84 0.19 0.84 0.84 0.84 0.19 0.19 0.84 0.19 0.19
36 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.50 1.07 1.07
37 -1.80 -0.61 -0.61 -0.61 -0.61 -0.61 -0.61 -0.61 -1.80 -1.80 -0.61 -1.80 -0.61 -1.80 -0.61 -0.61 -0.61 -0.61 -1.80 -1.80
38 0.25 -0.57 0.25 -0.87 0.25 0.25 -0.57 -0.57 -0.57 0.25 0.25 0.25 -0.57 -0.57 -0.57 0.25 -0.57 -0.57 0.25 0.25
39 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
40 -0.28 0.81 0.81 0.81 0.81 0.81 0.93 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81
41 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83
42 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 0.51 0.23 0.23 0.23 0.23 0.23
43 0.08 0.47 0.47 0.08 0.08 0.08 0.47 0.47 0.08 0.47 0.08 0.08 0.08 0.47 0.47 0.47 0.47 0.47 0.08 0.47
44 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 0.00 0.00
45 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
46 -0.76 -0.76 -0.76 -0.76 -0.76 -0.76 -0.76 -0.76 -0.76 -0.40 -0.76 -0.40 -0.76 -0.68 -0.76 -0.76 -0.40 -0.76 -0.76 -0.76
47 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07
48 0.35 0.35 0.35 0.55 0.35 0.35 0.35 0.55 0.35 0.35 0.35 0.35 0.55 0.35 0.35 0.55 0.35 0.55 0.55 0.35
49 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
50 -0.92 -0.92 -0.92 -0.92 -2.18 -0.92 -0.92 -0.92 -0.92 -0.33 -0.92 -0.92 -0.26 -0.92 -0.92 -0.92 -0.92 -0.26 -0.92 -0.92
51 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 1.32 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96
52 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
53 1.18 0.71 1.18 1.18 1.18 1.18 1.18 1.18 0.71 1.18 0.71 1.18 1.18 1.18 1.18 1.18 1.18 1.18 0.71 1.18
54 -0.35 0.09 0.26 -0.35 -0.35 0.26 -0.35 1.07 -0.35 -0.35 0.26 -0.35 -0.35 0.26 -0.35 -0.35 0.26 0.26 1.07 -0.35
55 -0.84 -0.84 -1.63 -0.84 -0.84 0.71 -0.84 -0.84 -0.84 -0.84 0.71 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -1.63
56 0.23 0.51 0.51 0.23 0.34 0.23 0.23 0.23 0.51 0.34 0.23 0.51 0.51 0.23 0.51 0.23 0.51 0.23 0.51 0.51
57 0.19 0.19 0.19 0.19 0.19 0.84 0.19 0.84 0.19 0.84 0.84 0.84 0.84 0.84 0.19 0.19 0.19 0.19 0.84 0.84
58 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 0.36
59 0.41 0.41 0.41 0.41 0.41 -0.68 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
60 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79
61 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07
62 -0.35 -0.35 0.09 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 0.09 -0.35 -0.35 0.09 -0.35 -0.35
63 0.36 0.14 0.14 0.36 0.14 0.14 0.14 0.14 0.14 0.14 0.14 -1.33 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14
64 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07
65 0.84 -0.41 -0.41 -0.41 0.84 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 0.84 -0.41 0.84 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41
66 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
67 1.32 0.37 0.37 1.32 1.32 0.37 0.37 1.32 1.32 0.37 1.32 0.37 1.32 0.37 1.32 1.32 0.37 0.37 1.32 1.32
68 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95
69 0.28 0.28 0.28 0.28 0.28 0.28 0.04 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
70 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.28 0.28 0.28
71 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
72 -0.25 0.14 0.14 -0.25 0.49 0.14 0.14 0.14 0.49 -0.25 0.14 0.49 0.14 0.14 0.14 0.14 0.14 0.14 0.49 0.49
73 1.07 1.07 1.07 1.07 1.07 1.07 0.26 1.07 1.07 1.07 1.07 1.07 1.07 0.26 1.07 1.07 1.07 0.26 1.07 0.26
74 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 0.71 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18
75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75
76 -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
77 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
78 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
79 -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 -1.01 -1.01 -1.01
80 0.29 -0.33 -0.33 0.77 0.29 0.29 0.77 -0.33 0.77 0.77 0.29 0.77 0.77 0.77 0.77 0.29 0.77 0.29 0.29 0.77
86 0.54 -0.61 0.54 0.54 0.54 0.54 0.54 0.54 -0.61 0.54 0.54 0.54 0.54 0.54 -0.61 -0.61 -0.61 0.54 -0.61 0.54
87 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.55 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
88 -0.59 -0.02 -0.02 -0.02 -0.02 0.55 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 0.55 0.55 -0.02 -0.02 -0.02 -0.02 0.55 -0.59
89 0.60 0.62 0.62 0.62 0.62 0.60 0.60 0.62 0.62 0.60 0.62 0.62 0.62 0.62 0.62 0.62 0.60 0.60 0.60 0.60
90 -0.28 -0.28 -0.28 0.29 0.29 -0.28 -0.28 0.29 0.29 -0.28 0.29 -0.28 -0.28 -0.28 0.29 -0.28 -0.28 -0.28 -0.28 0.29
91 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
92 0.66 0.56 0.56 0.56 0.56 0.56 0.66 0.56 0.56 0.66 0.56 0.56 0.56 0.66 0.56 0.56 0.66 0.56 0.66 0.66
93 -0.02 -0.02 -0.58 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 0.32 -0.02 0.32
94 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
95 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11
96 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63
97 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30
98 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30
99 1.11 0.55 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 0.55 1.11 0.55 1.11 1.11 1.11 1.11 1.11 1.11 1.11
100 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63
101 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63
102 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30
103 0.62 0.62 0.62 0.62 0.62 0.62 0.09 0.09 0.09 0.62 0.09 0.62 0.62 0.62 0.62 0.62 0.62 0.09 0.62 0.62
104 -0.20 -0.20 -0.20 1.10 -0.20 -0.20 0.56 0.56 -0.20 0.56 -0.20 -0.20 -0.20 -0.20 0.56 -0.20 -0.20 1.10 -0.20 -0.20
105 0.51 0.51 -0.26 -0.56 0.51 0.51 0.51 0.51 0.51 -0.56 0.51 0.51 -0.26 0.09 -0.26 -0.26 0.51 -0.26 0.51 0.51
106 0.23 0.23 0.51 0.23 0.23 0.23 0.51 0.23 0.23 0.51 0.23 0.23 0.23 0.23 0.23 0.23 0.51 0.23 0.23 0.23
107 -0.56 -0.56 -0.56 -2.61 -0.56 -2.61 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -2.61 -0.56 -0.56 -0.56 -0.56 -0.56
108 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.95 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79
109 1.18 1.18 1.18 1.18 0.71 1.18 1.18 0.71 1.18 1.18 1.18 0.71 0.71 1.18 1.18 0.71 1.18 1.18 1.18 1.18
110 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.84 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19
111 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
112 0.59 0.17 0.59 0.59 0.59 0.59 0.59 0.17 0.59 0.17 0.17 0.59 0.17 0.59 0.59 0.59 0.17 0.17 0.17 0.59
113 0.66 0.66 0.07 0.07 0.66 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.66 0.07 0.66 0.66 0.07 0.07
114 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39
115 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30
116 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 -0.32 0.62 0.62 0.62 -0.32 0.62 0.62 0.62 -0.32 0.62 0.62 0.62
117 1.10 0.56 0.56 0.56 1.10 0.56 0.56 0.56 0.56 0.56 0.56 -0.20 0.56 0.56 -0.20 0.56 1.10 0.56 1.10 0.56
118 0.87 0.87 0.87 0.87 0.87 1.28 1.28 0.87 0.87 -0.22 1.28 0.87 0.87 1.28 0.87 0.87 1.28 0.87 1.28 1.28
119 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
129 0.25 0.25 0.25 0.25 0.44 0.64 0.44 0.44 0.25 0.25 0.44 0.25 0.44 0.25 0.25 0.25 0.44 0.44 0.25 0.25
130 0.25 0.25 0.25 0.44 0.44 0.25 0.25 0.44 0.44 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.44 0.25 0.25 0.25
131 -1.14 -1.14 -1.14 -0.68 -1.14 1.06 -1.14 -1.14 -0.68 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -1.14 -0.68 0.29 0.77 -1.14
132 0.08 0.08 0.08 0.08 0.55 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.55 0.08 0.08 0.08 0.55 0.08 0.08 0.08
#Reported_Model_Average 0.363 0.345 0.374 0.371 0.438 0.376 0.394 0.403 0.347 0.377 0.388 0.380 0.394 0.390 0.365 0.394 0.408 0.392 0.404 0.371
#Overall_Average_Reported 0.384
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
4.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
5.000 0 0 0 0 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 1
6.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
7.000 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0
8.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
9.000 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0
10.000 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 1 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 1 0 0 0 1 1 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 1 0 0 0 2 1 0 0 0 0 0 0 1 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 0 0 0 0 0 0 0 0 0 0
18.000 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
21.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0
22.000 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0
23.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
24.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0
25.000 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0
26.000 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 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 1 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 1 0 1 1 0 0 0 0 0 0 0 0 0
33.000 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0
34.000 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
35.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0
36.000 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0
37.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0
38.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
39.000 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0
40.000 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
41.000 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 1 0 0
42.000 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0
43.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
44.000 1 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 1
45.000 0 0 1 2 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0
46.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
47.000 1 1 1 1 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0
48.000 0 0 1 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0
49.000 0 1 2 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0
50.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
51.000 0 0 1 0 4 0 0 0 0 1 0 0 0 1 2 0 0 2 0 0
52.000 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 1 0 0
53.000 0 0 0 0 1 0 0 1 0 1 1 0 0 0 0 0 0 0 0 1
54.000 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0
55.000 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 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 0 0 0 0 0 0 0 1 0 0 0 0 0
58.000 3 2 2 0 0 0 0 0 0 2 1 0 2 2 0 0 0 0 0 1
59.000 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 1 0 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 0 1 0 3 0 0 0 0 1 0 0 0 1 2 0 0 2 0 0
