Detailed results of MRR110B_R3_em_bcr3 by PSVS
Output from PDBStat
Constraints analysis
table of NOE constraints
# -------------- SUMMARY OF RESTRAINTS ---------------
# TOTAL NUMBER OF NOE RESTRAINTS : 1700
# INTRA-RESIDUE RESTRAINTS (I=J) : 477
# SEQUENTIAL RESTRAINTS (I-J)=1 : 441
# BACKBONE-BACKBONE : 119
# BACKBONE-SIDE CHAIN : 33
# SIDE CHAIN-SIDE CHAIN : 289
# MEDIUM RANGE RESTRAINTS 1<(I-J)<5 : 170
# BACKBONE-BACKBONE : 30
# BACKBONE-SIDE CHAIN : 32
# SIDE CHAIN-SIDE CHAIN : 108
# LONG RANGE RESTRAINTS (I-J)>=5 : 612
# TOTAL HYDROGEN BOND RESTRAINTS : 0
# LONG RANGE H-BOND RESTR. (I-J)>=5 : 0
# DISULFIDE RESTRAINTS : 0
# INTRA-CHAIN RESTRAINTS : 1700
# INTER-CHAIN RESTRAINTS : 0
# AMBIGUOUS RESTRAINTS : 0
# -----------------------------------------------------
# -----------------------------------------------------
# -----------------------------------------------------
# RES # INTRA INTER seq med lng InterChain
MET 1 3 2.5 0.0 2.5 0.0 0.0
ASN 2 0 3.0 2.0 0.0 1.0 0.0
TYR 3 4 21.0 4.5 3.5 13.0 0.0
LYS 4 8 13.0 3.0 6.0 4.0 0.0
ILE 5 12 18.0 3.0 2.0 13.0 0.0
SER 6 1 9.5 3.0 2.5 4.0 0.0
GLU 7 3 8.0 3.5 4.5 0.0 0.0
LEU 8 11 19.0 6.0 5.5 7.5 0.0
MET 9 6 16.0 7.0 7.0 2.0 0.0
PRO 10 0 16.0 6.0 0.5 9.5 0.0
ASN 11 3 8.5 3.5 0.0 5.0 0.0
LEU 12 13 19.5 5.5 10.5 3.5 0.0
SER 13 2 8.5 6.5 0.0 2.0 0.0
GLY 14 0 9.5 4.5 0.5 4.5 0.0
THR 15 3 17.0 5.0 1.5 10.5 0.0
ILE 16 10 15.5 5.5 0.5 9.5 0.0
ASN 17 4 19.5 5.5 1.5 12.5 0.0
ALA 18 0 12.5 4.0 1.0 7.5 0.0
GLU 19 2 6.5 2.0 0.0 4.5 0.0
VAL 20 5 17.5 2.5 1.5 13.5 0.0
VAL 21 5 20.0 4.5 0.5 15.0 0.0
ALA 22 0 11.5 4.5 1.5 5.5 0.0
ALA 23 1 10.0 3.0 1.0 6.0 0.0
TYR 24 6 13.5 7.0 1.0 5.5 0.0
PRO 25 0 7.5 7.5 0.0 0.0 0.0
LYS 26 13 6.0 4.5 0.0 1.5 0.0
LYS 27 5 12.5 6.5 0.0 6.0 0.0
GLU 28 6 7.5 6.5 0.0 1.0 0.0
PHE 29 3 15.5 5.5 2.0 8.0 0.0
SER 30 3 5.0 5.0 0.0 0.0 0.0
ARG 31 9 9.5 3.0 5.0 1.5 0.0
LYS 32 8 4.5 3.5 1.0 0.0 0.0
ASP 33 3 5.5 4.0 1.5 0.0 0.0
GLY 34 0 4.0 2.0 2.0 0.0 0.0
THR 35 2 4.5 3.0 1.5 0.0 0.0
LYS 36 7 3.5 3.5 0.0 0.0 0.0
GLY 37 0 5.0 2.0 0.0 3.0 0.0
GLN 38 7 13.5 3.5 0.0 10.0 0.0
LEU 39 11 26.0 5.5 1.5 19.0 0.0
LYS 40 8 16.5 6.5 1.5 8.5 0.0
SER 41 1 11.5 5.5 1.5 4.5 0.0
LEU 42 11 13.5 4.0 1.5 8.0 0.0
PHE 43 6 23.0 5.5 1.0 16.5 0.0
LEU 44 10 18.0 6.0 0.0 12.0 0.0
LYS 45 11 22.5 5.5 1.5 15.5 0.0
ASP 46 0 10.0 4.5 2.0 3.5 0.0
ASP 47 1 4.5 3.5 1.0 0.0 0.0
THR 48 2 12.0 3.5 0.5 8.0 0.0
GLY 49 0 6.5 2.5 2.0 2.0 0.0
SER 50 0 13.5 3.5 1.0 9.0 0.0
ILE 51 8 16.5 5.0 0.5 11.0 0.0
ARG 52 6 11.0 6.5 0.0 4.5 0.0
GLY 53 0 13.5 5.5 0.5 7.5 0.0
THR 54 3 13.5 3.0 2.0 8.5 0.0
LEU 55 10 21.0 4.5 2.5 14.0 0.0
TRP 56 9 19.5 5.5 4.5 9.5 0.0
ASN 57 3 10.0 4.5 2.5 3.0 0.0
GLU 58 3 6.5 4.5 1.0 1.0 0.0
LEU 59 12 20.0 5.0 10.5 4.5 0.0
ALA 60 1 19.5 4.0 3.0 12.5 0.0
ASP 61 3 5.5 4.0 1.5 0.0 0.0
PHE 62 5 24.5 4.5 8.0 12.0 0.0
GLU 63 5 6.5 6.5 0.0 0.0 0.0
VAL 64 4 21.0 7.5 5.5 8.0 0.0
LYS 65 12 9.5 5.0 2.5 2.0 0.0
LYS 66 9 13.0 5.0 0.5 7.5 0.0
GLY 67 0 4.5 3.5 0.0 1.0 0.0
ASP 68 3 15.0 3.0 5.0 7.0 0.0
ILE 69 9 17.0 5.5 0.0 11.5 0.0
ALA 70 0 12.5 4.0 0.5 8.0 0.0
GLU 71 7 19.5 3.0 0.0 16.5 0.0
VAL 72 5 17.5 4.0 1.0 12.5 0.0
SER 73 0 11.5 3.5 0.0 8.0 0.0
GLY 74 0 9.5 3.0 0.5 6.0 0.0
TYR 75 4 21.5 6.0 4.5 11.0 0.0
VAL 76 5 20.5 6.0 0.5 14.0 0.0
LYS 77 10 15.5 5.5 4.5 5.5 0.0
GLN 78 7 15.5 8.0 0.5 7.0 0.0
GLY 79 0 7.0 4.5 2.0 0.5 0.0
TYR 80 3 3.5 3.0 0.5 0.0 0.0
SER 81 0 3.5 3.5 0.0 0.0 0.0
GLY 82 0 3.5 2.5 1.0 0.0 0.0
LEU 83 11 14.5 3.5 1.5 9.5 0.0
GLU 84 4 9.0 5.0 0.0 4.0 0.0
ILE 85 7 22.0 5.5 1.5 15.0 0.0
SER 86 2 12.0 5.0 0.0 7.0 0.0
VAL 87 5 16.5 4.5 4.0 8.0 0.0
ASP 88 0 6.0 3.0 0.0 3.0 0.0
ASN 89 7 9.0 4.0 1.0 4.0 0.0
ILE 90 9 24.0 6.0 2.0 16.0 0.0
GLY 91 0 9.0 5.0 0.0 4.0 0.0
ILE 92 9 25.0 4.0 6.0 15.0 0.0
ILE 93 11 18.0 4.5 0.0 13.5 0.0
GLU 94 2 9.5 5.0 2.0 2.5 0.0
LYS 95 15 8.5 5.0 3.5 0.0 0.0
SER 96 0 5.5 5.5 0.0 0.0 0.0
LEU 97 12 6.0 6.0 0.0 0.0 0.0
GLU 98 8 3.0 3.0 0.0 0.0 0.0
# TOTAL 477 1223.0 441.0 170.0 612.0 0.0
# TOTAL NUMBER OF RESTRAINTS (CHECKING): 1700.0
List of conformationally-resticting NOE constraints
assign ((resid 59 and name HA )) ( (resid 62 and name HN )) 4.08 2.28 0.41
assign ((resid 20 and name HA )) ( (resid 21 and name HN )) 3.18 1.38 0.32
assign ((resid 91 and name HA2 )) ( (resid 92 and name HN )) 3.49 1.69 0.35
assign ((resid 96 and name HA )) ( (resid 97 and name HN )) 3.06 1.26 0.31
assign ((resid 5 and name HN )) ( (resid 5 and name HB )) 3.51 1.71 0.35
assign ((resid 15 and name HN )) ( (resid 15 and name HB )) 3.54 1.74 0.35
assign ((resid 16 and name HN )) ( (resid 72 and name HB )) 4.70 2.90 0.47
assign ((resid 20 and name HN )) ( (resid 20 and name HB )) 3.67 1.87 0.37
assign ((resid 21 and name HN )) ( (resid 21 and name HB )) 3.66 1.86 0.37
assign ((resid 23 and name HN )) ( (resid 23 and name HB* )) 3.31 1.51 0.33
assign ((resid 51 and name HN )) ( (resid 51 and name HB )) 3.87 2.07 0.39
assign ((resid 54 and name HN )) ( (resid 54 and name HB )) 3.76 1.96 0.38
assign ((resid 60 and name HN )) ( (resid 60 and name HB* )) 3.09 1.29 0.31
assign ((resid 69 and name HN )) ( (resid 69 and name HB )) 3.42 1.62 0.34
assign ((resid 72 and name HN )) ( (resid 72 and name HB )) 3.47 1.67 0.35
assign ((resid 76 and name HN )) ( (resid 76 and name HB )) 3.58 1.78 0.36
assign ((resid 85 and name HN )) ( (resid 85 and name HB )) 3.78 1.98 0.38
assign ((resid 87 and name HN )) ( (resid 87 and name HB )) 3.50 1.70 0.35
assign ((resid 92 and name HN )) ( (resid 92 and name HB )) 3.32 1.52 0.33
assign ((resid 93 and name HN )) ( (resid 93 and name HB )) 3.60 1.80 0.36
assign ((resid 7 and name HN )) ( (resid 7 and name HB2 )) 3.81 2.01 0.38
assign ((resid 13 and name HN )) ( (resid 13 and name HB2 )) 3.70 1.90 0.37
assign ((resid 24 and name HN )) ( (resid 24 and name HB2 )) 3.86 2.06 0.39
assign ((resid 26 and name HN )) ( (resid 26 and name HB* )) 3.12 1.32 0.31
assign ((resid 27 and name HN )) ( (resid 27 and name HB2 )) 3.79 1.99 0.38
assign ((resid 30 and name HN )) ( (resid 30 and name HB2 )) 3.80 2.00 0.38
assign ((resid 33 and name HN )) ( (resid 33 and name HB2 )) 3.75 1.95 0.38
assign ((resid 39 and name HN )) ( (resid 39 and name HB1 )) 3.77 1.97 0.38
assign ((resid 42 and name HN )) ( (resid 42 and name HB2 )) 3.56 1.76 0.36
assign ((resid 43 and name HN )) ( (resid 43 and name HB1 )) 3.51 1.71 0.35
assign ((resid 44 and name HN )) ( (resid 44 and name HB2 )) 3.76 1.96 0.38
assign ((resid 47 and name HN )) ( (resid 47 and name HB* )) 3.54 1.74 0.35
assign ((resid 52 and name HN )) ( (resid 52 and name HB2 )) 3.73 1.93 0.37
assign ((resid 55 and name HN )) ( (resid 55 and name HB1 )) 3.82 2.02 0.38
assign ((resid 56 and name HN )) ( (resid 56 and name HB2 )) 3.88 2.08 0.39
assign ((resid 56 and name HB2 )) ( (resid 57 and name HN )) 4.37 2.57 0.44
assign ((resid 58 and name HN )) ( (resid 58 and name HB* )) 3.57 1.77 0.36
assign ((resid 59 and name HN )) ( (resid 59 and name HB2 )) 3.12 1.32 0.31
assign ((resid 61 and name HN )) ( (resid 61 and name HB2 )) 3.54 1.74 0.35
assign ((resid 62 and name HN )) ( (resid 62 and name HB2 )) 3.28 1.48 0.33
assign ((resid 63 and name HN )) ( (resid 63 and name HB2 )) 3.23 1.43 0.32
assign ((resid 66 and name HN )) ( (resid 66 and name HB2 )) 2.93 1.13 0.29
assign ((resid 68 and name HN )) ( (resid 68 and name HB2 )) 3.85 2.05 0.38
assign ((resid 71 and name HN )) ( (resid 71 and name HB1 )) 3.52 1.72 0.35
assign ((resid 75 and name HN )) ( (resid 75 and name HB2 )) 3.73 1.93 0.37
assign ((resid 78 and name HN )) ( (resid 78 and name HB2 )) 3.35 1.55 0.34
assign ((resid 80 and name HN )) ( (resid 80 and name HB2 )) 3.85 2.05 0.38
assign ((resid 83 and name HN )) ( (resid 83 and name HB2 )) 3.23 1.43 0.32
assign ((resid 86 and name HN )) ( (resid 86 and name HB2 )) 3.77 1.97 0.38
assign ((resid 88 and name HB* )) ( (resid 89 and name HN )) 3.51 1.71 0.35
assign ((resid 89 and name HN )) ( (resid 89 and name HB2 )) 3.90 2.10 0.39
assign ((resid 69 and name HB )) ( (resid 94 and name HN )) 4.20 2.40 0.42
assign ((resid 97 and name HN )) ( (resid 97 and name HG )) 3.10 1.30 0.31
assign ((resid 98 and name HN )) ( (resid 98 and name HB2 )) 3.68 1.88 0.37
assign ((resid 12 and name HN )) ( (resid 12 and name HB1 )) 3.48 1.68 0.35
assign ((resid 13 and name HN )) ( (resid 13 and name HB1 )) 3.70 1.90 0.37
assign ((resid 19 and name HN )) ( (resid 19 and name HB* )) 3.27 1.47 0.33
assign ((resid 24 and name HN )) ( (resid 24 and name HB1 )) 3.86 2.06 0.39
assign ((resid 26 and name HB* )) ( (resid 27 and name HN )) 3.25 1.45 0.33
assign ((resid 28 and name HN )) ( (resid 28 and name HB* )) 3.29 1.49 0.33
assign ((resid 30 and name HN )) ( (resid 30 and name HB1 )) 3.80 2.00 0.38
assign ((resid 31 and name HN )) ( (resid 31 and name HB* )) 3.45 1.65 0.34
assign ((resid 33 and name HN )) ( (resid 33 and name HB1 )) 3.75 1.95 0.38
assign ((resid 36 and name HN )) ( (resid 36 and name HB* )) 3.08 1.28 0.31
assign ((resid 42 and name HN )) ( (resid 42 and name HB1 )) 3.89 2.09 0.39
assign ((resid 43 and name HN )) ( (resid 43 and name HB2 )) 3.57 1.77 0.36
assign ((resid 52 and name HN )) ( (resid 52 and name HB1 )) 3.73 1.93 0.37
assign ((resid 56 and name HN )) ( (resid 56 and name HB1 )) 3.88 2.08 0.39
assign ((resid 59 and name HN )) ( (resid 59 and name HB1 )) 3.68 1.88 0.37
assign ((resid 61 and name HN )) ( (resid 61 and name HB1 )) 3.54 1.74 0.35
assign ((resid 62 and name HN )) ( (resid 62 and name HB1 )) 3.28 1.48 0.33
assign ((resid 63 and name HN )) ( (resid 63 and name HB1 )) 3.23 1.43 0.32
assign ((resid 68 and name HN )) ( (resid 68 and name HB1 )) 3.85 2.05 0.38
assign ((resid 75 and name HN )) ( (resid 75 and name HB1 )) 3.67 1.87 0.37
assign ((resid 78 and name HN )) ( (resid 78 and name HB1 )) 3.35 1.55 0.34
assign ((resid 80 and name HN )) ( (resid 80 and name HB1 )) 3.85 2.05 0.38
assign ((resid 83 and name HN )) ( (resid 83 and name HB1 )) 3.82 2.02 0.38
assign ((resid 86 and name HN )) ( (resid 86 and name HB1 )) 3.77 1.97 0.38
assign ((resid 89 and name HN )) ( (resid 89 and name HB1 )) 3.90 2.10 0.39
assign ((resid 98 and name HN )) ( (resid 98 and name HB1 )) 3.68 1.88 0.37
assign ((resid 5 and name HN )) ( (resid 6 and name HN )) 4.20 2.40 0.42
assign ((resid 11 and name HN )) ( (resid 12 and name HN )) 3.47 1.67 0.35
assign ((resid 12 and name HN )) ( (resid 13 and name HN )) 4.72 2.92 0.47
assign ((resid 17 and name HN )) ( (resid 18 and name HN )) 4.16 2.36 0.42
assign ((resid 21 and name HN )) ( (resid 22 and name HN )) 3.14 1.34 0.31
assign ((resid 22 and name HN )) ( (resid 23 and name HN )) 4.51 2.71 0.45
assign ((resid 23 and name HN )) ( (resid 24 and name HN )) 4.47 2.67 0.45
assign ((resid 27 and name HN )) ( (resid 28 and name HN )) 4.68 2.88 0.47
assign ((resid 28 and name HN )) ( (resid 29 and name HN )) 4.53 2.73 0.45
assign ((resid 32 and name HN )) ( (resid 33 and name HN )) 4.61 2.81 0.46
assign ((resid 43 and name HN )) ( (resid 44 and name HN )) 4.78 2.98 0.48
assign ((resid 44 and name HN )) ( (resid 53 and name HN )) 5.01 3.21 0.50
assign ((resid 44 and name HN )) ( (resid 45 and name HN )) 4.81 3.01 0.48
assign ((resid 45 and name HN )) ( (resid 46 and name HN )) 4.56 2.76 0.46
assign ((resid 47 and name HN )) ( (resid 48 and name HN )) 3.82 2.02 0.38
assign ((resid 48 and name HN )) ( (resid 49 and name HN )) 3.13 1.33 0.31
assign ((resid 53 and name HN )) ( (resid 54 and name HN )) 4.52 2.72 0.45
assign ((resid 58 and name HN )) ( (resid 59 and name HN )) 3.88 2.08 0.39
assign ((resid 59 and name HN )) ( (resid 60 and name HN )) 3.37 1.57 0.34
assign ((resid 61 and name HN )) ( (resid 62 and name HN )) 3.26 1.46 0.33
assign ((resid 67 and name HN )) ( (resid 68 and name HN )) 3.58 1.78 0.36
assign ((resid 78 and name HN )) ( (resid 79 and name HN )) 5.50 3.70 0.55
assign ((resid 77 and name HN )) ( (resid 78 and name HN )) 4.57 2.77 0.46
assign ((resid 81 and name HN )) ( (resid 82 and name HN )) 4.15 2.35 0.42
assign ((resid 82 and name HN )) ( (resid 83 and name HN )) 4.62 2.82 0.46
assign ((resid 88 and name HN )) ( (resid 89 and name HN )) 3.22 1.42 0.32
assign ((resid 91 and name HN )) ( (resid 92 and name HN )) 4.42 2.62 0.44
assign ((resid 93 and name HN )) ( (resid 94 and name HN )) 3.75 1.95 0.38
assign ((resid 94 and name HN )) ( (resid 95 and name HN )) 4.34 2.54 0.43
assign ((resid 95 and name HN )) ( (resid 96 and name HN )) 4.74 2.94 0.47
assign ((resid 96 and name HN )) ( (resid 97 and name HN )) 4.77 2.97 0.48
assign ((resid 2 and name HA )) ( (resid 3 and name HN )) 3.26 1.46 0.33
assign ((resid 3 and name HA )) ( (resid 4 and name HN )) 3.36 1.56 0.34
assign ((resid 8 and name HA )) ( (resid 9 and name HN )) 3.13 1.33 0.31
assign ((resid 10 and name HA )) ( (resid 11 and name HN )) 3.17 1.37 0.32
assign ((resid 12 and name HA )) ( (resid 13 and name HN )) 2.91 1.11 0.29
assign ((resid 13 and name HA )) ( (resid 14 and name HN )) 3.09 1.29 0.31
assign ((resid 15 and name HA )) ( (resid 16 and name HN )) 3.38 1.58 0.34
assign ((resid 16 and name HA )) ( (resid 17 and name HN )) 3.16 1.36 0.32
assign ((resid 17 and name HA )) ( (resid 18 and name HN )) 3.08 1.28 0.31
assign ((resid 18 and name HA )) ( (resid 19 and name HN )) 3.29 1.49 0.33
assign ((resid 19 and name HA )) ( (resid 20 and name HN )) 3.31 1.51 0.33
assign ((resid 22 and name HA )) ( (resid 23 and name HN )) 2.90 1.10 0.29
assign ((resid 23 and name HA )) ( (resid 24 and name HN )) 3.00 1.20 0.30
assign ((resid 25 and name HA )) ( (resid 26 and name HN )) 2.95 1.15 0.30
assign ((resid 26 and name HA )) ( (resid 27 and name HN )) 3.03 1.23 0.30
assign ((resid 27 and name HA )) ( (resid 28 and name HN )) 2.79 0.99 0.28
assign ((resid 28 and name HA )) ( (resid 29 and name HN )) 2.91 1.11 0.29
assign ((resid 29 and name HA )) ( (resid 30 and name HN )) 3.08 1.28 0.31
assign ((resid 30 and name HA )) ( (resid 31 and name HN )) 2.95 1.15 0.30
assign ((resid 35 and name HA )) ( (resid 36 and name HN )) 2.91 1.11 0.29
assign ((resid 36 and name HA )) ( (resid 37 and name HN )) 3.04 1.24 0.30
assign ((resid 38 and name HA )) ( (resid 39 and name HN )) 3.18 1.38 0.32
assign ((resid 39 and name HA )) ( (resid 40 and name HN )) 3.34 1.54 0.33
assign ((resid 40 and name HA )) ( (resid 41 and name HN )) 3.33 1.53 0.33
assign ((resid 41 and name HA )) ( (resid 42 and name HN )) 3.02 1.22 0.30
assign ((resid 42 and name HA )) ( (resid 43 and name HN )) 3.14 1.34 0.31
assign ((resid 43 and name HA )) ( (resid 44 and name HN )) 3.15 1.35 0.32
assign ((resid 44 and name HA )) ( (resid 45 and name HN )) 3.21 1.41 0.32
assign ((resid 45 and name HA )) ( (resid 46 and name HN )) 3.22 1.42 0.32
assign ((resid 50 and name HA )) ( (resid 51 and name HN )) 3.26 1.46 0.33
assign ((resid 51 and name HA )) ( (resid 52 and name HN )) 3.25 1.45 0.33
assign ((resid 52 and name HA )) ( (resid 53 and name HN )) 3.24 1.44 0.32
assign ((resid 54 and name HA )) ( (resid 55 and name HN )) 3.23 1.43 0.32
assign ((resid 55 and name HA )) ( (resid 56 and name HN )) 3.20 1.40 0.32
assign ((resid 56 and name HA )) ( (resid 57 and name HN )) 3.26 1.46 0.33
assign ((resid 62 and name HA )) ( (resid 63 and name HN )) 2.89 1.09 0.29
assign ((resid 63 and name HA )) ( (resid 64 and name HN )) 2.83 1.03 0.28
assign ((resid 64 and name HA )) ( (resid 65 and name HN )) 3.01 1.21 0.30
assign ((resid 65 and name HA )) ( (resid 66 and name HN )) 3.04 1.24 0.30
assign ((resid 66 and name HA )) ( (resid 67 and name HN )) 3.01 1.21 0.30
assign ((resid 68 and name HA )) ( (resid 69 and name HN )) 3.08 1.28 0.31
assign ((resid 69 and name HA )) ( (resid 70 and name HN )) 3.26 1.46 0.33
assign ((resid 70 and name HA )) ( (resid 71 and name HN )) 3.19 1.39 0.32
assign ((resid 71 and name HA )) ( (resid 72 and name HN )) 3.18 1.38 0.32
assign ((resid 72 and name HA )) ( (resid 73 and name HN )) 3.14 1.34 0.31
assign ((resid 73 and name HA )) ( (resid 74 and name HN )) 3.22 1.42 0.32
assign ((resid 75 and name HA )) ( (resid 76 and name HN )) 3.30 1.50 0.33
assign ((resid 76 and name HA )) ( (resid 77 and name HN )) 3.13 1.33 0.31
assign ((resid 77 and name HA )) ( (resid 78 and name HN )) 3.10 1.30 0.31
assign ((resid 78 and name HA )) ( (resid 79 and name HN )) 3.01 1.21 0.30
assign ((resid 83 and name HA )) ( (resid 84 and name HN )) 3.18 1.38 0.32
assign ((resid 84 and name HA )) ( (resid 85 and name HN )) 3.10 1.30 0.31
assign ((resid 85 and name HA )) ( (resid 86 and name HN )) 3.22 1.42 0.32
assign ((resid 86 and name HA )) ( (resid 87 and name HN )) 3.38 1.58 0.34
assign ((resid 87 and name HA )) ( (resid 88 and name HN )) 3.35 1.55 0.34
assign ((resid 89 and name HA )) ( (resid 90 and name HN )) 2.94 1.14 0.29
assign ((resid 90 and name HA )) ( (resid 91 and name HN )) 3.19 1.39 0.32
assign ((resid 92 and name HA )) ( (resid 93 and name HN )) 3.26 1.46 0.33
assign ((resid 94 and name HA )) ( (resid 95 and name HN )) 2.95 1.15 0.30
assign ((resid 95 and name HA )) ( (resid 96 and name HN )) 3.21 1.41 0.32
assign ((resid 97 and name HA )) ( (resid 98 and name HN )) 3.50 1.70 0.35
assign ((resid 8 and name HN )) ( (resid 8 and name HG )) 3.36 1.56 0.34
assign ((resid 12 and name HN )) ( (resid 12 and name HB2 )) 3.48 1.68 0.35
assign ((resid 39 and name HN )) ( (resid 39 and name HG )) 4.42 2.62 0.44
assign ((resid 42 and name HN )) ( (resid 42 and name HG )) 3.62 1.82 0.36
assign ((resid 44 and name HN )) ( (resid 44 and name HG )) 3.84 2.04 0.38
assign ((resid 55 and name HN )) ( (resid 55 and name HG )) 3.99 2.19 0.40
assign ((resid 59 and name HN )) ( (resid 59 and name HG )) 3.32 1.52 0.33
assign ((resid 83 and name HN )) ( (resid 83 and name HG )) 3.07 1.27 0.31
assign ((resid 4 and name HN )) ( (resid 4 and name HG* )) 4.20 2.40 0.42
assign ((resid 5 and name HN )) ( (resid 5 and name HG2* )) 3.85 2.05 0.38
assign ((resid 9 and name HN )) ( (resid 9 and name HG2 )) 4.20 2.40 0.42
assign ((resid 15 and name HN )) ( (resid 15 and name HG2* )) 4.25 2.45 0.43
assign ((resid 16 and name HN )) ( (resid 16 and name HG2* )) 3.83 2.03 0.38
assign ((resid 19 and name HN )) ( (resid 19 and name HG* )) 4.22 2.42 0.42
assign ((resid 20 and name HN )) ( (resid 20 and name HG2* )) 3.32 1.52 0.33
assign ((resid 26 and name HN )) ( (resid 26 and name HG* )) 3.70 1.90 0.37
assign ((resid 28 and name HN )) ( (resid 28 and name HG2 )) 3.85 2.05 0.38
assign ((resid 31 and name HN )) ( (resid 31 and name HG2 )) 4.13 2.33 0.41
assign ((resid 35 and name HN )) ( (resid 35 and name HG2* )) 3.34 1.54 0.33
assign ((resid 36 and name HN )) ( (resid 36 and name HG2 )) 4.10 2.30 0.41
assign ((resid 38 and name HN )) ( (resid 38 and name HG2 )) 4.31 2.51 0.43
assign ((resid 45 and name HN )) ( (resid 45 and name HG2 )) 4.15 2.35 0.42
assign ((resid 48 and name HN )) ( (resid 48 and name HG2* )) 3.63 1.83 0.36
assign ((resid 51 and name HN )) ( (resid 51 and name HG2* )) 3.39 1.59 0.34
assign ((resid 54 and name HN )) ( (resid 54 and name HG2* )) 4.33 2.53 0.43
assign ((resid 58 and name HN )) ( (resid 58 and name HG* )) 4.02 2.22 0.40
assign ((resid 64 and name HN )) ( (resid 64 and name HG2* )) 4.04 2.24 0.40
assign ((resid 65 and name HN )) ( (resid 65 and name HG2 )) 4.37 2.57 0.44
assign ((resid 69 and name HN )) ( (resid 69 and name HD1* )) 3.69 1.89 0.37
assign ((resid 71 and name HN )) ( (resid 71 and name HG2 )) 5.13 3.33 0.51
assign ((resid 72 and name HN )) ( (resid 72 and name HG2* )) 3.51 1.71 0.35
assign ((resid 76 and name HN )) ( (resid 76 and name HG2* )) 3.38 1.58 0.34
assign ((resid 78 and name HN )) ( (resid 78 and name HG2 )) 4.87 3.07 0.49
assign ((resid 84 and name HN )) ( (resid 84 and name HG2 )) 4.16 2.36 0.42
assign ((resid 85 and name HN )) ( (resid 85 and name HG2* )) 3.31 1.51 0.33
assign ((resid 87 and name HN )) ( (resid 87 and name HG2* )) 3.16 1.36 0.32
assign ((resid 90 and name HN )) ( (resid 90 and name HG2* )) 3.30 1.50 0.33
assign ((resid 92 and name HN )) ( (resid 92 and name HG2* )) 3.93 2.13 0.39
assign ((resid 94 and name HN )) ( (resid 94 and name HG* )) 4.34 2.54 0.43
assign ((resid 95 and name HN )) ( (resid 95 and name HG2 )) 4.14 2.34 0.41
assign ((resid 98 and name HN )) ( (resid 98 and name HG2 )) 4.05 2.25 0.41
assign ((resid 7 and name HN )) ( (resid 7 and name HB1 )) 3.81 2.01 0.38
assign ((resid 7 and name HN )) ( (resid 7 and name HG* )) 4.18 2.38 0.42
assign ((resid 9 and name HN )) ( (resid 9 and name HG1 )) 4.20 2.40 0.42
assign ((resid 27 and name HN )) ( (resid 27 and name HG* )) 3.94 2.14 0.39
assign ((resid 28 and name HN )) ( (resid 28 and name HG1 )) 3.85 2.05 0.38
assign ((resid 31 and name HN )) ( (resid 31 and name HG1 )) 4.13 2.33 0.41
assign ((resid 36 and name HN )) ( (resid 36 and name HG1 )) 4.10 2.30 0.41
assign ((resid 38 and name HN )) ( (resid 38 and name HG1 )) 4.31 2.51 0.43
assign ((resid 40 and name HN )) ( (resid 60 and name HB* )) 3.73 1.93 0.37
assign ((resid 66 and name HN )) ( (resid 66 and name HG1 )) 4.64 2.84 0.46
assign ((resid 77 and name HN )) ( (resid 77 and name HG1 )) 4.20 2.40 0.42
assign ((resid 69 and name HN )) ( (resid 94 and name HG* )) 5.34 3.54 0.53
assign ((resid 84 and name HN )) ( (resid 84 and name HG1 )) 4.16 2.36 0.42
assign ((resid 95 and name HN )) ( (resid 95 and name HG1 )) 4.14 2.34 0.41
assign ((resid 98 and name HN )) ( (resid 98 and name HG1 )) 4.05 2.25 0.41
assign ((resid 5 and name HN )) ( (resid 5 and name HD1* )) 3.92 2.12 0.39
assign ((resid 8 and name HN )) ( (resid 8 and name HD1* )) 3.77 1.97 0.38
assign ((resid 12 and name HN )) ( (resid 76 and name HG2* )) 5.50 3.70 0.55
assign ((resid 16 and name HN )) ( (resid 16 and name HD1* )) 4.06 2.26 0.41
assign ((resid 42 and name HN )) ( (resid 42 and name HD1* )) 4.39 2.59 0.44
assign ((resid 44 and name HN )) ( (resid 44 and name HD1* )) 4.05 2.25 0.41
assign ((resid 55 and name HN )) ( (resid 55 and name HD1* )) 4.32 2.52 0.43
assign ((resid 59 and name HN )) ( (resid 59 and name HD1* )) 4.18 2.38 0.42
assign ((resid 69 and name HN )) ( (resid 69 and name HG2* )) 4.25 2.45 0.43
assign ((resid 83 and name HN )) ( (resid 83 and name HD1* )) 3.88 2.08 0.39
assign ((resid 51 and name HD1* )) ( (resid 85 and name HN )) 4.42 2.62 0.44
assign ((resid 90 and name HN )) ( (resid 90 and name HG11 )) 5.17 3.37 0.52
assign ((resid 92 and name HN )) ( (resid 92 and name HD1* )) 3.80 2.00 0.38
assign ((resid 69 and name HG2* )) ( (resid 93 and name HN )) 4.63 2.83 0.46
assign ((resid 97 and name HN )) ( (resid 97 and name HD1* )) 4.45 2.65 0.44
assign ((resid 3 and name HN )) ( (resid 3 and name HD* )) 4.10 2.30 0.41
assign ((resid 8 and name HN )) ( (resid 8 and name HD2* )) 4.00 2.20 0.40
assign ((resid 12 and name HN )) ( (resid 12 and name HD2* )) 4.13 2.33 0.41
assign ((resid 12 and name HN )) ( (resid 76 and name HG1* )) 4.58 2.78 0.46
assign ((resid 29 and name HN )) ( (resid 29 and name HD* )) 3.83 2.03 0.38
assign ((resid 31 and name HN )) ( (resid 31 and name HD2 )) 5.06 3.26 0.51
assign ((resid 39 and name HN )) ( (resid 39 and name HD2* )) 4.63 2.83 0.46
assign ((resid 42 and name HN )) ( (resid 42 and name HD2* )) 4.42 2.62 0.44
assign ((resid 24 and name HD* )) ( (resid 43 and name HN )) 5.07 3.27 0.51
assign ((resid 44 and name HN )) ( (resid 44 and name HD2* )) 4.21 2.41 0.42
assign ((resid 42 and name HD1* )) ( (resid 55 and name HN )) 4.75 2.95 0.47
assign ((resid 59 and name HN )) ( (resid 59 and name HD2* )) 4.04 2.24 0.40
assign ((resid 75 and name HN )) ( (resid 75 and name HD* )) 4.64 2.84 0.46
assign ((resid 77 and name HN )) ( (resid 77 and name HD* )) 4.54 2.74 0.45
assign ((resid 83 and name HN )) ( (resid 83 and name HD2* )) 3.93 2.13 0.39
assign ((resid 95 and name HN )) ( (resid 95 and name HD* )) 4.50 2.70 0.45
assign ((resid 97 and name HN )) ( (resid 97 and name HD2* )) 4.45 2.65 0.44
assign ((resid 27 and name HN )) ( (resid 27 and name HD* )) 4.25 2.45 0.43
assign ((resid 31 and name HN )) ( (resid 31 and name HD1 )) 5.06 3.26 0.51
assign ((resid 36 and name HN )) ( (resid 36 and name HD2 )) 5.50 3.70 0.55
assign ((resid 36 and name HN )) ( (resid 36 and name HD1 )) 5.50 3.70 0.55
assign ((resid 32 and name HN )) ( (resid 32 and name HD* )) 4.14 2.34 0.41
assign ((resid 65 and name HN )) ( (resid 65 and name HD* )) 4.48 2.68 0.45
assign ((resid 66 and name HN )) ( (resid 66 and name HB1 )) 2.93 1.13 0.29
assign ((resid 5 and name HN )) ( (resid 5 and name HG12 )) 3.94 2.14 0.39
assign ((resid 16 and name HN )) ( (resid 16 and name HG12 )) 4.58 2.78 0.46
assign ((resid 69 and name HN )) ( (resid 69 and name HG12 )) 3.89 2.09 0.39
assign ((resid 90 and name HN )) ( (resid 90 and name HG12 )) 4.55 2.75 0.46
assign ((resid 92 and name HN )) ( (resid 92 and name HG12 )) 3.79 1.99 0.38
assign ((resid 93 and name HN )) ( (resid 93 and name HG12 )) 4.05 2.25 0.41
assign ((resid 5 and name HN )) ( (resid 5 and name HG11 )) 3.94 2.14 0.39
assign ((resid 15 and name HG2* )) ( (resid 16 and name HN )) 3.36 1.56 0.34
assign ((resid 69 and name HN )) ( (resid 69 and name HG11 )) 3.89 2.09 0.39
assign ((resid 92 and name HN )) ( (resid 92 and name HG11 )) 3.79 1.99 0.38
assign ((resid 93 and name HN )) ( (resid 93 and name HG11 )) 4.05 2.25 0.41
assign ((resid 9 and name HN )) ( (resid 9 and name HE* )) 4.69 2.89 0.47
assign ((resid 20 and name HN )) ( (resid 20 and name HG1* )) 3.88 2.08 0.39
assign ((resid 64 and name HN )) ( (resid 64 and name HG1* )) 3.23 1.43 0.32
assign ((resid 76 and name HN )) ( (resid 76 and name HG1* )) 4.35 2.55 0.44
assign ((resid 87 and name HN )) ( (resid 87 and name HG1* )) 3.92 2.12 0.39
assign ((resid 11 and name HB2 )) ( (resid 11 and name HD22 )) 3.88 2.08 0.39
assign ((resid 57 and name HB2 )) ( (resid 57 and name HD22 )) 4.04 2.24 0.40
assign ((resid 11 and name HB1 )) ( (resid 11 and name HD22 )) 3.88 2.08 0.39
assign ((resid 32 and name HN )) ( (resid 34 and name HN )) 5.30 3.50 0.53
assign ((resid 32 and name HA )) ( (resid 34 and name HN )) 4.23 2.43 0.42
assign ((resid 33 and name HB2 )) ( (resid 34 and name HN )) 4.79 2.99 0.48
assign ((resid 33 and name HB1 )) ( (resid 34 and name HN )) 4.79 2.99 0.48
assign ((resid 31 and name HB* )) ( (resid 34 and name HN )) 4.28 2.48 0.43
assign ((resid 34 and name HN )) ( (resid 35 and name HG2* )) 4.79 2.99 0.48
assign ((resid 79 and name HN )) ( (resid 82 and name HN )) 4.60 2.80 0.46
assign ((resid 80 and name HA )) ( (resid 82 and name HN )) 4.34 2.54 0.43
assign ((resid 81 and name HB* )) ( (resid 82 and name HN )) 4.24 2.44 0.42
assign ((resid 17 and name HA )) ( (resid 17 and name HD22 )) 4.68 2.88 0.47
assign ((resid 17 and name HD22 )) ( (resid 71 and name HA )) 4.78 2.98 0.48
assign ((resid 17 and name HD22 )) ( (resid 71 and name HG2 )) 5.39 3.59 0.54
assign ((resid 17 and name HD22 )) ( (resid 71 and name HB1 )) 5.11 3.31 0.51
assign ((resid 17 and name HD22 )) ( (resid 71 and name HG1 )) 5.39 3.59 0.54
assign ((resid 15 and name HG2* )) ( (resid 17 and name HD22 )) 4.90 3.10 0.49
assign ((resid 17 and name HD22 )) ( (resid 93 and name HD1* )) 4.18 2.38 0.42
assign ((resid 17 and name HD21 )) ( (resid 72 and name HN )) 5.50 3.70 0.55
assign ((resid 17 and name HA )) ( (resid 17 and name HD21 )) 4.68 2.88 0.47
assign ((resid 17 and name HD21 )) ( (resid 71 and name HA )) 4.78 2.98 0.48
assign ((resid 17 and name HD21 )) ( (resid 71 and name HG2 )) 5.39 3.59 0.54
assign ((resid 17 and name HD21 )) ( (resid 71 and name HB1 )) 5.11 3.31 0.51
assign ((resid 17 and name HD21 )) ( (resid 71 and name HG1 )) 5.39 3.59 0.54
assign ((resid 15 and name HG2* )) ( (resid 17 and name HD21 )) 4.90 3.10 0.49
assign ((resid 17 and name HD21 )) ( (resid 93 and name HD1* )) 4.18 2.38 0.42
assign ((resid 52 and name HB2 )) ( (resid 53 and name HN )) 4.74 2.94 0.47
assign ((resid 44 and name HB2 )) ( (resid 53 and name HN )) 5.10 3.30 0.51
assign ((resid 42 and name HB2 )) ( (resid 53 and name HN )) 4.33 2.53 0.43
assign ((resid 44 and name HG )) ( (resid 53 and name HN )) 4.78 2.98 0.48
assign ((resid 53 and name HN )) ( (resid 85 and name HG2* )) 4.63 2.83 0.46
assign ((resid 43 and name HA )) ( (resid 53 and name HN )) 4.08 2.28 0.41
assign ((resid 14 and name HN )) ( (resid 75 and name HA )) 4.36 2.56 0.44
assign ((resid 13 and name HB1 )) ( (resid 14 and name HN )) 4.06 2.26 0.41
assign ((resid 14 and name HN )) ( (resid 76 and name HG2* )) 4.64 2.84 0.46
assign ((resid 12 and name HD2* )) ( (resid 14 and name HN )) 4.61 2.81 0.46
assign ((resid 14 and name HN )) ( (resid 15 and name HN )) 4.43 2.63 0.44
assign ((resid 46 and name HN )) ( (resid 49 and name HN )) 3.71 1.91 0.37
assign ((resid 49 and name HN )) ( (resid 50 and name HN )) 4.42 2.62 0.44
assign ((resid 45 and name HA )) ( (resid 49 and name HN )) 5.32 3.52 0.53
assign ((resid 47 and name HA )) ( (resid 49 and name HN )) 4.59 2.79 0.46
assign ((resid 5 and name HB )) ( (resid 49 and name HN )) 4.14 2.34 0.41
assign ((resid 48 and name HG2* )) ( (resid 49 and name HN )) 4.26 2.46 0.43
assign ((resid 5 and name HD1* )) ( (resid 49 and name HN )) 4.32 2.52 0.43
assign ((resid 5 and name HG2* )) ( (resid 49 and name HN )) 4.10 2.30 0.41
assign ((resid 47 and name HN )) ( (resid 49 and name HN )) 4.50 2.70 0.45
assign ((resid 36 and name HB* )) ( (resid 37 and name HN )) 3.81 2.01 0.38
assign ((resid 47 and name HB* )) ( (resid 48 and name HN )) 4.79 2.99 0.48
assign ((resid 78 and name HA )) ( (resid 78 and name HE21 )) 4.80 3.00 0.48
assign ((resid 78 and name HE21 )) ( (resid 79 and name HA2 )) 4.62 2.82 0.46
assign ((resid 78 and name HE21 )) ( (resid 83 and name HD2* )) 4.72 2.92 0.47
assign ((resid 78 and name HE21 )) ( (resid 79 and name HN )) 4.59 2.79 0.46
assign ((resid 78 and name HE22 )) ( (resid 79 and name HA2 )) 5.50 3.70 0.55
assign ((resid 78 and name HE22 )) ( (resid 83 and name HD2* )) 5.26 3.46 0.53
assign ((resid 45 and name HA )) ( (resid 50 and name HN )) 4.83 3.03 0.48
assign ((resid 49 and name HA* )) ( (resid 50 and name HN )) 2.94 1.14 0.29
assign ((resid 45 and name HB2 )) ( (resid 50 and name HN )) 5.50 3.70 0.55
assign ((resid 50 and name HN )) ( (resid 51 and name HB )) 5.50 3.70 0.55
assign ((resid 5 and name HD1* )) ( (resid 50 and name HN )) 4.70 2.90 0.47
assign ((resid 5 and name HG2* )) ( (resid 50 and name HN )) 3.58 1.78 0.36
assign ((resid 73 and name HB1 )) ( (resid 74 and name HN )) 4.26 2.46 0.43
assign ((resid 15 and name HG2* )) ( (resid 74 and name HN )) 4.62 2.82 0.46
assign ((resid 74 and name HN )) ( (resid 85 and name HD1* )) 3.93 2.13 0.39
assign ((resid 72 and name HG1* )) ( (resid 74 and name HN )) 4.68 2.88 0.47
assign ((resid 15 and name HA )) ( (resid 74 and name HN )) 3.89 2.09 0.39
assign ((resid 14 and name HN )) ( (resid 74 and name HN )) 4.28 2.48 0.43
assign ((resid 74 and name HN )) ( (resid 75 and name HN )) 4.80 3.00 0.48
assign ((resid 71 and name HN )) ( (resid 91 and name HN )) 3.77 1.97 0.38
assign ((resid 72 and name HA )) ( (resid 91 and name HN )) 4.50 2.70 0.45
assign ((resid 71 and name HB1 )) ( (resid 91 and name HN )) 4.28 2.48 0.43
assign ((resid 90 and name HB )) ( (resid 91 and name HN )) 4.34 2.54 0.43
assign ((resid 70 and name HB* )) ( (resid 91 and name HN )) 4.20 2.40 0.42
assign ((resid 72 and name HG2* )) ( (resid 91 and name HN )) 4.34 2.54 0.43
assign ((resid 90 and name HG11 )) ( (resid 91 and name HN )) 3.51 1.71 0.35
assign ((resid 90 and name HG2* )) ( (resid 91 and name HN )) 4.56 2.76 0.46
assign ((resid 38 and name HE22 )) ( (resid 60 and name HB* )) 4.03 2.23 0.40
assign ((resid 60 and name HB* )) ( (resid 61 and name HN )) 4.17 2.37 0.42
assign ((resid 59 and name HA )) ( (resid 61 and name HN )) 4.31 2.51 0.43
assign ((resid 38 and name HE22 )) ( (resid 58 and name HA )) 4.42 2.62 0.44
assign ((resid 58 and name HA )) ( (resid 61 and name HN )) 5.01 3.21 0.50
assign ((resid 60 and name HN )) ( (resid 61 and name HN )) 3.26 1.46 0.33
assign ((resid 80 and name HB2 )) ( (resid 81 and name HN )) 4.93 3.13 0.49
assign ((resid 80 and name HB1 )) ( (resid 81 and name HN )) 4.93 3.13 0.49
assign ((resid 33 and name HN )) ( (resid 35 and name HN )) 4.37 2.57 0.44
assign ((resid 35 and name HN )) ( (resid 36 and name HN )) 4.60 2.80 0.46
assign ((resid 31 and name HB* )) ( (resid 35 and name HN )) 4.00 2.20 0.40
assign ((resid 29 and name HE* )) ( (resid 38 and name HN )) 4.16 2.36 0.42
assign ((resid 38 and name HN )) ( (resid 57 and name HN )) 4.12 2.32 0.41
assign ((resid 38 and name HN )) ( (resid 39 and name HN )) 4.59 2.79 0.46
assign ((resid 37 and name HA2 )) ( (resid 38 and name HN )) 3.28 1.48 0.33
assign ((resid 38 and name HN )) ( (resid 57 and name HA )) 3.84 2.04 0.38
assign ((resid 37 and name HA1 )) ( (resid 38 and name HN )) 3.28 1.48 0.33
assign ((resid 46 and name HB2 )) ( (resid 47 and name HN )) 4.04 2.24 0.40
assign ((resid 46 and name HB1 )) ( (resid 47 and name HN )) 4.04 2.24 0.40
assign ((resid 47 and name HN )) ( (resid 48 and name HG2* )) 4.49 2.69 0.45
assign ((resid 11 and name HN )) ( (resid 77 and name HA )) 4.06 2.26 0.41
assign ((resid 10 and name HB2 )) ( (resid 11 and name HN )) 4.17 2.37 0.42
assign ((resid 11 and name HN )) ( (resid 76 and name HB )) 4.63 2.83 0.46
assign ((resid 10 and name HB1 )) ( (resid 11 and name HN )) 4.17 2.37 0.42
assign ((resid 11 and name HN )) ( (resid 76 and name HG1* )) 4.42 2.62 0.44
assign ((resid 6 and name HN )) ( (resid 48 and name HB )) 4.13 2.33 0.41
assign ((resid 4 and name HB2 )) ( (resid 6 and name HN )) 4.30 2.50 0.43
assign ((resid 4 and name HB1 )) ( (resid 6 and name HN )) 4.30 2.50 0.43
assign ((resid 6 and name HN )) ( (resid 48 and name HG2* )) 4.12 2.32 0.41
assign ((resid 5 and name HD1* )) ( (resid 6 and name HN )) 5.33 3.53 0.53
assign ((resid 6 and name HN )) ( (resid 8 and name HD1* )) 5.50 3.70 0.55
assign ((resid 5 and name HG2* )) ( (resid 6 and name HN )) 4.11 2.31 0.41
assign ((resid 6 and name HN )) ( (resid 7 and name HN )) 4.06 2.26 0.41
assign ((resid 33 and name HN )) ( (resid 34 and name HN )) 3.50 1.70 0.35
assign ((resid 31 and name HA )) ( (resid 33 and name HN )) 4.61 2.81 0.46
assign ((resid 32 and name HB* )) ( (resid 33 and name HN )) 3.65 1.85 0.37
assign ((resid 32 and name HD* )) ( (resid 33 and name HN )) 4.76 2.96 0.48
assign ((resid 32 and name HG2 )) ( (resid 33 and name HN )) 5.50 3.70 0.55
assign ((resid 32 and name HG1 )) ( (resid 33 and name HN )) 5.50 3.70 0.55
assign ((resid 14 and name HA1 )) ( (resid 15 and name HN )) 3.56 1.76 0.36
assign ((resid 14 and name HA2 )) ( (resid 15 and name HN )) 3.56 1.76 0.36
assign ((resid 2 and name HA )) ( (resid 15 and name HN )) 4.27 2.47 0.43
assign ((resid 3 and name HN )) ( (resid 15 and name HN )) 4.42 2.62 0.44
assign ((resid 13 and name HN )) ( (resid 14 and name HN )) 4.81 3.01 0.48
assign ((resid 12 and name HG )) ( (resid 13 and name HN )) 3.56 1.76 0.36
assign ((resid 12 and name HB1 )) ( (resid 13 and name HN )) 4.37 2.57 0.44
assign ((resid 12 and name HD1* )) ( (resid 13 and name HN )) 3.94 2.14 0.39
assign ((resid 12 and name HD2* )) ( (resid 13 and name HN )) 4.24 2.44 0.42
assign ((resid 79 and name HN )) ( (resid 83 and name HA )) 3.62 1.82 0.36
assign ((resid 78 and name HB2 )) ( (resid 79 and name HN )) 4.18 2.38 0.42
assign ((resid 78 and name HB1 )) ( (resid 79 and name HN )) 4.18 2.38 0.42
assign ((resid 79 and name HN )) ( (resid 83 and name HD2* )) 4.34 2.54 0.43
assign ((resid 29 and name HB2 )) ( (resid 30 and name HN )) 4.19 2.39 0.42
assign ((resid 29 and name HB1 )) ( (resid 30 and name HN )) 4.19 2.39 0.42
assign ((resid 20 and name HB )) ( (resid 67 and name HN )) 4.08 2.28 0.41
assign ((resid 66 and name HG2 )) ( (resid 67 and name HN )) 4.42 2.62 0.44
assign ((resid 66 and name HG1 )) ( (resid 67 and name HN )) 4.42 2.62 0.44
assign ((resid 20 and name HG1* )) ( (resid 67 and name HN )) 3.95 2.15 0.40
assign ((resid 8 and name HB2 )) ( (resid 9 and name HN )) 3.96 2.16 0.40
assign ((resid 8 and name HB1 )) ( (resid 9 and name HN )) 3.96 2.16 0.40
assign ((resid 9 and name HN )) ( (resid 12 and name HD1* )) 3.96 2.16 0.40
assign ((resid 9 and name HN )) ( (resid 12 and name HD2* )) 3.85 2.05 0.38
assign ((resid 9 and name HN )) ( (resid 76 and name HG1* )) 4.12 2.32 0.41
assign ((resid 8 and name HD2* )) ( (resid 9 and name HN )) 3.90 2.10 0.39
assign ((resid 8 and name HN )) ( (resid 9 and name HN )) 4.94 3.14 0.49
assign ((resid 5 and name HA )) ( (resid 8 and name HN )) 4.26 2.46 0.43
assign ((resid 7 and name HB1 )) ( (resid 8 and name HN )) 4.81 3.01 0.48
assign ((resid 7 and name HG* )) ( (resid 8 and name HN )) 5.19 3.39 0.52
assign ((resid 7 and name HB2 )) ( (resid 8 and name HN )) 4.81 3.01 0.48
assign ((resid 74 and name HA1 )) ( (resid 89 and name HN )) 4.57 2.77 0.46
assign ((resid 87 and name HA )) ( (resid 89 and name HN )) 3.93 2.13 0.39
assign ((resid 87 and name HG1* )) ( (resid 89 and name HN )) 3.30 1.50 0.33
assign ((resid 89 and name HN )) ( (resid 90 and name HN )) 4.56 2.76 0.46
assign ((resid 73 and name HN )) ( (resid 89 and name HN )) 4.01 2.21 0.40
assign ((resid 53 and name HA2 )) ( (resid 54 and name HN )) 3.39 1.59 0.34
assign ((resid 54 and name HN )) ( (resid 86 and name HA )) 4.13 2.33 0.41
assign ((resid 53 and name HA1 )) ( (resid 54 and name HN )) 3.56 1.76 0.36
assign ((resid 54 and name HN )) ( (resid 87 and name HG2* )) 3.38 1.58 0.34
assign ((resid 95 and name HB2 )) ( (resid 96 and name HN )) 4.49 2.69 0.45
assign ((resid 95 and name HB1 )) ( (resid 96 and name HN )) 4.49 2.69 0.45
assign ((resid 22 and name HN )) ( (resid 43 and name HN )) 3.51 1.71 0.35
assign ((resid 22 and name HN )) ( (resid 43 and name HB1 )) 3.70 1.90 0.37
assign ((resid 21 and name HB )) ( (resid 22 and name HN )) 3.61 1.81 0.36
assign ((resid 21 and name HG1* )) ( (resid 22 and name HN )) 4.13 2.33 0.41
assign ((resid 21 and name HG2* )) ( (resid 22 and name HN )) 3.70 1.90 0.37
assign ((resid 20 and name HG1* )) ( (resid 22 and name HN )) 3.43 1.63 0.34