62.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0
63.000 2 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0
64.000 3 1 4 1 3 1 1 3 3 3 3 3 3 3 5 3 3 3 3 3
65.000 0 4 0 1 0 1 0 2 0 0 0 0 0 0 1 1 0 0 0 0
66.000 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 1 0 1 0
67.000 0 0 0 0 0 0 1 0 0 0 0 1 0 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 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1
70.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
71.000 0 0 0 0 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 1 1 1 0 0 0 1 0 0 1 0 0 0 0 0
74.000 0 0 1 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0
75.000 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0
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 3 2 2 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1
78.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
79.000 0 0 0 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0
80.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
86.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
87.000 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0
88.000 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1
89.000 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0
90.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
91.000 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0
92.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
93.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
94.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
95.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
96.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
97.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
98.000 0 2 2 2 0 0 1 0 0 1 0 1 1 0 0 0 2 1 1 0
99.000 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0
100.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
101.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
102.000 1 1 0 2 0 0 0 0 1 0 1 0 1 0 0 0 0 1 1 0
103.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
104.000 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0
105.000 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 1 0 0
106.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
107.000 0 0 0 3 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0
108.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
109.000 1 1 0 1 0 0 0 0 1 0 1 1 1 0 0 0 0 1 1 0
110.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
111.000 2 1 1 1 0 1 0 0 0 0 0 1 1 0 0 0 0 0 1 1
112.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
113.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
114.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0
115.000 1 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 1 1
116.000 1 0 0 1 0 1 0 0 0 0 0 0 1 0 1 0 0 0 0 0
117.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0
118.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
119.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
129.000 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0
130.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
131.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0
132.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
#Reported_Model_Average 0.183 0.174 0.191 0.183 0.191 0.130 0.052 0.139 0.061 0.157 0.139 0.122 0.139 0.139 0.165 0.087 0.087 0.226 0.104 0.104
#Overall_Average_Reported 0.139
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2137:A 58 LEU C :A 58 LEU 3HD2 : -0.512: 0
: 2137:A 58 LEU 2HB :A 88 ILE 2HG2 : -0.448: 0
: 2137:A 77 ILE HB :A 64 LEU 2HB : -0.495: 0
: 2137:A 64 LEU 3HD2 :A 64 LEU C : -0.486: 0
: 2137:A 63 LEU 2HD1 :A 63 LEU C : -0.445: 0
: 2137:A 111 VAL 2HG2 :A 47 LEU 2HD1 : -0.428: 0
: 2137:A 111 VAL 2HG1 :A 115 LEU 1HB : -0.405: 0
: 2137:A 69 GLU 2HB :A 44 ASN 2HB : -0.419: 0
: 2137:A 102 LEU 1HB :A 109 VAL 1HG2 : -0.419: 0
: 2137:A 12 ILE HA :A 15 LEU 2HD1 : -0.410: 0
: 2137:A 116 GLN 2HB :A 123 SER 2HB : -0.404: 0
#sum2 ::5.15 clashscore : 5.15 clashscore B<40
#summary::2137 atoms:2137 atoms B<40:240300 potential dots:15020.0 A^2:11 bumps:11 bumps B<40:795.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2137:A 65 ARG 1HG :A 65 ARG 1HH1 : -0.717: 0
: 2137:A 65 ARG 1HG :A 65 ARG NH1 : -0.503: 0
: 2137:A 98 LEU 1HB :A 77 ILE 1HD1 : -0.541: 0
: 2137:A 77 ILE HB :A 64 LEU 2HB : -0.507: 0
: 2137:A 34 ILE HA :A 77 ILE 1HG1 : -0.411: 0
: 2137:A 66 ALA 2HB :A 98 LEU 1HD2 : -0.400: 0
: 2137:A 58 LEU C :A 58 LEU 3HD2 : -0.452: 0
: 2137:A 102 LEU 1HB :A 109 VAL 1HG2 : -0.442: 0
: 2137:A 111 VAL HA :A 47 LEU 2HB : -0.432: 0
: 2137:A 9 ASP 2HB :A 49 ALA H : -0.417: 0
#sum2 ::4.68 clashscore : 4.68 clashscore B<40
#summary::2137 atoms:2137 atoms B<40:240085 potential dots:15010.0 A^2:10 bumps:10 bumps B<40:776.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2137:A 98 LEU 1HB :A 77 ILE 1HD1 : -0.467: 0
: 2137:A 64 LEU HG :A 49 ALA 2HB : -0.417: 0
: 2137:A 64 LEU 3HD2 :A 64 LEU C : -0.417: 0
: 2137:A 49 ALA O :A 9 ASP 2HB : -0.416: 0
: 2137:A 66 ALA 2HB :A 98 LEU 1HD2 : -0.407: 0
: 2137:A 77 ILE HB :A 64 LEU 2HB : -0.400: 0
: 2137:A 45 ILE 3HD1 :A 74 VAL 1HG2 : -0.464: 0
: 2137:A 51 PHE 2HB :A 61 LEU HA : -0.463: 0
: 2137:A 111 VAL 2HG2 :A 47 LEU 2HD1 : -0.452: 0
: 2137:A 58 LEU C :A 58 LEU 3HD2 : -0.441: 0
: 2137:A 10 MET CG :A 48 LYS 2HB : -0.439: 0
: 2137:A 120 TRP CD1 :A 120 TRP O : -0.416: 0
#sum2 ::5.62 clashscore : 5.62 clashscore B<40
#summary::2137 atoms:2137 atoms B<40:240276 potential dots:15020.0 A^2:12 bumps:12 bumps B<40:814.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2137:A 107 ASN 2HB :A 45 ILE 2HD1 : -0.581: 0
: 2137:A 45 ILE 3HD1 :A 74 VAL 1HG2 : -0.496: 0
: 2137:A 107 ASN 1HB :A 102 LEU O : -0.451: 0
: 2137:A 102 LEU 1HB :A 109 VAL 1HG2 : -0.443: 0
: 2137:A 42 ASP N :A 107 ASN OD1 : -0.403: 0
: 2137:A 77 ILE HB :A 64 LEU 2HB : -0.492: 0
: 2137:A 98 LEU 1HB :A 77 ILE 1HD1 : -0.429: 0
: 2137:A 66 ALA 2HB :A 98 LEU 1HD2 : -0.415: 0
: 2137:A 10 MET SD :A 65 ARG 1HB : -0.457: 0
: 2137:A 111 VAL 2HG2 :A 47 LEU 2HD1 : -0.412: 0
: 2137:A 120 TRP 2HB :A 116 GLN HA : -0.403: 0
#sum2 ::5.15 clashscore : 5.15 clashscore B<40
#summary::2137 atoms:2137 atoms B<40:240545 potential dots:15030.0 A^2:11 bumps:11 bumps B<40:817.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2137:A 64 LEU 3HD2 :A 64 LEU C : -0.558: 0
: 2137:A 77 ILE HB :A 64 LEU 2HB : -0.486: 0
: 2137:A 63 LEU 1HB :A 15 LEU 2HD2 : -0.537: 0
: 2137:A 12 ILE HA :A 15 LEU 2HD1 : -0.477: 0
: 2137:A 51 PHE 2HB :A 61 LEU HA : -0.499: 0
: 2137:A 51 PHE CZ :A 7 ILE 2HG1 : -0.440: 0
: 2137:A 61 LEU 2HD1 :A 51 PHE 2HB : -0.428: 0
: 2137:A 61 LEU HA :A 51 PHE CB : -0.412: 0
: 2137:A 53 VAL HB :A 5 ARG 1HB : -0.449: 0
: 2137:A 40 ILE 2HG1 :A 74 VAL HB : -0.417: 0
: 2137:A 33 CYS SG :A 26 GLN 2HG : -0.409: 0
#sum2 ::5.15 clashscore : 5.15 clashscore B<40
#summary::2137 atoms:2137 atoms B<40:240484 potential dots:15030.0 A^2:11 bumps:11 bumps B<40:811.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2137:A 77 ILE HB :A 64 LEU 2HB : -0.541: 0
: 2137:A 41 MET HA :A 105 ASN 2HB : -0.476: 0
: 2137:A 111 VAL HA :A 47 LEU 1HB : -0.445: 0
: 2137:A 36 ILE HB :A 25 LYS 2HB : -0.436: 0
: 2137:A 12 ILE HA :A 15 LEU 2HD1 : -0.411: 0
: 2137:A 69 GLU 2HB :A 44 ASN 2HB : -0.405: 0
: 2137:A 73 ILE CG2 :A 65 ARG 1HD : -0.405: 0
: 2137:A 120 TRP 2HB :A 116 GLN HA : -0.401: 0
#sum2 ::3.74 clashscore : 3.74 clashscore B<40
#summary::2137 atoms:2137 atoms B<40:240332 potential dots:15020.0 A^2:8 bumps:8 bumps B<40:839.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2137:A 77 ILE HB :A 64 LEU 2HB : -0.510: 0
: 2137:A 67 PHE HA :A 73 ILE HA : -0.422: 0
: 2137:A 66 ALA 2HB :A 98 LEU 1HD2 : -0.416: 0
: 2137:A 123 SER HA :A 120 TRP CZ2 : -0.405: 0
#sum2 ::1.87 clashscore : 1.87 clashscore B<40
#summary::2137 atoms:2137 atoms B<40:240404 potential dots:15030.0 A^2:4 bumps:4 bumps B<40:821.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2137:A 134 GLU O :A 134 GLU 1HG : -0.525: 0
: 2137:A 77 ILE HB :A 64 LEU 2HB : -0.498: 0
: 2137:A 64 LEU 3HD2 :A 64 LEU C : -0.431: 0
: 2137:A 65 ARG 2HB :A 10 MET SD : -0.486: 0
: 2137:A 73 ILE 3HD1 :A 65 ARG 2HD : -0.451: 0
: 2137:A 5 ARG O :A 53 VAL N : -0.460: 0
: 2137:A 52 SER OG :A 59 GLU 2HB : -0.448: 0
: 2137:A 129 PRO HA :A 104 ARG 1HG : -0.443: 0
: 2137:A 79 PRO HA :A 32 LEU 3HD2 : -0.439: 0
#sum2 ::4.21 clashscore : 4.21 clashscore B<40
#summary::2137 atoms:2137 atoms B<40:240375 potential dots:15020.0 A^2:9 bumps:9 bumps B<40:830.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2137:A 44 ASN 1HB :A 133 LEU 1HB : -0.510: 0
: 2137:A 77 ILE HB :A 64 LEU 2HB : -0.501: 0
: 2137:A 64 LEU 3HD2 :A 64 LEU C : -0.442: 0
: 2137:A 102 LEU 1HB :A 109 VAL 1HG2 : -0.406: 0
#sum2 ::1.87 clashscore : 1.87 clashscore B<40
#summary::2137 atoms:2137 atoms B<40:240276 potential dots:15020.0 A^2:4 bumps:4 bumps B<40:787.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2137:A 64 LEU 3HD2 :A 64 LEU C : -0.617: 0
: 2137:A 77 ILE HB :A 64 LEU 2HB : -0.552: 0
: 2137:A 98 LEU 1HB :A 77 ILE 1HD1 : -0.439: 0
: 2137:A 58 LEU C :A 58 LEU 3HD2 : -0.472: 0
: 2137:A 134 GLU O2 :A 134 GLU 1HG : -0.454: 0
: 2137:A 51 PHE 2HB :A 61 LEU HA : -0.441: 0
: 2137:A 33 CYS HA :A 28 VAL HA : -0.440: 0
: 2137:A 79 PRO HA :A 32 LEU HA : -0.426: 0
: 2137:A 22 LEU 1HB :A 39 ALA CB : -0.409: 0
: 2137:A 53 VAL HB :A 5 ARG 1HB : -0.405: 0
#sum2 ::4.68 clashscore : 4.68 clashscore B<40
#summary::2137 atoms:2137 atoms B<40:240409 potential dots:15030.0 A^2:10 bumps:10 bumps B<40:807.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2137:A 102 LEU 1HB :A 109 VAL 1HG2 : -0.480: 0
: 2137:A 64 LEU 3HD2 :A 64 LEU C : -0.439: 0
: 2137:A 77 ILE HB :A 64 LEU 2HB : -0.438: 0
: 2137:A 79 PRO HA :A 32 LEU 3HD2 : -0.431: 0
: 2137:A 91 VAL 1HG2 :A 58 LEU 1HD2 : -0.419: 0
: 2137:A 54 ILE 1HG1 :A 55 PHE CD1 : -0.417: 0
: 2137:A 7 ILE 1HG1 :A 53 VAL CG2 : -0.414: 0
: 2137:A 48 LYS 2HB :A 48 LYS 1HE : -0.401: 0
#sum2 ::3.74 clashscore : 3.74 clashscore B<40
#summary::2137 atoms:2137 atoms B<40:240397 potential dots:15020.0 A^2:8 bumps:8 bumps B<40:842.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2137:A 49 ALA 3HB :A 115 LEU 1HD2 : -0.507: 0
: 2137:A 111 VAL 2HG1 :A 115 LEU 1HB : -0.412: 0
: 2137:A 64 LEU 3HD2 :A 64 LEU C : -0.436: 0
: 2137:A 77 ILE HB :A 64 LEU 2HB : -0.405: 0
: 2137:A 73 ILE 3HD1 :A 67 PHE 2HB : -0.427: 0
: 2137:A 99 ILE 1HG1 :A 109 VAL 1HG1 : -0.418: 0
: 2137:A 75 GLY 2HA :A 98 LEU 1HD1 : -0.417: 0
#sum2 ::3.28 clashscore : 3.28 clashscore B<40