assign ((resid 83 and name HD2* )) ( (resid 84 and name HN )) 4.01 2.21 0.40
assign ((resid 83 and name HB1 )) ( (resid 84 and name HN )) 3.83 2.03 0.38
assign ((resid 78 and name HA )) ( (resid 84 and name HN )) 4.24 2.44 0.42
assign ((resid 77 and name HN )) ( (resid 84 and name HN )) 4.27 2.47 0.43
assign ((resid 16 and name HN )) ( (resid 73 and name HA )) 4.27 2.47 0.43
assign ((resid 15 and name HB )) ( (resid 16 and name HN )) 4.80 3.00 0.48
assign ((resid 59 and name HN )) ( (resid 60 and name HB* )) 4.44 2.64 0.44
assign ((resid 58 and name HG* )) ( (resid 59 and name HN )) 4.14 2.34 0.41
assign ((resid 58 and name HB* )) ( (resid 59 and name HN )) 3.93 2.13 0.39
assign ((resid 57 and name HB2 )) ( (resid 59 and name HN )) 4.59 2.79 0.46
assign ((resid 57 and name HB1 )) ( (resid 59 and name HN )) 4.59 2.79 0.46
assign ((resid 59 and name HN )) ( (resid 61 and name HN )) 4.80 3.00 0.48
assign ((resid 39 and name HA )) ( (resid 57 and name HN )) 5.11 3.31 0.51
assign ((resid 56 and name HB1 )) ( (resid 57 and name HN )) 4.37 2.57 0.44
assign ((resid 57 and name HN )) ( (resid 60 and name HB* )) 4.26 2.46 0.43
assign ((resid 12 and name HN )) ( (resid 76 and name HB )) 3.66 1.86 0.37
assign ((resid 10 and name HA )) ( (resid 12 and name HN )) 4.12 2.32 0.41
assign ((resid 11 and name HB2 )) ( (resid 12 and name HN )) 4.59 2.79 0.46
assign ((resid 12 and name HN )) ( (resid 76 and name HN )) 4.25 2.45 0.43
assign ((resid 29 and name HE* )) ( (resid 39 and name HN )) 4.72 2.92 0.47
assign ((resid 28 and name HA )) ( (resid 39 and name HN )) 4.40 2.60 0.44
assign ((resid 26 and name HA )) ( (resid 39 and name HN )) 4.78 2.98 0.48
assign ((resid 26 and name HB* )) ( (resid 39 and name HN )) 4.42 2.62 0.44
assign ((resid 39 and name HN )) ( (resid 60 and name HB* )) 4.43 2.63 0.44
assign ((resid 35 and name HG2* )) ( (resid 36 and name HN )) 3.82 2.02 0.38
assign ((resid 35 and name HB )) ( (resid 36 and name HN )) 3.17 1.37 0.32
assign ((resid 29 and name HN )) ( (resid 30 and name HN )) 4.60 2.80 0.46
assign ((resid 28 and name HB* )) ( (resid 29 and name HN )) 3.41 1.61 0.34
assign ((resid 75 and name HN )) ( (resid 85 and name HG11 )) 4.51 2.71 0.45
assign ((resid 75 and name HN )) ( (resid 85 and name HD1* )) 4.81 3.01 0.48
assign ((resid 75 and name HN )) ( (resid 85 and name HG12 )) 4.51 2.71 0.45
assign ((resid 75 and name HN )) ( (resid 86 and name HB2 )) 4.80 3.00 0.48
assign ((resid 75 and name HN )) ( (resid 86 and name HB1 )) 4.80 3.00 0.48
assign ((resid 75 and name HN )) ( (resid 87 and name HA )) 4.47 2.67 0.45
assign ((resid 74 and name HA1 )) ( (resid 75 and name HN )) 3.44 1.64 0.34
assign ((resid 74 and name HA2 )) ( (resid 75 and name HN )) 3.55 1.75 0.35
assign ((resid 75 and name HN )) ( (resid 76 and name HN )) 4.62 2.82 0.46
assign ((resid 66 and name HN )) ( (resid 67 and name HN )) 4.54 2.74 0.45
assign ((resid 20 and name HG1* )) ( (resid 66 and name HN )) 4.46 2.66 0.45
assign ((resid 23 and name HB* )) ( (resid 66 and name HN )) 4.33 2.53 0.43
assign ((resid 55 and name HD1* )) ( (resid 60 and name HN )) 5.16 3.36 0.52
assign ((resid 59 and name HD2* )) ( (resid 60 and name HN )) 5.50 3.70 0.55
assign ((resid 59 and name HB2 )) ( (resid 60 and name HN )) 4.11 2.31 0.41
assign ((resid 59 and name HB1 )) ( (resid 60 and name HN )) 4.37 2.57 0.44
assign ((resid 55 and name HB1 )) ( (resid 60 and name HN )) 4.72 2.92 0.47
assign ((resid 58 and name HA )) ( (resid 60 and name HN )) 4.69 2.89 0.47
assign ((resid 2 and name HB2 )) ( (resid 3 and name HN )) 4.27 2.47 0.43
assign ((resid 4 and name HN )) ( (resid 7 and name HN )) 4.67 2.87 0.47
assign ((resid 3 and name HN )) ( (resid 16 and name HA )) 4.38 2.58 0.44
assign ((resid 3 and name HB2 )) ( (resid 4 and name HN )) 4.54 2.74 0.45
assign ((resid 4 and name HN )) ( (resid 7 and name HB2 )) 4.22 2.42 0.42
assign ((resid 2 and name HB1 )) ( (resid 3 and name HN )) 4.27 2.47 0.43
assign ((resid 4 and name HN )) ( (resid 7 and name HB1 )) 4.22 2.42 0.42
assign ((resid 4 and name HN )) ( (resid 7 and name HG* )) 4.61 2.81 0.46
assign ((resid 3 and name HB1 )) ( (resid 4 and name HN )) 4.54 2.74 0.45
assign ((resid 44 and name HD2* )) ( (resid 45 and name HN )) 3.92 2.12 0.39
assign ((resid 5 and name HD1* )) ( (resid 45 and name HN )) 4.44 2.64 0.44
assign ((resid 18 and name HB* )) ( (resid 45 and name HN )) 3.75 1.95 0.38
assign ((resid 19 and name HB* )) ( (resid 45 and name HN )) 5.35 3.55 0.54
assign ((resid 45 and name HN )) ( (resid 45 and name HG1 )) 4.20 2.40 0.42
assign ((resid 20 and name HA )) ( (resid 45 and name HN )) 4.80 3.00 0.48
assign ((resid 19 and name HN )) ( (resid 45 and name HN )) 3.92 2.12 0.39
assign ((resid 97 and name HB2 )) ( (resid 98 and name HN )) 4.30 2.50 0.43
assign ((resid 97 and name HB1 )) ( (resid 98 and name HN )) 4.30 2.50 0.43
assign ((resid 7 and name HN )) ( (resid 8 and name HG )) 4.37 2.57 0.44
assign ((resid 7 and name HN )) ( (resid 8 and name HN )) 3.41 1.61 0.34
assign ((resid 69 and name HN )) ( (resid 70 and name HN )) 4.82 3.02 0.48
assign ((resid 10 and name HA )) ( (resid 78 and name HN )) 4.46 2.66 0.45
assign ((resid 68 and name HB2 )) ( (resid 69 and name HN )) 4.19 2.39 0.42
assign ((resid 68 and name HB1 )) ( (resid 69 and name HN )) 4.19 2.39 0.42
assign ((resid 10 and name HG1 )) ( (resid 78 and name HN )) 4.42 2.62 0.44
assign ((resid 69 and name HN )) ( (resid 92 and name HG2* )) 3.95 2.15 0.40
assign ((resid 76 and name HG1* )) ( (resid 78 and name HN )) 4.77 2.97 0.48
assign ((resid 41 and name HB2 )) ( (resid 42 and name HN )) 4.49 2.69 0.45
assign ((resid 41 and name HB1 )) ( (resid 42 and name HN )) 4.49 2.69 0.45
assign ((resid 42 and name HN )) ( (resid 54 and name HA )) 4.11 2.31 0.41
assign ((resid 54 and name HN )) ( (resid 85 and name HN )) 4.86 3.06 0.49
assign ((resid 53 and name HA2 )) ( (resid 85 and name HN )) 3.85 2.05 0.38
assign ((resid 53 and name HA1 )) ( (resid 85 and name HN )) 4.88 3.08 0.49
assign ((resid 84 and name HB1 )) ( (resid 85 and name HN )) 4.13 2.33 0.41
assign ((resid 84 and name HB2 )) ( (resid 85 and name HN )) 4.13 2.33 0.41
assign ((resid 73 and name HN )) ( (resid 90 and name HA )) 4.41 2.61 0.44
assign ((resid 72 and name HB )) ( (resid 73 and name HN )) 4.55 2.75 0.46
assign ((resid 72 and name HG1* )) ( (resid 73 and name HN )) 3.35 1.55 0.34
assign ((resid 5 and name HD1* )) ( (resid 51 and name HN )) 3.79 1.99 0.38
assign ((resid 44 and name HB1 )) ( (resid 51 and name HN )) 4.89 3.09 0.49
assign ((resid 44 and name HB2 )) ( (resid 51 and name HN )) 4.33 2.53 0.43
assign ((resid 45 and name HB1 )) ( (resid 51 and name HN )) 4.96 3.16 0.50
assign ((resid 50 and name HB* )) ( (resid 51 and name HN )) 3.50 1.70 0.35
assign ((resid 45 and name HA )) ( (resid 51 and name HN )) 3.87 2.07 0.39
assign ((resid 44 and name HN )) ( (resid 51 and name HN )) 4.05 2.25 0.41
assign ((resid 82 and name HA2 )) ( (resid 83 and name HN )) 3.35 1.55 0.34
assign ((resid 82 and name HA1 )) ( (resid 83 and name HN )) 3.35 1.55 0.34
assign ((resid 18 and name HB* )) ( (resid 19 and name HN )) 3.39 1.59 0.34
assign ((resid 19 and name HN )) ( (resid 44 and name HD2* )) 4.04 2.24 0.40
assign ((resid 59 and name HD1* )) ( (resid 90 and name HN )) 4.13 2.33 0.41
assign ((resid 87 and name HG1* )) ( (resid 90 and name HN )) 3.98 2.18 0.40
assign ((resid 55 and name HD2* )) ( (resid 90 and name HN )) 4.30 2.50 0.43
assign ((resid 27 and name HB2 )) ( (resid 28 and name HN )) 3.70 1.90 0.37
assign ((resid 27 and name HB1 )) ( (resid 28 and name HN )) 3.66 1.86 0.37
assign ((resid 27 and name HG* )) ( (resid 28 and name HN )) 4.00 2.20 0.40
assign ((resid 68 and name HN )) ( (resid 69 and name HN )) 4.80 3.00 0.48
assign ((resid 66 and name HA )) ( (resid 68 and name HN )) 4.11 2.31 0.41
assign ((resid 20 and name HB )) ( (resid 68 and name HN )) 3.65 1.85 0.37
assign ((resid 20 and name HG1* )) ( (resid 68 and name HN )) 4.64 2.84 0.46
assign ((resid 39 and name HB2 )) ( (resid 40 and name HN )) 4.17 2.37 0.42
assign ((resid 39 and name HD1* )) ( (resid 40 and name HN )) 4.07 2.27 0.41
assign ((resid 40 and name HN )) ( (resid 54 and name HG2* )) 4.07 2.27 0.41
assign ((resid 39 and name HB1 )) ( (resid 40 and name HN )) 4.37 2.57 0.44
assign ((resid 40 and name HN )) ( (resid 56 and name HA )) 4.57 2.77 0.46
assign ((resid 56 and name HN )) ( (resid 87 and name HB )) 4.71 2.91 0.47
assign ((resid 56 and name HN )) ( (resid 59 and name HB2 )) 4.23 2.43 0.42
assign ((resid 56 and name HN )) ( (resid 59 and name HB1 )) 5.05 3.25 0.51
assign ((resid 55 and name HB1 )) ( (resid 56 and name HN )) 4.67 2.87 0.47
assign ((resid 55 and name HB2 )) ( (resid 56 and name HN )) 4.63 2.83 0.46
assign ((resid 55 and name HD1* )) ( (resid 56 and name HN )) 5.23 3.43 0.52
assign ((resid 55 and name HD2* )) ( (resid 56 and name HN )) 4.00 2.20 0.40
assign ((resid 39 and name HD2* )) ( (resid 40 and name HN )) 4.84 3.04 0.48
assign ((resid 16 and name HD1* )) ( (resid 17 and name HN )) 4.31 2.51 0.43
assign ((resid 16 and name HG2* )) ( (resid 17 and name HN )) 3.63 1.83 0.36
assign ((resid 16 and name HB )) ( (resid 17 and name HN )) 3.28 1.48 0.33
assign ((resid 93 and name HB )) ( (resid 94 and name HN )) 3.81 2.01 0.38
assign ((resid 92 and name HG2* )) ( (resid 94 and name HN )) 3.71 1.91 0.37
assign ((resid 69 and name HG2* )) ( (resid 94 and name HN )) 4.68 2.88 0.47
assign ((resid 92 and name HA )) ( (resid 94 and name HN )) 4.64 2.84 0.46
assign ((resid 69 and name HN )) ( (resid 94 and name HN )) 4.48 2.68 0.45
assign ((resid 91 and name HA1 )) ( (resid 92 and name HN )) 3.49 1.69 0.35
assign ((resid 71 and name HN )) ( (resid 93 and name HG12 )) 4.21 2.41 0.42
assign ((resid 71 and name HN )) ( (resid 93 and name HG11 )) 4.21 2.41 0.42
assign ((resid 62 and name HZ )) ( (resid 92 and name HN )) 4.07 2.27 0.41
assign ((resid 71 and name HN )) ( (resid 92 and name HA )) 3.95 2.15 0.40
assign ((resid 70 and name HA )) ( (resid 92 and name HN )) 4.55 2.75 0.46
assign ((resid 25 and name HB1 )) ( (resid 26 and name HN )) 4.00 2.20 0.40
assign ((resid 25 and name HB2 )) ( (resid 26 and name HN )) 4.00 2.20 0.40
assign ((resid 26 and name HN )) ( (resid 27 and name HN )) 4.63 2.83 0.46
assign ((resid 23 and name HA )) ( (resid 43 and name HN )) 4.38 2.58 0.44
assign ((resid 42 and name HB1 )) ( (resid 43 and name HN )) 3.77 1.97 0.38
assign ((resid 42 and name HB2 )) ( (resid 43 and name HN )) 4.24 2.44 0.42
assign ((resid 20 and name HG1* )) ( (resid 43 and name HN )) 3.97 2.17 0.40
assign ((resid 42 and name HD2* )) ( (resid 43 and name HN )) 3.76 1.96 0.38
assign ((resid 40 and name HG2 )) ( (resid 41 and name HN )) 4.28 2.48 0.43
assign ((resid 40 and name HB2 )) ( (resid 41 and name HN )) 5.01 3.21 0.50
assign ((resid 40 and name HB1 )) ( (resid 41 and name HN )) 5.01 3.21 0.50
assign ((resid 40 and name HG1 )) ( (resid 41 and name HN )) 4.28 2.48 0.43
assign ((resid 30 and name HB2 )) ( (resid 31 and name HN )) 4.34 2.54 0.43
assign ((resid 30 and name HB1 )) ( (resid 31 and name HN )) 4.34 2.54 0.43
assign ((resid 31 and name HN )) ( (resid 37 and name HN )) 4.62 2.82 0.46
assign ((resid 31 and name HN )) ( (resid 35 and name HN )) 4.78 2.98 0.48
assign ((resid 97 and name HN )) ( (resid 98 and name HN )) 4.20 2.40 0.42
assign ((resid 96 and name HB2 )) ( (resid 97 and name HN )) 4.26 2.46 0.43
assign ((resid 96 and name HB1 )) ( (resid 97 and name HN )) 4.26 2.46 0.43
assign ((resid 23 and name HB* )) ( (resid 24 and name HN )) 3.58 1.78 0.36
assign ((resid 24 and name HN )) ( (resid 42 and name HD2* )) 3.97 2.17 0.40
assign ((resid 24 and name HN )) ( (resid 42 and name HA )) 4.10 2.30 0.41
assign ((resid 24 and name HN )) ( (resid 41 and name HN )) 5.15 3.35 0.52
assign ((resid 26 and name HG* )) ( (resid 27 and name HN )) 3.88 2.08 0.39
assign ((resid 27 and name HN )) ( (resid 39 and name HD1* )) 5.06 3.26 0.51
assign ((resid 27 and name HN )) ( (resid 38 and name HA )) 5.50 3.70 0.55
assign ((resid 27 and name HN )) ( (resid 39 and name HN )) 3.83 2.03 0.38
assign ((resid 18 and name HN )) ( (resid 70 and name HN )) 4.20 2.40 0.42
assign ((resid 18 and name HN )) ( (resid 71 and name HA )) 4.26 2.46 0.43
assign ((resid 17 and name HB2 )) ( (resid 18 and name HN )) 4.43 2.63 0.44
assign ((resid 17 and name HB1 )) ( (resid 18 and name HN )) 4.43 2.63 0.44
assign ((resid 16 and name HB )) ( (resid 18 and name HN )) 5.50 3.70 0.55
assign ((resid 18 and name HN )) ( (resid 72 and name HB )) 5.50 3.70 0.55
assign ((resid 18 and name HN )) ( (resid 44 and name HD2* )) 4.86 3.06 0.49
assign ((resid 18 and name HN )) ( (resid 72 and name HG2* )) 5.39 3.59 0.54
assign ((resid 63 and name HG2 )) ( (resid 64 and name HN )) 4.55 2.75 0.46
assign ((resid 62 and name HD* )) ( (resid 64 and name HN )) 4.51 2.71 0.45
assign ((resid 64 and name HN )) ( (resid 65 and name HN )) 4.62 2.82 0.46
assign ((resid 60 and name HA )) ( (resid 62 and name HN )) 4.65 2.85 0.47
assign ((resid 61 and name HB1 )) ( (resid 62 and name HN )) 5.02 3.22 0.50
assign ((resid 55 and name HD1* )) ( (resid 62 and name HN )) 4.21 2.41 0.42
assign ((resid 22 and name HB* )) ( (resid 23 and name HN )) 3.29 1.49 0.33
assign ((resid 20 and name HG1* )) ( (resid 23 and name HN )) 4.47 2.67 0.45
assign ((resid 92 and name HG2* )) ( (resid 95 and name HN )) 4.33 2.53 0.43
assign ((resid 77 and name HN )) ( (resid 85 and name HA )) 4.14 2.34 0.41
assign ((resid 77 and name HN )) ( (resid 77 and name HG2 )) 4.20 2.40 0.42
assign ((resid 76 and name HG2* )) ( (resid 77 and name HN )) 4.33 2.53 0.43
assign ((resid 76 and name HG1* )) ( (resid 77 and name HN )) 3.38 1.58 0.34
assign ((resid 51 and name HG2* )) ( (resid 52 and name HN )) 3.97 2.17 0.40
assign ((resid 52 and name HN )) ( (resid 84 and name HA )) 4.21 2.41 0.42
assign ((resid 52 and name HN )) ( (resid 53 and name HN )) 4.97 3.17 0.50
assign ((resid 52 and name HN )) ( (resid 85 and name HN )) 5.50 3.70 0.55
assign ((resid 85 and name HG12 )) ( (resid 86 and name HN )) 3.86 2.06 0.39
assign ((resid 85 and name HG11 )) ( (resid 86 and name HN )) 3.86 2.06 0.39
assign ((resid 85 and name HG2* )) ( (resid 86 and name HN )) 4.18 2.38 0.42
assign ((resid 76 and name HA )) ( (resid 86 and name HN )) 4.16 2.36 0.42
assign ((resid 86 and name HN )) ( (resid 87 and name HN )) 4.75 2.95 0.47
assign ((resid 75 and name HN )) ( (resid 86 and name HN )) 4.19 2.39 0.42
assign ((resid 20 and name HN )) ( (resid 69 and name HA )) 4.14 2.34 0.41
assign ((resid 5 and name HD1* )) ( (resid 46 and name HN )) 3.43 1.63 0.34
assign ((resid 5 and name HG2* )) ( (resid 46 and name HN )) 4.93 3.13 0.49
assign ((resid 45 and name HB1 )) ( (resid 46 and name HN )) 4.12 2.32 0.41
assign ((resid 45 and name HB2 )) ( (resid 46 and name HN )) 3.97 2.17 0.40
assign ((resid 45 and name HG1 )) ( (resid 46 and name HN )) 3.94 2.14 0.39
assign ((resid 18 and name HB* )) ( (resid 46 and name HN )) 5.00 3.20 0.50
assign ((resid 46 and name HN )) ( (resid 50 and name HB* )) 4.70 2.90 0.47
assign ((resid 46 and name HN )) ( (resid 50 and name HA )) 3.99 2.19 0.40
assign ((resid 46 and name HN )) ( (resid 48 and name HN )) 4.82 3.02 0.48
assign ((resid 41 and name HA )) ( (resid 55 and name HN )) 4.66 2.86 0.47
assign ((resid 54 and name HB )) ( (resid 55 and name HN )) 4.79 2.99 0.48
assign ((resid 54 and name HG2* )) ( (resid 55 and name HN )) 3.70 1.90 0.37
assign ((resid 64 and name HG2* )) ( (resid 65 and name HN )) 3.35 1.55 0.34
assign ((resid 64 and name HG1* )) ( (resid 65 and name HN )) 4.19 2.39 0.42
assign ((resid 64 and name HB )) ( (resid 65 and name HN )) 4.10 2.30 0.41
assign ((resid 65 and name HN )) ( (resid 68 and name HB1 )) 4.67 2.87 0.47
assign ((resid 65 and name HN )) ( (resid 68 and name HB2 )) 4.67 2.87 0.47
assign ((resid 65 and name HN )) ( (resid 66 and name HN )) 4.72 2.92 0.47
assign ((resid 65 and name HN )) ( (resid 68 and name HN )) 4.73 2.93 0.47
assign ((resid 73 and name HN )) ( (resid 88 and name HN )) 4.79 2.99 0.48
assign ((resid 75 and name HN )) ( (resid 88 and name HN )) 4.80 3.00 0.48
assign ((resid 74 and name HA1 )) ( (resid 88 and name HN )) 4.05 2.25 0.41
assign ((resid 74 and name HA2 )) ( (resid 88 and name HN )) 4.07 2.27 0.41
assign ((resid 87 and name HG1* )) ( (resid 88 and name HN )) 3.70 1.90 0.37
assign ((resid 87 and name HG2* )) ( (resid 88 and name HN )) 4.31 2.51 0.43
assign ((resid 57 and name HB2 )) ( (resid 58 and name HN )) 3.66 1.86 0.37
assign ((resid 57 and name HB1 )) ( (resid 58 and name HN )) 3.66 1.86 0.37
assign ((resid 16 and name HN )) ( (resid 72 and name HN )) 4.24 2.44 0.42
assign ((resid 17 and name HA )) ( (resid 72 and name HN )) 4.07 2.27 0.41
assign ((resid 71 and name HB2 )) ( (resid 72 and name HN )) 4.58 2.78 0.46
assign ((resid 16 and name HG12 )) ( (resid 72 and name HN )) 4.88 3.08 0.49
assign ((resid 15 and name HG2* )) ( (resid 72 and name HN )) 4.52 2.72 0.45
assign ((resid 16 and name HG11 )) ( (resid 72 and name HN )) 4.88 3.08 0.49
assign ((resid 44 and name HN )) ( (resid 51 and name HG2* )) 4.21 2.41 0.42
assign ((resid 43 and name HB2 )) ( (resid 44 and name HN )) 4.49 2.69 0.45
assign ((resid 44 and name HN )) ( (resid 52 and name HA )) 4.24 2.44 0.42
assign ((resid 43 and name HD* )) ( (resid 44 and name HN )) 4.49 2.69 0.45
assign ((resid 13 and name HA )) ( (resid 76 and name HN )) 4.11 2.31 0.41
assign ((resid 75 and name HB2 )) ( (resid 76 and name HN )) 4.48 2.68 0.45
assign ((resid 75 and name HB1 )) ( (resid 76 and name HN )) 4.69 2.89 0.47
assign ((resid 54 and name HG2* )) ( (resid 56 and name HE1 )) 3.82 2.02 0.38
assign ((resid 54 and name HB )) ( (resid 56 and name HE1 )) 3.78 1.98 0.38
assign ((resid 56 and name HE1 )) ( (resid 86 and name HA )) 4.23 2.43 0.42
assign ((resid 56 and name HE1 )) ( (resid 87 and name HN )) 4.84 3.04 0.48
assign ((resid 70 and name HA )) ( (resid 93 and name HN )) 3.82 2.02 0.38
assign ((resid 69 and name HB )) ( (resid 93 and name HN )) 4.49 2.69 0.45
assign ((resid 92 and name HB )) ( (resid 93 and name HN )) 4.82 3.02 0.48
assign ((resid 92 and name HG2* )) ( (resid 93 and name HN )) 3.50 1.70 0.35
assign ((resid 55 and name HA )) ( (resid 87 and name HN )) 4.79 2.99 0.48
assign ((resid 19 and name HA )) ( (resid 70 and name HN )) 4.08 2.28 0.41
assign ((resid 69 and name HB )) ( (resid 70 and name HN )) 4.38 2.58 0.44
assign ((resid 69 and name HG2* )) ( (resid 70 and name HN )) 3.26 1.46 0.33
assign ((resid 62 and name HB2 )) ( (resid 63 and name HN )) 4.39 2.59 0.44
assign ((resid 62 and name HB1 )) ( (resid 63 and name HN )) 4.39 2.59 0.44
assign ((resid 63 and name HN )) ( (resid 64 and name HN )) 4.47 2.67 0.45
assign ((resid 62 and name HD* )) ( (resid 63 and name HN )) 4.30 2.50 0.43
assign ((resid 21 and name HN )) ( (resid 44 and name HA )) 4.02 2.22 0.40
assign ((resid 20 and name HG1* )) ( (resid 21 and name HN )) 3.89 2.09 0.39