#summary::2137 atoms:2137 atoms B<40:240392 potential dots:15020.0 A^2:7 bumps:7 bumps B<40:816.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2137:A 58 LEU C :A 58 LEU 3HD2 : -0.514: 0
: 2137:A 64 LEU 3HD2 :A 64 LEU C : -0.488: 0
: 2137:A 77 ILE HB :A 64 LEU 2HB : -0.459: 0
: 2137:A 3 ALA 3HB :A 55 PHE HA : -0.436: 0
: 2137:A 63 LEU 1HB :A 15 LEU 2HD2 : -0.435: 0
: 2137:A 75 GLY 2HA :A 98 LEU 1HD1 : -0.431: 0
: 2137:A 120 TRP 2HB :A 116 GLN HA : -0.431: 0
: 2137:A 102 LEU 1HB :A 109 VAL 1HG2 : -0.414: 0
: 2137:A 111 VAL HA :A 47 LEU 1HB : -0.401: 0
#sum2 ::4.21 clashscore : 4.21 clashscore B<40
#summary::2137 atoms:2137 atoms B<40:240269 potential dots:15020.0 A^2:9 bumps:9 bumps B<40:866.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2137:A 77 ILE HB :A 64 LEU 2HB : -0.484: 0
: 2137:A 64 LEU 3HD2 :A 64 LEU C : -0.460: 0
: 2137:A 58 LEU C :A 58 LEU 3HD2 : -0.464: 0
: 2137:A 45 ILE 3HD1 :A 74 VAL 1HG2 : -0.460: 0
: 2137:A 42 ASP N :A 107 ASN OD1 : -0.418: 0
: 2137:A 107 ASN 2HB :A 45 ILE 2HD1 : -0.400: 0
: 2137:A 87 THR 3HG2 :A 89 GLU H : -0.423: 0
: 2137:A 61 LEU 2HD1 :A 51 PHE 2HB : -0.402: 0
#sum2 ::3.74 clashscore : 3.74 clashscore B<40
#summary::2137 atoms:2137 atoms B<40:240431 potential dots:15030.0 A^2:8 bumps:8 bumps B<40:798.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2137:A 64 LEU 3HD2 :A 64 LEU C : -0.613: 0
: 2137:A 77 ILE HB :A 64 LEU 2HB : -0.503: 0
: 2137:A 64 LEU C :A 64 LEU CD2 : -0.401: 0
: 2137:A 41 MET HA :A 105 ASN 2HB : -0.596: 0
: 2137:A 61 LEU 2HD1 :A 51 PHE 2HB : -0.483: 0
: 2137:A 51 PHE 2HB :A 61 LEU HA : -0.413: 0
: 2137:A 116 GLN 2HG :A 117 ARG 1HG : -0.467: 0
: 2137:A 9 ASP 2HB :A 49 ALA O : -0.412: 0
: 2137:A 73 ILE 3HD1 :A 65 ARG 2HD : -0.410: 0
: 2137:A 122 SER 2HB :A 57 ARG 1HD : -0.408: 0
#sum2 ::4.68 clashscore : 4.68 clashscore B<40
#summary::2137 atoms:2137 atoms B<40:240225 potential dots:15010.0 A^2:10 bumps:10 bumps B<40:766.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2137:A 64 LEU 3HD2 :A 64 LEU C : -0.509: 0
: 2137:A 77 ILE HB :A 64 LEU 2HB : -0.491: 0
: 2137:A 127 GLY O :A 128 ARG 1HB : -0.453: 0
: 2137:A 62 ILE 2HG2 :A 63 LEU HG : -0.417: 0
: 2137:A 59 GLU 2HB :A 52 SER OG : -0.403: 0
: 2137:A 10 MET SD :A 65 ARG 1HB : -0.401: 0
#sum2 ::2.81 clashscore : 2.81 clashscore B<40
#summary::2137 atoms:2137 atoms B<40:240263 potential dots:15020.0 A^2:6 bumps:6 bumps B<40:787.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2137:A 77 ILE HB :A 64 LEU 2HB : -0.447: 0
: 2137:A 64 LEU 3HD2 :A 64 LEU C : -0.425: 0
: 2137:A 98 LEU HA :A 36 ILE 1HD1 : -0.434: 0
: 2137:A 66 ALA 2HB :A 98 LEU 1HD2 : -0.408: 0
: 2137:A 52 SER OG :A 59 GLU 2HB : -0.415: 0
#sum2 ::2.34 clashscore : 2.34 clashscore B<40
#summary::2137 atoms:2137 atoms B<40:240449 potential dots:15030.0 A^2:5 bumps:5 bumps B<40:850.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2137:A 35 ARG 1HG :A 26 GLN 1HG : -0.564: 0
: 2137:A 64 LEU 3HD2 :A 64 LEU C : -0.549: 0
: 2137:A 77 ILE HB :A 64 LEU 2HB : -0.471: 0
: 2137:A 98 LEU 2HD2 :A 77 ILE 2HG1 : -0.459: 0
: 2137:A 128 ARG O :A 128 ARG 2HG : -0.467: 0
: 2137:A 41 MET HA :A 105 ASN 2HB : -0.459: 0
: 2137:A 37 ASP 1HB :A 21 MET 1HG : -0.456: 0
: 2137:A 21 MET 1HB :A 24 PRO 2HG : -0.411: 0
: 2137:A 51 PHE 2HB :A 61 LEU HA : -0.444: 0
: 2137:A 61 LEU 2HD1 :A 51 PHE 2HB : -0.407: 0
: 2137:A 131 LEU 1HB :A 104 ARG 2HB : -0.427: 0
: 2137:A 102 LEU 1HB :A 109 VAL 1HG2 : -0.422: 0
: 2137:A 52 SER OG :A 59 GLU 2HB : -0.418: 0
: 2137:A 114 THR 1HG2 :A 7 ILE 1HG2 : -0.416: 0
#sum2 ::6.55 clashscore : 6.55 clashscore B<40
#summary::2137 atoms:2137 atoms B<40:240171 potential dots:15010.0 A^2:14 bumps:14 bumps B<40:821.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2137:A 64 LEU 3HD2 :A 64 LEU C : -0.643: 0
: 2137:A 77 ILE HB :A 64 LEU 2HB : -0.495: 0
: 2137:A 102 LEU 1HB :A 109 VAL 1HG2 : -0.457: 0
: 2137:A 111 VAL 2HG1 :A 115 LEU 1HB : -0.425: 0
: 2137:A 131 LEU 1HB :A 117 ARG 1HG : -0.420: 0
: 2137:A 66 ALA 2HB :A 98 LEU 1HD2 : -0.406: 0
#sum2 ::2.81 clashscore : 2.81 clashscore B<40
#summary::2137 atoms:2137 atoms B<40:240258 potential dots:15020.0 A^2:6 bumps:6 bumps B<40:794.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2137:A 64 LEU 3HD2 :A 64 LEU C : -0.479: 0
: 2137:A 77 ILE HB :A 64 LEU 2HB : -0.439: 0
: 2137:A 111 VAL 2HG1 :A 115 LEU 1HB : -0.471: 0
: 2137:A 58 LEU 2HB :A 88 ILE 2HG2 : -0.426: 0
: 2137:A 69 GLU 2HB :A 44 ASN 2HB : -0.416: 0
: 2137:A 53 VAL HB :A 5 ARG H : -0.412: 0
#sum2 ::2.81 clashscore : 2.81 clashscore B<40
#summary::2137 atoms:2137 atoms B<40:240249 potential dots:15020.0 A^2:6 bumps:6 bumps B<40:795.3 score
Output from PDB validation software
Summary from PDB validation
May. 10, 13:35:33 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 0.014 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 1.1 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
--------------------------------------------------------------------------------
-7.0 CYS A 33 2 N - CA - CB 103.5 110.5
-7.2 CYS A 33 5 N - CA - CB 103.3 110.5
-7.6 CYS A 33 7 N - CA - CB 102.9 110.5
-7.5 CYS A 33 8 N - CA - CB 103.0 110.5
-7.4 CYS A 33 10 N - CA - CB 103.1 110.5
-7.4 CYS A 33 11 N - CA - CB 103.1 110.5
-7.5 CYS A 33 14 N - CA - CB 103.0 110.5
-7.2 CYS A 33 15 N - CA - CB 103.3 110.5
-7.4 CYS A 33 17 N - CA - CB 103.1 110.5
-7.6 CYS A 33 18 N - CA - CB 102.9 110.5
-7.1 CYS A 33 20 N - CA - CB 103.4 110.5
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 GLN 26 1HE2
1 A GLN 26 2HE2
1 A GLN 38 1HE2
1 A GLN 38 2HE2
1 A ASN 44 1HD2
1 A ASN 44 2HD2
1 A ASN 50 1HD2
1 A ASN 50 2HD2
1 A ASN 93 1HD2
1 A ASN 93 2HD2
1 A ASN 105 1HD2
1 A ASN 105 2HD2
1 A ASN 107 1HD2
1 A ASN 107 2HD2
1 A GLN 116 1HE2
1 A GLN 116 2HE2
1 A ASN 124 1HD2
1 A ASN 124 2HD2
1 A ASN 126 1HD2
1 A ASN 126 2HD2
2 A GLN 26 1HE2
2 A GLN 26 2HE2
2 A GLN 38 1HE2
2 A GLN 38 2HE2
2 A ASN 44 1HD2
2 A ASN 44 2HD2
2 A ASN 50 1HD2
2 A ASN 50 2HD2
2 A ASN 93 1HD2
2 A ASN 93 2HD2
2 A ASN 105 1HD2
2 A ASN 105 2HD2
2 A ASN 107 1HD2
2 A ASN 107 2HD2
2 A GLN 116 1HE2
2 A GLN 116 2HE2
2 A ASN 124 1HD2
2 A ASN 124 2HD2
2 A ASN 126 1HD2
2 A ASN 126 2HD2
3 A GLN 26 1HE2
3 A GLN 26 2HE2
3 A GLN 38 1HE2
3 A GLN 38 2HE2
3 A ASN 44 1HD2
3 A ASN 44 2HD2
3 A ASN 50 1HD2
3 A ASN 50 2HD2
3 A ASN 93 1HD2
3 A ASN 93 2HD2
3 A ASN 105 1HD2
3 A ASN 105 2HD2
3 A ASN 107 1HD2
3 A ASN 107 2HD2
3 A GLN 116 1HE2
3 A GLN 116 2HE2
3 A ASN 124 1HD2
3 A ASN 124 2HD2
3 A ASN 126 1HD2
3 A ASN 126 2HD2
4 A GLN 26 1HE2
4 A GLN 26 2HE2
4 A GLN 38 1HE2
4 A GLN 38 2HE2
4 A ASN 44 1HD2
4 A ASN 44 2HD2
4 A ASN 50 1HD2
4 A ASN 50 2HD2
4 A ASN 93 1HD2
4 A ASN 93 2HD2
4 A ASN 105 1HD2
4 A ASN 105 2HD2
4 A ASN 107 1HD2
4 A ASN 107 2HD2
4 A GLN 116 1HE2
4 A GLN 116 2HE2
4 A ASN 124 1HD2
4 A ASN 124 2HD2
4 A ASN 126 1HD2
4 A ASN 126 2HD2
5 A GLN 26 1HE2
5 A GLN 26 2HE2
5 A GLN 38 1HE2
5 A GLN 38 2HE2
5 A ASN 44 1HD2
5 A ASN 44 2HD2
5 A ASN 50 1HD2
5 A ASN 50 2HD2
5 A ASN 93 1HD2
5 A ASN 93 2HD2
5 A ASN 105 1HD2
5 A ASN 105 2HD2
5 A ASN 107 1HD2
5 A ASN 107 2HD2
5 A GLN 116 1HE2
5 A GLN 116 2HE2
5 A ASN 124 1HD2
5 A ASN 124 2HD2
5 A ASN 126 1HD2
5 A ASN 126 2HD2
6 A GLN 26 1HE2
6 A GLN 26 2HE2
6 A GLN 38 1HE2
6 A GLN 38 2HE2
6 A ASN 44 1HD2
6 A ASN 44 2HD2
6 A ASN 50 1HD2
6 A ASN 50 2HD2
6 A ASN 93 1HD2
6 A ASN 93 2HD2
6 A ASN 105 1HD2
6 A ASN 105 2HD2
6 A ASN 107 1HD2
6 A ASN 107 2HD2
6 A GLN 116 1HE2
6 A GLN 116 2HE2
6 A ASN 124 1HD2
6 A ASN 124 2HD2
6 A ASN 126 1HD2
6 A ASN 126 2HD2
7 A GLN 26 1HE2
7 A GLN 26 2HE2
7 A GLN 38 1HE2
7 A GLN 38 2HE2
7 A ASN 44 1HD2
7 A ASN 44 2HD2
7 A ASN 50 1HD2
7 A ASN 50 2HD2
7 A ASN 93 1HD2
7 A ASN 93 2HD2
7 A ASN 105 1HD2
7 A ASN 105 2HD2
7 A ASN 107 1HD2
7 A ASN 107 2HD2
7 A GLN 116 1HE2
7 A GLN 116 2HE2
7 A ASN 124 1HD2
7 A ASN 124 2HD2
7 A ASN 126 1HD2
7 A ASN 126 2HD2
8 A GLN 26 1HE2
8 A GLN 26 2HE2
8 A GLN 38 1HE2
8 A GLN 38 2HE2
8 A ASN 44 1HD2
8 A ASN 44 2HD2
8 A ASN 50 1HD2
8 A ASN 50 2HD2
8 A ASN 93 1HD2
8 A ASN 93 2HD2
8 A ASN 105 1HD2
8 A ASN 105 2HD2
8 A ASN 107 1HD2
8 A ASN 107 2HD2
8 A GLN 116 1HE2
8 A GLN 116 2HE2
8 A ASN 124 1HD2
8 A ASN 124 2HD2
8 A ASN 126 1HD2
8 A ASN 126 2HD2
9 A GLN 26 1HE2
9 A GLN 26 2HE2
9 A GLN 38 1HE2
9 A GLN 38 2HE2
9 A ASN 44 1HD2
9 A ASN 44 2HD2
9 A ASN 50 1HD2
9 A ASN 50 2HD2
9 A ASN 93 1HD2
9 A ASN 93 2HD2
9 A ASN 105 1HD2
9 A ASN 105 2HD2
9 A ASN 107 1HD2
9 A ASN 107 2HD2
9 A GLN 116 1HE2
9 A GLN 116 2HE2
9 A ASN 124 1HD2
9 A ASN 124 2HD2
9 A ASN 126 1HD2
9 A ASN 126 2HD2
10 A GLN 26 1HE2
10 A GLN 26 2HE2
10 A GLN 38 1HE2
10 A GLN 38 2HE2
10 A ASN 44 1HD2
10 A ASN 44 2HD2
10 A ASN 50 1HD2
10 A ASN 50 2HD2
10 A ASN 93 1HD2
10 A ASN 93 2HD2
10 A ASN 105 1HD2
10 A ASN 105 2HD2
10 A ASN 107 1HD2
10 A ASN 107 2HD2
10 A GLN 116 1HE2
10 A GLN 116 2HE2
10 A ASN 124 1HD2
10 A ASN 124 2HD2
10 A ASN 126 1HD2
10 A ASN 126 2HD2
11 A GLN 26 1HE2
11 A GLN 26 2HE2
11 A GLN 38 1HE2
11 A GLN 38 2HE2
11 A ASN 44 1HD2
11 A ASN 44 2HD2
11 A ASN 50 1HD2
11 A ASN 50 2HD2
11 A ASN 93 1HD2
11 A ASN 93 2HD2
11 A ASN 105 1HD2
11 A ASN 105 2HD2
11 A ASN 107 1HD2
11 A ASN 107 2HD2
11 A GLN 116 1HE2
11 A GLN 116 2HE2
11 A ASN 124 1HD2
11 A ASN 124 2HD2
11 A ASN 126 1HD2
11 A ASN 126 2HD2
12 A GLN 26 1HE2
12 A GLN 26 2HE2
12 A GLN 38 1HE2
12 A GLN 38 2HE2
12 A ASN 44 1HD2
12 A ASN 44 2HD2
12 A ASN 50 1HD2
12 A ASN 50 2HD2
12 A ASN 93 1HD2
12 A ASN 93 2HD2
12 A ASN 105 1HD2
12 A ASN 105 2HD2
12 A ASN 107 1HD2
12 A ASN 107 2HD2
12 A GLN 116 1HE2
12 A GLN 116 2HE2
12 A ASN 124 1HD2
12 A ASN 124 2HD2
12 A ASN 126 1HD2
12 A ASN 126 2HD2
13 A GLN 26 1HE2
13 A GLN 26 2HE2
13 A GLN 38 1HE2
13 A GLN 38 2HE2
13 A ASN 44 1HD2
13 A ASN 44 2HD2
13 A ASN 50 1HD2
13 A ASN 50 2HD2
13 A ASN 93 1HD2
13 A ASN 93 2HD2
13 A ASN 105 1HD2
13 A ASN 105 2HD2
13 A ASN 107 1HD2
13 A ASN 107 2HD2
13 A GLN 116 1HE2
13 A GLN 116 2HE2
13 A ASN 124 1HD2
13 A ASN 124 2HD2
13 A ASN 126 1HD2
13 A ASN 126 2HD2
14 A GLN 26 1HE2
14 A GLN 26 2HE2
14 A GLN 38 1HE2
14 A GLN 38 2HE2
14 A ASN 44 1HD2
14 A ASN 44 2HD2
14 A ASN 50 1HD2
14 A ASN 50 2HD2
14 A ASN 93 1HD2
14 A ASN 93 2HD2
14 A ASN 105 1HD2
14 A ASN 105 2HD2
14 A ASN 107 1HD2
14 A ASN 107 2HD2
14 A GLN 116 1HE2
14 A GLN 116 2HE2
14 A ASN 124 1HD2
14 A ASN 124 2HD2
14 A ASN 126 1HD2
14 A ASN 126 2HD2
15 A GLN 26 1HE2
15 A GLN 26 2HE2
15 A GLN 38 1HE2
15 A GLN 38 2HE2
15 A ASN 44 1HD2
15 A ASN 44 2HD2
15 A ASN 50 1HD2
15 A ASN 50 2HD2
15 A ASN 93 1HD2
15 A ASN 93 2HD2
15 A ASN 105 1HD2
15 A ASN 105 2HD2
15 A ASN 107 1HD2
15 A ASN 107 2HD2
15 A GLN 116 1HE2
15 A GLN 116 2HE2
15 A ASN 124 1HD2
15 A ASN 124 2HD2
15 A ASN 126 1HD2
15 A ASN 126 2HD2
16 A GLN 26 1HE2
16 A GLN 26 2HE2
16 A GLN 38 1HE2
16 A GLN 38 2HE2
16 A ASN 44 1HD2
16 A ASN 44 2HD2
16 A ASN 50 1HD2
16 A ASN 50 2HD2
16 A ASN 93 1HD2
16 A ASN 93 2HD2
16 A ASN 105 1HD2
16 A ASN 105 2HD2
16 A ASN 107 1HD2
16 A ASN 107 2HD2
16 A GLN 116 1HE2
16 A GLN 116 2HE2
16 A ASN 124 1HD2
16 A ASN 124 2HD2
16 A ASN 126 1HD2
16 A ASN 126 2HD2
17 A GLN 26 1HE2
17 A GLN 26 2HE2
17 A GLN 38 1HE2
17 A GLN 38 2HE2
17 A ASN 44 1HD2
17 A ASN 44 2HD2
17 A ASN 50 1HD2
17 A ASN 50 2HD2
17 A ASN 93 1HD2
17 A ASN 93 2HD2
17 A ASN 105 1HD2
17 A ASN 105 2HD2
17 A ASN 107 1HD2
17 A ASN 107 2HD2
17 A GLN 116 1HE2
17 A GLN 116 2HE2
17 A ASN 124 1HD2
17 A ASN 124 2HD2
17 A ASN 126 1HD2
17 A ASN 126 2HD2
18 A GLN 26 1HE2
18 A GLN 26 2HE2
18 A GLN 38 1HE2
18 A GLN 38 2HE2
18 A ASN 44 1HD2
18 A ASN 44 2HD2
18 A ASN 50 1HD2
18 A ASN 50 2HD2
18 A ASN 93 1HD2
18 A ASN 93 2HD2
18 A ASN 105 1HD2
18 A ASN 105 2HD2
18 A ASN 107 1HD2
18 A ASN 107 2HD2
18 A GLN 116 1HE2
18 A GLN 116 2HE2
18 A ASN 124 1HD2
18 A ASN 124 2HD2
18 A ASN 126 1HD2
18 A ASN 126 2HD2
19 A GLN 26 1HE2
19 A GLN 26 2HE2
19 A GLN 38 1HE2
19 A GLN 38 2HE2
19 A ASN 44 1HD2
19 A ASN 44 2HD2
19 A ASN 50 1HD2
19 A ASN 50 2HD2
19 A ASN 93 1HD2
19 A ASN 93 2HD2
19 A ASN 105 1HD2
19 A ASN 105 2HD2
19 A ASN 107 1HD2
19 A ASN 107 2HD2
19 A GLN 116 1HE2
19 A GLN 116 2HE2
19 A ASN 124 1HD2
19 A ASN 124 2HD2
19 A ASN 126 1HD2
19 A ASN 126 2HD2
20 A GLN 26 1HE2
20 A GLN 26 2HE2
20 A GLN 38 1HE2
20 A GLN 38 2HE2
20 A ASN 44 1HD2
20 A ASN 44 2HD2
20 A ASN 50 1HD2
20 A ASN 50 2HD2
20 A ASN 93 1HD2
20 A ASN 93 2HD2
20 A ASN 105 1HD2
20 A ASN 105 2HD2
20 A ASN 107 1HD2
20 A ASN 107 2HD2
20 A GLN 116 1HE2
20 A GLN 116 2HE2
20 A ASN 124 1HD2
20 A ASN 124 2HD2
20 A ASN 126 1HD2
20 A ASN 126 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-133 )
PRO( 1 A-132 )
ALA( 1 A-131 )
SER( 1 A-130 )
ARG( 1 A-129 )
TYR( 1 A-128 )
ILE( 1 A-127 )
THR( 1 A-126 )
ASP( 1 A-125 )
MET( 1 A-124 )
THR( 1 A-123 )
ILE( 1 A-122 )
GLU( 1 A-121 )
GLU( 1 A-120 )
LEU( 1 A-119 )
SER( 1 A-118 )
ARG( 1 A-117 )
ASP( 1 A-116 )
TRP( 1 A-115 )
PHE( 1 A-114 )
MET( 1 A-113 )
LEU( 1 A-112 )
MET( 1 A-111 )
PRO( 1 A-110 )
LYS( 1 A-109 )
GLN( 1 A-108 )
LYS( 1 A-107 )
VAL( 1 A-106 )
GLU( 1 A-105 )
GLY( 1 A-104 )
PRO( 1 A-103 )
LEU( 1 A-102 )
CYS( 1 A-101 )
ILE( 1 A-100 )
ARG( 1 A -99 )
ILE( 1 A -98 )
ASP( 1 A -97 )
GLN( 1 A -96 )
ALA( 1 A -95 )
ILE( 1 A -94 )
MET( 1 A -93 )
ASP( 1 A -92 )
LYS( 1 A -91 )
ASN( 1 A -90 )
ILE( 1 A -89 )
MET( 1 A -88 )
LEU( 1 A -87 )
LYS( 1 A -86 )
ALA( 1 A -85 )
ASN( 1 A -84 )
PHE( 1 A -83 )
SER( 1 A -82 )
VAL( 1 A -81 )
ILE( 1 A -80 )
PHE( 1 A -79 )
ASP( 1 A -78 )
ARG( 1 A -77 )
LEU( 1 A -76 )
GLU( 1 A -75 )
THR( 1 A -74 )
LEU( 1 A -73 )
ILE( 1 A -72 )
LEU( 1 A -71 )
LEU( 1 A -70 )
ARG( 1 A -69 )
ALA( 1 A -68 )
PHE( 1 A -67 )
THR( 1 A -66 )
GLU( 1 A -65 )
GLU( 1 A -64 )
GLY( 1 A -63 )
ALA( 1 A -62 )
ILE( 1 A -61 )
VAL( 1 A -60 )
GLY( 1 A -59 )
GLU( 1 A -58 )
ILE( 1 A -57 )
SER( 1 A -56 )
PRO( 1 A -55 )
LEU( 1 A -54 )
PRO( 1 A -53 )
SER( 1 A -52 )
PHE( 1 A -51 )
PRO( 1 A -50 )
GLY( 1 A -49 )
HIS( 1 A -48 )
THR( 1 A -47 )
ILE( 1 A -46 )
GLU( 1 A -45 )
ASP( 1 A -44 )
VAL( 1 A -43 )
LYS( 1 A -42 )
ASN( 1 A -41 )
ALA( 1 A -40 )
ILE( 1 A -39 )
GLY( 1 A -38 )
VAL( 1 A -37 )
LEU( 1 A -36 )
ILE( 1 A -35 )
GLY( 1 A -34 )
GLY( 1 A -33 )
LEU( 1 A -32 )
GLU( 1 A -31 )
ARG( 1 A -30 )
ASN( 1 A -29 )
ASP( 1 A -28 )
ASN( 1 A -27 )
THR( 1 A -26 )
VAL( 1 A -25 )
ARG( 1 A -24 )
VAL( 1 A -23 )
SER( 1 A -22 )
LYS( 1 A -21 )
THR( 1 A -20 )
LEU( 1 A -19 )
GLN( 1 A -18 )
ARG( 1 A -17 )
PHE( 1 A -16 )
ALA( 1 A -15 )
TRP( 1 A -14 )
GLY( 1 A -13 )
SER( 1 A -12 )
SER( 1 A -11 )
ASN( 1 A -10 )
GLU( 1 A -9 )
ASN( 1 A -8 )
GLY( 1 A -7 )
ARG( 1 A -6 )
PRO( 1 A -5 )
PRO( 1 A -4 )
LEU( 1 A -3 )
THR( 1 A -2 )
LEU( 1 A -1 )
GLU( 1 A 0 )
MET( 2 A-133 )
PRO( 2 A-132 )
ALA( 2 A-131 )
SER( 2 A-130 )
ARG( 2 A-129 )
TYR( 2 A-128 )
ILE( 2 A-127 )
THR( 2 A-126 )
ASP( 2 A-125 )
MET( 2 A-124 )
THR( 2 A-123 )
ILE( 2 A-122 )
GLU( 2 A-121 )
GLU( 2 A-120 )
LEU( 2 A-119 )
SER( 2 A-118 )
ARG( 2 A-117 )
ASP( 2 A-116 )
TRP( 2 A-115 )
PHE( 2 A-114 )
MET( 2 A-113 )
LEU( 2 A-112 )
MET( 2 A-111 )
PRO( 2 A-110 )
LYS( 2 A-109 )
GLN( 2 A-108 )
LYS( 2 A-107 )
VAL( 2 A-106 )
GLU( 2 A-105 )
GLY( 2 A-104 )
PRO( 2 A-103 )
LEU( 2 A-102 )
CYS( 2 A-101 )
ILE( 2 A-100 )
ARG( 2 A -99 )
ILE( 2 A -98 )
ASP( 2 A -97 )
GLN( 2 A -96 )
ALA( 2 A -95 )
ILE( 2 A -94 )
MET( 2 A -93 )
ASP( 2 A -92 )
LYS( 2 A -91 )
ASN( 2 A -90 )
ILE( 2 A -89 )
MET( 2 A -88 )
LEU( 2 A -87 )
LYS( 2 A -86 )
ALA( 2 A -85 )
ASN( 2 A -84 )
PHE( 2 A -83 )
SER( 2 A -82 )
VAL( 2 A -81 )
ILE( 2 A -80 )
PHE( 2 A -79 )
ASP( 2 A -78 )
ARG( 2 A -77 )
LEU( 2 A -76 )
GLU( 2 A -75 )
THR( 2 A -74 )
LEU( 2 A -73 )
ILE( 2 A -72 )
LEU( 2 A -71 )
LEU( 2 A -70 )
ARG( 2 A -69 )
ALA( 2 A -68 )
PHE( 2 A -67 )
THR( 2 A -66 )
GLU( 2 A -65 )
GLU( 2 A -64 )
GLY( 2 A -63 )
ALA( 2 A -62 )
ILE( 2 A -61 )
VAL( 2 A -60 )
GLY( 2 A -59 )
GLU( 2 A -58 )
ILE( 2 A -57 )
SER( 2 A -56 )
PRO( 2 A -55 )
LEU( 2 A -54 )
PRO( 2 A -53 )
SER( 2 A -52 )
PHE( 2 A -51 )
PRO( 2 A -50 )
GLY( 2 A -49 )
HIS( 2 A -48 )
THR( 2 A -47 )
ILE( 2 A -46 )
GLU( 2 A -45 )
ASP( 2 A -44 )
VAL( 2 A -43 )
LYS( 2 A -42 )
ASN( 2 A -41 )
ALA( 2 A -40 )
ILE( 2 A -39 )
GLY( 2 A -38 )
VAL( 2 A -37 )
LEU( 2 A -36 )
ILE( 2 A -35 )
GLY( 2 A -34 )
GLY( 2 A -33 )
LEU( 2 A -32 )
GLU( 2 A -31 )
ARG( 2 A -30 )
ASN( 2 A -29 )
ASP( 2 A -28 )
ASN( 2 A -27 )
THR( 2 A -26 )
VAL( 2 A -25 )
ARG( 2 A -24 )
VAL( 2 A -23 )
SER( 2 A -22 )
LYS( 2 A -21 )
THR( 2 A -20 )
LEU( 2 A -19 )
GLN( 2 A -18 )
ARG( 2 A -17 )
PHE( 2 A -16 )
ALA( 2 A -15 )
TRP( 2 A -14 )
GLY( 2 A -13 )
SER( 2 A -12 )
SER( 2 A -11 )
ASN( 2 A -10 )
GLU( 2 A -9 )
ASN( 2 A -8 )
GLY( 2 A -7 )
ARG( 2 A -6 )
PRO( 2 A -5 )
PRO( 2 A -4 )
LEU( 2 A -3 )
THR( 2 A -2 )
LEU( 2 A -1 )
GLU( 2 A 0 )
MET( 3 A-133 )
PRO( 3 A-132 )
ALA( 3 A-131 )
SER( 3 A-130 )
ARG( 3 A-129 )
TYR( 3 A-128 )
ILE( 3 A-127 )
THR( 3 A-126 )
ASP( 3 A-125 )
MET( 3 A-124 )
THR( 3 A-123 )
ILE( 3 A-122 )
GLU( 3 A-121 )
GLU( 3 A-120 )
LEU( 3 A-119 )
SER( 3 A-118 )
ARG( 3 A-117 )
ASP( 3 A-116 )
TRP( 3 A-115 )
PHE( 3 A-114 )
MET( 3 A-113 )
LEU( 3 A-112 )
MET( 3 A-111 )
PRO( 3 A-110 )
LYS( 3 A-109 )
GLN( 3 A-108 )
LYS( 3 A-107 )
VAL( 3 A-106 )
GLU( 3 A-105 )
GLY( 3 A-104 )
PRO( 3 A-103 )
LEU( 3 A-102 )
CYS( 3 A-101 )
ILE( 3 A-100 )
ARG( 3 A -99 )
ILE( 3 A -98 )
ASP( 3 A -97 )
GLN( 3 A -96 )
ALA( 3 A -95 )
ILE( 3 A -94 )
MET( 3 A -93 )
ASP( 3 A -92 )
LYS( 3 A -91 )
ASN( 3 A -90 )
ILE( 3 A -89 )
MET( 3 A -88 )
LEU( 3 A -87 )
LYS( 3 A -86 )
ALA( 3 A -85 )
ASN( 3 A -84 )
PHE( 3 A -83 )
SER( 3 A -82 )
VAL( 3 A -81 )
ILE( 3 A -80 )
PHE( 3 A -79 )
ASP( 3 A -78 )
ARG( 3 A -77 )
LEU( 3 A -76 )
GLU( 3 A -75 )
THR( 3 A -74 )
LEU( 3 A -73 )
ILE( 3 A -72 )
LEU( 3 A -71 )
LEU( 3 A -70 )
ARG( 3 A -69 )
ALA( 3 A -68 )
PHE( 3 A -67 )
THR( 3 A -66 )
GLU( 3 A -65 )
GLU( 3 A -64 )
GLY( 3 A -63 )
ALA( 3 A -62 )
ILE( 3 A -61 )
VAL( 3 A -60 )
GLY( 3 A -59 )
GLU( 3 A -58 )
ILE( 3 A -57 )
SER( 3 A -56 )
PRO( 3 A -55 )
LEU( 3 A -54 )
PRO( 3 A -53 )
SER( 3 A -52 )
PHE( 3 A -51 )
PRO( 3 A -50 )
GLY( 3 A -49 )
HIS( 3 A -48 )
THR( 3 A -47 )
ILE( 3 A -46 )
GLU( 3 A -45 )
ASP( 3 A -44 )
VAL( 3 A -43 )
LYS( 3 A -42 )
ASN( 3 A -41 )
ALA( 3 A -40 )
ILE( 3 A -39 )
GLY( 3 A -38 )
VAL( 3 A -37 )
LEU( 3 A -36 )
ILE( 3 A -35 )
GLY( 3 A -34 )
GLY( 3 A -33 )
LEU( 3 A -32 )
GLU( 3 A -31 )
ARG( 3 A -30 )
ASN( 3 A -29 )
ASP( 3 A -28 )
ASN( 3 A -27 )
THR( 3 A -26 )
VAL( 3 A -25 )
ARG( 3 A -24 )
VAL( 3 A -23 )
SER( 3 A -22 )
LYS( 3 A -21 )
THR( 3 A -20 )
LEU( 3 A -19 )
GLN( 3 A -18 )
ARG( 3 A -17 )
PHE( 3 A -16 )
ALA( 3 A -15 )
TRP( 3 A -14 )
GLY( 3 A -13 )
SER( 3 A -12 )
SER( 3 A -11 )
ASN( 3 A -10 )
GLU( 3 A -9 )
ASN( 3 A -8 )
GLY( 3 A -7 )
ARG( 3 A -6 )
PRO( 3 A -5 )
PRO( 3 A -4 )
LEU( 3 A -3 )
THR( 3 A -2 )
LEU( 3 A -1 )
GLU( 3 A 0 )
MET( 4 A-133 )
PRO( 4 A-132 )
ALA( 4 A-131 )
SER( 4 A-130 )
ARG( 4 A-129 )
TYR( 4 A-128 )
ILE( 4 A-127 )
THR( 4 A-126 )
ASP( 4 A-125 )
MET( 4 A-124 )
THR( 4 A-123 )
ILE( 4 A-122 )
GLU( 4 A-121 )
GLU( 4 A-120 )
LEU( 4 A-119 )
SER( 4 A-118 )
ARG( 4 A-117 )
ASP( 4 A-116 )
TRP( 4 A-115 )
PHE( 4 A-114 )
MET( 4 A-113 )
LEU( 4 A-112 )
MET( 4 A-111 )
PRO( 4 A-110 )
LYS( 4 A-109 )
GLN( 4 A-108 )
LYS( 4 A-107 )
VAL( 4 A-106 )
GLU( 4 A-105 )
GLY( 4 A-104 )
PRO( 4 A-103 )
LEU( 4 A-102 )
CYS( 4 A-101 )
ILE( 4 A-100 )
ARG( 4 A -99 )
ILE( 4 A -98 )
ASP( 4 A -97 )
GLN( 4 A -96 )
ALA( 4 A -95 )
ILE( 4 A -94 )
MET( 4 A -93 )
ASP( 4 A -92 )
LYS( 4 A -91 )
ASN( 4 A -90 )
ILE( 4 A -89 )
MET( 4 A -88 )
LEU( 4 A -87 )
LYS( 4 A -86 )
ALA( 4 A -85 )
ASN( 4 A -84 )
PHE( 4 A -83 )
SER( 4 A -82 )
VAL( 4 A -81 )
ILE( 4 A -80 )
PHE( 4 A -79 )
ASP( 4 A -78 )
ARG( 4 A -77 )
LEU( 4 A -76 )
GLU( 4 A -75 )
THR( 4 A -74 )
LEU( 4 A -73 )
ILE( 4 A -72 )
LEU( 4 A -71 )
LEU( 4 A -70 )
ARG( 4 A -69 )
ALA( 4 A -68 )
PHE( 4 A -67 )
THR( 4 A -66 )
GLU( 4 A -65 )
GLU( 4 A -64 )
GLY( 4 A -63 )
ALA( 4 A -62 )
ILE( 4 A -61 )
VAL( 4 A -60 )
GLY( 4 A -59 )
GLU( 4 A -58 )
ILE( 4 A -57 )
SER( 4 A -56 )
PRO( 4 A -55 )
LEU( 4 A -54 )
PRO( 4 A -53 )
SER( 4 A -52 )
PHE( 4 A -51 )
PRO( 4 A -50 )
GLY( 4 A -49 )
HIS( 4 A -48 )
THR( 4 A -47 )
ILE( 4 A -46 )
GLU( 4 A -45 )
ASP( 4 A -44 )
VAL( 4 A -43 )
LYS( 4 A -42 )
ASN( 4 A -41 )
ALA( 4 A -40 )
ILE( 4 A -39 )
GLY( 4 A -38 )
VAL( 4 A -37 )
LEU( 4 A -36 )
ILE( 4 A -35 )
GLY( 4 A -34 )
GLY( 4 A -33 )
LEU( 4 A -32 )
GLU( 4 A -31 )
ARG( 4 A -30 )
ASN( 4 A -29 )
ASP( 4 A -28 )
ASN( 4 A -27 )
THR( 4 A -26 )
VAL( 4 A -25 )
ARG( 4 A -24 )
VAL( 4 A -23 )
SER( 4 A -22 )
LYS( 4 A -21 )
THR( 4 A -20 )
LEU( 4 A -19 )
GLN( 4 A -18 )
ARG( 4 A -17 )
PHE( 4 A -16 )
ALA( 4 A -15 )
TRP( 4 A -14 )
GLY( 4 A -13 )
SER( 4 A -12 )
SER( 4 A -11 )
ASN( 4 A -10 )
GLU( 4 A -9 )
ASN( 4 A -8 )
GLY( 4 A -7 )
ARG( 4 A -6 )
PRO( 4 A -5 )
PRO( 4 A -4 )
LEU( 4 A -3 )
THR( 4 A -2 )
LEU( 4 A -1 )
GLU( 4 A 0 )
MET( 5 A-133 )
PRO( 5 A-132 )
ALA( 5 A-131 )
SER( 5 A-130 )
ARG( 5 A-129 )
TYR( 5 A-128 )
ILE( 5 A-127 )
THR( 5 A-126 )
ASP( 5 A-125 )
MET( 5 A-124 )
THR( 5 A-123 )
ILE( 5 A-122 )
GLU( 5 A-121 )
GLU( 5 A-120 )
LEU( 5 A-119 )
SER( 5 A-118 )
ARG( 5 A-117 )
ASP( 5 A-116 )
TRP( 5 A-115 )
PHE( 5 A-114 )
MET( 5 A-113 )
LEU( 5 A-112 )
MET( 5 A-111 )
PRO( 5 A-110 )
LYS( 5 A-109 )
GLN( 5 A-108 )
LYS( 5 A-107 )
VAL( 5 A-106 )
GLU( 5 A-105 )
GLY( 5 A-104 )
PRO( 5 A-103 )
LEU( 5 A-102 )
CYS( 5 A-101 )
ILE( 5 A-100 )
ARG( 5 A -99 )
ILE( 5 A -98 )
ASP( 5 A -97 )
GLN( 5 A -96 )
ALA( 5 A -95 )
ILE( 5 A -94 )
MET( 5 A -93 )
ASP( 5 A -92 )
LYS( 5 A -91 )
ASN( 5 A -90 )
ILE( 5 A -89 )
MET( 5 A -88 )
LEU( 5 A -87 )
LYS( 5 A -86 )
ALA( 5 A -85 )
ASN( 5 A -84 )
PHE( 5 A -83 )
SER( 5 A -82 )
VAL( 5 A -81 )
ILE( 5 A -80 )
PHE( 5 A -79 )
ASP( 5 A -78 )
ARG( 5 A -77 )
LEU( 5 A -76 )
GLU( 5 A -75 )
THR( 5 A -74 )
LEU( 5 A -73 )
ILE( 5 A -72 )
LEU( 5 A -71 )