assign ((resid 89 and name HA )) ( (resid 89 and name HD21 )) 4.65 2.85 0.47
assign ((resid 93 and name HN )) ( (resid 93 and name HG2* )) 3.86 2.06 0.39
assign ((resid 38 and name HE21 )) ( (resid 60 and name HB* )) 4.03 2.23 0.40
assign ((resid 38 and name HE21 )) ( (resid 58 and name HA )) 4.42 2.62 0.44
assign ((resid 31 and name HB* )) ( (resid 33 and name HN )) 3.47 1.67 0.35
assign ((resid 8 and name HN )) ( (resid 12 and name HD2* )) 5.41 3.61 0.54
assign ((resid 22 and name HN )) ( (resid 44 and name HA )) 5.38 3.58 0.54
assign ((resid 22 and name HN )) ( (resid 42 and name HA )) 5.29 3.49 0.53
assign ((resid 3 and name HN )) ( (resid 15 and name HB )) 4.53 2.73 0.45
assign ((resid 73 and name HN )) ( (resid 85 and name HD1* )) 5.43 3.63 0.54
assign ((resid 73 and name HN )) ( (resid 90 and name HG11 )) 5.50 3.70 0.55
assign ((resid 79 and name HN )) ( (resid 83 and name HN )) 4.88 3.08 0.49
assign ((resid 19 and name HN )) ( (resid 46 and name HA )) 4.90 3.10 0.49
assign ((resid 20 and name HN )) ( (resid 68 and name HN )) 4.33 2.53 0.43
assign ((resid 56 and name HD1 )) ( (resid 87 and name HN )) 4.87 3.07 0.49
assign ((resid 21 and name HN )) ( (resid 43 and name HB1 )) 4.74 2.94 0.47
assign ((resid 31 and name HN )) ( (resid 34 and name HN )) 4.81 3.01 0.48
assign ((resid 17 and name HD22 )) ( (resid 72 and name HN )) 5.50 3.70 0.55
assign ((resid 89 and name HA )) ( (resid 89 and name HD22 )) 4.65 2.85 0.47
assign ((resid 5 and name HB )) ( (resid 6 and name HN )) 3.88 2.08 0.39
assign ((resid 22 and name HN )) ( (resid 43 and name HB2 )) 3.83 2.03 0.38
assign ((resid 79 and name HN )) ( (resid 84 and name HN )) 4.31 2.51 0.43
assign ((resid 29 and name HN )) ( (resid 39 and name HN )) 5.18 3.38 0.52
assign ((resid 79 and name HN )) ( (resid 80 and name HN )) 4.98 3.18 0.50
assign ((resid 51 and name HD1* )) ( (resid 52 and name HN )) 3.93 2.13 0.39
assign ((resid 90 and name HG12 )) ( (resid 91 and name HN )) 3.66 1.86 0.37
assign ((resid 4 and name HA )) ( (resid 6 and name HN )) 4.81 3.01 0.48
assign ((resid 11 and name HB1 )) ( (resid 12 and name HN )) 4.59 2.79 0.46
assign ((resid 9 and name HE* )) ( (resid 12 and name HD1* )) 4.17 2.37 0.42
assign ((resid 9 and name HE* )) ( (resid 12 and name HD2* )) 4.28 2.48 0.43
assign ((resid 8 and name HA )) ( (resid 9 and name HE* )) 4.55 2.75 0.46
assign ((resid 1 and name HE* )) ( (resid 3 and name HE* )) 4.65 2.85 0.47
assign ((resid 71 and name HA )) ( (resid 71 and name HG1 )) 4.16 2.36 0.42
assign ((resid 20 and name HA )) ( (resid 20 and name HG2* )) 3.51 1.71 0.35
assign ((resid 28 and name HA )) ( (resid 28 and name HG2 )) 4.08 2.28 0.41
assign ((resid 5 and name HG2* )) ( (resid 51 and name HA )) 4.19 2.39 0.42
assign ((resid 58 and name HA )) ( (resid 58 and name HG* )) 3.56 1.76 0.36
assign ((resid 71 and name HA )) ( (resid 71 and name HG2 )) 4.16 2.36 0.42
assign ((resid 87 and name HA )) ( (resid 87 and name HG2* )) 3.58 1.78 0.36
assign ((resid 95 and name HA )) ( (resid 95 and name HG2 )) 4.13 2.33 0.41
assign ((resid 98 and name HA )) ( (resid 98 and name HG2 )) 3.99 2.19 0.40
assign ((resid 28 and name HA )) ( (resid 28 and name HG1 )) 4.08 2.28 0.41
assign ((resid 95 and name HA )) ( (resid 95 and name HG1 )) 4.13 2.33 0.41
assign ((resid 98 and name HA )) ( (resid 98 and name HG1 )) 3.99 2.19 0.40
assign ((resid 59 and name HA )) ( (resid 59 and name HG )) 3.75 1.95 0.38
assign ((resid 5 and name HA )) ( (resid 8 and name HD1* )) 3.59 1.79 0.36
assign ((resid 8 and name HA )) ( (resid 8 and name HD1* )) 4.22 2.42 0.42
assign ((resid 42 and name HA )) ( (resid 42 and name HD1* )) 4.67 2.87 0.47
assign ((resid 44 and name HA )) ( (resid 44 and name HD1* )) 4.37 2.57 0.44
assign ((resid 51 and name HA )) ( (resid 51 and name HD1* )) 3.65 1.85 0.37
assign ((resid 55 and name HA )) ( (resid 55 and name HD1* )) 4.64 2.84 0.46
assign ((resid 59 and name HA )) ( (resid 59 and name HD1* )) 3.95 2.15 0.40
assign ((resid 62 and name HA )) ( (resid 62 and name HD* )) 4.00 2.20 0.40
assign ((resid 90 and name HA )) ( (resid 90 and name HG11 )) 3.91 2.11 0.39
assign ((resid 97 and name HA )) ( (resid 97 and name HD1* )) 4.10 2.30 0.41
assign ((resid 32 and name HA )) ( (resid 32 and name HD* )) 3.98 2.18 0.40
assign ((resid 59 and name HA )) ( (resid 59 and name HD2* )) 3.44 1.64 0.34
assign ((resid 4 and name HA )) ( (resid 4 and name HD1 )) 3.84 2.04 0.38
assign ((resid 5 and name HA )) ( (resid 5 and name HG12 )) 4.13 2.33 0.41
assign ((resid 90 and name HA )) ( (resid 90 and name HG12 )) 3.76 1.96 0.38
assign ((resid 5 and name HA )) ( (resid 5 and name HG11 )) 4.13 2.33 0.41
assign ((resid 15 and name HG2* )) ( (resid 16 and name HA )) 4.44 2.64 0.44
assign ((resid 64 and name HA )) ( (resid 92 and name HD1* )) 3.97 2.17 0.40
assign ((resid 87 and name HA )) ( (resid 87 and name HG1* )) 3.78 1.98 0.38
assign ((resid 95 and name HA )) ( (resid 95 and name HE* )) 5.42 3.62 0.54
assign ((resid 5 and name HG2* )) ( (resid 51 and name HB )) 3.66 1.86 0.37
assign ((resid 77 and name HB2 )) ( (resid 77 and name HD* )) 2.97 1.17 0.30
assign ((resid 83 and name HB2 )) ( (resid 83 and name HD2* )) 3.42 1.62 0.34
assign ((resid 26 and name HB* )) ( (resid 26 and name HD1 )) 3.71 1.91 0.37
assign ((resid 65 and name HB1 )) ( (resid 65 and name HD* )) 3.92 2.12 0.39
assign ((resid 57 and name HB1 )) ( (resid 57 and name HD22 )) 4.04 2.24 0.40
assign ((resid 12 and name HN )) ( (resid 12 and name HG )) 4.66 2.86 0.47
assign ((resid 39 and name HB1 )) ( (resid 39 and name HG )) 2.77 0.97 0.28
assign ((resid 63 and name HN )) ( (resid 63 and name HG2 )) 4.64 2.84 0.46
assign ((resid 66 and name HN )) ( (resid 66 and name HG2 )) 4.64 2.84 0.46
assign ((resid 63 and name HN )) ( (resid 63 and name HG1 )) 4.64 2.84 0.46
assign ((resid 65 and name HN )) ( (resid 65 and name HG1 )) 4.37 2.57 0.44
assign ((resid 71 and name HN )) ( (resid 71 and name HG1 )) 5.13 3.33 0.51
assign ((resid 78 and name HN )) ( (resid 78 and name HG1 )) 4.87 3.07 0.49
assign ((resid 76 and name HG2* )) ( (resid 85 and name HD1* )) 3.25 1.45 0.33
assign ((resid 26 and name HG* )) ( (resid 26 and name HD2 )) 3.00 1.20 0.30
assign ((resid 32 and name HG1 )) ( (resid 32 and name HD* )) 2.80 1.00 0.28
assign ((resid 1 and name HG2 )) ( (resid 1 and name HE* )) 4.36 2.56 0.44
assign ((resid 9 and name HG2 )) ( (resid 9 and name HE* )) 4.05 2.25 0.41
assign ((resid 1 and name HG1 )) ( (resid 1 and name HE* )) 4.36 2.56 0.44
assign ((resid 9 and name HG1 )) ( (resid 9 and name HE* )) 4.05 2.25 0.41
assign ((resid 43 and name HD* )) ( (resid 52 and name HG1 )) 5.48 3.68 0.55
assign ((resid 12 and name HB2 )) ( (resid 12 and name HD1* )) 3.90 2.10 0.39
assign ((resid 12 and name HB1 )) ( (resid 12 and name HD1* )) 3.90 2.10 0.39
assign ((resid 5 and name HG12 )) ( (resid 51 and name HG2* )) 4.70 2.90 0.47
assign ((resid 5 and name HG2* )) ( (resid 5 and name HG11 )) 4.10 2.30 0.41
assign ((resid 5 and name HG11 )) ( (resid 51 and name HG2* )) 4.70 2.90 0.47
assign ((resid 90 and name HG2* )) ( (resid 90 and name HG11 )) 4.23 2.43 0.42
assign ((resid 92 and name HG2* )) ( (resid 92 and name HG11 )) 3.41 1.61 0.34
assign ((resid 12 and name HB1 )) ( (resid 12 and name HD2* )) 3.96 2.16 0.40
assign ((resid 83 and name HB1 )) ( (resid 83 and name HD2* )) 3.40 1.60 0.34
assign ((resid 95 and name HB1 )) ( (resid 95 and name HD* )) 3.20 1.40 0.32
assign ((resid 65 and name HB2 )) ( (resid 65 and name HD* )) 3.92 2.12 0.39
assign ((resid 51 and name HG2* )) ( (resid 51 and name HG12 )) 3.89 2.09 0.39
assign ((resid 26 and name HG* )) ( (resid 26 and name HE2 )) 3.72 1.92 0.37
assign ((resid 27 and name HG* )) ( (resid 27 and name HE* )) 3.22 1.42 0.32
assign ((resid 77 and name HG2 )) ( (resid 77 and name HE* )) 3.83 2.03 0.38
assign ((resid 40 and name HG2 )) ( (resid 40 and name HE2 )) 4.20 2.40 0.42
assign ((resid 40 and name HG1 )) ( (resid 40 and name HE2 )) 4.20 2.40 0.42
assign ((resid 45 and name HG1 )) ( (resid 45 and name HE* )) 3.26 1.46 0.33
assign ((resid 66 and name HG1 )) ( (resid 66 and name HE* )) 3.49 1.69 0.35
assign ((resid 26 and name HG* )) ( (resid 26 and name HE1 )) 3.72 1.92 0.37
assign ((resid 36 and name HG2 )) ( (resid 36 and name HE* )) 4.04 2.24 0.40
assign ((resid 40 and name HG2 )) ( (resid 40 and name HE1 )) 4.20 2.40 0.42
assign ((resid 45 and name HG2 )) ( (resid 45 and name HE* )) 3.33 1.53 0.33
assign ((resid 65 and name HG2 )) ( (resid 65 and name HE* )) 3.64 1.84 0.36
assign ((resid 66 and name HG2 )) ( (resid 66 and name HE* )) 3.49 1.69 0.35
assign ((resid 95 and name HG2 )) ( (resid 95 and name HE* )) 4.03 2.23 0.40
assign ((resid 4 and name HG* )) ( (resid 4 and name HE* )) 3.29 1.49 0.33
assign ((resid 36 and name HG1 )) ( (resid 36 and name HE* )) 4.04 2.24 0.40
assign ((resid 65 and name HG1 )) ( (resid 65 and name HE* )) 3.64 1.84 0.36
assign ((resid 77 and name HG1 )) ( (resid 77 and name HE* )) 3.83 2.03 0.38
assign ((resid 45 and name HB2 )) ( (resid 45 and name HE* )) 3.69 1.89 0.37
assign ((resid 97 and name HB2 )) ( (resid 97 and name HD1* )) 3.60 1.80 0.36
assign ((resid 8 and name HB2 )) ( (resid 8 and name HD1* )) 3.94 2.14 0.39
assign ((resid 39 and name HB1 )) ( (resid 39 and name HD1* )) 4.01 2.21 0.40
assign ((resid 42 and name HB2 )) ( (resid 42 and name HD1* )) 3.40 1.60 0.34
assign ((resid 44 and name HB2 )) ( (resid 44 and name HD1* )) 3.47 1.67 0.35
assign ((resid 55 and name HB1 )) ( (resid 55 and name HD1* )) 3.48 1.68 0.35
assign ((resid 59 and name HB2 )) ( (resid 59 and name HD1* )) 3.18 1.38 0.32
assign ((resid 83 and name HB2 )) ( (resid 83 and name HD1* )) 3.22 1.42 0.32
assign ((resid 8 and name HB2 )) ( (resid 8 and name HD2* )) 4.06 2.26 0.41
assign ((resid 12 and name HB2 )) ( (resid 12 and name HD2* )) 3.96 2.16 0.40
assign ((resid 39 and name HB1 )) ( (resid 39 and name HD2* )) 3.42 1.62 0.34
assign ((resid 42 and name HB2 )) ( (resid 42 and name HD2* )) 3.34 1.54 0.33
assign ((resid 44 and name HB2 )) ( (resid 44 and name HD2* )) 3.75 1.95 0.38
assign ((resid 55 and name HB1 )) ( (resid 55 and name HD2* )) 3.71 1.91 0.37
assign ((resid 59 and name HB2 )) ( (resid 59 and name HD2* )) 3.28 1.48 0.33
assign ((resid 10 and name HG1 )) ( (resid 83 and name HD2* )) 3.52 1.72 0.35
assign ((resid 97 and name HB2 )) ( (resid 97 and name HD2* )) 3.60 1.80 0.36
assign ((resid 8 and name HB1 )) ( (resid 8 and name HD1* )) 3.94 2.14 0.39
assign ((resid 39 and name HB2 )) ( (resid 39 and name HD1* )) 3.88 2.08 0.39
assign ((resid 42 and name HB1 )) ( (resid 42 and name HD1* )) 3.58 1.78 0.36
assign ((resid 44 and name HB1 )) ( (resid 44 and name HD1* )) 3.44 1.64 0.34
assign ((resid 55 and name HB2 )) ( (resid 55 and name HD1* )) 3.36 1.56 0.34
assign ((resid 59 and name HB1 )) ( (resid 59 and name HD1* )) 3.52 1.72 0.35
assign ((resid 83 and name HB1 )) ( (resid 83 and name HD1* )) 3.36 1.56 0.34
assign ((resid 97 and name HB1 )) ( (resid 97 and name HD1* )) 3.60 1.80 0.36
assign ((resid 8 and name HB1 )) ( (resid 8 and name HD2* )) 4.06 2.26 0.41
assign ((resid 39 and name HB2 )) ( (resid 39 and name HD2* )) 3.98 2.18 0.40
assign ((resid 42 and name HB1 )) ( (resid 42 and name HD2* )) 3.44 1.64 0.34
assign ((resid 44 and name HB1 )) ( (resid 44 and name HD2* )) 3.18 1.38 0.32
assign ((resid 55 and name HB2 )) ( (resid 55 and name HD2* )) 3.36 1.56 0.34
assign ((resid 59 and name HB1 )) ( (resid 59 and name HD2* )) 3.56 1.76 0.36
assign ((resid 97 and name HB1 )) ( (resid 97 and name HD2* )) 3.60 1.80 0.36
assign ((resid 31 and name HB* )) ( (resid 31 and name HD1 )) 3.85 2.05 0.38
assign ((resid 52 and name HB1 )) ( (resid 52 and name HD* )) 3.90 2.10 0.39
assign ((resid 77 and name HB1 )) ( (resid 77 and name HD* )) 2.97 1.17 0.30
assign ((resid 27 and name HB2 )) ( (resid 27 and name HD* )) 3.35 1.55 0.34
assign ((resid 32 and name HB* )) ( (resid 32 and name HD* )) 3.59 1.79 0.36
assign ((resid 45 and name HB1 )) ( (resid 45 and name HD1 )) 3.62 1.82 0.36
assign ((resid 52 and name HB2 )) ( (resid 52 and name HD* )) 3.90 2.10 0.39
assign ((resid 95 and name HB2 )) ( (resid 95 and name HD* )) 3.20 1.40 0.32
assign ((resid 26 and name HB* )) ( (resid 26 and name HD2 )) 3.71 1.91 0.37
assign ((resid 31 and name HB* )) ( (resid 31 and name HD2 )) 3.85 2.05 0.38
assign ((resid 45 and name HB1 )) ( (resid 45 and name HD2 )) 3.62 1.82 0.36
assign ((resid 26 and name HG* )) ( (resid 26 and name HD1 )) 3.00 1.20 0.30
assign ((resid 32 and name HG2 )) ( (resid 32 and name HD* )) 2.80 1.00 0.28
assign ((resid 85 and name HB )) ( (resid 85 and name HD1* )) 3.38 1.58 0.34
assign ((resid 19 and name HB* )) ( (resid 69 and name HD1* )) 3.42 1.62 0.34
assign ((resid 90 and name HB )) ( (resid 90 and name HD1* )) 3.10 1.30 0.31
assign ((resid 5 and name HG2* )) ( (resid 5 and name HD1* )) 3.02 1.22 0.30
assign ((resid 5 and name HD1* )) ( (resid 51 and name HG2* )) 3.38 1.58 0.34
assign ((resid 16 and name HG2* )) ( (resid 16 and name HD1* )) 2.67 0.87 0.27
assign ((resid 85 and name HG2* )) ( (resid 85 and name HD1* )) 2.67 0.87 0.27
assign ((resid 93 and name HG2* )) ( (resid 93 and name HD1* )) 3.10 1.30 0.31
assign ((resid 5 and name HA )) ( (resid 5 and name HD1* )) 4.48 2.68 0.45
assign ((resid 12 and name HA )) ( (resid 12 and name HD1* )) 4.03 2.23 0.40
assign ((resid 16 and name HA )) ( (resid 16 and name HD1* )) 4.69 2.89 0.47
assign ((resid 83 and name HA )) ( (resid 83 and name HD1* )) 4.45 2.65 0.44
assign ((resid 90 and name HA )) ( (resid 90 and name HD1* )) 4.17 2.37 0.42
assign ((resid 90 and name HG2* )) ( (resid 90 and name HD1* )) 3.15 1.35 0.32
assign ((resid 15 and name HA )) ( (resid 15 and name HG2* )) 3.76 1.96 0.38
assign ((resid 21 and name HA )) ( (resid 21 and name HG2* )) 3.36 1.56 0.34
assign ((resid 35 and name HA )) ( (resid 35 and name HG2* )) 3.23 1.43 0.32
assign ((resid 48 and name HA )) ( (resid 48 and name HG2* )) 3.56 1.76 0.36
assign ((resid 54 and name HA )) ( (resid 54 and name HG2* )) 3.64 1.84 0.36
assign ((resid 64 and name HA )) ( (resid 64 and name HG2* )) 3.44 1.64 0.34
assign ((resid 72 and name HA )) ( (resid 72 and name HG2* )) 3.79 1.99 0.38
assign ((resid 76 and name HA )) ( (resid 76 and name HG2* )) 3.70 1.90 0.37
assign ((resid 21 and name HN )) ( (resid 21 and name HG2* )) 3.42 1.62 0.34
assign ((resid 3 and name HN )) ( (resid 16 and name HG2* )) 4.31 2.51 0.43
assign ((resid 5 and name HG2* )) ( (resid 5 and name HG12 )) 4.10 2.30 0.41
assign ((resid 16 and name HG2* )) ( (resid 16 and name HG12 )) 3.88 2.08 0.39
assign ((resid 69 and name HG2* )) ( (resid 69 and name HG12 )) 3.73 1.93 0.37
assign ((resid 92 and name HG2* )) ( (resid 92 and name HG12 )) 3.41 1.61 0.34
assign ((resid 93 and name HG2* )) ( (resid 93 and name HG12 )) 3.54 1.74 0.35
assign ((resid 16 and name HG2* )) ( (resid 16 and name HG11 )) 3.88 2.08 0.39
assign ((resid 51 and name HG2* )) ( (resid 51 and name HG11 )) 3.89 2.09 0.39
assign ((resid 69 and name HG2* )) ( (resid 69 and name HG11 )) 3.73 1.93 0.37
assign ((resid 93 and name HG2* )) ( (resid 93 and name HG11 )) 3.54 1.74 0.35
assign ((resid 12 and name HN )) ( (resid 12 and name HD1* )) 4.90 3.10 0.49
assign ((resid 39 and name HN )) ( (resid 39 and name HD1* )) 4.53 2.73 0.45
assign ((resid 85 and name HN )) ( (resid 85 and name HD1* )) 4.96 3.16 0.50
assign ((resid 71 and name HN )) ( (resid 93 and name HD1* )) 4.39 2.59 0.44
assign ((resid 93 and name HN )) ( (resid 93 and name HD1* )) 4.78 2.98 0.48
assign ((resid 31 and name HB* )) ( (resid 32 and name HN )) 4.91 3.11 0.49
assign ((resid 44 and name HB1 )) ( (resid 45 and name HN )) 4.84 3.04 0.48
assign ((resid 52 and name HB1 )) ( (resid 53 and name HN )) 4.74 2.94 0.47
assign ((resid 63 and name HB1 )) ( (resid 64 and name HN )) 4.67 2.87 0.47
assign ((resid 77 and name HB1 )) ( (resid 78 and name HN )) 4.34 2.54 0.43
assign ((resid 86 and name HB1 )) ( (resid 87 and name HN )) 4.76 2.96 0.48
assign ((resid 89 and name HB1 )) ( (resid 90 and name HN )) 4.58 2.78 0.46
assign ((resid 12 and name HB2 )) ( (resid 13 and name HN )) 4.37 2.57 0.44
assign ((resid 13 and name HB2 )) ( (resid 14 and name HN )) 4.06 2.26 0.41
assign ((resid 43 and name HB1 )) ( (resid 44 and name HN )) 4.83 3.03 0.48
assign ((resid 44 and name HB2 )) ( (resid 45 and name HN )) 5.50 3.70 0.55
assign ((resid 61 and name HB2 )) ( (resid 62 and name HN )) 5.02 3.22 0.50
assign ((resid 63 and name HB2 )) ( (resid 64 and name HN )) 4.67 2.87 0.47
assign ((resid 73 and name HB2 )) ( (resid 74 and name HN )) 4.26 2.46 0.43
assign ((resid 77 and name HB2 )) ( (resid 78 and name HN )) 4.34 2.54 0.43
assign ((resid 83 and name HB2 )) ( (resid 84 and name HN )) 4.63 2.83 0.46
assign ((resid 86 and name HB2 )) ( (resid 87 and name HN )) 4.76 2.96 0.48
assign ((resid 89 and name HB2 )) ( (resid 90 and name HN )) 4.58 2.78 0.46
assign ((resid 51 and name HB )) ( (resid 52 and name HN )) 4.85 3.05 0.48
assign ((resid 70 and name HB* )) ( (resid 71 and name HN )) 3.51 1.71 0.35
assign ((resid 85 and name HB )) ( (resid 86 and name HN )) 4.64 2.84 0.46
assign ((resid 19 and name HG* )) ( (resid 20 and name HN )) 4.65 2.85 0.47
assign ((resid 45 and name HG2 )) ( (resid 46 and name HN )) 5.07 3.27 0.51
assign ((resid 52 and name HG2 )) ( (resid 53 and name HN )) 4.78 2.98 0.48
assign ((resid 11 and name HN )) ( (resid 77 and name HG2 )) 5.50 3.70 0.55
assign ((resid 77 and name HG2 )) ( (resid 78 and name HN )) 5.50 3.70 0.55
assign ((resid 94 and name HG* )) ( (resid 95 and name HN )) 4.60 2.80 0.46
assign ((resid 52 and name HG1 )) ( (resid 53 and name HN )) 4.78 2.98 0.48
assign ((resid 63 and name HG1 )) ( (resid 64 and name HN )) 4.55 2.75 0.46
assign ((resid 11 and name HN )) ( (resid 77 and name HG1 )) 5.50 3.70 0.55
assign ((resid 77 and name HG1 )) ( (resid 78 and name HN )) 5.50 3.70 0.55
assign ((resid 39 and name HA )) ( (resid 39 and name HD1* )) 4.41 2.61 0.44
assign ((resid 85 and name HA )) ( (resid 85 and name HD1* )) 4.46 2.66 0.45
assign ((resid 92 and name HA )) ( (resid 92 and name HD1* )) 3.86 2.06 0.39
assign ((resid 93 and name HA )) ( (resid 93 and name HD1* )) 3.93 2.13 0.39
assign ((resid 8 and name HA )) ( (resid 8 and name HD2* )) 3.52 1.72 0.35
assign ((resid 12 and name HA )) ( (resid 12 and name HD2* )) 3.95 2.15 0.40
assign ((resid 39 and name HA )) ( (resid 39 and name HD2* )) 4.67 2.87 0.47
assign ((resid 42 and name HA )) ( (resid 42 and name HD2* )) 3.48 1.68 0.35
assign ((resid 44 and name HA )) ( (resid 44 and name HD2* )) 3.62 1.82 0.36
assign ((resid 55 and name HA )) ( (resid 55 and name HD2* )) 3.56 1.76 0.36
assign ((resid 83 and name HA )) ( (resid 83 and name HD2* )) 3.42 1.62 0.34
assign ((resid 97 and name HA )) ( (resid 97 and name HD2* )) 4.10 2.30 0.41
assign ((resid 55 and name HD1* )) ( (resid 90 and name HG2* )) 3.45 1.65 0.34
assign ((resid 55 and name HD2* )) ( (resid 90 and name HG2* )) 3.32 1.52 0.33