LEU( 5 A -70 )
ARG( 5 A -69 )
ALA( 5 A -68 )
PHE( 5 A -67 )
THR( 5 A -66 )
GLU( 5 A -65 )
GLU( 5 A -64 )
GLY( 5 A -63 )
ALA( 5 A -62 )
ILE( 5 A -61 )
VAL( 5 A -60 )
GLY( 5 A -59 )
GLU( 5 A -58 )
ILE( 5 A -57 )
SER( 5 A -56 )
PRO( 5 A -55 )
LEU( 5 A -54 )
PRO( 5 A -53 )
SER( 5 A -52 )
PHE( 5 A -51 )
PRO( 5 A -50 )
GLY( 5 A -49 )
HIS( 5 A -48 )
THR( 5 A -47 )
ILE( 5 A -46 )
GLU( 5 A -45 )
ASP( 5 A -44 )
VAL( 5 A -43 )
LYS( 5 A -42 )
ASN( 5 A -41 )
ALA( 5 A -40 )
ILE( 5 A -39 )
GLY( 5 A -38 )
VAL( 5 A -37 )
LEU( 5 A -36 )
ILE( 5 A -35 )
GLY( 5 A -34 )
GLY( 5 A -33 )
LEU( 5 A -32 )
GLU( 5 A -31 )
ARG( 5 A -30 )
ASN( 5 A -29 )
ASP( 5 A -28 )
ASN( 5 A -27 )
THR( 5 A -26 )
VAL( 5 A -25 )
ARG( 5 A -24 )
VAL( 5 A -23 )
SER( 5 A -22 )
LYS( 5 A -21 )
THR( 5 A -20 )
LEU( 5 A -19 )
GLN( 5 A -18 )
ARG( 5 A -17 )
PHE( 5 A -16 )
ALA( 5 A -15 )
TRP( 5 A -14 )
GLY( 5 A -13 )
SER( 5 A -12 )
SER( 5 A -11 )
ASN( 5 A -10 )
GLU( 5 A -9 )
ASN( 5 A -8 )
GLY( 5 A -7 )
ARG( 5 A -6 )
PRO( 5 A -5 )
PRO( 5 A -4 )
LEU( 5 A -3 )
THR( 5 A -2 )
LEU( 5 A -1 )
GLU( 5 A 0 )
MET( 6 A-133 )
PRO( 6 A-132 )
ALA( 6 A-131 )
SER( 6 A-130 )
ARG( 6 A-129 )
TYR( 6 A-128 )
ILE( 6 A-127 )
THR( 6 A-126 )
ASP( 6 A-125 )
MET( 6 A-124 )
THR( 6 A-123 )
ILE( 6 A-122 )
GLU( 6 A-121 )
GLU( 6 A-120 )
LEU( 6 A-119 )
SER( 6 A-118 )
ARG( 6 A-117 )
ASP( 6 A-116 )
TRP( 6 A-115 )
PHE( 6 A-114 )
MET( 6 A-113 )
LEU( 6 A-112 )
MET( 6 A-111 )
PRO( 6 A-110 )
LYS( 6 A-109 )
GLN( 6 A-108 )
LYS( 6 A-107 )
VAL( 6 A-106 )
GLU( 6 A-105 )
GLY( 6 A-104 )
PRO( 6 A-103 )
LEU( 6 A-102 )
CYS( 6 A-101 )
ILE( 6 A-100 )
ARG( 6 A -99 )
ILE( 6 A -98 )
ASP( 6 A -97 )
GLN( 6 A -96 )
ALA( 6 A -95 )
ILE( 6 A -94 )
MET( 6 A -93 )
ASP( 6 A -92 )
LYS( 6 A -91 )
ASN( 6 A -90 )
ILE( 6 A -89 )
MET( 6 A -88 )
LEU( 6 A -87 )
LYS( 6 A -86 )
ALA( 6 A -85 )
ASN( 6 A -84 )
PHE( 6 A -83 )
SER( 6 A -82 )
VAL( 6 A -81 )
ILE( 6 A -80 )
PHE( 6 A -79 )
ASP( 6 A -78 )
ARG( 6 A -77 )
LEU( 6 A -76 )
GLU( 6 A -75 )
THR( 6 A -74 )
LEU( 6 A -73 )
ILE( 6 A -72 )
LEU( 6 A -71 )
LEU( 6 A -70 )
ARG( 6 A -69 )
ALA( 6 A -68 )
PHE( 6 A -67 )
THR( 6 A -66 )
GLU( 6 A -65 )
GLU( 6 A -64 )
GLY( 6 A -63 )
ALA( 6 A -62 )
ILE( 6 A -61 )
VAL( 6 A -60 )
GLY( 6 A -59 )
GLU( 6 A -58 )
ILE( 6 A -57 )
SER( 6 A -56 )
PRO( 6 A -55 )
LEU( 6 A -54 )
PRO( 6 A -53 )
SER( 6 A -52 )
PHE( 6 A -51 )
PRO( 6 A -50 )
GLY( 6 A -49 )
HIS( 6 A -48 )
THR( 6 A -47 )
ILE( 6 A -46 )
GLU( 6 A -45 )
ASP( 6 A -44 )
VAL( 6 A -43 )
LYS( 6 A -42 )
ASN( 6 A -41 )
ALA( 6 A -40 )
ILE( 6 A -39 )
GLY( 6 A -38 )
VAL( 6 A -37 )
LEU( 6 A -36 )
ILE( 6 A -35 )
GLY( 6 A -34 )
GLY( 6 A -33 )
LEU( 6 A -32 )
GLU( 6 A -31 )
ARG( 6 A -30 )
ASN( 6 A -29 )
ASP( 6 A -28 )
ASN( 6 A -27 )
THR( 6 A -26 )
VAL( 6 A -25 )
ARG( 6 A -24 )
VAL( 6 A -23 )
SER( 6 A -22 )
LYS( 6 A -21 )
THR( 6 A -20 )
LEU( 6 A -19 )
GLN( 6 A -18 )
ARG( 6 A -17 )
PHE( 6 A -16 )
ALA( 6 A -15 )
TRP( 6 A -14 )
GLY( 6 A -13 )
SER( 6 A -12 )
SER( 6 A -11 )
ASN( 6 A -10 )
GLU( 6 A -9 )
ASN( 6 A -8 )
GLY( 6 A -7 )
ARG( 6 A -6 )
PRO( 6 A -5 )
PRO( 6 A -4 )
LEU( 6 A -3 )
THR( 6 A -2 )
LEU( 6 A -1 )
GLU( 6 A 0 )
MET( 7 A-133 )
PRO( 7 A-132 )
ALA( 7 A-131 )
SER( 7 A-130 )
ARG( 7 A-129 )
TYR( 7 A-128 )
ILE( 7 A-127 )
THR( 7 A-126 )
ASP( 7 A-125 )
MET( 7 A-124 )
THR( 7 A-123 )
ILE( 7 A-122 )
GLU( 7 A-121 )
GLU( 7 A-120 )
LEU( 7 A-119 )
SER( 7 A-118 )
ARG( 7 A-117 )
ASP( 7 A-116 )
TRP( 7 A-115 )
PHE( 7 A-114 )
MET( 7 A-113 )
LEU( 7 A-112 )
MET( 7 A-111 )
PRO( 7 A-110 )
LYS( 7 A-109 )
GLN( 7 A-108 )
LYS( 7 A-107 )
VAL( 7 A-106 )
GLU( 7 A-105 )
GLY( 7 A-104 )
PRO( 7 A-103 )
LEU( 7 A-102 )
CYS( 7 A-101 )
ILE( 7 A-100 )
ARG( 7 A -99 )
ILE( 7 A -98 )
ASP( 7 A -97 )
GLN( 7 A -96 )
ALA( 7 A -95 )
ILE( 7 A -94 )
MET( 7 A -93 )
ASP( 7 A -92 )
LYS( 7 A -91 )
ASN( 7 A -90 )
ILE( 7 A -89 )
MET( 7 A -88 )
LEU( 7 A -87 )
LYS( 7 A -86 )
ALA( 7 A -85 )
ASN( 7 A -84 )
PHE( 7 A -83 )
SER( 7 A -82 )
VAL( 7 A -81 )
ILE( 7 A -80 )
PHE( 7 A -79 )
ASP( 7 A -78 )
ARG( 7 A -77 )
LEU( 7 A -76 )
GLU( 7 A -75 )
THR( 7 A -74 )
LEU( 7 A -73 )
ILE( 7 A -72 )
LEU( 7 A -71 )
LEU( 7 A -70 )
ARG( 7 A -69 )
ALA( 7 A -68 )
PHE( 7 A -67 )
THR( 7 A -66 )
GLU( 7 A -65 )
GLU( 7 A -64 )
GLY( 7 A -63 )
ALA( 7 A -62 )
ILE( 7 A -61 )
VAL( 7 A -60 )
GLY( 7 A -59 )
GLU( 7 A -58 )
ILE( 7 A -57 )
SER( 7 A -56 )
PRO( 7 A -55 )
LEU( 7 A -54 )
PRO( 7 A -53 )
SER( 7 A -52 )
PHE( 7 A -51 )
PRO( 7 A -50 )
GLY( 7 A -49 )
HIS( 7 A -48 )
THR( 7 A -47 )
ILE( 7 A -46 )
GLU( 7 A -45 )
ASP( 7 A -44 )
VAL( 7 A -43 )
LYS( 7 A -42 )
ASN( 7 A -41 )
ALA( 7 A -40 )
ILE( 7 A -39 )
GLY( 7 A -38 )
VAL( 7 A -37 )
LEU( 7 A -36 )
ILE( 7 A -35 )
GLY( 7 A -34 )
GLY( 7 A -33 )
LEU( 7 A -32 )
GLU( 7 A -31 )
ARG( 7 A -30 )
ASN( 7 A -29 )
ASP( 7 A -28 )
ASN( 7 A -27 )
THR( 7 A -26 )
VAL( 7 A -25 )
ARG( 7 A -24 )
VAL( 7 A -23 )
SER( 7 A -22 )
LYS( 7 A -21 )
THR( 7 A -20 )
LEU( 7 A -19 )
GLN( 7 A -18 )
ARG( 7 A -17 )
PHE( 7 A -16 )
ALA( 7 A -15 )
TRP( 7 A -14 )
GLY( 7 A -13 )
SER( 7 A -12 )
SER( 7 A -11 )
ASN( 7 A -10 )
GLU( 7 A -9 )
ASN( 7 A -8 )
GLY( 7 A -7 )
ARG( 7 A -6 )
PRO( 7 A -5 )
PRO( 7 A -4 )
LEU( 7 A -3 )
THR( 7 A -2 )
LEU( 7 A -1 )
GLU( 7 A 0 )
MET( 8 A-133 )
PRO( 8 A-132 )
ALA( 8 A-131 )
SER( 8 A-130 )
ARG( 8 A-129 )
TYR( 8 A-128 )
ILE( 8 A-127 )
THR( 8 A-126 )
ASP( 8 A-125 )
MET( 8 A-124 )
THR( 8 A-123 )
ILE( 8 A-122 )
GLU( 8 A-121 )
GLU( 8 A-120 )
LEU( 8 A-119 )
SER( 8 A-118 )
ARG( 8 A-117 )
ASP( 8 A-116 )
TRP( 8 A-115 )
PHE( 8 A-114 )
MET( 8 A-113 )
LEU( 8 A-112 )
MET( 8 A-111 )
PRO( 8 A-110 )
LYS( 8 A-109 )
GLN( 8 A-108 )
LYS( 8 A-107 )
VAL( 8 A-106 )
GLU( 8 A-105 )
GLY( 8 A-104 )
PRO( 8 A-103 )
LEU( 8 A-102 )
CYS( 8 A-101 )
ILE( 8 A-100 )
ARG( 8 A -99 )
ILE( 8 A -98 )
ASP( 8 A -97 )
GLN( 8 A -96 )
ALA( 8 A -95 )
ILE( 8 A -94 )
MET( 8 A -93 )
ASP( 8 A -92 )
LYS( 8 A -91 )
ASN( 8 A -90 )
ILE( 8 A -89 )
MET( 8 A -88 )
LEU( 8 A -87 )
LYS( 8 A -86 )
ALA( 8 A -85 )
ASN( 8 A -84 )
PHE( 8 A -83 )
SER( 8 A -82 )
VAL( 8 A -81 )
ILE( 8 A -80 )
PHE( 8 A -79 )
ASP( 8 A -78 )
ARG( 8 A -77 )
LEU( 8 A -76 )
GLU( 8 A -75 )
THR( 8 A -74 )
LEU( 8 A -73 )
ILE( 8 A -72 )
LEU( 8 A -71 )
LEU( 8 A -70 )
ARG( 8 A -69 )
ALA( 8 A -68 )
PHE( 8 A -67 )
THR( 8 A -66 )
GLU( 8 A -65 )
GLU( 8 A -64 )
GLY( 8 A -63 )
ALA( 8 A -62 )
ILE( 8 A -61 )
VAL( 8 A -60 )
GLY( 8 A -59 )
GLU( 8 A -58 )
ILE( 8 A -57 )
SER( 8 A -56 )
PRO( 8 A -55 )
LEU( 8 A -54 )
PRO( 8 A -53 )
SER( 8 A -52 )
PHE( 8 A -51 )
PRO( 8 A -50 )
GLY( 8 A -49 )
HIS( 8 A -48 )
THR( 8 A -47 )
ILE( 8 A -46 )
GLU( 8 A -45 )
ASP( 8 A -44 )
VAL( 8 A -43 )
LYS( 8 A -42 )
ASN( 8 A -41 )
ALA( 8 A -40 )
ILE( 8 A -39 )
GLY( 8 A -38 )
VAL( 8 A -37 )
LEU( 8 A -36 )
ILE( 8 A -35 )
GLY( 8 A -34 )
GLY( 8 A -33 )
LEU( 8 A -32 )
GLU( 8 A -31 )
ARG( 8 A -30 )
ASN( 8 A -29 )
ASP( 8 A -28 )
ASN( 8 A -27 )
THR( 8 A -26 )
VAL( 8 A -25 )
ARG( 8 A -24 )
VAL( 8 A -23 )
SER( 8 A -22 )
LYS( 8 A -21 )
THR( 8 A -20 )
LEU( 8 A -19 )
GLN( 8 A -18 )
ARG( 8 A -17 )
PHE( 8 A -16 )
ALA( 8 A -15 )
TRP( 8 A -14 )
GLY( 8 A -13 )
SER( 8 A -12 )
SER( 8 A -11 )
ASN( 8 A -10 )
GLU( 8 A -9 )
ASN( 8 A -8 )
GLY( 8 A -7 )
ARG( 8 A -6 )
PRO( 8 A -5 )
PRO( 8 A -4 )
LEU( 8 A -3 )
THR( 8 A -2 )
LEU( 8 A -1 )
GLU( 8 A 0 )
MET( 9 A-133 )
PRO( 9 A-132 )
ALA( 9 A-131 )
SER( 9 A-130 )
ARG( 9 A-129 )
TYR( 9 A-128 )
ILE( 9 A-127 )
THR( 9 A-126 )
ASP( 9 A-125 )
MET( 9 A-124 )
THR( 9 A-123 )
ILE( 9 A-122 )
GLU( 9 A-121 )
GLU( 9 A-120 )
LEU( 9 A-119 )
SER( 9 A-118 )
ARG( 9 A-117 )
ASP( 9 A-116 )
TRP( 9 A-115 )
PHE( 9 A-114 )
MET( 9 A-113 )
LEU( 9 A-112 )
MET( 9 A-111 )
PRO( 9 A-110 )
LYS( 9 A-109 )
GLN( 9 A-108 )
LYS( 9 A-107 )
VAL( 9 A-106 )
GLU( 9 A-105 )
GLY( 9 A-104 )
PRO( 9 A-103 )
LEU( 9 A-102 )
CYS( 9 A-101 )
ILE( 9 A-100 )
ARG( 9 A -99 )
ILE( 9 A -98 )
ASP( 9 A -97 )
GLN( 9 A -96 )
ALA( 9 A -95 )
ILE( 9 A -94 )
MET( 9 A -93 )
ASP( 9 A -92 )
LYS( 9 A -91 )
ASN( 9 A -90 )
ILE( 9 A -89 )
MET( 9 A -88 )
LEU( 9 A -87 )
LYS( 9 A -86 )
ALA( 9 A -85 )
ASN( 9 A -84 )
PHE( 9 A -83 )
SER( 9 A -82 )
VAL( 9 A -81 )
ILE( 9 A -80 )
PHE( 9 A -79 )
ASP( 9 A -78 )
ARG( 9 A -77 )
LEU( 9 A -76 )
GLU( 9 A -75 )
THR( 9 A -74 )
LEU( 9 A -73 )
ILE( 9 A -72 )
LEU( 9 A -71 )
LEU( 9 A -70 )
ARG( 9 A -69 )
ALA( 9 A -68 )
PHE( 9 A -67 )
THR( 9 A -66 )
GLU( 9 A -65 )
GLU( 9 A -64 )
GLY( 9 A -63 )
ALA( 9 A -62 )
ILE( 9 A -61 )
VAL( 9 A -60 )
GLY( 9 A -59 )
GLU( 9 A -58 )
ILE( 9 A -57 )
SER( 9 A -56 )
PRO( 9 A -55 )
LEU( 9 A -54 )
PRO( 9 A -53 )
SER( 9 A -52 )
PHE( 9 A -51 )
PRO( 9 A -50 )
GLY( 9 A -49 )
HIS( 9 A -48 )
THR( 9 A -47 )
ILE( 9 A -46 )
GLU( 9 A -45 )
ASP( 9 A -44 )
VAL( 9 A -43 )
LYS( 9 A -42 )
ASN( 9 A -41 )
ALA( 9 A -40 )
ILE( 9 A -39 )
GLY( 9 A -38 )
VAL( 9 A -37 )
LEU( 9 A -36 )
ILE( 9 A -35 )
GLY( 9 A -34 )
GLY( 9 A -33 )
LEU( 9 A -32 )
GLU( 9 A -31 )
ARG( 9 A -30 )
ASN( 9 A -29 )
ASP( 9 A -28 )
ASN( 9 A -27 )
THR( 9 A -26 )
VAL( 9 A -25 )
ARG( 9 A -24 )
VAL( 9 A -23 )
SER( 9 A -22 )
LYS( 9 A -21 )
THR( 9 A -20 )
LEU( 9 A -19 )
GLN( 9 A -18 )
ARG( 9 A -17 )
PHE( 9 A -16 )
ALA( 9 A -15 )
TRP( 9 A -14 )
GLY( 9 A -13 )
SER( 9 A -12 )
SER( 9 A -11 )
ASN( 9 A -10 )
GLU( 9 A -9 )
ASN( 9 A -8 )
GLY( 9 A -7 )
ARG( 9 A -6 )
PRO( 9 A -5 )
PRO( 9 A -4 )
LEU( 9 A -3 )
THR( 9 A -2 )
LEU( 9 A -1 )
GLU( 9 A 0 )
MET( 10 A-133 )
PRO( 10 A-132 )
ALA( 10 A-131 )
SER( 10 A-130 )
ARG( 10 A-129 )
TYR( 10 A-128 )
ILE( 10 A-127 )
THR( 10 A-126 )
ASP( 10 A-125 )
MET( 10 A-124 )
THR( 10 A-123 )
ILE( 10 A-122 )
GLU( 10 A-121 )
GLU( 10 A-120 )
LEU( 10 A-119 )
SER( 10 A-118 )
ARG( 10 A-117 )
ASP( 10 A-116 )
TRP( 10 A-115 )
PHE( 10 A-114 )
MET( 10 A-113 )
LEU( 10 A-112 )
MET( 10 A-111 )
PRO( 10 A-110 )
LYS( 10 A-109 )
GLN( 10 A-108 )
LYS( 10 A-107 )
VAL( 10 A-106 )
GLU( 10 A-105 )
GLY( 10 A-104 )
PRO( 10 A-103 )
LEU( 10 A-102 )
CYS( 10 A-101 )
ILE( 10 A-100 )
ARG( 10 A -99 )
ILE( 10 A -98 )
ASP( 10 A -97 )
GLN( 10 A -96 )
ALA( 10 A -95 )
ILE( 10 A -94 )
MET( 10 A -93 )
ASP( 10 A -92 )
LYS( 10 A -91 )
ASN( 10 A -90 )
ILE( 10 A -89 )
MET( 10 A -88 )
LEU( 10 A -87 )
LYS( 10 A -86 )
ALA( 10 A -85 )
ASN( 10 A -84 )
PHE( 10 A -83 )
SER( 10 A -82 )
VAL( 10 A -81 )
ILE( 10 A -80 )
PHE( 10 A -79 )
ASP( 10 A -78 )
ARG( 10 A -77 )
LEU( 10 A -76 )
GLU( 10 A -75 )
THR( 10 A -74 )
LEU( 10 A -73 )
ILE( 10 A -72 )
LEU( 10 A -71 )
LEU( 10 A -70 )
ARG( 10 A -69 )
ALA( 10 A -68 )
PHE( 10 A -67 )
THR( 10 A -66 )
GLU( 10 A -65 )
GLU( 10 A -64 )
GLY( 10 A -63 )
ALA( 10 A -62 )
ILE( 10 A -61 )
VAL( 10 A -60 )
GLY( 10 A -59 )
GLU( 10 A -58 )
ILE( 10 A -57 )
SER( 10 A -56 )
PRO( 10 A -55 )
LEU( 10 A -54 )
PRO( 10 A -53 )
SER( 10 A -52 )
PHE( 10 A -51 )
PRO( 10 A -50 )
GLY( 10 A -49 )
HIS( 10 A -48 )
THR( 10 A -47 )
ILE( 10 A -46 )
GLU( 10 A -45 )
ASP( 10 A -44 )
VAL( 10 A -43 )
LYS( 10 A -42 )
ASN( 10 A -41 )
ALA( 10 A -40 )
ILE( 10 A -39 )
GLY( 10 A -38 )