assign ((resid 59 and name HG )) ( (resid 90 and name HG2* )) 5.43 3.63 0.54
assign ((resid 59 and name HB1 )) ( (resid 90 and name HG2* )) 4.80 3.00 0.48
assign ((resid 89 and name HA )) ( (resid 90 and name HG2* )) 4.56 2.76 0.46
assign ((resid 62 and name HE* )) ( (resid 90 and name HG2* )) 4.49 2.69 0.45
assign ((resid 62 and name HD* )) ( (resid 90 and name HG2* )) 4.41 2.61 0.44
assign ((resid 19 and name HA )) ( (resid 69 and name HD1* )) 3.68 1.88 0.37
assign ((resid 69 and name HD1* )) ( (resid 70 and name HN )) 4.41 2.61 0.44
assign ((resid 20 and name HN )) ( (resid 69 and name HD1* )) 4.40 2.60 0.44
assign ((resid 19 and name HN )) ( (resid 69 and name HD1* )) 4.75 2.95 0.47
assign ((resid 90 and name HD1* )) ( (resid 92 and name HD1* )) 4.55 2.75 0.46
assign ((resid 68 and name HB2 )) ( (resid 92 and name HD1* )) 4.33 2.53 0.43
assign ((resid 68 and name HB1 )) ( (resid 92 and name HD1* )) 4.33 2.53 0.43
assign ((resid 62 and name HD* )) ( (resid 92 and name HD1* )) 4.89 3.09 0.49
assign ((resid 68 and name HN )) ( (resid 92 and name HD1* )) 5.50 3.70 0.55
assign ((resid 92 and name HD1* )) ( (resid 94 and name HN )) 5.50 3.70 0.55
assign ((resid 69 and name HB )) ( (resid 93 and name HD1* )) 4.90 3.10 0.49
assign ((resid 71 and name HB2 )) ( (resid 93 and name HD1* )) 3.95 2.15 0.40
assign ((resid 71 and name HA )) ( (resid 93 and name HD1* )) 4.63 2.83 0.46
assign ((resid 74 and name HA1 )) ( (resid 85 and name HD1* )) 4.60 2.80 0.46
assign ((resid 14 and name HN )) ( (resid 85 and name HD1* )) 5.50 3.70 0.55
assign ((resid 76 and name HN )) ( (resid 85 and name HD1* )) 5.50 3.70 0.55
assign ((resid 5 and name HD1* )) ( (resid 45 and name HA )) 3.94 2.14 0.39
assign ((resid 55 and name HD1* )) ( (resid 90 and name HD1* )) 3.39 1.59 0.34
assign ((resid 62 and name HD* )) ( (resid 90 and name HD1* )) 4.57 2.77 0.46
assign ((resid 90 and name HD1* )) ( (resid 91 and name HN )) 4.34 2.54 0.43
assign ((resid 16 and name HD1* )) ( (resid 72 and name HN )) 4.64 2.84 0.46
assign ((resid 44 and name HB1 )) ( (resid 51 and name HG2* )) 4.00 2.20 0.40
assign ((resid 44 and name HB2 )) ( (resid 51 and name HG2* )) 3.76 1.96 0.38
assign ((resid 51 and name HG2* )) ( (resid 53 and name HN )) 4.95 3.15 0.49
assign ((resid 69 and name HA )) ( (resid 69 and name HD1* )) 3.75 1.95 0.38
assign ((resid 53 and name HA1 )) ( (resid 85 and name HG2* )) 4.03 2.23 0.40
assign ((resid 74 and name HA1 )) ( (resid 85 and name HG2* )) 5.50 3.70 0.55
assign ((resid 84 and name HA )) ( (resid 85 and name HG2* )) 4.61 2.81 0.46
assign ((resid 53 and name HA2 )) ( (resid 85 and name HG2* )) 3.89 2.09 0.39
assign ((resid 85 and name HG2* )) ( (resid 87 and name HA )) 4.80 3.00 0.48
assign ((resid 54 and name HN )) ( (resid 85 and name HG2* )) 4.51 2.71 0.45
assign ((resid 85 and name HG2* )) ( (resid 87 and name HN )) 5.02 3.22 0.50
assign ((resid 75 and name HN )) ( (resid 85 and name HG2* )) 5.46 3.66 0.55
assign ((resid 51 and name HD1* )) ( (resid 83 and name HB1 )) 4.05 2.25 0.41
assign ((resid 51 and name HD1* )) ( (resid 83 and name HB2 )) 3.71 1.91 0.37
assign ((resid 51 and name HD1* )) ( (resid 84 and name HA )) 4.33 2.53 0.43
assign ((resid 51 and name HD1* )) ( (resid 84 and name HN )) 4.82 3.02 0.48
assign ((resid 69 and name HG2* )) ( (resid 93 and name HB )) 3.66 1.86 0.37
assign ((resid 18 and name HN )) ( (resid 69 and name HG2* )) 4.33 2.53 0.43
assign ((resid 69 and name HB )) ( (resid 93 and name HG2* )) 4.43 2.63 0.44
assign ((resid 93 and name HG2* )) ( (resid 94 and name HN )) 4.04 2.24 0.40
assign ((resid 40 and name HB2 )) ( (resid 60 and name HB* )) 4.15 2.35 0.42
assign ((resid 40 and name HB1 )) ( (resid 60 and name HB* )) 4.15 2.35 0.42
assign ((resid 56 and name HA )) ( (resid 60 and name HB* )) 4.75 2.95 0.47
assign ((resid 26 and name HA )) ( (resid 60 and name HB* )) 5.38 3.58 0.54
assign ((resid 57 and name HA )) ( (resid 60 and name HB* )) 5.50 3.70 0.55
assign ((resid 56 and name HN )) ( (resid 60 and name HB* )) 5.24 3.44 0.52
assign ((resid 5 and name HA )) ( (resid 16 and name HG2* )) 4.61 2.81 0.46
assign ((resid 3 and name HB2 )) ( (resid 16 and name HG2* )) 4.67 2.87 0.47
assign ((resid 5 and name HG2* )) ( (resid 49 and name HA* )) 4.06 2.26 0.41
assign ((resid 5 and name HG2* )) ( (resid 51 and name HN )) 4.99 3.19 0.50
assign ((resid 68 and name HB1 )) ( (resid 92 and name HG2* )) 4.42 2.62 0.44
assign ((resid 92 and name HG2* )) ( (resid 95 and name HA )) 4.36 2.56 0.44
assign ((resid 64 and name HG1* )) ( (resid 90 and name HD1* )) 4.27 2.47 0.43
assign ((resid 40 and name HE1 )) ( (resid 64 and name HG1* )) 4.31 2.51 0.43
assign ((resid 64 and name HA )) ( (resid 64 and name HG1* )) 4.17 2.37 0.42
assign ((resid 62 and name HE* )) ( (resid 64 and name HG1* )) 4.85 3.05 0.48
assign ((resid 20 and name HG2* )) ( (resid 42 and name HB1 )) 4.80 3.00 0.48
assign ((resid 20 and name HG2* )) ( (resid 44 and name HG )) 5.17 3.37 0.52
assign ((resid 20 and name HG2* )) ( (resid 68 and name HN )) 4.37 2.57 0.44
assign ((resid 20 and name HG2* )) ( (resid 21 and name HN )) 4.54 2.74 0.45
assign ((resid 20 and name HG2* )) ( (resid 65 and name HN )) 4.89 3.09 0.49
assign ((resid 72 and name HG2* )) ( (resid 90 and name HG11 )) 3.13 1.33 0.31
assign ((resid 70 and name HB* )) ( (resid 72 and name HG2* )) 3.09 1.29 0.31
assign ((resid 72 and name HG2* )) ( (resid 90 and name HA )) 4.59 2.79 0.46
assign ((resid 71 and name HA )) ( (resid 72 and name HG2* )) 4.54 2.74 0.45
assign ((resid 23 and name HB* )) ( (resid 42 and name HD2* )) 3.27 1.47 0.33
assign ((resid 23 and name HB* )) ( (resid 65 and name HA )) 4.05 2.25 0.41
assign ((resid 23 and name HB* )) ( (resid 42 and name HA )) 5.13 3.33 0.51
assign ((resid 8 and name HD2* )) ( (resid 76 and name HG2* )) 3.20 1.40 0.32
assign ((resid 8 and name HD2* )) ( (resid 12 and name HD2* )) 3.72 1.92 0.37
assign ((resid 8 and name HD2* )) ( (resid 16 and name HD1* )) 4.29 2.49 0.43
assign ((resid 8 and name HD2* )) ( (resid 76 and name HG1* )) 4.22 2.42 0.42
assign ((resid 3 and name HB1 )) ( (resid 8 and name HD2* )) 4.21 2.41 0.42
assign ((resid 5 and name HA )) ( (resid 8 and name HD2* )) 4.63 2.83 0.46
assign ((resid 3 and name HB2 )) ( (resid 8 and name HD2* )) 4.21 2.41 0.42
assign ((resid 3 and name HN )) ( (resid 8 and name HD2* )) 5.50 3.70 0.55
assign ((resid 4 and name HN )) ( (resid 8 and name HD2* )) 5.50 3.70 0.55
assign ((resid 21 and name HG2* )) ( (resid 45 and name HD2 )) 4.10 2.30 0.41
assign ((resid 21 and name HG2* )) ( (resid 45 and name HG2 )) 3.51 1.71 0.35
assign ((resid 18 and name HB* )) ( (resid 21 and name HG2* )) 5.16 3.36 0.52
assign ((resid 21 and name HG2* )) ( (resid 22 and name HB* )) 5.50 3.70 0.55
assign ((resid 21 and name HG2* )) ( (resid 45 and name HB1 )) 3.60 1.80 0.36
assign ((resid 21 and name HG2* )) ( (resid 45 and name HE* )) 4.02 2.22 0.40
assign ((resid 21 and name HG2* )) ( (resid 44 and name HA )) 4.29 2.49 0.43
assign ((resid 21 and name HG2* )) ( (resid 43 and name HA )) 5.14 3.34 0.51
assign ((resid 21 and name HG2* )) ( (resid 45 and name HA )) 5.42 3.62 0.54
assign ((resid 21 and name HN )) ( (resid 21 and name HG1* )) 4.33 2.53 0.43
assign ((resid 21 and name HG1* )) ( (resid 45 and name HB1 )) 4.61 2.81 0.46
assign ((resid 21 and name HG1* )) ( (resid 45 and name HG2 )) 3.99 2.19 0.40
assign ((resid 21 and name HG1* )) ( (resid 22 and name HB* )) 3.52 1.72 0.35
assign ((resid 21 and name HG1* )) ( (resid 66 and name HE* )) 5.37 3.57 0.54
assign ((resid 21 and name HG1* )) ( (resid 45 and name HE* )) 4.71 2.91 0.47
assign ((resid 21 and name HA )) ( (resid 21 and name HG1* )) 3.53 1.73 0.35
assign ((resid 20 and name HG1* )) ( (resid 23 and name HB* )) 3.32 1.52 0.33
assign ((resid 20 and name HG1* )) ( (resid 42 and name HB1 )) 4.64 2.84 0.46
assign ((resid 20 and name HG1* )) ( (resid 66 and name HA )) 3.65 1.85 0.37
assign ((resid 20 and name HA )) ( (resid 20 and name HG1* )) 3.70 1.90 0.37
assign ((resid 85 and name HA )) ( (resid 87 and name HG2* )) 5.50 3.70 0.55
assign ((resid 53 and name HA2 )) ( (resid 87 and name HG2* )) 4.85 3.05 0.48
assign ((resid 70 and name HB* )) ( (resid 90 and name HG11 )) 3.71 1.91 0.37
assign ((resid 70 and name HB* )) ( (resid 90 and name HD1* )) 4.02 2.22 0.40
assign ((resid 15 and name HG2* )) ( (resid 71 and name HG2 )) 3.73 1.93 0.37
assign ((resid 15 and name HG2* )) ( (resid 71 and name HG1 )) 3.73 1.93 0.37
assign ((resid 70 and name HB* )) ( (resid 90 and name HG12 )) 3.63 1.83 0.36
assign ((resid 15 and name HG2* )) ( (resid 71 and name HA )) 5.36 3.56 0.54
assign ((resid 20 and name HG2* )) ( (resid 64 and name HG2* )) 2.82 1.02 0.28
assign ((resid 64 and name HG2* )) ( (resid 92 and name HG12 )) 5.50 3.70 0.55
assign ((resid 64 and name HG2* )) ( (resid 92 and name HG11 )) 5.50 3.70 0.55
assign ((resid 64 and name HG2* )) ( (resid 68 and name HB2 )) 4.35 2.55 0.44
assign ((resid 62 and name HE* )) ( (resid 64 and name HG2* )) 4.61 2.81 0.46
assign ((resid 62 and name HD* )) ( (resid 64 and name HG2* )) 4.68 2.88 0.47
assign ((resid 64 and name HG2* )) ( (resid 68 and name HN )) 4.68 2.88 0.47
assign ((resid 4 and name HB1 )) ( (resid 48 and name HG2* )) 4.02 2.22 0.40
assign ((resid 4 and name HG* )) ( (resid 48 and name HG2* )) 4.14 2.34 0.41
assign ((resid 4 and name HB2 )) ( (resid 48 and name HG2* )) 4.02 2.22 0.40
assign ((resid 4 and name HE* )) ( (resid 48 and name HG2* )) 4.20 2.40 0.42
assign ((resid 6 and name HB2 )) ( (resid 48 and name HG2* )) 5.14 3.34 0.51
assign ((resid 48 and name HG2* )) ( (resid 49 and name HA* )) 5.50 3.70 0.55
assign ((resid 6 and name HB1 )) ( (resid 48 and name HG2* )) 5.14 3.34 0.51
assign ((resid 87 and name HG1* )) ( (resid 90 and name HB )) 3.61 1.81 0.36
assign ((resid 73 and name HN )) ( (resid 87 and name HG1* )) 4.57 2.77 0.46
assign ((resid 22 and name HB* )) ( (resid 43 and name HB1 )) 3.57 1.77 0.36
assign ((resid 22 and name HB* )) ( (resid 24 and name HE* )) 3.86 2.06 0.39
assign ((resid 22 and name HB* )) ( (resid 43 and name HN )) 4.36 2.56 0.44
assign ((resid 4 and name HD2 )) ( (resid 48 and name HG2* )) 4.38 2.58 0.44
assign ((resid 76 and name HG2* )) ( (resid 85 and name HB )) 3.70 1.90 0.37
assign ((resid 39 and name HG )) ( (resid 54 and name HG2* )) 4.12 2.32 0.41
assign ((resid 41 and name HA )) ( (resid 54 and name HG2* )) 4.48 2.68 0.45
assign ((resid 10 and name HD2 )) ( (resid 83 and name HD2* )) 4.35 2.55 0.44
assign ((resid 10 and name HD1 )) ( (resid 83 and name HD2* )) 4.35 2.55 0.44
assign ((resid 78 and name HA )) ( (resid 83 and name HD2* )) 3.59 1.79 0.36
assign ((resid 78 and name HN )) ( (resid 83 and name HD2* )) 4.40 2.60 0.44
assign ((resid 75 and name HA )) ( (resid 76 and name HG2* )) 4.54 2.74 0.45
assign ((resid 76 and name HG2* )) ( (resid 85 and name HA )) 4.49 2.69 0.45
assign ((resid 72 and name HA )) ( (resid 72 and name HG1* )) 3.83 2.03 0.38
assign ((resid 72 and name HN )) ( (resid 72 and name HG1* )) 4.51 2.71 0.45
assign ((resid 76 and name HG1* )) ( (resid 84 and name HN )) 5.47 3.67 0.55
assign ((resid 76 and name HA )) ( (resid 76 and name HG1* )) 3.64 1.84 0.36
assign ((resid 8 and name HB1 )) ( (resid 76 and name HG1* )) 4.19 2.39 0.42
assign ((resid 8 and name HB2 )) ( (resid 76 and name HG1* )) 4.19 2.39 0.42
assign ((resid 59 and name HD2* )) ( (resid 90 and name HG2* )) 3.51 1.71 0.35
assign ((resid 42 and name HD2* )) ( (resid 64 and name HB )) 4.88 3.08 0.49
assign ((resid 58 and name HG* )) ( (resid 59 and name HD2* )) 4.48 2.68 0.45
assign ((resid 23 and name HA )) ( (resid 42 and name HD2* )) 3.43 1.63 0.34
assign ((resid 59 and name HD2* )) ( (resid 90 and name HN )) 4.50 2.70 0.45
assign ((resid 59 and name HD2* )) ( (resid 62 and name HD* )) 4.24 2.44 0.42
assign ((resid 18 and name HB* )) ( (resid 44 and name HD2* )) 3.26 1.46 0.33
assign ((resid 5 and name HD1* )) ( (resid 18 and name HB* )) 3.62 1.82 0.36
assign ((resid 18 and name HB* )) ( (resid 44 and name HD1* )) 4.14 2.34 0.41
assign ((resid 55 and name HN )) ( (resid 55 and name HD2* )) 5.01 3.21 0.50
assign ((resid 55 and name HD2* )) ( (resid 60 and name HN )) 5.05 3.25 0.51
assign ((resid 55 and name HD2* )) ( (resid 89 and name HN )) 5.44 3.64 0.54
assign ((resid 55 and name HD2* )) ( (resid 87 and name HN )) 4.65 2.85 0.47
assign ((resid 43 and name HN )) ( (resid 44 and name HD2* )) 4.77 2.97 0.48
assign ((resid 18 and name HB* )) ( (resid 44 and name HA )) 4.36 2.56 0.44
assign ((resid 17 and name HA )) ( (resid 18 and name HB* )) 4.85 3.05 0.48
assign ((resid 27 and name HB2 )) ( (resid 39 and name HD1* )) 4.25 2.45 0.43
assign ((resid 27 and name HD* )) ( (resid 39 and name HD1* )) 3.97 2.17 0.40
assign ((resid 39 and name HD1* )) ( (resid 54 and name HB )) 4.61 2.81 0.46
assign ((resid 27 and name HE* )) ( (resid 39 and name HD1* )) 4.69 2.89 0.47
assign ((resid 39 and name HD1* )) ( (resid 40 and name HA )) 4.11 2.31 0.41
assign ((resid 39 and name HD1* )) ( (resid 41 and name HN )) 4.23 2.43 0.42
assign ((resid 8 and name HD2* )) ( (resid 12 and name HD1* )) 4.66 2.86 0.47
assign ((resid 8 and name HA )) ( (resid 12 and name HD1* )) 4.30 2.50 0.43
assign ((resid 8 and name HA )) ( (resid 12 and name HD2* )) 4.13 2.33 0.41
assign ((resid 55 and name HD2* )) ( (resid 59 and name HG )) 4.22 2.42 0.42
assign ((resid 59 and name HD1* )) ( (resid 90 and name HG2* )) 3.66 1.86 0.37
assign ((resid 59 and name HD1* )) ( (resid 88 and name HA )) 4.31 2.51 0.43
assign ((resid 59 and name HD1* )) ( (resid 89 and name HA )) 4.07 2.27 0.41
assign ((resid 59 and name HD1* )) ( (resid 89 and name HN )) 4.70 2.90 0.47
assign ((resid 10 and name HD2 )) ( (resid 83 and name HD1* )) 4.75 2.95 0.47
assign ((resid 10 and name HD1 )) ( (resid 83 and name HD1* )) 4.75 2.95 0.47
assign ((resid 9 and name HA )) ( (resid 83 and name HD1* )) 4.20 2.40 0.42
assign ((resid 55 and name HD1* )) ( (resid 87 and name HB )) 4.47 2.67 0.45
assign ((resid 55 and name HD1* )) ( (resid 62 and name HB1 )) 4.62 2.82 0.46
assign ((resid 55 and name HD1* )) ( (resid 62 and name HD* )) 4.67 2.87 0.47
assign ((resid 44 and name HD1* )) ( (resid 53 and name HA1 )) 4.37 2.57 0.44
assign ((resid 44 and name HD1* )) ( (resid 53 and name HN )) 4.38 2.58 0.44
assign ((resid 16 and name HN )) ( (resid 16 and name HG11 )) 4.58 2.78 0.46
assign ((resid 42 and name HD1* )) ( (resid 55 and name HB2 )) 3.81 2.01 0.38
assign ((resid 42 and name HD1* )) ( (resid 64 and name HG2* )) 4.27 2.47 0.43
assign ((resid 27 and name HB1 )) ( (resid 39 and name HD2* )) 4.55 2.75 0.46
assign ((resid 39 and name HD2* )) ( (resid 54 and name HG2* )) 3.93 2.13 0.39
assign ((resid 27 and name HB2 )) ( (resid 39 and name HD2* )) 4.67 2.87 0.47
assign ((resid 62 and name HZ )) ( (resid 92 and name HG12 )) 4.44 2.64 0.44
assign ((resid 70 and name HA )) ( (resid 93 and name HG12 )) 4.83 3.03 0.48
assign ((resid 70 and name HA )) ( (resid 93 and name HG11 )) 4.83 3.03 0.48
assign ((resid 4 and name HA )) ( (resid 4 and name HD2 )) 3.84 2.04 0.38
assign ((resid 10 and name HG2 )) ( (resid 83 and name HD2* )) 4.77 2.97 0.48
assign ((resid 9 and name HA )) ( (resid 10 and name HG1 )) 4.79 2.99 0.48
assign ((resid 9 and name HA )) ( (resid 10 and name HG2 )) 4.68 2.88 0.47
assign ((resid 72 and name HN )) ( (resid 90 and name HG11 )) 5.29 3.49 0.53
assign ((resid 72 and name HG2* )) ( (resid 90 and name HG12 )) 4.04 2.24 0.40
assign ((resid 65 and name HA )) ( (resid 65 and name HD* )) 4.67 2.87 0.47
assign ((resid 15 and name HG2* )) ( (resid 71 and name HB2 )) 5.19 3.39 0.52
assign ((resid 15 and name HG2* )) ( (resid 71 and name HB1 )) 4.92 3.12 0.49
assign ((resid 71 and name HB1 )) ( (resid 93 and name HD1* )) 4.44 2.64 0.44
assign ((resid 9 and name HG1 )) ( (resid 12 and name HD2* )) 4.72 2.92 0.47
assign ((resid 9 and name HG2 )) ( (resid 12 and name HD2* )) 4.72 2.92 0.47
assign ((resid 10 and name HB2 )) ( (resid 77 and name HA )) 4.55 2.75 0.46
assign ((resid 10 and name HB1 )) ( (resid 77 and name HA )) 4.55 2.75 0.46
assign ((resid 38 and name HB1 )) ( (resid 60 and name HB* )) 4.45 2.65 0.44
assign ((resid 38 and name HB2 )) ( (resid 60 and name HB* )) 4.45 2.65 0.44
assign ((resid 21 and name HB )) ( (resid 43 and name HB1 )) 3.90 2.10 0.39
assign ((resid 55 and name HA )) ( (resid 87 and name HB )) 4.57 2.77 0.46
assign ((resid 26 and name HB* )) ( (resid 26 and name HE2 )) 4.37 2.57 0.44
assign ((resid 78 and name HG2 )) ( (resid 83 and name HD2* )) 4.64 2.84 0.46
assign ((resid 78 and name HG1 )) ( (resid 83 and name HD2* )) 4.64 2.84 0.46
assign ((resid 62 and name HE* )) ( (resid 64 and name HB )) 4.18 2.38 0.42
assign ((resid 9 and name HB1 )) ( (resid 12 and name HD2* )) 5.27 3.47 0.53
assign ((resid 9 and name HB1 )) ( (resid 10 and name HD2 )) 4.48 2.68 0.45
assign ((resid 9 and name HB1 )) ( (resid 10 and name HD1 )) 4.48 2.68 0.45
assign ((resid 9 and name HB2 )) ( (resid 10 and name HD2 )) 4.48 2.68 0.45
assign ((resid 9 and name HB2 )) ( (resid 10 and name HD1 )) 4.48 2.68 0.45
assign ((resid 16 and name HG12 )) ( (resid 72 and name HB )) 4.00 2.20 0.40
assign ((resid 16 and name HG11 )) ( (resid 72 and name HB )) 4.00 2.20 0.40
assign ((resid 16 and name HD1* )) ( (resid 72 and name HB )) 3.94 2.14 0.39
assign ((resid 27 and name HB1 )) ( (resid 39 and name HD1* )) 5.31 3.51 0.53
assign ((resid 19 and name HG* )) ( (resid 69 and name HD1* )) 4.15 2.35 0.42
assign ((resid 69 and name HG2* )) ( (resid 94 and name HG* )) 5.04 3.24 0.50
assign ((resid 58 and name HG* )) ( (resid 59 and name HG )) 4.56 2.76 0.46
assign ((resid 21 and name HG2* )) ( (resid 45 and name HB2 )) 4.12 2.32 0.41
assign ((resid 69 and name HB )) ( (resid 93 and name HB )) 4.03 2.23 0.40
assign ((resid 92 and name HA )) ( (resid 93 and name HB )) 4.84 3.04 0.48
assign ((resid 47 and name HB* )) ( (resid 48 and name HG2* )) 4.76 2.96 0.48
assign ((resid 55 and name HD1* )) ( (resid 62 and name HB2 )) 4.62 2.82 0.46
assign ((resid 59 and name HA )) ( (resid 62 and name HB1 )) 4.85 3.05 0.48
assign ((resid 55 and name HD2* )) ( (resid 90 and name HB )) 3.84 2.04 0.38
assign ((resid 72 and name HG2* )) ( (resid 90 and name HB )) 4.33 2.53 0.43
assign ((resid 64 and name HG2* )) ( (resid 68 and name HB1 )) 4.35 2.55 0.44
assign ((resid 20 and name HG2* )) ( (resid 68 and name HB1 )) 4.55 2.75 0.46
assign ((resid 68 and name HB2 )) ( (resid 92 and name HG2* )) 4.42 2.62 0.44
assign ((resid 20 and name HG2* )) ( (resid 68 and name HB2 )) 4.55 2.75 0.46
assign ((resid 21 and name HB )) ( (resid 43 and name HB2 )) 4.45 2.65 0.44
assign ((resid 21 and name HG2* )) ( (resid 43 and name HB2 )) 4.64 2.84 0.46
assign ((resid 92 and name HG2* )) ( (resid 95 and name HE* )) 4.25 2.45 0.43
assign ((resid 27 and name HE* )) ( (resid 39 and name HD2* )) 4.32 2.52 0.43
assign ((resid 55 and name HB2 )) ( (resid 59 and name HB1 )) 5.36 3.56 0.54