VAL( 10 A -37 )
LEU( 10 A -36 )
ILE( 10 A -35 )
GLY( 10 A -34 )
GLY( 10 A -33 )
LEU( 10 A -32 )
GLU( 10 A -31 )
ARG( 10 A -30 )
ASN( 10 A -29 )
ASP( 10 A -28 )
ASN( 10 A -27 )
THR( 10 A -26 )
VAL( 10 A -25 )
ARG( 10 A -24 )
VAL( 10 A -23 )
SER( 10 A -22 )
LYS( 10 A -21 )
THR( 10 A -20 )
LEU( 10 A -19 )
GLN( 10 A -18 )
ARG( 10 A -17 )
PHE( 10 A -16 )
ALA( 10 A -15 )
TRP( 10 A -14 )
GLY( 10 A -13 )
SER( 10 A -12 )
SER( 10 A -11 )
ASN( 10 A -10 )
GLU( 10 A -9 )
ASN( 10 A -8 )
GLY( 10 A -7 )
ARG( 10 A -6 )
PRO( 10 A -5 )
PRO( 10 A -4 )
LEU( 10 A -3 )
THR( 10 A -2 )
LEU( 10 A -1 )
GLU( 10 A 0 )
MET( 11 A-133 )
PRO( 11 A-132 )
ALA( 11 A-131 )
SER( 11 A-130 )
ARG( 11 A-129 )
TYR( 11 A-128 )
ILE( 11 A-127 )
THR( 11 A-126 )
ASP( 11 A-125 )
MET( 11 A-124 )
THR( 11 A-123 )
ILE( 11 A-122 )
GLU( 11 A-121 )
GLU( 11 A-120 )
LEU( 11 A-119 )
SER( 11 A-118 )
ARG( 11 A-117 )
ASP( 11 A-116 )
TRP( 11 A-115 )
PHE( 11 A-114 )
MET( 11 A-113 )
LEU( 11 A-112 )
MET( 11 A-111 )
PRO( 11 A-110 )
LYS( 11 A-109 )
GLN( 11 A-108 )
LYS( 11 A-107 )
VAL( 11 A-106 )
GLU( 11 A-105 )
GLY( 11 A-104 )
PRO( 11 A-103 )
LEU( 11 A-102 )
CYS( 11 A-101 )
ILE( 11 A-100 )
ARG( 11 A -99 )
ILE( 11 A -98 )
ASP( 11 A -97 )
GLN( 11 A -96 )
ALA( 11 A -95 )
ILE( 11 A -94 )
MET( 11 A -93 )
ASP( 11 A -92 )
LYS( 11 A -91 )
ASN( 11 A -90 )
ILE( 11 A -89 )
MET( 11 A -88 )
LEU( 11 A -87 )
LYS( 11 A -86 )
ALA( 11 A -85 )
ASN( 11 A -84 )
PHE( 11 A -83 )
SER( 11 A -82 )
VAL( 11 A -81 )
ILE( 11 A -80 )
PHE( 11 A -79 )
ASP( 11 A -78 )
ARG( 11 A -77 )
LEU( 11 A -76 )
GLU( 11 A -75 )
THR( 11 A -74 )
LEU( 11 A -73 )
ILE( 11 A -72 )
LEU( 11 A -71 )
LEU( 11 A -70 )
ARG( 11 A -69 )
ALA( 11 A -68 )
PHE( 11 A -67 )
THR( 11 A -66 )
GLU( 11 A -65 )
GLU( 11 A -64 )
GLY( 11 A -63 )
ALA( 11 A -62 )
ILE( 11 A -61 )
VAL( 11 A -60 )
GLY( 11 A -59 )
GLU( 11 A -58 )
ILE( 11 A -57 )
SER( 11 A -56 )
PRO( 11 A -55 )
LEU( 11 A -54 )
PRO( 11 A -53 )
SER( 11 A -52 )
PHE( 11 A -51 )
PRO( 11 A -50 )
GLY( 11 A -49 )
HIS( 11 A -48 )
THR( 11 A -47 )
ILE( 11 A -46 )
GLU( 11 A -45 )
ASP( 11 A -44 )
VAL( 11 A -43 )
LYS( 11 A -42 )
ASN( 11 A -41 )
ALA( 11 A -40 )
ILE( 11 A -39 )
GLY( 11 A -38 )
VAL( 11 A -37 )
LEU( 11 A -36 )
ILE( 11 A -35 )
GLY( 11 A -34 )
GLY( 11 A -33 )
LEU( 11 A -32 )
GLU( 11 A -31 )
ARG( 11 A -30 )
ASN( 11 A -29 )
ASP( 11 A -28 )
ASN( 11 A -27 )
THR( 11 A -26 )
VAL( 11 A -25 )
ARG( 11 A -24 )
VAL( 11 A -23 )
SER( 11 A -22 )
LYS( 11 A -21 )
THR( 11 A -20 )
LEU( 11 A -19 )
GLN( 11 A -18 )
ARG( 11 A -17 )
PHE( 11 A -16 )
ALA( 11 A -15 )
TRP( 11 A -14 )
GLY( 11 A -13 )
SER( 11 A -12 )
SER( 11 A -11 )
ASN( 11 A -10 )
GLU( 11 A -9 )
ASN( 11 A -8 )
GLY( 11 A -7 )
ARG( 11 A -6 )
PRO( 11 A -5 )
PRO( 11 A -4 )
LEU( 11 A -3 )
THR( 11 A -2 )
LEU( 11 A -1 )
GLU( 11 A 0 )
MET( 12 A-133 )
PRO( 12 A-132 )
ALA( 12 A-131 )
SER( 12 A-130 )
ARG( 12 A-129 )
TYR( 12 A-128 )
ILE( 12 A-127 )
THR( 12 A-126 )
ASP( 12 A-125 )
MET( 12 A-124 )
THR( 12 A-123 )
ILE( 12 A-122 )
GLU( 12 A-121 )
GLU( 12 A-120 )
LEU( 12 A-119 )
SER( 12 A-118 )
ARG( 12 A-117 )
ASP( 12 A-116 )
TRP( 12 A-115 )
PHE( 12 A-114 )
MET( 12 A-113 )
LEU( 12 A-112 )
MET( 12 A-111 )
PRO( 12 A-110 )
LYS( 12 A-109 )
GLN( 12 A-108 )
LYS( 12 A-107 )
VAL( 12 A-106 )
GLU( 12 A-105 )
GLY( 12 A-104 )
PRO( 12 A-103 )
LEU( 12 A-102 )
CYS( 12 A-101 )
ILE( 12 A-100 )
ARG( 12 A -99 )
ILE( 12 A -98 )
ASP( 12 A -97 )
GLN( 12 A -96 )
ALA( 12 A -95 )
ILE( 12 A -94 )
MET( 12 A -93 )
ASP( 12 A -92 )
LYS( 12 A -91 )
ASN( 12 A -90 )
ILE( 12 A -89 )
MET( 12 A -88 )
LEU( 12 A -87 )
LYS( 12 A -86 )
ALA( 12 A -85 )
ASN( 12 A -84 )
PHE( 12 A -83 )
SER( 12 A -82 )
VAL( 12 A -81 )
ILE( 12 A -80 )
PHE( 12 A -79 )
ASP( 12 A -78 )
ARG( 12 A -77 )
LEU( 12 A -76 )
GLU( 12 A -75 )
THR( 12 A -74 )
LEU( 12 A -73 )
ILE( 12 A -72 )
LEU( 12 A -71 )
LEU( 12 A -70 )
ARG( 12 A -69 )
ALA( 12 A -68 )
PHE( 12 A -67 )
THR( 12 A -66 )
GLU( 12 A -65 )
GLU( 12 A -64 )
GLY( 12 A -63 )
ALA( 12 A -62 )
ILE( 12 A -61 )
VAL( 12 A -60 )
GLY( 12 A -59 )
GLU( 12 A -58 )
ILE( 12 A -57 )
SER( 12 A -56 )
PRO( 12 A -55 )
LEU( 12 A -54 )
PRO( 12 A -53 )
SER( 12 A -52 )
PHE( 12 A -51 )
PRO( 12 A -50 )
GLY( 12 A -49 )
HIS( 12 A -48 )
THR( 12 A -47 )
ILE( 12 A -46 )
GLU( 12 A -45 )
ASP( 12 A -44 )
VAL( 12 A -43 )
LYS( 12 A -42 )
ASN( 12 A -41 )
ALA( 12 A -40 )
ILE( 12 A -39 )
GLY( 12 A -38 )
VAL( 12 A -37 )
LEU( 12 A -36 )
ILE( 12 A -35 )
GLY( 12 A -34 )
GLY( 12 A -33 )
LEU( 12 A -32 )
GLU( 12 A -31 )
ARG( 12 A -30 )
ASN( 12 A -29 )
ASP( 12 A -28 )
ASN( 12 A -27 )
THR( 12 A -26 )
VAL( 12 A -25 )
ARG( 12 A -24 )
VAL( 12 A -23 )
SER( 12 A -22 )
LYS( 12 A -21 )
THR( 12 A -20 )
LEU( 12 A -19 )
GLN( 12 A -18 )
ARG( 12 A -17 )
PHE( 12 A -16 )
ALA( 12 A -15 )
TRP( 12 A -14 )
GLY( 12 A -13 )
SER( 12 A -12 )
SER( 12 A -11 )
ASN( 12 A -10 )
GLU( 12 A -9 )
ASN( 12 A -8 )
GLY( 12 A -7 )
ARG( 12 A -6 )
PRO( 12 A -5 )
PRO( 12 A -4 )
LEU( 12 A -3 )
THR( 12 A -2 )
LEU( 12 A -1 )
GLU( 12 A 0 )
MET( 13 A-133 )
PRO( 13 A-132 )
ALA( 13 A-131 )
SER( 13 A-130 )
ARG( 13 A-129 )
TYR( 13 A-128 )
ILE( 13 A-127 )
THR( 13 A-126 )
ASP( 13 A-125 )
MET( 13 A-124 )
THR( 13 A-123 )
ILE( 13 A-122 )
GLU( 13 A-121 )
GLU( 13 A-120 )
LEU( 13 A-119 )
SER( 13 A-118 )
ARG( 13 A-117 )
ASP( 13 A-116 )
TRP( 13 A-115 )
PHE( 13 A-114 )
MET( 13 A-113 )
LEU( 13 A-112 )
MET( 13 A-111 )
PRO( 13 A-110 )
LYS( 13 A-109 )
GLN( 13 A-108 )
LYS( 13 A-107 )
VAL( 13 A-106 )
GLU( 13 A-105 )
GLY( 13 A-104 )
PRO( 13 A-103 )
LEU( 13 A-102 )
CYS( 13 A-101 )
ILE( 13 A-100 )
ARG( 13 A -99 )
ILE( 13 A -98 )
ASP( 13 A -97 )
GLN( 13 A -96 )
ALA( 13 A -95 )
ILE( 13 A -94 )
MET( 13 A -93 )
ASP( 13 A -92 )
LYS( 13 A -91 )
ASN( 13 A -90 )
ILE( 13 A -89 )
MET( 13 A -88 )
LEU( 13 A -87 )
LYS( 13 A -86 )
ALA( 13 A -85 )
ASN( 13 A -84 )
PHE( 13 A -83 )
SER( 13 A -82 )
VAL( 13 A -81 )
ILE( 13 A -80 )
PHE( 13 A -79 )
ASP( 13 A -78 )
ARG( 13 A -77 )
LEU( 13 A -76 )
GLU( 13 A -75 )
THR( 13 A -74 )
LEU( 13 A -73 )
ILE( 13 A -72 )
LEU( 13 A -71 )
LEU( 13 A -70 )
ARG( 13 A -69 )
ALA( 13 A -68 )
PHE( 13 A -67 )
THR( 13 A -66 )
GLU( 13 A -65 )
GLU( 13 A -64 )
GLY( 13 A -63 )
ALA( 13 A -62 )
ILE( 13 A -61 )
VAL( 13 A -60 )
GLY( 13 A -59 )
GLU( 13 A -58 )
ILE( 13 A -57 )
SER( 13 A -56 )
PRO( 13 A -55 )
LEU( 13 A -54 )
PRO( 13 A -53 )
SER( 13 A -52 )
PHE( 13 A -51 )
PRO( 13 A -50 )
GLY( 13 A -49 )
HIS( 13 A -48 )
THR( 13 A -47 )
ILE( 13 A -46 )
GLU( 13 A -45 )
ASP( 13 A -44 )
VAL( 13 A -43 )
LYS( 13 A -42 )
ASN( 13 A -41 )
ALA( 13 A -40 )
ILE( 13 A -39 )
GLY( 13 A -38 )
VAL( 13 A -37 )
LEU( 13 A -36 )
ILE( 13 A -35 )
GLY( 13 A -34 )
GLY( 13 A -33 )
LEU( 13 A -32 )
GLU( 13 A -31 )
ARG( 13 A -30 )
ASN( 13 A -29 )
ASP( 13 A -28 )
ASN( 13 A -27 )
THR( 13 A -26 )
VAL( 13 A -25 )
ARG( 13 A -24 )
VAL( 13 A -23 )
SER( 13 A -22 )
LYS( 13 A -21 )
THR( 13 A -20 )
LEU( 13 A -19 )
GLN( 13 A -18 )
ARG( 13 A -17 )
PHE( 13 A -16 )
ALA( 13 A -15 )
TRP( 13 A -14 )
GLY( 13 A -13 )
SER( 13 A -12 )
SER( 13 A -11 )
ASN( 13 A -10 )
GLU( 13 A -9 )
ASN( 13 A -8 )
GLY( 13 A -7 )
ARG( 13 A -6 )
PRO( 13 A -5 )
PRO( 13 A -4 )
LEU( 13 A -3 )
THR( 13 A -2 )
LEU( 13 A -1 )
GLU( 13 A 0 )
MET( 14 A-133 )
PRO( 14 A-132 )
ALA( 14 A-131 )
SER( 14 A-130 )
ARG( 14 A-129 )
TYR( 14 A-128 )
ILE( 14 A-127 )
THR( 14 A-126 )
ASP( 14 A-125 )
MET( 14 A-124 )
THR( 14 A-123 )
ILE( 14 A-122 )
GLU( 14 A-121 )
GLU( 14 A-120 )
LEU( 14 A-119 )
SER( 14 A-118 )
ARG( 14 A-117 )
ASP( 14 A-116 )
TRP( 14 A-115 )
PHE( 14 A-114 )
MET( 14 A-113 )
LEU( 14 A-112 )
MET( 14 A-111 )
PRO( 14 A-110 )
LYS( 14 A-109 )
GLN( 14 A-108 )
LYS( 14 A-107 )
VAL( 14 A-106 )
GLU( 14 A-105 )
GLY( 14 A-104 )
PRO( 14 A-103 )
LEU( 14 A-102 )
CYS( 14 A-101 )
ILE( 14 A-100 )
ARG( 14 A -99 )
ILE( 14 A -98 )
ASP( 14 A -97 )
GLN( 14 A -96 )
ALA( 14 A -95 )
ILE( 14 A -94 )
MET( 14 A -93 )
ASP( 14 A -92 )
LYS( 14 A -91 )
ASN( 14 A -90 )
ILE( 14 A -89 )
MET( 14 A -88 )
LEU( 14 A -87 )
LYS( 14 A -86 )
ALA( 14 A -85 )
ASN( 14 A -84 )
PHE( 14 A -83 )
SER( 14 A -82 )
VAL( 14 A -81 )
ILE( 14 A -80 )
PHE( 14 A -79 )
ASP( 14 A -78 )
ARG( 14 A -77 )
LEU( 14 A -76 )
GLU( 14 A -75 )
THR( 14 A -74 )
LEU( 14 A -73 )
ILE( 14 A -72 )
LEU( 14 A -71 )
LEU( 14 A -70 )
ARG( 14 A -69 )
ALA( 14 A -68 )
PHE( 14 A -67 )
THR( 14 A -66 )
GLU( 14 A -65 )
GLU( 14 A -64 )
GLY( 14 A -63 )
ALA( 14 A -62 )
ILE( 14 A -61 )
VAL( 14 A -60 )
GLY( 14 A -59 )
GLU( 14 A -58 )
ILE( 14 A -57 )
SER( 14 A -56 )
PRO( 14 A -55 )
LEU( 14 A -54 )
PRO( 14 A -53 )
SER( 14 A -52 )
PHE( 14 A -51 )
PRO( 14 A -50 )
GLY( 14 A -49 )
HIS( 14 A -48 )
THR( 14 A -47 )
ILE( 14 A -46 )
GLU( 14 A -45 )
ASP( 14 A -44 )
VAL( 14 A -43 )
LYS( 14 A -42 )
ASN( 14 A -41 )
ALA( 14 A -40 )
ILE( 14 A -39 )
GLY( 14 A -38 )
VAL( 14 A -37 )
LEU( 14 A -36 )
ILE( 14 A -35 )
GLY( 14 A -34 )
GLY( 14 A -33 )
LEU( 14 A -32 )
GLU( 14 A -31 )
ARG( 14 A -30 )
ASN( 14 A -29 )
ASP( 14 A -28 )
ASN( 14 A -27 )
THR( 14 A -26 )
VAL( 14 A -25 )
ARG( 14 A -24 )
VAL( 14 A -23 )
SER( 14 A -22 )
LYS( 14 A -21 )
THR( 14 A -20 )
LEU( 14 A -19 )
GLN( 14 A -18 )
ARG( 14 A -17 )
PHE( 14 A -16 )
ALA( 14 A -15 )
TRP( 14 A -14 )
GLY( 14 A -13 )
SER( 14 A -12 )
SER( 14 A -11 )
ASN( 14 A -10 )
GLU( 14 A -9 )
ASN( 14 A -8 )
GLY( 14 A -7 )
ARG( 14 A -6 )
PRO( 14 A -5 )
PRO( 14 A -4 )
LEU( 14 A -3 )
THR( 14 A -2 )
LEU( 14 A -1 )
GLU( 14 A 0 )
MET( 15 A-133 )
PRO( 15 A-132 )
ALA( 15 A-131 )
SER( 15 A-130 )
ARG( 15 A-129 )
TYR( 15 A-128 )
ILE( 15 A-127 )
THR( 15 A-126 )
ASP( 15 A-125 )
MET( 15 A-124 )
THR( 15 A-123 )
ILE( 15 A-122 )
GLU( 15 A-121 )
GLU( 15 A-120 )
LEU( 15 A-119 )
SER( 15 A-118 )
ARG( 15 A-117 )
ASP( 15 A-116 )
TRP( 15 A-115 )
PHE( 15 A-114 )
MET( 15 A-113 )
LEU( 15 A-112 )
MET( 15 A-111 )
PRO( 15 A-110 )
LYS( 15 A-109 )
GLN( 15 A-108 )
LYS( 15 A-107 )
VAL( 15 A-106 )
GLU( 15 A-105 )
GLY( 15 A-104 )
PRO( 15 A-103 )
LEU( 15 A-102 )
CYS( 15 A-101 )
ILE( 15 A-100 )
ARG( 15 A -99 )
ILE( 15 A -98 )
ASP( 15 A -97 )
GLN( 15 A -96 )
ALA( 15 A -95 )
ILE( 15 A -94 )
MET( 15 A -93 )
ASP( 15 A -92 )
LYS( 15 A -91 )
ASN( 15 A -90 )
ILE( 15 A -89 )
MET( 15 A -88 )
LEU( 15 A -87 )
LYS( 15 A -86 )
ALA( 15 A -85 )
ASN( 15 A -84 )
PHE( 15 A -83 )
SER( 15 A -82 )
VAL( 15 A -81 )
ILE( 15 A -80 )
PHE( 15 A -79 )
ASP( 15 A -78 )
ARG( 15 A -77 )
LEU( 15 A -76 )
GLU( 15 A -75 )
THR( 15 A -74 )
LEU( 15 A -73 )
ILE( 15 A -72 )
LEU( 15 A -71 )
LEU( 15 A -70 )
ARG( 15 A -69 )
ALA( 15 A -68 )
PHE( 15 A -67 )
THR( 15 A -66 )
GLU( 15 A -65 )
GLU( 15 A -64 )
GLY( 15 A -63 )
ALA( 15 A -62 )
ILE( 15 A -61 )
VAL( 15 A -60 )
GLY( 15 A -59 )
GLU( 15 A -58 )
ILE( 15 A -57 )
SER( 15 A -56 )
PRO( 15 A -55 )
LEU( 15 A -54 )
PRO( 15 A -53 )
SER( 15 A -52 )
PHE( 15 A -51 )
PRO( 15 A -50 )
GLY( 15 A -49 )
HIS( 15 A -48 )
THR( 15 A -47 )
ILE( 15 A -46 )
GLU( 15 A -45 )
ASP( 15 A -44 )
VAL( 15 A -43 )
LYS( 15 A -42 )