assign ((resid 55 and name HB2 )) ( (resid 59 and name HB2 )) 5.50 3.70 0.55
assign ((resid 53 and name HA2 )) ( (resid 85 and name HB )) 5.40 3.60 0.54
assign ((resid 76 and name HA )) ( (resid 85 and name HB )) 4.80 3.00 0.48
assign ((resid 26 and name HB* )) ( (resid 26 and name HE1 )) 4.37 2.57 0.44
assign ((resid 74 and name HA2 )) ( (resid 88 and name HB* )) 4.68 2.88 0.47
assign ((resid 53 and name HA1 )) ( (resid 87 and name HG2* )) 4.39 2.59 0.44
assign ((resid 39 and name HB2 )) ( (resid 54 and name HG2* )) 4.48 2.68 0.45
assign ((resid 39 and name HB1 )) ( (resid 54 and name HG2* )) 5.29 3.49 0.53
assign ((resid 70 and name HA )) ( (resid 92 and name HA )) 3.85 2.05 0.38
assign ((resid 70 and name HA )) ( (resid 92 and name HG2* )) 4.48 2.68 0.45
assign ((resid 70 and name HA )) ( (resid 92 and name HD1* )) 5.04 3.24 0.50
assign ((resid 69 and name HG2* )) ( (resid 70 and name HA )) 4.40 2.60 0.44
assign ((resid 24 and name HB2 )) ( (resid 25 and name HD2 )) 4.94 3.14 0.49
assign ((resid 24 and name HB2 )) ( (resid 25 and name HD1 )) 4.94 3.14 0.49
assign ((resid 24 and name HB1 )) ( (resid 25 and name HD2 )) 4.94 3.14 0.49
assign ((resid 24 and name HB1 )) ( (resid 25 and name HD1 )) 4.94 3.14 0.49
assign ((resid 17 and name HA )) ( (resid 71 and name HA )) 3.92 2.12 0.39
assign ((resid 17 and name HA )) ( (resid 69 and name HG2* )) 5.26 3.46 0.53
assign ((resid 17 and name HA )) ( (resid 72 and name HG2* )) 5.50 3.70 0.55
assign ((resid 2 and name HA )) ( (resid 15 and name HB )) 4.04 2.24 0.40
assign ((resid 23 and name HA )) ( (resid 42 and name HA )) 3.80 2.00 0.38
assign ((resid 20 and name HA )) ( (resid 44 and name HA )) 4.12 2.32 0.41
assign ((resid 55 and name HB1 )) ( (resid 60 and name HA )) 3.87 2.07 0.39
assign ((resid 55 and name HB2 )) ( (resid 60 and name HA )) 4.19 2.39 0.42
assign ((resid 55 and name HD1* )) ( (resid 60 and name HA )) 4.09 2.29 0.41
assign ((resid 15 and name HA )) ( (resid 73 and name HA )) 3.73 1.93 0.37
assign ((resid 15 and name HG2* )) ( (resid 73 and name HA )) 4.54 2.74 0.45
assign ((resid 45 and name HA )) ( (resid 50 and name HA )) 3.61 1.81 0.36
assign ((resid 45 and name HB1 )) ( (resid 50 and name HA )) 4.55 2.75 0.46
assign ((resid 45 and name HB2 )) ( (resid 50 and name HA )) 4.62 2.82 0.46
assign ((resid 5 and name HD1* )) ( (resid 50 and name HA )) 3.95 2.15 0.40
assign ((resid 5 and name HG2* )) ( (resid 50 and name HA )) 4.41 2.61 0.44
assign ((resid 50 and name HA )) ( (resid 51 and name HG2* )) 4.99 3.19 0.50
assign ((resid 29 and name HN )) ( (resid 38 and name HA )) 4.26 2.46 0.43
assign ((resid 28 and name HA )) ( (resid 38 and name HA )) 3.93 2.13 0.39
assign ((resid 38 and name HA )) ( (resid 39 and name HB1 )) 4.82 3.02 0.48
assign ((resid 13 and name HA )) ( (resid 75 and name HA )) 3.78 1.98 0.38
assign ((resid 15 and name HA )) ( (resid 16 and name HG2* )) 4.62 2.82 0.46
assign ((resid 43 and name HA )) ( (resid 52 and name HA )) 4.37 2.57 0.44
assign ((resid 43 and name HA )) ( (resid 44 and name HB2 )) 4.65 2.85 0.47
assign ((resid 39 and name HA )) ( (resid 56 and name HA )) 4.27 2.47 0.43
assign ((resid 39 and name HA )) ( (resid 60 and name HB* )) 3.90 2.10 0.39
assign ((resid 72 and name HG1* )) ( (resid 90 and name HA )) 4.73 2.93 0.47
assign ((resid 41 and name HA )) ( (resid 54 and name HA )) 3.99 2.19 0.40
assign ((resid 54 and name HB )) ( (resid 87 and name HG2* )) 4.92 3.12 0.49
assign ((resid 54 and name HB )) ( (resid 86 and name HA )) 4.43 2.63 0.44
assign ((resid 6 and name HB2 )) ( (resid 48 and name HB )) 4.25 2.45 0.43
assign ((resid 45 and name HB1 )) ( (resid 50 and name HB* )) 4.30 2.50 0.43
assign ((resid 45 and name HB2 )) ( (resid 50 and name HB* )) 4.27 2.47 0.43
assign ((resid 45 and name HG2 )) ( (resid 50 and name HB* )) 5.50 3.70 0.55
assign ((resid 45 and name HG1 )) ( (resid 50 and name HB* )) 5.50 3.70 0.55
assign ((resid 5 and name HD1* )) ( (resid 50 and name HB* )) 4.64 2.84 0.46
assign ((resid 5 and name HG2* )) ( (resid 50 and name HB* )) 5.02 3.22 0.50
assign ((resid 50 and name HB* )) ( (resid 51 and name HG2* )) 5.50 3.70 0.55
assign ((resid 45 and name HA )) ( (resid 50 and name HB* )) 4.19 2.39 0.42
assign ((resid 43 and name HE* )) ( (resid 50 and name HB* )) 4.46 2.66 0.45
assign ((resid 5 and name HA )) ( (resid 8 and name HG )) 3.94 2.14 0.39
assign ((resid 15 and name HA )) ( (resid 73 and name HB2 )) 4.58 2.78 0.46
assign ((resid 15 and name HA )) ( (resid 73 and name HB1 )) 4.58 2.78 0.46
assign ((resid 24 and name HD* )) ( (resid 41 and name HB1 )) 4.25 2.45 0.43
assign ((resid 10 and name HA )) ( (resid 76 and name HG1* )) 3.66 1.86 0.37
assign ((resid 75 and name HB1 )) ( (resid 86 and name HB2 )) 4.89 3.09 0.49
assign ((resid 75 and name HB1 )) ( (resid 86 and name HB1 )) 4.89 3.09 0.49
assign ((resid 20 and name HA )) ( (resid 44 and name HB2 )) 5.50 3.70 0.55
assign ((resid 6 and name HB1 )) ( (resid 48 and name HB )) 4.25 2.45 0.43
assign ((resid 96 and name HA )) ( (resid 97 and name HG )) 4.29 2.49 0.43
assign ((resid 20 and name HB )) ( (resid 66 and name HA )) 4.44 2.64 0.44
assign ((resid 20 and name HG2* )) ( (resid 66 and name HA )) 4.71 2.91 0.47
assign ((resid 23 and name HB* )) ( (resid 66 and name HA )) 4.93 3.13 0.49
assign ((resid 63 and name HA )) ( (resid 64 and name HG1* )) 4.38 2.58 0.44
assign ((resid 59 and name HA )) ( (resid 62 and name HD* )) 4.96 3.16 0.50
assign ((resid 92 and name HG2* )) ( (resid 94 and name HA )) 4.21 2.41 0.42
assign ((resid 10 and name HA )) ( (resid 11 and name HA )) 4.48 2.68 0.45
assign ((resid 40 and name HN )) ( (resid 60 and name HA )) 5.20 3.40 0.52
assign ((resid 59 and name HD1* )) ( (resid 62 and name HD* )) 5.50 3.70 0.55
assign ((resid 56 and name HN )) ( (resid 59 and name HD1* )) 4.97 3.17 0.50
assign ((resid 17 and name HA )) ( (resid 93 and name HD1* )) 5.17 3.37 0.52
assign ((resid 70 and name HA )) ( (resid 93 and name HD1* )) 4.87 3.07 0.49
assign ((resid 64 and name HG2* )) ( (resid 92 and name HD1* )) 3.15 1.35 0.32
assign ((resid 93 and name HG2* )) ( (resid 94 and name HG* )) 4.25 2.45 0.43
assign ((resid 3 and name HB1 )) ( (resid 16 and name HG2* )) 4.67 2.87 0.47
assign ((resid 70 and name HB* )) ( (resid 90 and name HG2* )) 4.79 2.99 0.48
assign ((resid 64 and name HG2* )) ( (resid 90 and name HG2* )) 5.44 3.64 0.54
assign ((resid 18 and name HB* )) ( (resid 46 and name HA )) 4.76 2.96 0.48
assign ((resid 26 and name HG* )) ( (resid 27 and name HA )) 4.82 3.02 0.48
assign ((resid 27 and name HG* )) ( (resid 39 and name HD1* )) 4.74 2.94 0.47
assign ((resid 95 and name HA )) ( (resid 95 and name HD* )) 4.32 2.52 0.43
assign ((resid 77 and name HA )) ( (resid 77 and name HD* )) 4.68 2.88 0.47
assign ((resid 27 and name HD* )) ( (resid 39 and name HD2* )) 4.44 2.64 0.44
assign ((resid 21 and name HG2* )) ( (resid 45 and name HD1 )) 4.10 2.30 0.41
assign ((resid 40 and name HD1 )) ( (resid 42 and name HD2* )) 4.84 3.04 0.48
assign ((resid 40 and name HD2 )) ( (resid 42 and name HD2* )) 4.84 3.04 0.48
assign ((resid 92 and name HG2* )) ( (resid 95 and name HB2 )) 5.06 3.26 0.51
assign ((resid 92 and name HG2* )) ( (resid 95 and name HB1 )) 5.06 3.26 0.51
assign ((resid 64 and name HB )) ( (resid 90 and name HD1* )) 4.80 3.00 0.48
assign ((resid 9 and name HB2 )) ( (resid 12 and name HD2* )) 5.27 3.47 0.53
assign ((resid 27 and name HB1 )) ( (resid 28 and name HG2 )) 5.50 3.70 0.55
assign ((resid 27 and name HB1 )) ( (resid 28 and name HG1 )) 5.50 3.70 0.55
assign ((resid 40 and name HE2 )) ( (resid 64 and name HG1* )) 4.31 2.51 0.43
assign ((resid 4 and name HA )) ( (resid 4 and name HE* )) 4.47 2.67 0.45
assign ((resid 40 and name HG1 )) ( (resid 40 and name HE1 )) 4.20 2.40 0.42
assign ((resid 39 and name HA )) ( (resid 54 and name HG2* )) 4.83 3.03 0.48
assign ((resid 39 and name HD1* )) ( (resid 41 and name HA )) 4.87 3.07 0.49
assign ((resid 64 and name HA )) ( (resid 90 and name HD1* )) 5.17 3.37 0.52
assign ((resid 87 and name HG1* )) ( (resid 90 and name HG2* )) 4.12 2.32 0.41
assign ((resid 87 and name HG1* )) ( (resid 88 and name HB* )) 4.71 2.91 0.47
assign ((resid 39 and name HD1* )) ( (resid 56 and name HZ2 )) 5.01 3.21 0.50
assign ((resid 39 and name HD1* )) ( (resid 56 and name HH2 )) 4.87 3.07 0.49
assign ((resid 39 and name HD1* )) ( (resid 54 and name HG2* )) 3.46 1.66 0.35
assign ((resid 35 and name HA )) ( (resid 36 and name HB* )) 4.55 2.75 0.46
assign ((resid 20 and name HA )) ( (resid 44 and name HD2* )) 3.57 1.77 0.36
assign ((resid 22 and name HB* )) ( (resid 43 and name HB2 )) 3.67 1.87 0.37
assign ((resid 8 and name HD2* )) ( (resid 16 and name HG2* )) 3.49 1.69 0.35
assign ((resid 55 and name HD2* )) ( (resid 87 and name HB )) 3.41 1.61 0.34
assign ((resid 62 and name HE* )) ( (resid 92 and name HG12 )) 4.49 2.69 0.45
assign ((resid 21 and name HG2* )) ( (resid 45 and name HG1 )) 3.82 2.02 0.38
assign ((resid 95 and name HG1 )) ( (resid 95 and name HE* )) 4.03 2.23 0.40
assign ((resid 24 and name HA )) ( (resid 25 and name HG2 )) 4.89 3.09 0.49
assign ((resid 24 and name HA )) ( (resid 25 and name HG1 )) 4.89 3.09 0.49
assign ((resid 9 and name HG2 )) ( (resid 12 and name HD1* )) 4.32 2.52 0.43
assign ((resid 9 and name HG1 )) ( (resid 12 and name HD1* )) 4.32 2.52 0.43
assign ((resid 4 and name HD1 )) ( (resid 48 and name HG2* )) 4.38 2.58 0.44
assign ((resid 32 and name HG2 )) ( (resid 32 and name HE* )) 3.94 2.14 0.39
assign ((resid 32 and name HG1 )) ( (resid 32 and name HE* )) 3.94 2.14 0.39
assign ((resid 45 and name HB1 )) ( (resid 45 and name HE* )) 4.53 2.73 0.45
assign ((resid 74 and name HA1 )) ( (resid 87 and name HA )) 4.25 2.45 0.43
assign ((resid 74 and name HA2 )) ( (resid 87 and name HA )) 4.44 2.64 0.44
assign ((resid 55 and name HD2* )) ( (resid 59 and name HB1 )) 3.49 1.69 0.35
assign ((resid 55 and name HD2* )) ( (resid 59 and name HB2 )) 3.77 1.97 0.38
assign ((resid 62 and name HZ )) ( (resid 70 and name HB* )) 5.50 3.70 0.55
assign ((resid 65 and name HN )) ( (resid 92 and name HD1* )) 4.29 2.49 0.43
assign ((resid 75 and name HE* )) ( (resid 77 and name HD* )) 4.76 2.96 0.48
assign ((resid 11 and name HN )) ( (resid 77 and name HD* )) 5.50 3.70 0.55
assign ((resid 77 and name HD* )) ( (resid 78 and name HN )) 5.50 3.70 0.55
assign ((resid 5 and name HG2* )) ( (resid 6 and name HA )) 4.73 2.93 0.47
assign ((resid 21 and name HG1* )) ( (resid 43 and name HB1 )) 4.30 2.50 0.43
assign ((resid 21 and name HG2* )) ( (resid 43 and name HB1 )) 3.91 2.11 0.39
assign ((resid 21 and name HG1* )) ( (resid 43 and name HB2 )) 4.70 2.90 0.47
assign ((resid 59 and name HA )) ( (resid 62 and name HB2 )) 4.85 3.05 0.48
assign ((resid 54 and name HG2* )) ( (resid 56 and name HD1 )) 4.23 2.43 0.42
assign ((resid 55 and name HA )) ( (resid 56 and name HD1 )) 4.40 2.60 0.44
assign ((resid 54 and name HG2* )) ( (resid 56 and name HZ2 )) 3.91 2.11 0.39
assign ((resid 39 and name HD2* )) ( (resid 56 and name HH2 )) 3.92 2.12 0.39
assign ((resid 29 and name HE* )) ( (resid 56 and name HZ3 )) 4.16 2.36 0.42
assign ((resid 39 and name HD2* )) ( (resid 56 and name HZ3 )) 3.78 1.98 0.38
assign ((resid 39 and name HB1 )) ( (resid 56 and name HZ3 )) 4.53 2.73 0.45
assign ((resid 56 and name HE3 )) ( (resid 57 and name HN )) 4.00 2.20 0.40
assign ((resid 56 and name HA )) ( (resid 56 and name HE3 )) 3.99 2.19 0.40
assign ((resid 29 and name HD* )) ( (resid 56 and name HE3 )) 4.66 2.86 0.47
assign ((resid 29 and name HE* )) ( (resid 56 and name HE3 )) 4.16 2.36 0.42
assign ((resid 39 and name HB1 )) ( (resid 56 and name HE3 )) 4.61 2.81 0.46
assign ((resid 39 and name HD2* )) ( (resid 56 and name HE3 )) 4.80 3.00 0.48
assign ((resid 3 and name HD* )) ( (resid 4 and name HN )) 3.59 1.79 0.36
assign ((resid 3 and name HD* )) ( (resid 7 and name HG* )) 5.21 3.41 0.52
assign ((resid 3 and name HD* )) ( (resid 8 and name HD2* )) 3.69 1.89 0.37
assign ((resid 3 and name HE* )) ( (resid 14 and name HA1 )) 3.85 2.05 0.38
assign ((resid 3 and name HD* )) ( (resid 14 and name HA1 )) 4.13 2.33 0.41
assign ((resid 3 and name HE* )) ( (resid 14 and name HA2 )) 3.85 2.05 0.38
assign ((resid 3 and name HA )) ( (resid 3 and name HE* )) 4.76 2.96 0.48
assign ((resid 3 and name HD* )) ( (resid 14 and name HA2 )) 4.13 2.33 0.41
assign ((resid 1 and name HG2 )) ( (resid 3 and name HE* )) 5.09 3.29 0.51
assign ((resid 1 and name HG1 )) ( (resid 3 and name HE* )) 5.09 3.29 0.51
assign ((resid 3 and name HE* )) ( (resid 12 and name HD1* )) 3.78 1.98 0.38
assign ((resid 3 and name HE* )) ( (resid 12 and name HD2* )) 4.15 2.35 0.42
assign ((resid 3 and name HE* )) ( (resid 8 and name HD2* )) 5.17 3.37 0.52
assign ((resid 3 and name HD* )) ( (resid 15 and name HN )) 4.00 2.20 0.40
assign ((resid 3 and name HE* )) ( (resid 15 and name HN )) 4.44 2.64 0.44
assign ((resid 24 and name HD* )) ( (resid 41 and name HB2 )) 4.25 2.45 0.43
assign ((resid 22 and name HB* )) ( (resid 24 and name HD* )) 4.27 2.47 0.43
assign ((resid 24 and name HA )) ( (resid 24 and name HE* )) 4.57 2.77 0.46
assign ((resid 24 and name HE* )) ( (resid 43 and name HB2 )) 4.24 2.44 0.42
assign ((resid 80 and name HD* )) ( (resid 81 and name HA )) 4.29 2.49 0.43
assign ((resid 80 and name HD* )) ( (resid 81 and name HB* )) 4.09 2.29 0.41
assign ((resid 75 and name HD* )) ( (resid 76 and name HN )) 4.00 2.20 0.40
assign ((resid 13 and name HA )) ( (resid 75 and name HD* )) 4.57 2.77 0.46
assign ((resid 29 and name HD* )) ( (resid 30 and name HN )) 3.74 1.94 0.37
assign ((resid 29 and name HD* )) ( (resid 38 and name HA )) 4.21 2.41 0.42
assign ((resid 29 and name HD* )) ( (resid 39 and name HD2* )) 3.58 1.78 0.36
assign ((resid 29 and name HE* )) ( (resid 39 and name HD2* )) 4.28 2.48 0.43
assign ((resid 62 and name HD* )) ( (resid 64 and name HB )) 3.88 2.08 0.39
assign ((resid 62 and name HD* )) ( (resid 64 and name HG1* )) 3.56 1.76 0.36
assign ((resid 62 and name HE* )) ( (resid 92 and name HD1* )) 3.77 1.97 0.38
assign ((resid 62 and name HE* )) ( (resid 90 and name HD1* )) 4.16 2.36 0.42
assign ((resid 62 and name HE* )) ( (resid 92 and name HG11 )) 4.49 2.69 0.45
assign ((resid 43 and name HN )) ( (resid 43 and name HD* )) 4.38 2.58 0.44
assign ((resid 43 and name HD* )) ( (resid 52 and name HA )) 4.63 2.83 0.46
assign ((resid 21 and name HB )) ( (resid 43 and name HD* )) 4.10 2.30 0.41
assign ((resid 43 and name HD* )) ( (resid 45 and name HB1 )) 5.50 3.70 0.55
assign ((resid 43 and name HD* )) ( (resid 52 and name HG2 )) 5.48 3.68 0.55
assign ((resid 22 and name HB* )) ( (resid 43 and name HD* )) 4.48 2.68 0.45
assign ((resid 21 and name HG1* )) ( (resid 43 and name HD* )) 3.82 2.02 0.38
assign ((resid 21 and name HG2* )) ( (resid 43 and name HE* )) 4.49 2.69 0.45
assign ((resid 21 and name HG1* )) ( (resid 43 and name HE* )) 4.42 2.62 0.44
assign ((resid 21 and name HG2* )) ( (resid 43 and name HD* )) 3.94 2.14 0.39
assign ((resid 62 and name HZ )) ( (resid 91 and name HA2 )) 4.69 2.89 0.47
assign ((resid 62 and name HZ )) ( (resid 91 and name HA1 )) 4.69 2.89 0.47
assign ((resid 43 and name HZ )) ( (resid 50 and name HB* )) 4.02 2.22 0.40
assign ((resid 62 and name HZ )) ( (resid 92 and name HG11 )) 4.44 2.64 0.44
assign ((resid 62 and name HZ )) ( (resid 92 and name HD1* )) 3.89 2.09 0.39
assign ((resid 62 and name HZ )) ( (resid 90 and name HD1* )) 4.68 2.88 0.47
assign ((resid 29 and name HA )) ( (resid 29 and name HD* )) 3.79 1.99 0.38
assign ((resid 43 and name HA )) ( (resid 43 and name HD* )) 3.84 2.04 0.38
assign ((resid 56 and name HA )) ( (resid 56 and name HD1 )) 4.39 2.59 0.44
assign ((resid 75 and name HA )) ( (resid 75 and name HD* )) 3.69 1.89 0.37
assign ((resid 24 and name HN )) ( (resid 24 and name HD* )) 3.89 2.09 0.39
assign ((resid 56 and name HN )) ( (resid 56 and name HD1 )) 3.76 1.96 0.38
assign ((resid 62 and name HN )) ( (resid 62 and name HD* )) 4.52 2.72 0.45
assign ((resid 3 and name HA )) ( (resid 3 and name HD* )) 3.63 1.83 0.36
assign ((resid 80 and name HA )) ( (resid 80 and name HD* )) 3.40 1.60 0.34
assign ((resid 56 and name HB2 )) ( (resid 56 and name HE3 )) 4.17 2.37 0.42
assign ((resid 56 and name HB1 )) ( (resid 56 and name HE3 )) 4.17 2.37 0.42
assign ((resid 62 and name HD* )) ( (resid 62 and name HZ )) 3.98 2.18 0.40
assign ((resid 29 and name HD* )) ( (resid 29 and name HZ )) 4.10 2.30 0.41
assign ((resid 43 and name HD* )) ( (resid 43 and name HZ )) 3.95 2.15 0.40
assign ((resid 43 and name HE* )) ( (resid 43 and name HZ )) 2.40 0.60 0.24
assign ((resid 11 and name HN )) ( (resid 75 and name HE* )) 4.34 2.54 0.43
assign ((resid 75 and name HE* )) ( (resid 76 and name HA )) 5.35 3.55 0.54
assign ((resid 11 and name HA )) ( (resid 75 and name HE* )) 3.69 1.89 0.37
assign ((resid 75 and name HE* )) ( (resid 77 and name HE* )) 4.56 2.76 0.46
assign ((resid 3 and name HE* )) ( (resid 12 and name HG )) 4.64 2.84 0.46
assign ((resid 11 and name HA )) ( (resid 75 and name HD* )) 5.19 3.39 0.52
assign ((resid 75 and name HD* )) ( (resid 76 and name HA )) 4.24 2.44 0.42
assign ((resid 75 and name HD* )) ( (resid 77 and name HD* )) 4.60 2.80 0.46
assign ((resid 75 and name HD* )) ( (resid 77 and name HG2 )) 4.31 2.51 0.43
assign ((resid 75 and name HD* )) ( (resid 77 and name HG1 )) 4.31 2.51 0.43
assign ((resid 75 and name HD* )) ( (resid 76 and name HG2* )) 4.79 2.99 0.48
assign ((resid 3 and name HD* )) ( (resid 16 and name HG2* )) 4.06 2.26 0.41
assign ((resid 24 and name HA )) ( (resid 24 and name HD* )) 3.75 1.95 0.38
assign ((resid 28 and name HA )) ( (resid 29 and name HD* )) 4.07 2.27 0.41
assign ((resid 29 and name HE* )) ( (resid 31 and name HG2 )) 4.43 2.63 0.44
assign ((resid 29 and name HE* )) ( (resid 31 and name HG1 )) 4.43 2.63 0.44
assign ((resid 29 and name HE* )) ( (resid 39 and name HB1 )) 4.37 2.57 0.44
assign ((resid 24 and name HD* )) ( (resid 25 and name HD2 )) 4.34 2.54 0.43
assign ((resid 24 and name HD* )) ( (resid 25 and name HD1 )) 4.34 2.54 0.43
assign ((resid 24 and name HD* )) ( (resid 42 and name HA )) 4.50 2.70 0.45
assign ((resid 3 and name HD* )) ( (resid 8 and name HG )) 5.21 3.41 0.52
assign ((resid 29 and name HD* )) ( (resid 39 and name HN )) 4.47 2.67 0.45
assign ((resid 29 and name HZ )) ( (resid 56 and name HZ3 )) 4.23 2.43 0.42
assign ((resid 1 and name HB* )) ( (resid 3 and name HE* )) 4.00 2.20 0.40
assign ((resid 1 and name HG* )) ( (resid 1 and name HE* )) 3.52 1.72 0.35
assign ((resid 1 and name HG* )) ( (resid 3 and name HE* )) 4.46 2.66 0.45
assign ((resid 2 and name HB* )) ( (resid 3 and name HN )) 3.72 1.92 0.37
assign ((resid 3 and name HN )) ( (resid 3 and name HB* )) 3.50 1.70 0.35
assign ((resid 3 and name HB* )) ( (resid 4 and name HN )) 3.75 1.95 0.38
assign ((resid 3 and name HB* )) ( (resid 8 and name HD2* )) 3.68 1.88 0.37
assign ((resid 3 and name HB* )) ( (resid 16 and name HG2* )) 3.97 2.17 0.40