ASN( 15 A -41 )
ALA( 15 A -40 )
ILE( 15 A -39 )
GLY( 15 A -38 )
VAL( 15 A -37 )
LEU( 15 A -36 )
ILE( 15 A -35 )
GLY( 15 A -34 )
GLY( 15 A -33 )
LEU( 15 A -32 )
GLU( 15 A -31 )
ARG( 15 A -30 )
ASN( 15 A -29 )
ASP( 15 A -28 )
ASN( 15 A -27 )
THR( 15 A -26 )
VAL( 15 A -25 )
ARG( 15 A -24 )
VAL( 15 A -23 )
SER( 15 A -22 )
LYS( 15 A -21 )
THR( 15 A -20 )
LEU( 15 A -19 )
GLN( 15 A -18 )
ARG( 15 A -17 )
PHE( 15 A -16 )
ALA( 15 A -15 )
TRP( 15 A -14 )
GLY( 15 A -13 )
SER( 15 A -12 )
SER( 15 A -11 )
ASN( 15 A -10 )
GLU( 15 A -9 )
ASN( 15 A -8 )
GLY( 15 A -7 )
ARG( 15 A -6 )
PRO( 15 A -5 )
PRO( 15 A -4 )
LEU( 15 A -3 )
THR( 15 A -2 )
LEU( 15 A -1 )
GLU( 15 A 0 )
MET( 16 A-133 )
PRO( 16 A-132 )
ALA( 16 A-131 )
SER( 16 A-130 )
ARG( 16 A-129 )
TYR( 16 A-128 )
ILE( 16 A-127 )
THR( 16 A-126 )
ASP( 16 A-125 )
MET( 16 A-124 )
THR( 16 A-123 )
ILE( 16 A-122 )
GLU( 16 A-121 )
GLU( 16 A-120 )
LEU( 16 A-119 )
SER( 16 A-118 )
ARG( 16 A-117 )
ASP( 16 A-116 )
TRP( 16 A-115 )
PHE( 16 A-114 )
MET( 16 A-113 )
LEU( 16 A-112 )
MET( 16 A-111 )
PRO( 16 A-110 )
LYS( 16 A-109 )
GLN( 16 A-108 )
LYS( 16 A-107 )
VAL( 16 A-106 )
GLU( 16 A-105 )
GLY( 16 A-104 )
PRO( 16 A-103 )
LEU( 16 A-102 )
CYS( 16 A-101 )
ILE( 16 A-100 )
ARG( 16 A -99 )
ILE( 16 A -98 )
ASP( 16 A -97 )
GLN( 16 A -96 )
ALA( 16 A -95 )
ILE( 16 A -94 )
MET( 16 A -93 )
ASP( 16 A -92 )
LYS( 16 A -91 )
ASN( 16 A -90 )
ILE( 16 A -89 )
MET( 16 A -88 )
LEU( 16 A -87 )
LYS( 16 A -86 )
ALA( 16 A -85 )
ASN( 16 A -84 )
PHE( 16 A -83 )
SER( 16 A -82 )
VAL( 16 A -81 )
ILE( 16 A -80 )
PHE( 16 A -79 )
ASP( 16 A -78 )
ARG( 16 A -77 )
LEU( 16 A -76 )
GLU( 16 A -75 )
THR( 16 A -74 )
LEU( 16 A -73 )
ILE( 16 A -72 )
LEU( 16 A -71 )
LEU( 16 A -70 )
ARG( 16 A -69 )
ALA( 16 A -68 )
PHE( 16 A -67 )
THR( 16 A -66 )
GLU( 16 A -65 )
GLU( 16 A -64 )
GLY( 16 A -63 )
ALA( 16 A -62 )
ILE( 16 A -61 )
VAL( 16 A -60 )
GLY( 16 A -59 )
GLU( 16 A -58 )
ILE( 16 A -57 )
SER( 16 A -56 )
PRO( 16 A -55 )
LEU( 16 A -54 )
PRO( 16 A -53 )
SER( 16 A -52 )
PHE( 16 A -51 )
PRO( 16 A -50 )
GLY( 16 A -49 )
HIS( 16 A -48 )
THR( 16 A -47 )
ILE( 16 A -46 )
GLU( 16 A -45 )
ASP( 16 A -44 )
VAL( 16 A -43 )
LYS( 16 A -42 )
ASN( 16 A -41 )
ALA( 16 A -40 )
ILE( 16 A -39 )
GLY( 16 A -38 )
VAL( 16 A -37 )
LEU( 16 A -36 )
ILE( 16 A -35 )
GLY( 16 A -34 )
GLY( 16 A -33 )
LEU( 16 A -32 )
GLU( 16 A -31 )
ARG( 16 A -30 )
ASN( 16 A -29 )
ASP( 16 A -28 )
ASN( 16 A -27 )
THR( 16 A -26 )
VAL( 16 A -25 )
ARG( 16 A -24 )
VAL( 16 A -23 )
SER( 16 A -22 )
LYS( 16 A -21 )
THR( 16 A -20 )
LEU( 16 A -19 )
GLN( 16 A -18 )
ARG( 16 A -17 )
PHE( 16 A -16 )
ALA( 16 A -15 )
TRP( 16 A -14 )
GLY( 16 A -13 )
SER( 16 A -12 )
SER( 16 A -11 )
ASN( 16 A -10 )
GLU( 16 A -9 )
ASN( 16 A -8 )
GLY( 16 A -7 )
ARG( 16 A -6 )
PRO( 16 A -5 )
PRO( 16 A -4 )
LEU( 16 A -3 )
THR( 16 A -2 )
LEU( 16 A -1 )
GLU( 16 A 0 )
MET( 17 A-133 )
PRO( 17 A-132 )
ALA( 17 A-131 )
SER( 17 A-130 )
ARG( 17 A-129 )
TYR( 17 A-128 )
ILE( 17 A-127 )
THR( 17 A-126 )
ASP( 17 A-125 )
MET( 17 A-124 )
THR( 17 A-123 )
ILE( 17 A-122 )
GLU( 17 A-121 )
GLU( 17 A-120 )
LEU( 17 A-119 )
SER( 17 A-118 )
ARG( 17 A-117 )
ASP( 17 A-116 )
TRP( 17 A-115 )
PHE( 17 A-114 )
MET( 17 A-113 )
LEU( 17 A-112 )
MET( 17 A-111 )
PRO( 17 A-110 )
LYS( 17 A-109 )
GLN( 17 A-108 )
LYS( 17 A-107 )
VAL( 17 A-106 )
GLU( 17 A-105 )
GLY( 17 A-104 )
PRO( 17 A-103 )
LEU( 17 A-102 )
CYS( 17 A-101 )
ILE( 17 A-100 )
ARG( 17 A -99 )
ILE( 17 A -98 )
ASP( 17 A -97 )
GLN( 17 A -96 )
ALA( 17 A -95 )
ILE( 17 A -94 )
MET( 17 A -93 )
ASP( 17 A -92 )
LYS( 17 A -91 )
ASN( 17 A -90 )
ILE( 17 A -89 )
MET( 17 A -88 )
LEU( 17 A -87 )
LYS( 17 A -86 )
ALA( 17 A -85 )
ASN( 17 A -84 )
PHE( 17 A -83 )
SER( 17 A -82 )
VAL( 17 A -81 )
ILE( 17 A -80 )
PHE( 17 A -79 )
ASP( 17 A -78 )
ARG( 17 A -77 )
LEU( 17 A -76 )
GLU( 17 A -75 )
THR( 17 A -74 )
LEU( 17 A -73 )
ILE( 17 A -72 )
LEU( 17 A -71 )
LEU( 17 A -70 )
ARG( 17 A -69 )
ALA( 17 A -68 )
PHE( 17 A -67 )
THR( 17 A -66 )
GLU( 17 A -65 )
GLU( 17 A -64 )
GLY( 17 A -63 )
ALA( 17 A -62 )
ILE( 17 A -61 )
VAL( 17 A -60 )
GLY( 17 A -59 )
GLU( 17 A -58 )
ILE( 17 A -57 )
SER( 17 A -56 )
PRO( 17 A -55 )
LEU( 17 A -54 )
PRO( 17 A -53 )
SER( 17 A -52 )
PHE( 17 A -51 )
PRO( 17 A -50 )
GLY( 17 A -49 )
HIS( 17 A -48 )
THR( 17 A -47 )
ILE( 17 A -46 )
GLU( 17 A -45 )
ASP( 17 A -44 )
VAL( 17 A -43 )
LYS( 17 A -42 )
ASN( 17 A -41 )
ALA( 17 A -40 )
ILE( 17 A -39 )
GLY( 17 A -38 )
VAL( 17 A -37 )
LEU( 17 A -36 )
ILE( 17 A -35 )
GLY( 17 A -34 )
GLY( 17 A -33 )
LEU( 17 A -32 )
GLU( 17 A -31 )
ARG( 17 A -30 )
ASN( 17 A -29 )
ASP( 17 A -28 )
ASN( 17 A -27 )
THR( 17 A -26 )
VAL( 17 A -25 )
ARG( 17 A -24 )
VAL( 17 A -23 )
SER( 17 A -22 )
LYS( 17 A -21 )
THR( 17 A -20 )
LEU( 17 A -19 )
GLN( 17 A -18 )
ARG( 17 A -17 )
PHE( 17 A -16 )
ALA( 17 A -15 )
TRP( 17 A -14 )
GLY( 17 A -13 )
SER( 17 A -12 )
SER( 17 A -11 )
ASN( 17 A -10 )
GLU( 17 A -9 )
ASN( 17 A -8 )
GLY( 17 A -7 )
ARG( 17 A -6 )
PRO( 17 A -5 )
PRO( 17 A -4 )
LEU( 17 A -3 )
THR( 17 A -2 )
LEU( 17 A -1 )
GLU( 17 A 0 )
MET( 18 A-133 )
PRO( 18 A-132 )
ALA( 18 A-131 )
SER( 18 A-130 )
ARG( 18 A-129 )
TYR( 18 A-128 )
ILE( 18 A-127 )
THR( 18 A-126 )
ASP( 18 A-125 )
MET( 18 A-124 )
THR( 18 A-123 )
ILE( 18 A-122 )
GLU( 18 A-121 )
GLU( 18 A-120 )
LEU( 18 A-119 )
SER( 18 A-118 )
ARG( 18 A-117 )
ASP( 18 A-116 )
TRP( 18 A-115 )
PHE( 18 A-114 )
MET( 18 A-113 )
LEU( 18 A-112 )
MET( 18 A-111 )
PRO( 18 A-110 )
LYS( 18 A-109 )
GLN( 18 A-108 )
LYS( 18 A-107 )
VAL( 18 A-106 )
GLU( 18 A-105 )
GLY( 18 A-104 )
PRO( 18 A-103 )
LEU( 18 A-102 )
CYS( 18 A-101 )
ILE( 18 A-100 )
ARG( 18 A -99 )
ILE( 18 A -98 )
ASP( 18 A -97 )
GLN( 18 A -96 )
ALA( 18 A -95 )
ILE( 18 A -94 )
MET( 18 A -93 )
ASP( 18 A -92 )
LYS( 18 A -91 )
ASN( 18 A -90 )
ILE( 18 A -89 )
MET( 18 A -88 )
LEU( 18 A -87 )
LYS( 18 A -86 )
ALA( 18 A -85 )
ASN( 18 A -84 )
PHE( 18 A -83 )
SER( 18 A -82 )
VAL( 18 A -81 )
ILE( 18 A -80 )
PHE( 18 A -79 )
ASP( 18 A -78 )
ARG( 18 A -77 )
LEU( 18 A -76 )
GLU( 18 A -75 )
THR( 18 A -74 )
LEU( 18 A -73 )
ILE( 18 A -72 )
LEU( 18 A -71 )
LEU( 18 A -70 )
ARG( 18 A -69 )
ALA( 18 A -68 )
PHE( 18 A -67 )
THR( 18 A -66 )
GLU( 18 A -65 )
GLU( 18 A -64 )
GLY( 18 A -63 )
ALA( 18 A -62 )
ILE( 18 A -61 )
VAL( 18 A -60 )
GLY( 18 A -59 )
GLU( 18 A -58 )
ILE( 18 A -57 )
SER( 18 A -56 )
PRO( 18 A -55 )
LEU( 18 A -54 )
PRO( 18 A -53 )
SER( 18 A -52 )
PHE( 18 A -51 )
PRO( 18 A -50 )
GLY( 18 A -49 )
HIS( 18 A -48 )
THR( 18 A -47 )
ILE( 18 A -46 )
GLU( 18 A -45 )
ASP( 18 A -44 )
VAL( 18 A -43 )
LYS( 18 A -42 )
ASN( 18 A -41 )
ALA( 18 A -40 )
ILE( 18 A -39 )
GLY( 18 A -38 )
VAL( 18 A -37 )
LEU( 18 A -36 )
ILE( 18 A -35 )
GLY( 18 A -34 )
GLY( 18 A -33 )
LEU( 18 A -32 )
GLU( 18 A -31 )
ARG( 18 A -30 )
ASN( 18 A -29 )
ASP( 18 A -28 )
ASN( 18 A -27 )
THR( 18 A -26 )
VAL( 18 A -25 )
ARG( 18 A -24 )
VAL( 18 A -23 )
SER( 18 A -22 )
LYS( 18 A -21 )
THR( 18 A -20 )
LEU( 18 A -19 )
GLN( 18 A -18 )
ARG( 18 A -17 )
PHE( 18 A -16 )
ALA( 18 A -15 )
TRP( 18 A -14 )
GLY( 18 A -13 )
SER( 18 A -12 )
SER( 18 A -11 )
ASN( 18 A -10 )
GLU( 18 A -9 )
ASN( 18 A -8 )
GLY( 18 A -7 )
ARG( 18 A -6 )
PRO( 18 A -5 )
PRO( 18 A -4 )
LEU( 18 A -3 )
THR( 18 A -2 )
LEU( 18 A -1 )
GLU( 18 A 0 )
MET( 19 A-133 )
PRO( 19 A-132 )
ALA( 19 A-131 )
SER( 19 A-130 )
ARG( 19 A-129 )
TYR( 19 A-128 )
ILE( 19 A-127 )
THR( 19 A-126 )
ASP( 19 A-125 )
MET( 19 A-124 )
THR( 19 A-123 )
ILE( 19 A-122 )
GLU( 19 A-121 )
GLU( 19 A-120 )
LEU( 19 A-119 )
SER( 19 A-118 )
ARG( 19 A-117 )
ASP( 19 A-116 )
TRP( 19 A-115 )
PHE( 19 A-114 )
MET( 19 A-113 )
LEU( 19 A-112 )
MET( 19 A-111 )
PRO( 19 A-110 )
LYS( 19 A-109 )
GLN( 19 A-108 )
LYS( 19 A-107 )
VAL( 19 A-106 )
GLU( 19 A-105 )
GLY( 19 A-104 )
PRO( 19 A-103 )
LEU( 19 A-102 )
CYS( 19 A-101 )
ILE( 19 A-100 )
ARG( 19 A -99 )
ILE( 19 A -98 )
ASP( 19 A -97 )
GLN( 19 A -96 )
ALA( 19 A -95 )
ILE( 19 A -94 )
MET( 19 A -93 )
ASP( 19 A -92 )
LYS( 19 A -91 )
ASN( 19 A -90 )
ILE( 19 A -89 )
MET( 19 A -88 )
LEU( 19 A -87 )
LYS( 19 A -86 )
ALA( 19 A -85 )
ASN( 19 A -84 )
PHE( 19 A -83 )
SER( 19 A -82 )
VAL( 19 A -81 )
ILE( 19 A -80 )
PHE( 19 A -79 )
ASP( 19 A -78 )
ARG( 19 A -77 )
LEU( 19 A -76 )
GLU( 19 A -75 )
THR( 19 A -74 )
LEU( 19 A -73 )
ILE( 19 A -72 )
LEU( 19 A -71 )
LEU( 19 A -70 )
ARG( 19 A -69 )
ALA( 19 A -68 )
PHE( 19 A -67 )
THR( 19 A -66 )
GLU( 19 A -65 )
GLU( 19 A -64 )
GLY( 19 A -63 )
ALA( 19 A -62 )
ILE( 19 A -61 )
VAL( 19 A -60 )
GLY( 19 A -59 )
GLU( 19 A -58 )
ILE( 19 A -57 )
SER( 19 A -56 )
PRO( 19 A -55 )
LEU( 19 A -54 )
PRO( 19 A -53 )
SER( 19 A -52 )
PHE( 19 A -51 )
PRO( 19 A -50 )
GLY( 19 A -49 )
HIS( 19 A -48 )
THR( 19 A -47 )
ILE( 19 A -46 )
GLU( 19 A -45 )
ASP( 19 A -44 )
VAL( 19 A -43 )
LYS( 19 A -42 )
ASN( 19 A -41 )
ALA( 19 A -40 )
ILE( 19 A -39 )
GLY( 19 A -38 )
VAL( 19 A -37 )
LEU( 19 A -36 )
ILE( 19 A -35 )
GLY( 19 A -34 )
GLY( 19 A -33 )
LEU( 19 A -32 )
GLU( 19 A -31 )
ARG( 19 A -30 )
ASN( 19 A -29 )
ASP( 19 A -28 )
ASN( 19 A -27 )
THR( 19 A -26 )
VAL( 19 A -25 )
ARG( 19 A -24 )
VAL( 19 A -23 )
SER( 19 A -22 )
LYS( 19 A -21 )
THR( 19 A -20 )
LEU( 19 A -19 )
GLN( 19 A -18 )
ARG( 19 A -17 )
PHE( 19 A -16 )
ALA( 19 A -15 )
TRP( 19 A -14 )
GLY( 19 A -13 )
SER( 19 A -12 )
SER( 19 A -11 )
ASN( 19 A -10 )
GLU( 19 A -9 )
ASN( 19 A -8 )
GLY( 19 A -7 )
ARG( 19 A -6 )
PRO( 19 A -5 )
PRO( 19 A -4 )
LEU( 19 A -3 )
THR( 19 A -2 )
LEU( 19 A -1 )
GLU( 19 A 0 )
MET( 20 A-133 )
PRO( 20 A-132 )
ALA( 20 A-131 )
SER( 20 A-130 )
ARG( 20 A-129 )
TYR( 20 A-128 )
ILE( 20 A-127 )
THR( 20 A-126 )
ASP( 20 A-125 )
MET( 20 A-124 )
THR( 20 A-123 )
ILE( 20 A-122 )
GLU( 20 A-121 )
GLU( 20 A-120 )
LEU( 20 A-119 )
SER( 20 A-118 )
ARG( 20 A-117 )
ASP( 20 A-116 )
TRP( 20 A-115 )
PHE( 20 A-114 )
MET( 20 A-113 )
LEU( 20 A-112 )
MET( 20 A-111 )
PRO( 20 A-110 )
LYS( 20 A-109 )
GLN( 20 A-108 )
LYS( 20 A-107 )
VAL( 20 A-106 )
GLU( 20 A-105 )
GLY( 20 A-104 )
PRO( 20 A-103 )
LEU( 20 A-102 )
CYS( 20 A-101 )
ILE( 20 A-100 )
ARG( 20 A -99 )
ILE( 20 A -98 )
ASP( 20 A -97 )
GLN( 20 A -96 )
ALA( 20 A -95 )
ILE( 20 A -94 )
MET( 20 A -93 )
ASP( 20 A -92 )
LYS( 20 A -91 )
ASN( 20 A -90 )
ILE( 20 A -89 )
MET( 20 A -88 )
LEU( 20 A -87 )
LYS( 20 A -86 )
ALA( 20 A -85 )
ASN( 20 A -84 )
PHE( 20 A -83 )
SER( 20 A -82 )
VAL( 20 A -81 )
ILE( 20 A -80 )
PHE( 20 A -79 )
ASP( 20 A -78 )
ARG( 20 A -77 )
LEU( 20 A -76 )
GLU( 20 A -75 )
THR( 20 A -74 )
LEU( 20 A -73 )
ILE( 20 A -72 )
LEU( 20 A -71 )
LEU( 20 A -70 )
ARG( 20 A -69 )
ALA( 20 A -68 )
PHE( 20 A -67 )
THR( 20 A -66 )
GLU( 20 A -65 )
GLU( 20 A -64 )
GLY( 20 A -63 )
ALA( 20 A -62 )
ILE( 20 A -61 )
VAL( 20 A -60 )
GLY( 20 A -59 )
GLU( 20 A -58 )
ILE( 20 A -57 )
SER( 20 A -56 )
PRO( 20 A -55 )
LEU( 20 A -54 )
PRO( 20 A -53 )
SER( 20 A -52 )
PHE( 20 A -51 )
PRO( 20 A -50 )
GLY( 20 A -49 )
HIS( 20 A -48 )
THR( 20 A -47 )
ILE( 20 A -46 )