assign ((resid 3 and name HD* )) ( (resid 7 and name HB* )) 3.71 1.91 0.37
assign ((resid 3 and name HD* )) ( (resid 14 and name HA* )) 3.51 1.71 0.35
assign ((resid 3 and name HE* )) ( (resid 9 and name HG* )) 5.34 3.54 0.53
assign ((resid 4 and name HN )) ( (resid 4 and name HB* )) 3.55 1.75 0.35
assign ((resid 4 and name HN )) ( (resid 4 and name HD* )) 4.18 2.38 0.42
assign ((resid 4 and name HN )) ( (resid 7 and name HB* )) 3.71 1.91 0.37
assign ((resid 4 and name HB* )) ( (resid 4 and name HD* )) 3.23 1.43 0.32
assign ((resid 4 and name HB* )) ( (resid 5 and name HN )) 4.43 2.63 0.44
assign ((resid 4 and name HB* )) ( (resid 6 and name HN )) 3.66 1.86 0.37
assign ((resid 4 and name HB* )) ( (resid 7 and name HN )) 4.15 2.35 0.42
assign ((resid 4 and name HB* )) ( (resid 7 and name HG* )) 4.73 2.93 0.47
assign ((resid 4 and name HB* )) ( (resid 48 and name HG2* )) 3.53 1.73 0.35
assign ((resid 4 and name HD* )) ( (resid 48 and name HG2* )) 3.72 1.92 0.37
assign ((resid 5 and name HA )) ( (resid 5 and name HG1* )) 3.48 1.68 0.35
assign ((resid 5 and name HG1* )) ( (resid 18 and name HB* )) 3.83 2.03 0.38
assign ((resid 5 and name HG1* )) ( (resid 51 and name HG2* )) 4.05 2.25 0.41
assign ((resid 5 and name HD1* )) ( (resid 46 and name HB* )) 4.55 2.75 0.46
assign ((resid 6 and name HN )) ( (resid 6 and name HB* )) 3.55 1.75 0.35
assign ((resid 6 and name HB* )) ( (resid 48 and name HB )) 3.66 1.86 0.37
assign ((resid 6 and name HB* )) ( (resid 48 and name HG2* )) 4.38 2.58 0.44
assign ((resid 7 and name HB* )) ( (resid 8 and name HN )) 4.19 2.39 0.42
assign ((resid 8 and name HN )) ( (resid 8 and name HB* )) 3.22 1.42 0.32
assign ((resid 8 and name HB* )) ( (resid 8 and name HD1* )) 3.35 1.55 0.34
assign ((resid 8 and name HB* )) ( (resid 76 and name HG1* )) 3.55 1.75 0.35
assign ((resid 8 and name HB* )) ( (resid 76 and name HG2* )) 4.54 2.74 0.45
assign ((resid 9 and name HN )) ( (resid 12 and name HB* )) 4.00 2.20 0.40
assign ((resid 9 and name HA )) ( (resid 10 and name HD* )) 3.40 1.60 0.34
assign ((resid 9 and name HB* )) ( (resid 10 and name HD* )) 3.32 1.52 0.33
assign ((resid 9 and name HB* )) ( (resid 12 and name HD1* )) 3.90 2.10 0.39
assign ((resid 9 and name HB* )) ( (resid 12 and name HD2* )) 4.40 2.60 0.44
assign ((resid 9 and name HB* )) ( (resid 76 and name HG1* )) 5.34 3.54 0.53
assign ((resid 9 and name HG* )) ( (resid 9 and name HE* )) 3.44 1.64 0.34
assign ((resid 9 and name HG* )) ( (resid 12 and name HD1* )) 3.71 1.91 0.37
assign ((resid 10 and name HB* )) ( (resid 76 and name HG1* )) 5.23 3.43 0.52
assign ((resid 10 and name HB* )) ( (resid 77 and name HA )) 3.92 2.12 0.39
assign ((resid 10 and name HB* )) ( (resid 78 and name HN )) 3.94 2.14 0.39
assign ((resid 10 and name HB* )) ( (resid 83 and name HD2* )) 3.63 1.83 0.36
assign ((resid 10 and name HG1 )) ( (resid 78 and name HB* )) 4.11 2.31 0.41
assign ((resid 10 and name HD* )) ( (resid 78 and name HB* )) 4.47 2.67 0.45
assign ((resid 10 and name HD* )) ( (resid 83 and name HD1* )) 4.10 2.30 0.41
assign ((resid 10 and name HD* )) ( (resid 83 and name HD2* )) 3.59 1.79 0.36
assign ((resid 11 and name HN )) ( (resid 77 and name HG* )) 4.74 2.94 0.47
assign ((resid 11 and name HB* )) ( (resid 11 and name HD2* )) 2.91 1.11 0.29
assign ((resid 12 and name HN )) ( (resid 12 and name HB* )) 3.04 1.24 0.30
assign ((resid 12 and name HB* )) ( (resid 12 and name HD1* )) 3.37 1.57 0.34
assign ((resid 12 and name HB* )) ( (resid 13 and name HN )) 3.73 1.93 0.37
assign ((resid 13 and name HB* )) ( (resid 14 and name HN )) 3.56 1.76 0.36
assign ((resid 13 and name HB* )) ( (resid 75 and name HD* )) 3.67 1.87 0.37
assign ((resid 14 and name HA* )) ( (resid 15 and name HN )) 3.10 1.30 0.31
assign ((resid 15 and name HA )) ( (resid 73 and name HB* )) 4.03 2.23 0.40
assign ((resid 15 and name HG2* )) ( (resid 16 and name HG1* )) 3.97 2.17 0.40
assign ((resid 15 and name HG2* )) ( (resid 17 and name HD2* )) 4.08 2.28 0.41
assign ((resid 15 and name HG2* )) ( (resid 71 and name HG* )) 3.24 1.44 0.32
assign ((resid 15 and name HG2* )) ( (resid 73 and name HB* )) 4.79 2.99 0.48
assign ((resid 16 and name HN )) ( (resid 16 and name HG1* )) 3.82 2.02 0.38
assign ((resid 16 and name HA )) ( (resid 17 and name HB* )) 5.17 3.37 0.52
assign ((resid 16 and name HG2* )) ( (resid 16 and name HG1* )) 3.28 1.48 0.33
assign ((resid 16 and name HG1* )) ( (resid 72 and name HN )) 4.25 2.45 0.43
assign ((resid 17 and name HN )) ( (resid 17 and name HB* )) 3.35 1.55 0.34
assign ((resid 17 and name HA )) ( (resid 17 and name HD2* )) 3.95 2.15 0.40
assign ((resid 17 and name HB* )) ( (resid 18 and name HN )) 3.89 2.09 0.39
assign ((resid 17 and name HB* )) ( (resid 69 and name HG2* )) 4.27 2.47 0.43
assign ((resid 17 and name HB* )) ( (resid 71 and name HA )) 4.53 2.73 0.45
assign ((resid 17 and name HB* )) ( (resid 93 and name HD1* )) 4.15 2.35 0.42
assign ((resid 17 and name HD2* )) ( (resid 71 and name HN )) 4.59 2.79 0.46
assign ((resid 17 and name HD2* )) ( (resid 71 and name HA )) 4.11 2.31 0.41
assign ((resid 17 and name HD2* )) ( (resid 71 and name HG* )) 3.83 2.03 0.38
assign ((resid 17 and name HD2* )) ( (resid 72 and name HN )) 4.82 3.02 0.48
assign ((resid 17 and name HD2* )) ( (resid 93 and name HG1* )) 4.88 3.08 0.49
assign ((resid 18 and name HB* )) ( (resid 46 and name HB* )) 4.46 2.66 0.45
assign ((resid 20 and name HG1* )) ( (resid 66 and name HB* )) 4.25 2.45 0.43
assign ((resid 20 and name HG1* )) ( (resid 66 and name HG* )) 4.70 2.90 0.47
assign ((resid 20 and name HG2* )) ( (resid 68 and name HB* )) 3.75 1.95 0.38
assign ((resid 21 and name HA )) ( (resid 66 and name HG* )) 4.10 2.30 0.41
assign ((resid 21 and name HG1* )) ( (resid 45 and name HD* )) 3.79 1.99 0.38
assign ((resid 21 and name HG2* )) ( (resid 45 and name HD* )) 3.40 1.60 0.34
assign ((resid 22 and name HN )) ( (resid 66 and name HG* )) 4.82 3.02 0.48
assign ((resid 22 and name HA )) ( (resid 66 and name HB* )) 4.15 2.35 0.42
assign ((resid 23 and name HN )) ( (resid 66 and name HB* )) 4.16 2.36 0.42
assign ((resid 23 and name HN )) ( (resid 66 and name HD* )) 5.34 3.54 0.53
assign ((resid 23 and name HB* )) ( (resid 40 and name HE* )) 4.24 2.44 0.42
assign ((resid 23 and name HB* )) ( (resid 66 and name HB* )) 3.94 2.14 0.39
assign ((resid 24 and name HN )) ( (resid 24 and name HB* )) 3.27 1.47 0.33
assign ((resid 24 and name HA )) ( (resid 25 and name HG* )) 4.30 2.50 0.43
assign ((resid 24 and name HA )) ( (resid 25 and name HD* )) 3.31 1.51 0.33
assign ((resid 24 and name HB* )) ( (resid 25 and name HD* )) 3.47 1.67 0.35
assign ((resid 24 and name HB* )) ( (resid 41 and name HN )) 4.24 2.44 0.42
assign ((resid 24 and name HB* )) ( (resid 41 and name HB* )) 3.90 2.10 0.39
assign ((resid 24 and name HD* )) ( (resid 41 and name HB* )) 3.68 1.88 0.37
assign ((resid 25 and name HB* )) ( (resid 26 and name HN )) 3.49 1.69 0.35
assign ((resid 26 and name HN )) ( (resid 26 and name HD* )) 4.06 2.26 0.41
assign ((resid 26 and name HA )) ( (resid 26 and name HD* )) 4.56 2.76 0.46
assign ((resid 26 and name HB* )) ( (resid 26 and name HD* )) 3.23 1.43 0.32
assign ((resid 27 and name HB1 )) ( (resid 28 and name HG* )) 4.70 2.90 0.47
assign ((resid 28 and name HA )) ( (resid 28 and name HG* )) 3.54 1.74 0.35
assign ((resid 28 and name HG* )) ( (resid 29 and name HN )) 4.25 2.45 0.43
assign ((resid 29 and name HB* )) ( (resid 30 and name HN )) 3.35 1.55 0.34
assign ((resid 29 and name HD* )) ( (resid 31 and name HG* )) 4.64 2.84 0.46
assign ((resid 29 and name HE* )) ( (resid 31 and name HG* )) 3.80 2.00 0.38
assign ((resid 29 and name HE* )) ( (resid 37 and name HA* )) 4.51 2.71 0.45
assign ((resid 29 and name HE* )) ( (resid 56 and name HB* )) 5.27 3.47 0.53
assign ((resid 29 and name HZ )) ( (resid 37 and name HA* )) 4.04 2.24 0.40
assign ((resid 30 and name HN )) ( (resid 30 and name HB* )) 3.17 1.37 0.32
assign ((resid 30 and name HB* )) ( (resid 31 and name HN )) 3.66 1.86 0.37
assign ((resid 31 and name HN )) ( (resid 31 and name HG* )) 3.38 1.58 0.34
assign ((resid 31 and name HN )) ( (resid 31 and name HD* )) 4.33 2.53 0.43
assign ((resid 31 and name HG* )) ( (resid 32 and name HN )) 5.15 3.35 0.52
assign ((resid 31 and name HG* )) ( (resid 37 and name HN )) 4.28 2.48 0.43
assign ((resid 31 and name HG* )) ( (resid 37 and name HA* )) 4.54 2.74 0.45
assign ((resid 32 and name HN )) ( (resid 32 and name HG* )) 4.69 2.89 0.47
assign ((resid 33 and name HN )) ( (resid 33 and name HB* )) 3.26 1.46 0.33
assign ((resid 37 and name HA* )) ( (resid 57 and name HN )) 4.80 3.00 0.48
assign ((resid 38 and name HN )) ( (resid 38 and name HB* )) 3.52 1.72 0.35
assign ((resid 38 and name HN )) ( (resid 38 and name HG* )) 3.68 1.88 0.37
assign ((resid 38 and name HA )) ( (resid 38 and name HG* )) 3.63 1.83 0.36
assign ((resid 38 and name HB* )) ( (resid 38 and name HE* )) 3.49 1.69 0.35
assign ((resid 38 and name HB* )) ( (resid 39 and name HN )) 3.88 2.08 0.39
assign ((resid 38 and name HB* )) ( (resid 57 and name HN )) 5.34 3.54 0.53
assign ((resid 38 and name HB* )) ( (resid 60 and name HN )) 5.34 3.54 0.53
assign ((resid 38 and name HB* )) ( (resid 60 and name HB* )) 3.91 2.11 0.39
assign ((resid 38 and name HG* )) ( (resid 38 and name HE* )) 3.08 1.28 0.31
assign ((resid 38 and name HG* )) ( (resid 39 and name HN )) 4.42 2.62 0.44
assign ((resid 38 and name HG* )) ( (resid 57 and name HN )) 4.65 2.85 0.47
assign ((resid 38 and name HG* )) ( (resid 60 and name HB* )) 3.90 2.10 0.39
assign ((resid 38 and name HE* )) ( (resid 60 and name HN )) 4.44 2.64 0.44
assign ((resid 38 and name HE* )) ( (resid 60 and name HB* )) 3.48 1.68 0.35
assign ((resid 39 and name HD1* )) ( (resid 41 and name HB* )) 4.73 2.93 0.47
assign ((resid 40 and name HN )) ( (resid 40 and name HB* )) 3.46 1.66 0.35
assign ((resid 40 and name HB* )) ( (resid 40 and name HD* )) 2.80 1.00 0.28
assign ((resid 40 and name HB* )) ( (resid 40 and name HE* )) 4.68 2.88 0.47
assign ((resid 40 and name HB* )) ( (resid 41 and name HN )) 4.29 2.49 0.43
assign ((resid 40 and name HB* )) ( (resid 55 and name HB2 )) 4.09 2.29 0.41
assign ((resid 40 and name HB* )) ( (resid 60 and name HA )) 3.80 2.00 0.38
assign ((resid 40 and name HB* )) ( (resid 60 and name HB* )) 3.45 1.65 0.34
assign ((resid 40 and name HG* )) ( (resid 40 and name HE* )) 3.17 1.37 0.32
assign ((resid 40 and name HG* )) ( (resid 41 and name HN )) 3.68 1.88 0.37
assign ((resid 40 and name HD* )) ( (resid 55 and name HD1* )) 5.15 3.35 0.52
assign ((resid 40 and name HD* )) ( (resid 60 and name HA )) 4.36 2.56 0.44
assign ((resid 40 and name HD* )) ( (resid 64 and name HG1* )) 4.64 2.84 0.46
assign ((resid 40 and name HE* )) ( (resid 42 and name HD2* )) 3.37 1.57 0.34
assign ((resid 40 and name HE* )) ( (resid 55 and name HD1* )) 4.21 2.41 0.42
assign ((resid 40 and name HE* )) ( (resid 64 and name HG1* )) 3.50 1.70 0.35
assign ((resid 41 and name HN )) ( (resid 41 and name HB* )) 3.38 1.58 0.34
assign ((resid 41 and name HB* )) ( (resid 42 and name HN )) 3.79 1.99 0.38
assign ((resid 43 and name HD* )) ( (resid 45 and name HD* )) 4.27 2.47 0.43
assign ((resid 43 and name HD* )) ( (resid 52 and name HB* )) 5.34 3.54 0.53
assign ((resid 43 and name HD* )) ( (resid 52 and name HG* )) 4.63 2.83 0.46
assign ((resid 45 and name HN )) ( (resid 45 and name HD* )) 4.57 2.77 0.46
assign ((resid 45 and name HB2 )) ( (resid 45 and name HD* )) 3.40 1.60 0.34
assign ((resid 45 and name HB1 )) ( (resid 45 and name HD* )) 3.13 1.33 0.31
assign ((resid 46 and name HB* )) ( (resid 47 and name HN )) 3.23 1.43 0.32
assign ((resid 51 and name HN )) ( (resid 51 and name HG1* )) 4.70 2.90 0.47
assign ((resid 51 and name HA )) ( (resid 51 and name HG1* )) 3.54 1.74 0.35
assign ((resid 51 and name HG2* )) ( (resid 51 and name HG1* )) 3.39 1.59 0.34
assign ((resid 51 and name HG1* )) ( (resid 52 and name HN )) 3.48 1.68 0.35
assign ((resid 51 and name HG1* )) ( (resid 85 and name HN )) 4.57 2.77 0.46
assign ((resid 52 and name HN )) ( (resid 52 and name HB* )) 3.22 1.42 0.32
assign ((resid 52 and name HN )) ( (resid 52 and name HG* )) 3.29 1.49 0.33
assign ((resid 52 and name HB* )) ( (resid 53 and name HN )) 3.93 2.13 0.39
assign ((resid 52 and name HG* )) ( (resid 53 and name HN )) 4.05 2.25 0.41
assign ((resid 55 and name HD1* )) ( (resid 62 and name HB* )) 3.79 1.99 0.38
assign ((resid 56 and name HN )) ( (resid 56 and name HB* )) 3.35 1.55 0.34
assign ((resid 56 and name HB* )) ( (resid 56 and name HE3 )) 3.65 1.85 0.37
assign ((resid 56 and name HB* )) ( (resid 57 and name HN )) 3.69 1.89 0.37
assign ((resid 56 and name HE1 )) ( (resid 86 and name HB* )) 4.48 2.68 0.45
assign ((resid 57 and name HB* )) ( (resid 57 and name HD2* )) 3.04 1.24 0.30
assign ((resid 57 and name HB* )) ( (resid 58 and name HN )) 3.12 1.32 0.31
assign ((resid 57 and name HB* )) ( (resid 59 and name HN )) 3.99 2.19 0.40
assign ((resid 57 and name HD2* )) ( (resid 58 and name HN )) 4.51 2.71 0.45
assign ((resid 59 and name HA )) ( (resid 62 and name HB* )) 4.07 2.27 0.41
assign ((resid 59 and name HD2* )) ( (resid 62 and name HB* )) 4.29 2.49 0.43
assign ((resid 60 and name HN )) ( (resid 61 and name HB* )) 5.34 3.54 0.53
assign ((resid 61 and name HN )) ( (resid 61 and name HB* )) 3.05 1.25 0.31
assign ((resid 61 and name HN )) ( (resid 62 and name HB* )) 4.67 2.87 0.47
assign ((resid 61 and name HB* )) ( (resid 62 and name HN )) 4.25 2.45 0.43
assign ((resid 62 and name HE* )) ( (resid 92 and name HG1* )) 3.91 2.11 0.39
assign ((resid 62 and name HZ )) ( (resid 91 and name HA* )) 3.91 2.11 0.39
assign ((resid 62 and name HZ )) ( (resid 92 and name HG1* )) 3.62 1.82 0.36
assign ((resid 63 and name HA )) ( (resid 63 and name HG* )) 3.63 1.83 0.36
assign ((resid 63 and name HB* )) ( (resid 64 and name HN )) 4.08 2.28 0.41
assign ((resid 63 and name HG* )) ( (resid 64 and name HN )) 3.76 1.96 0.38
assign ((resid 64 and name HG1* )) ( (resid 65 and name HG* )) 5.04 3.24 0.50
assign ((resid 64 and name HG2* )) ( (resid 68 and name HB* )) 3.71 1.91 0.37
assign ((resid 64 and name HG2* )) ( (resid 92 and name HG1* )) 4.64 2.84 0.46
assign ((resid 65 and name HN )) ( (resid 65 and name HB* )) 3.41 1.61 0.34
assign ((resid 65 and name HN )) ( (resid 65 and name HG* )) 3.57 1.77 0.36
assign ((resid 65 and name HN )) ( (resid 68 and name HB* )) 3.99 2.19 0.40
assign ((resid 65 and name HB* )) ( (resid 65 and name HD* )) 3.38 1.58 0.34
assign ((resid 65 and name HB* )) ( (resid 66 and name HN )) 2.94 1.14 0.29
assign ((resid 65 and name HB* )) ( (resid 68 and name HN )) 4.75 2.95 0.47
assign ((resid 65 and name HG* )) ( (resid 65 and name HE* )) 3.17 1.37 0.32
assign ((resid 65 and name HG* )) ( (resid 66 and name HN )) 5.12 3.32 0.51
assign ((resid 65 and name HG* )) ( (resid 92 and name HD1* )) 4.69 2.89 0.47
assign ((resid 66 and name HA )) ( (resid 66 and name HD* )) 4.39 2.59 0.44
assign ((resid 66 and name HB* )) ( (resid 66 and name HD* )) 2.52 0.72 0.25
assign ((resid 66 and name HB* )) ( (resid 66 and name HE* )) 3.66 1.86 0.37
assign ((resid 66 and name HB* )) ( (resid 67 and name HN )) 4.30 2.50 0.43
assign ((resid 66 and name HG* )) ( (resid 67 and name HN )) 3.82 2.02 0.38
assign ((resid 68 and name HN )) ( (resid 68 and name HB* )) 3.22 1.42 0.32
assign ((resid 68 and name HB* )) ( (resid 69 and name HN )) 3.56 1.76 0.36
assign ((resid 68 and name HB* )) ( (resid 92 and name HG2* )) 3.86 2.06 0.39
assign ((resid 68 and name HB* )) ( (resid 92 and name HD1* )) 3.68 1.88 0.37
assign ((resid 69 and name HN )) ( (resid 69 and name HG1* )) 3.39 1.59 0.34
assign ((resid 69 and name HB )) ( (resid 93 and name HG1* )) 4.63 2.83 0.46
assign ((resid 69 and name HG2* )) ( (resid 93 and name HG1* )) 4.03 2.23 0.40
assign ((resid 71 and name HN )) ( (resid 71 and name HG* )) 4.28 2.48 0.43
assign ((resid 71 and name HN )) ( (resid 93 and name HG1* )) 3.61 1.81 0.36
assign ((resid 71 and name HA )) ( (resid 71 and name HG* )) 3.52 1.72 0.35
assign ((resid 71 and name HB2 )) ( (resid 93 and name HG1* )) 5.22 3.42 0.52
assign ((resid 71 and name HB1 )) ( (resid 93 and name HG1* )) 5.20 3.40 0.52
assign ((resid 71 and name HG* )) ( (resid 72 and name HN )) 4.14 2.34 0.41
assign ((resid 71 and name HG* )) ( (resid 93 and name HD1* )) 4.62 2.82 0.46
assign ((resid 72 and name HG1* )) ( (resid 73 and name HB* )) 5.01 3.21 0.50
assign ((resid 73 and name HN )) ( (resid 89 and name HB* )) 4.25 2.45 0.43
assign ((resid 73 and name HB* )) ( (resid 89 and name HN )) 4.42 2.62 0.44
assign ((resid 73 and name HB* )) ( (resid 89 and name HB* )) 3.41 1.61 0.34
assign ((resid 75 and name HN )) ( (resid 85 and name HG1* )) 3.88 2.08 0.39
assign ((resid 75 and name HN )) ( (resid 86 and name HB* )) 4.07 2.27 0.41
assign ((resid 75 and name HB1 )) ( (resid 86 and name HB* )) 4.23 2.43 0.42
assign ((resid 75 and name HD* )) ( (resid 77 and name HB* )) 4.34 2.54 0.43
assign ((resid 75 and name HD* )) ( (resid 77 and name HG* )) 3.72 1.92 0.37
assign ((resid 75 and name HD* )) ( (resid 86 and name HB* )) 5.34 3.54 0.53
assign ((resid 75 and name HE* )) ( (resid 77 and name HB* )) 4.66 2.86 0.47
assign ((resid 75 and name HE* )) ( (resid 77 and name HG* )) 3.85 2.05 0.38
assign ((resid 76 and name HN )) ( (resid 85 and name HG1* )) 4.66 2.86 0.47
assign ((resid 76 and name HA )) ( (resid 85 and name HG1* )) 4.38 2.58 0.44
assign ((resid 76 and name HG2* )) ( (resid 85 and name HG1* )) 3.52 1.72 0.35
assign ((resid 77 and name HB* )) ( (resid 77 and name HD* )) 2.30 0.50 0.23
assign ((resid 77 and name HB* )) ( (resid 78 and name HN )) 3.71 1.91 0.37
assign ((resid 77 and name HG* )) ( (resid 77 and name HE* )) 3.27 1.47 0.33
assign ((resid 77 and name HD* )) ( (resid 86 and name HB* )) 4.59 2.79 0.46
assign ((resid 78 and name HN )) ( (resid 78 and name HB* )) 2.93 1.13 0.29
assign ((resid 78 and name HN )) ( (resid 78 and name HG* )) 4.15 2.35 0.42
assign ((resid 78 and name HB* )) ( (resid 83 and name HD2* )) 3.60 1.80 0.36
assign ((resid 78 and name HG* )) ( (resid 79 and name HN )) 4.08 2.28 0.41
assign ((resid 78 and name HG* )) ( (resid 84 and name HN )) 5.34 3.54 0.53
assign ((resid 80 and name HB* )) ( (resid 81 and name HN )) 4.28 2.48 0.43
assign ((resid 84 and name HN )) ( (resid 84 and name HB* )) 3.51 1.71 0.35
assign ((resid 84 and name HN )) ( (resid 84 and name HG* )) 3.63 1.83 0.36
assign ((resid 84 and name HB* )) ( (resid 85 and name HN )) 3.62 1.82 0.36
assign ((resid 84 and name HG* )) ( (resid 85 and name HN )) 4.37 2.57 0.44
assign ((resid 85 and name HN )) ( (resid 85 and name HG1* )) 4.63 2.83 0.46
assign ((resid 86 and name HB* )) ( (resid 87 and name HN )) 4.16 2.36 0.42
assign ((resid 89 and name HN )) ( (resid 89 and name HB* )) 3.27 1.47 0.33
assign ((resid 89 and name HA )) ( (resid 89 and name HD2* )) 4.06 2.26 0.41
assign ((resid 89 and name HB* )) ( (resid 89 and name HD2* )) 3.17 1.37 0.32