GLU( 20 A -45 )
ASP( 20 A -44 )
VAL( 20 A -43 )
LYS( 20 A -42 )
ASN( 20 A -41 )
ALA( 20 A -40 )
ILE( 20 A -39 )
GLY( 20 A -38 )
VAL( 20 A -37 )
LEU( 20 A -36 )
ILE( 20 A -35 )
GLY( 20 A -34 )
GLY( 20 A -33 )
LEU( 20 A -32 )
GLU( 20 A -31 )
ARG( 20 A -30 )
ASN( 20 A -29 )
ASP( 20 A -28 )
ASN( 20 A -27 )
THR( 20 A -26 )
VAL( 20 A -25 )
ARG( 20 A -24 )
VAL( 20 A -23 )
SER( 20 A -22 )
LYS( 20 A -21 )
THR( 20 A -20 )
LEU( 20 A -19 )
GLN( 20 A -18 )
ARG( 20 A -17 )
PHE( 20 A -16 )
ALA( 20 A -15 )
TRP( 20 A -14 )
GLY( 20 A -13 )
SER( 20 A -12 )
SER( 20 A -11 )
ASN( 20 A -10 )
GLU( 20 A -9 )
ASN( 20 A -8 )
GLY( 20 A -7 )
ARG( 20 A -6 )
PRO( 20 A -5 )
PRO( 20 A -4 )
LEU( 20 A -3 )
THR( 20 A -2 )
LEU( 20 A -1 )
GLU( 20 A 0 )
PDB Chain_ID: A
1 15
SEQRES: MET PRO ALA SER ARG TYR ILE THR ASP MET THR ILE GLU GLU LEU
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
16 30
SEQRES: SER ARG ASP TRP PHE MET LEU MET PRO LYS GLN LYS VAL GLU GLY
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
31 45
SEQRES: PRO LEU CYS ILE ARG ILE ASP GLN ALA ILE MET ASP LYS ASN ILE
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
46 60
SEQRES: MET LEU LYS ALA ASN PHE SER VAL ILE PHE ASP ARG LEU GLU THR
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
61 75
SEQRES: LEU ILE LEU LEU ARG ALA PHE THR GLU GLU GLY ALA ILE VAL GLY
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
76 90
SEQRES: GLU ILE SER PRO LEU PRO SER PHE PRO GLY HIS THR ILE GLU ASP
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
91 105
SEQRES: VAL LYS ASN ALA ILE GLY VAL LEU ILE GLY GLY LEU GLU ARG ASN
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
106 120
SEQRES: ASP ASN THR VAL ARG VAL SER LYS THR LEU GLN ARG PHE ALA TRP
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
121 135
SEQRES: GLY SER SER ASN GLU ASN GLY ARG PRO PRO LEU THR LEU GLU MET
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... MET
1
136 150
SEQRES: PRO ALA SER ARG TYR ILE THR ASP MET THR ILE GLU GLU LEU SER
COORDS: PRO ALA SER ARG TYR ILE THR ASP MET THR ILE GLU GLU LEU SER
2 16
151 165
SEQRES: ARG ASP TRP PHE MET LEU MET PRO LYS GLN LYS VAL GLU GLY PRO
COORDS: ARG ASP TRP PHE MET LEU MET PRO LYS GLN LYS VAL GLU GLY PRO
17 31
166 180
SEQRES: LEU CYS ILE ARG ILE ASP GLN ALA ILE MET ASP LYS ASN ILE MET
COORDS: LEU CYS ILE ARG ILE ASP GLN ALA ILE MET ASP LYS ASN ILE MET
32 46
181 195
SEQRES: LEU LYS ALA ASN PHE SER VAL ILE PHE ASP ARG LEU GLU THR LEU
COORDS: LEU LYS ALA ASN PHE SER VAL ILE PHE ASP ARG LEU GLU THR LEU
47 61
196 210
SEQRES: ILE LEU LEU ARG ALA PHE THR GLU GLU GLY ALA ILE VAL GLY GLU
COORDS: ILE LEU LEU ARG ALA PHE THR GLU GLU GLY ALA ILE VAL GLY GLU
62 76
211 225
SEQRES: ILE SER PRO LEU PRO SER PHE PRO GLY HIS THR ILE GLU ASP VAL
COORDS: ILE SER PRO LEU PRO SER PHE PRO GLY HIS THR ILE GLU ASP VAL
77 91
226 240
SEQRES: LYS ASN ALA ILE GLY VAL LEU ILE GLY GLY LEU GLU ARG ASN ASP
COORDS: LYS ASN ALA ILE GLY VAL LEU ILE GLY GLY LEU GLU ARG ASN ASP
92 106
241 255
SEQRES: ASN THR VAL ARG VAL SER LYS THR LEU GLN ARG PHE ALA TRP GLY
COORDS: ASN THR VAL ARG VAL SER LYS THR LEU GLN ARG PHE ALA TRP GLY
107 121
256 268
SEQRES: SER SER ASN GLU ASN GLY ARG PRO PRO LEU THR LEU GLU
COORDS: SER SER ASN GLU ASN GLY ARG PRO PRO LEU THR LEU GLU
122 134
==> The following residues have missing atoms:
RES MOD#C SEQ ATOMS
ASP( 1 A 9) HD2
GLU( 1 A 13) HE2
GLU( 1 A 14) HE2
ASP( 1 A 18) HD2
GLU( 1 A 29) HE2
ASP( 1 A 37) HD2
ASP( 1 A 42) HD2
ASP( 1 A 56) HD2
GLU( 1 A 59) HE2
GLU( 1 A 69) HE2
GLU( 1 A 70) HE2
GLU( 1 A 76) HE2
HIS( 1 A 86) HE2
GLU( 1 A 89) HE2
ASP( 1 A 90) HD2
GLU( 1 A 103) HE2
ASP( 1 A 106) HD2
GLU( 1 A 125) HE2
GLU( 1 A 134) HE2
ASP( 2 A 9) HD2
GLU( 2 A 13) HE2
GLU( 2 A 14) HE2
ASP( 2 A 18) HD2
GLU( 2 A 29) HE2
ASP( 2 A 37) HD2
ASP( 2 A 42) HD2
ASP( 2 A 56) HD2
GLU( 2 A 59) HE2
GLU( 2 A 69) HE2
GLU( 2 A 70) HE2
GLU( 2 A 76) HE2
HIS( 2 A 86) HE2
GLU( 2 A 89) HE2
ASP( 2 A 90) HD2
GLU( 2 A 103) HE2
ASP( 2 A 106) HD2
GLU( 2 A 125) HE2
GLU( 2 A 134) HE2
ASP( 3 A 9) HD2
GLU( 3 A 13) HE2
GLU( 3 A 14) HE2
ASP( 3 A 18) HD2
GLU( 3 A 29) HE2
ASP( 3 A 37) HD2
ASP( 3 A 42) HD2
ASP( 3 A 56) HD2
GLU( 3 A 59) HE2
GLU( 3 A 69) HE2
GLU( 3 A 70) HE2
GLU( 3 A 76) HE2
HIS( 3 A 86) HE2
GLU( 3 A 89) HE2
ASP( 3 A 90) HD2
GLU( 3 A 103) HE2
ASP( 3 A 106) HD2
GLU( 3 A 125) HE2
GLU( 3 A 134) HE2
ASP( 4 A 9) HD2
GLU( 4 A 13) HE2
GLU( 4 A 14) HE2
ASP( 4 A 18) HD2
GLU( 4 A 29) HE2
ASP( 4 A 37) HD2
ASP( 4 A 42) HD2
ASP( 4 A 56) HD2
GLU( 4 A 59) HE2
GLU( 4 A 69) HE2
GLU( 4 A 70) HE2
GLU( 4 A 76) HE2
HIS( 4 A 86) HE2
GLU( 4 A 89) HE2
ASP( 4 A 90) HD2
GLU( 4 A 103) HE2
ASP( 4 A 106) HD2
GLU( 4 A 125) HE2
GLU( 4 A 134) HE2
ASP( 5 A 9) HD2
GLU( 5 A 13) HE2
GLU( 5 A 14) HE2
ASP( 5 A 18) HD2
GLU( 5 A 29) HE2
ASP( 5 A 37) HD2
ASP( 5 A 42) HD2
ASP( 5 A 56) HD2
GLU( 5 A 59) HE2
GLU( 5 A 69) HE2
GLU( 5 A 70) HE2
GLU( 5 A 76) HE2
HIS( 5 A 86) HE2
GLU( 5 A 89) HE2
ASP( 5 A 90) HD2
GLU( 5 A 103) HE2
ASP( 5 A 106) HD2
GLU( 5 A 125) HE2
GLU( 5 A 134) HE2
ASP( 6 A 9) HD2
GLU( 6 A 13) HE2
GLU( 6 A 14) HE2
ASP( 6 A 18) HD2
GLU( 6 A 29) HE2
ASP( 6 A 37) HD2
ASP( 6 A 42) HD2
ASP( 6 A 56) HD2
GLU( 6 A 59) HE2
GLU( 6 A 69) HE2
GLU( 6 A 70) HE2
GLU( 6 A 76) HE2
HIS( 6 A 86) HE2
GLU( 6 A 89) HE2
ASP( 6 A 90) HD2
GLU( 6 A 103) HE2
ASP( 6 A 106) HD2
GLU( 6 A 125) HE2
GLU( 6 A 134) HE2
ASP( 7 A 9) HD2
GLU( 7 A 13) HE2
GLU( 7 A 14) HE2
ASP( 7 A 18) HD2
GLU( 7 A 29) HE2
ASP( 7 A 37) HD2
ASP( 7 A 42) HD2
ASP( 7 A 56) HD2
GLU( 7 A 59) HE2
GLU( 7 A 69) HE2
GLU( 7 A 70) HE2
GLU( 7 A 76) HE2
HIS( 7 A 86) HE2
GLU( 7 A 89) HE2
ASP( 7 A 90) HD2
GLU( 7 A 103) HE2
ASP( 7 A 106) HD2
GLU( 7 A 125) HE2
GLU( 7 A 134) HE2
ASP( 8 A 9) HD2
GLU( 8 A 13) HE2
GLU( 8 A 14) HE2
ASP( 8 A 18) HD2
GLU( 8 A 29) HE2
ASP( 8 A 37) HD2
ASP( 8 A 42) HD2
ASP( 8 A 56) HD2
GLU( 8 A 59) HE2
GLU( 8 A 69) HE2
GLU( 8 A 70) HE2
GLU( 8 A 76) HE2
HIS( 8 A 86) HE2
GLU( 8 A 89) HE2
ASP( 8 A 90) HD2
GLU( 8 A 103) HE2
ASP( 8 A 106) HD2
GLU( 8 A 125) HE2
GLU( 8 A 134) HE2
ASP( 9 A 9) HD2
GLU( 9 A 13) HE2
GLU( 9 A 14) HE2
ASP( 9 A 18) HD2
GLU( 9 A 29) HE2
ASP( 9 A 37) HD2
ASP( 9 A 42) HD2
ASP( 9 A 56) HD2
GLU( 9 A 59) HE2
GLU( 9 A 69) HE2
GLU( 9 A 70) HE2
GLU( 9 A 76) HE2
HIS( 9 A 86) HE2
GLU( 9 A 89) HE2
ASP( 9 A 90) HD2
GLU( 9 A 103) HE2
ASP( 9 A 106) HD2
GLU( 9 A 125) HE2
GLU( 9 A 134) HE2
ASP( 10 A 9) HD2
GLU( 10 A 13) HE2
GLU( 10 A 14) HE2
ASP( 10 A 18) HD2
GLU( 10 A 29) HE2
ASP( 10 A 37) HD2
ASP( 10 A 42) HD2
ASP( 10 A 56) HD2
GLU( 10 A 59) HE2
GLU( 10 A 69) HE2
GLU( 10 A 70) HE2
GLU( 10 A 76) HE2
HIS( 10 A 86) HE2
GLU( 10 A 89) HE2
ASP( 10 A 90) HD2
GLU( 10 A 103) HE2
ASP( 10 A 106) HD2
GLU( 10 A 125) HE2
GLU( 10 A 134) HE2
ASP( 11 A 9) HD2
GLU( 11 A 13) HE2
GLU( 11 A 14) HE2
ASP( 11 A 18) HD2
GLU( 11 A 29) HE2
ASP( 11 A 37) HD2
ASP( 11 A 42) HD2
ASP( 11 A 56) HD2
GLU( 11 A 59) HE2
GLU( 11 A 69) HE2
GLU( 11 A 70) HE2
GLU( 11 A 76) HE2
HIS( 11 A 86) HE2
GLU( 11 A 89) HE2
ASP( 11 A 90) HD2
GLU( 11 A 103) HE2
ASP( 11 A 106) HD2
GLU( 11 A 125) HE2
GLU( 11 A 134) HE2
ASP( 12 A 9) HD2
GLU( 12 A 13) HE2
GLU( 12 A 14) HE2
ASP( 12 A 18) HD2
GLU( 12 A 29) HE2
ASP( 12 A 37) HD2
ASP( 12 A 42) HD2
ASP( 12 A 56) HD2
GLU( 12 A 59) HE2
GLU( 12 A 69) HE2
GLU( 12 A 70) HE2
GLU( 12 A 76) HE2
HIS( 12 A 86) HE2
GLU( 12 A 89) HE2
ASP( 12 A 90) HD2
GLU( 12 A 103) HE2
ASP( 12 A 106) HD2
GLU( 12 A 125) HE2
GLU( 12 A 134) HE2
ASP( 13 A 9) HD2
GLU( 13 A 13) HE2
GLU( 13 A 14) HE2
ASP( 13 A 18) HD2
GLU( 13 A 29) HE2
ASP( 13 A 37) HD2
ASP( 13 A 42) HD2
ASP( 13 A 56) HD2
GLU( 13 A 59) HE2
GLU( 13 A 69) HE2
GLU( 13 A 70) HE2
GLU( 13 A 76) HE2
HIS( 13 A 86) HE2
GLU( 13 A 89) HE2
ASP( 13 A 90) HD2
GLU( 13 A 103) HE2
ASP( 13 A 106) HD2
GLU( 13 A 125) HE2
GLU( 13 A 134) HE2
ASP( 14 A 9) HD2
GLU( 14 A 13) HE2
GLU( 14 A 14) HE2
ASP( 14 A 18) HD2
GLU( 14 A 29) HE2
ASP( 14 A 37) HD2
ASP( 14 A 42) HD2
ASP( 14 A 56) HD2
GLU( 14 A 59) HE2
GLU( 14 A 69) HE2
GLU( 14 A 70) HE2
GLU( 14 A 76) HE2
HIS( 14 A 86) HE2
GLU( 14 A 89) HE2
ASP( 14 A 90) HD2
GLU( 14 A 103) HE2
ASP( 14 A 106) HD2
GLU( 14 A 125) HE2
GLU( 14 A 134) HE2
ASP( 15 A 9) HD2
GLU( 15 A 13) HE2
GLU( 15 A 14) HE2
ASP( 15 A 18) HD2
GLU( 15 A 29) HE2
ASP( 15 A 37) HD2
ASP( 15 A 42) HD2
ASP( 15 A 56) HD2
GLU( 15 A 59) HE2
GLU( 15 A 69) HE2
GLU( 15 A 70) HE2
GLU( 15 A 76) HE2
HIS( 15 A 86) HE2
GLU( 15 A 89) HE2
ASP( 15 A 90) HD2
GLU( 15 A 103) HE2
ASP( 15 A 106) HD2
GLU( 15 A 125) HE2
GLU( 15 A 134) HE2
ASP( 16 A 9) HD2
GLU( 16 A 13) HE2
GLU( 16 A 14) HE2
ASP( 16 A 18) HD2
GLU( 16 A 29) HE2
ASP( 16 A 37) HD2
ASP( 16 A 42) HD2
ASP( 16 A 56) HD2
GLU( 16 A 59) HE2
GLU( 16 A 69) HE2
GLU( 16 A 70) HE2
GLU( 16 A 76) HE2
HIS( 16 A 86) HE2
GLU( 16 A 89) HE2
ASP( 16 A 90) HD2
GLU( 16 A 103) HE2
ASP( 16 A 106) HD2
GLU( 16 A 125) HE2
GLU( 16 A 134) HE2
ASP( 17 A 9) HD2
GLU( 17 A 13) HE2
GLU( 17 A 14) HE2
ASP( 17 A 18) HD2
GLU( 17 A 29) HE2
ASP( 17 A 37) HD2
ASP( 17 A 42) HD2
ASP( 17 A 56) HD2
GLU( 17 A 59) HE2
GLU( 17 A 69) HE2
GLU( 17 A 70) HE2
GLU( 17 A 76) HE2
HIS( 17 A 86) HE2
GLU( 17 A 89) HE2
ASP( 17 A 90) HD2
GLU( 17 A 103) HE2
ASP( 17 A 106) HD2
GLU( 17 A 125) HE2
GLU( 17 A 134) HE2
ASP( 18 A 9) HD2
GLU( 18 A 13) HE2
GLU( 18 A 14) HE2
ASP( 18 A 18) HD2
GLU( 18 A 29) HE2
ASP( 18 A 37) HD2
ASP( 18 A 42) HD2
ASP( 18 A 56) HD2
GLU( 18 A 59) HE2
GLU( 18 A 69) HE2
GLU( 18 A 70) HE2
GLU( 18 A 76) HE2
HIS( 18 A 86) HE2
GLU( 18 A 89) HE2
ASP( 18 A 90) HD2
GLU( 18 A 103) HE2
ASP( 18 A 106) HD2
GLU( 18 A 125) HE2
GLU( 18 A 134) HE2
ASP( 19 A 9) HD2
GLU( 19 A 13) HE2
GLU( 19 A 14) HE2
ASP( 19 A 18) HD2
GLU( 19 A 29) HE2
ASP( 19 A 37) HD2
ASP( 19 A 42) HD2
ASP( 19 A 56) HD2
GLU( 19 A 59) HE2
GLU( 19 A 69) HE2
GLU( 19 A 70) HE2
GLU( 19 A 76) HE2
HIS( 19 A 86) HE2
GLU( 19 A 89) HE2
ASP( 19 A 90) HD2
GLU( 19 A 103) HE2
ASP( 19 A 106) HD2
GLU( 19 A 125) HE2
GLU( 19 A 134) HE2
ASP( 20 A 9) HD2
GLU( 20 A 13) HE2
GLU( 20 A 14) HE2
ASP( 20 A 18) HD2
GLU( 20 A 29) HE2
ASP( 20 A 37) HD2
ASP( 20 A 42) HD2
ASP( 20 A 56) HD2
GLU( 20 A 59) HE2
GLU( 20 A 69) HE2
GLU( 20 A 70) HE2
GLU( 20 A 76) HE2
HIS( 20 A 86) HE2
GLU( 20 A 89) HE2
ASP( 20 A 90) HD2
GLU( 20 A 103) HE2
ASP( 20 A 106) HD2
GLU( 20 A 125) HE2
GLU( 20 A 134) HE2
==> The following residues have extra atoms:
RES MOD#C SEQ ATOMS
GLU( 1 A 134) O2
GLU( 2 A 134) O2
GLU( 3 A 134) O2
GLU( 4 A 134) O2
GLU( 5 A 134) O2
GLU( 6 A 134) O2
GLU( 7 A 134) O2
GLU( 8 A 134) O2
GLU( 9 A 134) O2
GLU( 10 A 134) O2
GLU( 11 A 134) O2
GLU( 12 A 134) O2
GLU( 13 A 134) O2
GLU( 14 A 134) O2
GLU( 15 A 134) O2
GLU( 16 A 134) O2
GLU( 17 A 134) O2
GLU( 18 A 134) O2
GLU( 19 A 134) O2
GLU( 20 A 134) 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
OR8C_R3_em_bcr3.pdb: Missing KEYWDS records
OR8C_R3_em_bcr3.pdb: Missing TITLE record