assign ((resid 89 and name HB* )) ( (resid 90 and name HN )) 4.00 2.20 0.40
assign ((resid 91 and name HA* )) ( (resid 92 and name HN )) 2.98 1.18 0.30
assign ((resid 92 and name HN )) ( (resid 92 and name HG1* )) 3.25 1.45 0.33
assign ((resid 92 and name HG2* )) ( (resid 95 and name HB* )) 4.39 2.59 0.44
assign ((resid 92 and name HG2* )) ( (resid 95 and name HG* )) 3.83 2.03 0.38
assign ((resid 93 and name HN )) ( (resid 93 and name HG1* )) 3.52 1.72 0.35
assign ((resid 93 and name HG2* )) ( (resid 93 and name HG1* )) 3.07 1.27 0.31
assign ((resid 93 and name HG1* )) ( (resid 94 and name HN )) 4.41 2.61 0.44
assign ((resid 94 and name HN )) ( (resid 94 and name HB* )) 3.40 1.60 0.34
assign ((resid 94 and name HN )) ( (resid 95 and name HG* )) 5.34 3.54 0.53
assign ((resid 94 and name HB* )) ( (resid 95 and name HN )) 3.91 2.11 0.39
assign ((resid 95 and name HN )) ( (resid 95 and name HB* )) 3.18 1.38 0.32
assign ((resid 95 and name HA )) ( (resid 95 and name HG* )) 3.60 1.80 0.36
assign ((resid 95 and name HB* )) ( (resid 95 and name HD* )) 2.65 0.85 0.27
assign ((resid 95 and name HG* )) ( (resid 95 and name HE* )) 3.28 1.48 0.33
assign ((resid 95 and name HG* )) ( (resid 96 and name HN )) 4.92 3.12 0.49
assign ((resid 96 and name HB* )) ( (resid 97 and name HN )) 3.71 1.91 0.37
assign ((resid 97 and name HN )) ( (resid 97 and name HB* )) 3.25 1.45 0.33
assign ((resid 97 and name HN )) ( (resid 97 and name HD* )) 3.88 2.08 0.39
assign ((resid 97 and name HA )) ( (resid 97 and name HD* )) 3.27 1.47 0.33
assign ((resid 97 and name HB* )) ( (resid 98 and name HN )) 3.73 1.93 0.37
assign ((resid 97 and name HD* )) ( (resid 98 and name HN )) 4.66 2.86 0.47
assign ((resid 98 and name HN )) ( (resid 98 and name HB* )) 3.03 1.23 0.30
assign ((resid 98 and name HA )) ( (resid 98 and name HG* )) 3.44 1.64 0.34
list of removed NOE constraints
8-> ALA 18 HN - ALA 18 HB* 1.80 3.87 # NoRestrctn I [2.66 3.68] -- intra
11-> ALA 22 HN - ALA 22 HB* 1.80 3.83 # NoRestrctn I [2.66 3.68] -- intra
13-> THR 35 HN - THR 35 HB 1.80 4.57 # NoRestrctn I [2.00 4.30] -- intra
17-> VAL 64 HN - VAL 64 HB 1.80 4.58 # NoRestrctn I [2.00 4.30] -- intra
19-> ALA 70 HN - ALA 70 HB* 1.80 3.75 # NoRestrctn I [2.66 3.68] -- intra
24-> ILE 90 HN - ILE 90 HB 1.80 4.60 # NoRestrctn I [2.00 4.30] -- intra
27-> TYR 3 HN - TYR 3 HB2 1.80 4.51 # NoRestrctn I [2.00 4.30] -- intra
28-> LYS 4 HN - LYS 4 HB2 1.80 4.62 # NoRestrctn I [2.00 4.30] -- intra
29-> SER 6 HN - SER 6 HB2 1.80 4.48 # NoRestrctn I [2.00 4.30] -- intra
31-> LEU 8 HN - LEU 8 HB2 1.80 4.37 # NoRestrctn I [2.00 4.30] -- intra
33-> ASN 17 HN - ASN 17 HB2 1.80 4.32 # NoRestrctn I [2.00 4.30] -- intra
39-> GLN 38 HN - GLN 38 HB2 1.80 4.57 # NoRestrctn I [2.00 4.30] -- intra
44-> LYS 45 HN - LYS 45 HB1 1.80 4.39 # NoRestrctn I [2.00 4.30] -- intra
55-> LYS 65 HN - LYS 65 HB2 1.80 4.30 # NoRestrctn I [2.00 4.30] -- intra
60-> LYS 77 HN - LYS 77 HB2 1.80 4.43 # NoRestrctn I [2.00 4.30] -- intra
63-> SER 81 HN - SER 81 HB* 1.80 4.44 # NoRestrctn I [2.29 3.93] -- intra
65-> GLU 84 HN - GLU 84 HB2 1.80 4.44 # NoRestrctn I [2.00 4.30] -- intra
70-> LYS 95 HN - LYS 95 HB2 1.80 4.35 # NoRestrctn I [2.00 4.30] -- intra
71-> SER 96 HN - SER 96 HB2 1.80 4.44 # NoRestrctn I [2.00 4.30] -- intra
74-> TYR 3 HN - TYR 3 HB1 1.80 4.51 # NoRestrctn I [2.00 4.30] -- intra
75-> SER 6 HN - SER 6 HB1 1.80 4.48 # NoRestrctn I [2.00 4.30] -- intra
76-> LEU 8 HN - LEU 8 HB1 1.80 4.37 # NoRestrctn I [2.00 4.30] -- intra
79-> ASN 17 HN - ASN 17 HB1 1.80 4.32 # NoRestrctn I [2.00 4.30] -- intra
88-> GLN 38 HN - GLN 38 HB1 1.80 4.57 # NoRestrctn I [2.00 4.30] -- intra
91-> LEU 44 HN - LEU 44 HB1 1.80 4.42 # NoRestrctn I [2.00 4.30] -- intra
92-> LYS 45 HN - LYS 45 HB2 1.80 4.47 # NoRestrctn I [2.00 4.30] -- intra
93-> SER 50 HN - SER 50 HB* 1.80 4.05 # NoRestrctn I [2.29 3.93] -- intra
95-> LEU 55 HN - LEU 55 HB2 1.80 4.54 # NoRestrctn I [2.00 4.30] -- intra
101-> LYS 65 HN - LYS 65 HB1 1.80 4.30 # NoRestrctn I [2.00 4.30] -- intra
103-> GLU 71 HN - GLU 71 HB2 1.80 4.35 # NoRestrctn I [2.00 4.30] -- intra
105-> LYS 77 HN - LYS 77 HB1 1.80 4.43 # NoRestrctn I [2.00 4.30] -- intra
109-> GLU 84 HN - GLU 84 HB1 1.80 4.44 # NoRestrctn I [2.00 4.30] -- intra
111-> ASP 88 HN - ASP 88 HB* 1.80 3.98 # NoRestrctn I [2.29 3.93] -- intra
113-> GLU 94 HN - GLU 94 HB1 1.80 4.52 # NoRestrctn I [2.00 4.30] -- intra
114-> LYS 95 HN - LYS 95 HB1 1.80 4.35 # NoRestrctn I [2.00 4.30] -- intra
115-> SER 96 HN - SER 96 HB1 1.80 4.44 # NoRestrctn I [2.00 4.30] -- intra
116-> LEU 97 HN - LEU 97 HB1 1.80 4.49 # NoRestrctn I [2.00 4.30] -- intra
218-> LYS 4 HN - LYS 4 HB1 1.80 4.62 # NoRestrctn I [2.00 4.30] -- intra
258-> LYS 32 HN - LYS 32 HG2 1.80 6.05 # NoRestrctn I [2.35 6.01] -- intra
259-> LYS 32 HN - LYS 32 HG1 1.80 6.05 # NoRestrctn I [2.35 6.01] -- intra
281-> ILE 90 HN - ILE 90 HD1* 1.80 6.05 # NoRestrctn I [2.29 6.01] -- intra
292-> LYS 32 HN - LYS 32 HB* 1.80 4.53 # NoRestrctn I [2.29 3.93] -- intra
326-> ASN 11 HB2 - ASN 11 HD21 1.80 4.27 # NoRestrctn I [2.10 3.57] -- intra
327-> ASN 57 HB2 - ASN 57 HD21 1.80 4.44 # NoRestrctn I [2.10 3.57] -- intra
328-> ASN 11 HB1 - ASN 11 HD21 1.80 4.27 # NoRestrctn I [2.10 3.57] -- intra
329-> ASN 57 HB1 - ASN 57 HD21 1.80 4.44 # NoRestrctn I [2.10 3.57] -- intra
378-> THR 48 HN - GLY 49 HA* 1.80 5.08 # NoRestrctn S [2.00 3.55] -- sequential
775-> ILE 5 HA - ILE 5 HG2* 1.80 4.05 # NoRestrctn I [2.63 3.78] -- intra
776-> GLU 7 HA - GLU 7 HG* 1.80 4.16 # NoRestrctn I [2.23 4.01] -- intra
783-> ILE 93 HA - ILE 93 HG2* 1.80 3.82 # NoRestrctn I [2.63 3.78] -- intra
784-> GLU 94 HA - GLU 94 HG* 1.80 4.35 # NoRestrctn I [2.23 4.01] -- intra
787-> LYS 26 HA - LYS 26 HG* 1.80 4.60 # NoRestrctn I [2.23 4.01] -- intra
791-> LEU 44 HA - LEU 44 HG 1.80 4.68 # NoRestrctn I [2.06 4.26] -- intra
813-> GLU 94 HN - GLU 94 HB2 1.80 4.52 # NoRestrctn I [2.00 4.30] -- intra
814-> LEU 97 HN - LEU 97 HB2 1.80 4.49 # NoRestrctn I [2.00 4.30] -- intra
816-> ILE 92 HB - ILE 92 HD1* 1.80 3.88 # NoRestrctn I [2.63 3.78] -- intra
824-> LYS 27 HA - LYS 27 HG* 1.80 4.38 # NoRestrctn I [2.23 4.01] -- intra
832-> GLU 19 HB* - GLU 19 HG* 1.80 2.88 # NoRestrctn I [2.26 2.50] -- intra
833-> GLU 58 HB* - GLU 58 HG* 1.80 3.19 # NoRestrctn I [2.26 2.50] -- intra
848-> LYS 27 HN - LYS 27 HB1 1.80 4.54 # NoRestrctn I [2.00 4.30] -- intra
873-> LYS 77 HD* - LYS 77 HE* 1.80 3.31 # NoRestrctn I [2.27 2.51] -- intra
874-> LYS 65 HD* - LYS 65 HE* 1.80 3.20 # NoRestrctn I [2.27 2.51] -- intra
918-> LYS 27 HG* - LYS 27 HD* 1.80 3.06 # NoRestrctn I [2.26 2.50] -- intra
921-> ILE 51 HB - ILE 51 HD1* 1.80 3.89 # NoRestrctn I [2.63 3.78] -- intra
923-> ILE 5 HB - ILE 5 HD1* 1.80 3.86 # NoRestrctn I [2.63 3.78] -- intra
924-> ILE 16 HB - ILE 16 HD1* 1.80 3.98 # NoRestrctn I [2.63 3.78] -- intra
927-> ILE 93 HB - ILE 93 HD1* 1.80 4.07 # NoRestrctn I [2.63 3.78] -- intra
940-> ILE 16 HA - ILE 16 HG2* 1.80 3.92 # NoRestrctn I [2.63 3.78] -- intra
946-> ILE 69 HA - ILE 69 HG2* 1.80 4.07 # NoRestrctn I [2.63 3.78] -- intra
949-> ILE 85 HA - ILE 85 HG2* 1.80 4.65 # NoRestrctn I [2.63 3.78] -- intra
950-> ILE 92 HA - ILE 92 HG2* 1.80 3.98 # NoRestrctn I [2.63 3.78] -- intra
968-> SER 41 HN - SER 41 HB1 1.80 4.38 # NoRestrctn I [2.00 4.30] -- intra
977-> SER 41 HN - SER 41 HB2 1.80 4.38 # NoRestrctn I [2.00 4.30] -- intra
1212-> ILE 85 HN - ILE 85 HG11 1.80 6.05 # NoRestrctn I [2.35 6.01] -- intra
1271-> MET 9 HA - PRO 10 HD2 1.80 4.27 # NoRestrctn S [2.00 3.95] -- sequential
1272-> MET 9 HA - PRO 10 HD1 1.80 4.27 # NoRestrctn S [2.00 3.95] -- sequential
1273-> TYR 24 HA - PRO 25 HD2 1.80 4.17 # NoRestrctn S [2.00 3.95] -- sequential
1274-> TYR 24 HA - PRO 25 HD1 1.80 4.17 # NoRestrctn S [2.00 3.95] -- sequential
1382-> ILE 85 HN - ILE 85 HG12 1.80 6.05 # NoRestrctn I [2.35 6.01] -- intra
1535-> MET 9 HN - MET 9 HB* 1.80 4.07 # NoRestrctn I [2.29 3.93] -- intra
1555-> LEU 12 HB* - LEU 12 HG 1.80 2.89 # NoRestrctn I [2.27 2.72] -- intra
1622-> LYS 32 HG* - LYS 32 HE* 1.80 3.74 # NoRestrctn I [2.52 3.73] -- intra
1624-> LYS 36 HG* - LYS 36 HE* 1.80 3.79 # NoRestrctn I [2.52 3.73] -- intra
1648-> LYS 40 HG* - LYS 40 HD* 1.80 2.55 # NoRestrctn I [2.26 2.50] -- intra
1673-> ARG 52 HB* - ARG 52 HD* 1.80 3.75 # NoRestrctn I [2.53 3.73] -- intra
1709-> LYS 66 HA - LYS 66 HG* 1.80 4.09 # NoRestrctn I [2.23 4.01] -- intra
1730-> SER 73 HN - SER 73 HB* 1.80 4.02 # NoRestrctn I [2.29 3.93] -- intra
1745-> LYS 77 HA - LYS 77 HG* 1.80 4.08 # NoRestrctn I [2.23 4.01] -- intra
1758-> GLU 84 HA - GLU 84 HG* 1.80 4.03 # NoRestrctn I [2.23 4.01] -- intra
1759-> GLU 84 HB* - GLU 84 HG* 1.80 2.60 # NoRestrctn I [2.26 2.50] -- intra
1773-> ILE 93 HA - ILE 93 HG1* 1.80 4.08 # NoRestrctn I [2.23 4.01] -- intra
1788-> LEU 97 HB* - LEU 97 HD* 1.80 2.94 # NoRestrctn I [2.57 2.89] -- intra
====== TOTAL ======: 92
table of distance constraints violations
Residual Violations greater than 0.10
72-> LEU 97 HN - LEU 97 HG [ 1.80 3.41] 1.07 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.05 0.00 0.00 0.00 0.94 0.00 - 5 [ 0.05 .. 1.07]
82-> LYS 26 HB* - LYS 27 HN [ 1.80 3.58] 0.19 0.00 0.14 0.00 0.00 0.20 0.14 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.21 0.17 - 8 [ 0.12 .. 0.21]
100-> GLU 63 HN - GLU 63 HB3 [ 1.80 3.55] 0.08 0.05 0.10 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.05 .. 0.14]
207-> GLU 94 HA - LYS 95 HN [ 1.80 3.25] 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 0.25 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.25 .. 0.25]
213-> LEU 42 HN - LEU 42 HG [ 1.80 3.98] 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.46 0.51 0.00 0.00 0.00 0.51 0.00 0.39 0.50 0.00 0.45 - 7 [ 0.39 .. 0.51]
217-> LEU 83 HN - LEU 83 HG [ 1.80 3.38] 1.09 1.12 0.00 0.00 0.00 0.00 1.06 0.00 1.13 1.12 1.06 1.10 1.10 0.00 1.07 0.00 0.00 0.00 0.84 0.00 - 10 [ 0.84 .. 1.13]
227-> GLU 28 HN - GLU 28 HG2 [ 1.80 4.23] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.26 - 2 [ 0.26 .. 0.28]
228-> ARG 31 HN - ARG 31 HG2 [ 1.80 4.54] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.07 0.00 - 3 [ 0.01 .. 0.15]
229-> THR 35 HN - THR 35 HG2* [ 1.80 3.67] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.10 0.00 - 2 [ 0.10 .. 0.11]
242-> VAL 76 HN - VAL 76 HG2* [ 1.80 3.72] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.10 .. 0.10]
244-> GLU 84 HN - GLU 84 HG2 [ 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 0.37 0.00 0.00 0.26 0.00 0.07 0.00 - 3 [ 0.07 .. 0.37]
245-> ILE 85 HN - ILE 85 HG2* [ 1.80 3.64] 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.00 0.17 0.20 0.00 0.00 0.17 - 5 [ 0.17 .. 0.20]
251-> GLU 98 HN - GLU 98 HG2 [ 1.80 4.46] 0.09 0.00 0.00 0.00 0.23 0.00 0.09 0.00 0.24 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.24 0.09 0.00 0.10 - 8 [ 0.09 .. 0.24]
256-> GLU 28 HN - GLU 28 HG3 [ 1.80 4.23] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.42 - 2 [ 0.29 .. 0.42]
257-> ARG 31 HN - ARG 31 HG3 [ 1.80 4.54] 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.30 0.00 - 3 [ 0.04 .. 0.30]
264-> LYS 77 HN - LYS 77 HG3 [ 1.80 4.62] 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.23 0.00 0.14 0.00 0.00 0.16 0.00 0.00 0.00 - 4 [ 0.14 .. 0.23]
266-> GLU 84 HN - GLU 84 HG3 [ 1.80 4.58] 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.00 - 2 [ 0.09 .. 0.14]
268-> GLU 98 HN - GLU 98 HG3 [ 1.80 4.46] 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.00 - 3 [ 0.35 .. 0.36]
272-> ILE 16 HN - ILE 16 HD1* [ 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 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.19 .. 0.19]
278-> LEU 83 HN - LEU 83 HD1* [ 1.80 4.27] 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]
279-> ILE 51 HD1* - ILE 85 HN [ 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 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.00 - 1 [ 0.27 .. 0.27]
290-> ARG 31 HN - ARG 31 HD2 [ 1.80 5.57] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 - 2 [ 0.22 .. 0.46]
294-> TYR 24 HD* - PHE 43 HN [ 1.80 5.58] 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 - 3 [ 1.69 .. 2.31]
296-> LEU 42 HD1* - LEU 55 HN [ 1.80 5.22] 0.47 0.17 0.00 0.03 1.13 0.19 0.00 0.11 0.15 1.37 1.28 0.33 0.28 0.14 1.02 0.00 1.26 1.47 0.56 1.10 - 17 [ 0.03 .. 1.47]
300-> LEU 83 HN - LEU 83 HD2* [ 1.80 4.32] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.38 .. 0.38]
309-> LYS 66 HN - LYS 66 HB3 [ 1.80 3.22] 0.00 0.39 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 - 4 [ 0.38 .. 0.41]
323-> VAL 64 HN - VAL 64 HG1* [ 1.80 3.55] 0.23 0.33 0.00 0.00 0.33 0.33 0.00 0.34 0.00 0.00 0.00 0.30 0.30 0.32 0.00 0.33 0.30 0.00 0.00 0.00 - 10 [ 0.23 .. 0.34]
337-> ARG 31 HB* - GLY 34 HN [ 1.80 4.71] 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 0.00 0.00 0.00 - 1 [ 0.11 .. 0.11]
338-> GLY 34 HN - THR 35 HG2* [ 1.80 5.27] 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 0.63 0.00 0.00 0.00 0.00 0.07 0.00 - 2 [ 0.07 .. 0.63]
339-> GLY 79 HN - GLY 82 HN [ 1.80 5.06] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 - 1 [ 1.05 .. 1.05]
340-> TYR 80 HA - GLY 82 HN [ 1.80 4.77] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 - 1 [ 0.94 .. 0.94]
343-> ASN 17 HD22 - GLU 71 HA [ 1.80 5.26] 0.38 0.26 0.39 1.04 0.00 0.43 0.23 0.25 0.55 0.45 0.49 0.79 0.98 0.35 0.41 0.23 1.25 0.65 1.00 0.62 - 19 [ 0.23 .. 1.25]
344-> ASN 17 HD22 - GLU 71 HG2 [ 1.80 5.93] 1.30 0.90 0.07 2.32 0.00 1.41 0.98 0.00 1.63 1.28 1.41 1.69 2.20 0.02 1.37 0.00 2.56 1.82 2.14 1.72 - 17 [ 0.02 .. 2.56]
345-> ASN 17 HD22 - GLU 71 HB3 [ 1.80 5.62] 1.13 0.72 1.37 2.05 0.87 1.07 0.68 1.27 1.41 1.10 1.19 1.43 2.01 1.30 1.17 1.12 2.47 1.50 1.94 1.40 - 20 [ 0.68 .. 2.47]
346-> ASN 17 HD22 - GLU 71 HG3 [ 1.80 5.93] 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.50 0.00 0.00 0.00 0.84 0.18 0.45 0.07 - 7 [ 0.03 .. 0.84]
347-> THR 15 HG2* - ASN 17 HD22 [ 1.80 5.39] 1.31 1.04 0.00 2.11 0.00 1.51 1.04 0.00 1.63 1.18 1.21 1.60 2.00 0.00 1.40 0.00 1.37 1.48 1.94 1.73 - 15 [ 1.04 .. 2.11]
349-> ASN 17 HD21 - VAL 72 HN [ 1.80 6.05] 0.85 0.77 0.78 1.67 0.59 0.97 0.72 0.72 1.21 0.93 1.01 1.35 1.54 0.78 0.94 0.71 1.62 1.19 1.59 1.19 - 20 [ 0.59 .. 1.67]
351-> ASN 17 HD21 - GLU 71 HA [ 1.80 5.26] 0.21 0.13 0.78 0.96 0.42 0.23 0.08 0.73 0.53 0.30 0.26 0.57 0.93 0.77 0.23 0.65 1.01 0.44 0.95 0.42 - 20 [ 0.08 .. 1.01]
352-> ASN 17 HD21 - GLU 71 HG2 [ 1.80 5.93] 0.73 0.33 1.19 1.91 0.98 0.80 0.38 1.17 1.25 0.72 0.78 1.02 1.75 1.16 0.79 1.01 1.93 1.20 1.78 1.08 - 20 [ 0.33 .. 1.93]
353-> ASN 17 HD21 - GLU 71 HB3 [ 1.80 5.62] 1.18 0.82 2.29 2.18 1.93 1.08 0.75 2.29 1.64 1.17 1.17 1.35 2.12 2.27 1.21 2.10 2.36 1.45 2.14 1.35 - 20 [ 0.75 .. 2.36]
354-> ASN 17 HD21 - GLU 71 HG3 [ 1.80 5.93] 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.00 - 3 [ 0.00 .. 0.15]
355-> THR 15 HG2* - ASN 17 HD21 [ 1.80 5.39] 0.29 0.00 0.00 1.30 0.00 0.50 0.00 0.00 0.80 0.15 0.19 0.58 1.16 0.00 0.41 0.00 0.37 0.53 1.10 0.78 - 13 [ 0.15 .. 1.30]
359-> LEU 42 HB2 - GLY 53 HN [ 1.80 4.76] 0.30 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.69 0.53 0.00 0.23 0.00 0.61 0.00 0.46 0.60 0.05 0.70 - 10 [ 0.05 .. 0.70]
360-> LEU 44 HG - GLY 53 HN [ 1.80 5.26] 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.34 .. 1.34]
361-> GLY 53 HN - ILE 85 HG2* [ 1.80 5.09] 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.81 0.42 0.00 0.00 0.29 - 5 [ 0.29 .. 1.20]
365-> GLY 14 HN - VAL 76 HG2* [ 1.80 5.10] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.68 .. 1.68]
366-> LEU 12 HD2* - GLY 14 HN [ 1.80 5.07] 0.70 0.55 0.56 0.49 0.42 0.51 0.64 0.40 0.53 0.47 0.47 0.31 0.47 0.41 0.61 0.38 0.27 0.32 0.47 0.91 - 20 [ 0.27 .. 0.91]
381-> GLN 78 HE21 - GLY 79 HA2 [ 1.80 5.08] 3.46 0.75 1.18 1.22 0.44 1.38 3.34 0.00 1.42 0.43 0.65 1.31 3.44 3.36 3.54 0.79 0.46 0.24 0.46 0.88 - 19 [ 0.24 .. 3.54]
382-> GLN 78 HE21 - LEU 83 HD2* [ 1.80 5.19] 0.00 3.63 0.10 0.06 0.90 0.29 0.00 0.00 3.25 3.50 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.22 0.00 1.23 - 10 [ 0.06 .. 3.63]
383-> GLN 78 HE21 - GLY 79 HN [ 1.80 5.05] 1.74 0.18 0.35 0.38 0.10 0.59 1.51 0.00 0.35 0.00 0.00 0.67 1.63 1.70 1.72 0.00 0.00 0.00 0.00 0.00 - 12 [ 0.10 .. 1.74]
384-> GLN 78 HE22 - GLY 79 HA2 [ 1.80 6.05] 2.71 1.10 1.46 1.52 0.88 1.62 2.56 0.00 1.72 0.81 0.97 1.56 2.65 2.60 2.82 0.90 0.88 0.69 0.81 1.23 - 19 [ 0.69 .. 2.82]
385-> GLN 78 HE22 - LEU 83 HD2* [ 1.80 5.79] 0.00 3.53 0.12 0.14 0.81 0.21 0.00 0.00 3.07 3.44 0.00 1.39 0.20 0.00 0.00 0.00 0.00 0.17 0.00 1.03 - 11 [ 0.12 .. 3.53]
388-> LYS 45 HB2 - SER 50 HN [ 1.80 6.05] 0.27 0.03 0.00 0.00 0.00 0.00 0.00 0.15 0.02 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.32 0.00 - 6 [ 0.02 .. 0.32]
389-> SER 50 HN - ILE 51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.00 - 1 [ 0.36 .. 0.36]
394-> GLY 74 HN - ILE 85 HD1* [ 1.80 4.32] 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.71 2.99 0.00 0.00 1.37 - 5 [ 0.71 .. 2.99]
407-> GLN 38 HE22 - ALA 60 HB* [ 1.80 4.43] 2.04 0.52 1.34 0.35 0.00 2.09 1.33 1.54 0.00 0.53 1.24 0.00 1.13 0.00 0.00 1.21 2.16 1.80 0.00 1.63 - 14 [ 0.35 .. 2.16]
410-> GLN 38 HE22 - GLU 58 HA [ 1.80 4.86] 1.94 1.09 1.77 0.79 0.00 4.31 1.43 3.48 0.00 2.02 1.58 0.37 2.37 0.00 0.00 4.03 5.14 3.87 0.04 4.06 - 16 [ 0.04 .. 5.14]
415-> ASP 33 HN - THR 35 HN [ 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 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 - 1 [ 0.14 .. 0.14]
418-> PHE 29 HE* - GLN 38 HN [ 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 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 2.70 .. 2.70]
429-> ASN 11 HN - VAL 76 HB [ 1.80 5.09] 0.33 0.28 0.00 0.00 0.00 0.00 0.10 0.02 0.15 0.08 0.00 1.10 0.01 0.07 0.48 0.00 0.00 0.00 0.00 0.00 - 11 [ 0.00 .. 1.10]
440-> ASP 33 HN - GLY 34 HN [ 1.80 3.85] 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 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.12 .. 0.12]
454-> LEU 12 HD2* - SER 13 HN [ 1.80 4.66] 0.16 0.17 0.07 0.08 0.00 0.09 0.20 0.09 0.19 0.28 0.16 0.00 0.09 0.07 0.21 0.12 0.21 0.10 0.08 0.11 - 18 [ 0.07 .. 0.28]
455-> GLY 79 HN - LEU 83 HA [ 1.80 3.98] 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 0.06 0.00 0.00 0.00 0.00 0.11 - 2 [ 0.06 .. 0.11]
458-> GLY 79 HN - LEU 83 HD2* [ 1.80 4.77] 2.21 2.18 0.00 0.00 0.00 0.00 2.03 0.00 2.23 2.29 1.95 1.86 2.22 0.00 2.29 0.00 0.00 0.00 0.07 0.12 - 11 [ 0.07 .. 2.29]
463-> LYS 66 HG3 - GLY 67 HN [ 1.80 4.86] 0.00 0.15 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 - 4 [ 0.07 .. 0.15]
467-> MET 9 HN - LEU 12 HD1* [ 1.80 4.36] 0.05 0.42 0.00 0.00 0.20 0.00 0.01 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.09 0.00 0.00 0.03 - 8 [ 0.01 .. 0.42]
493-> LEU 83 HD2* - GLU 84 HN [ 1.80 4.41] 0.27 0.17 0.00 0.00 0.00 0.00 0.22 0.00 0.39 0.26 0.33 0.74 0.00 0.00 0.17 0.00 0.00 0.00 0.18 0.00 - 9 [ 0.17 .. 0.74]
494-> LEU 83 HB3 - GLU 84 HN [ 1.80 4.21] 0.17 0.06 0.00 0.00 0.00 0.00 0.14 0.00 0.18 0.18 0.19 0.31 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 - 8 [ 0.06 .. 0.31]
508-> LEU 12 HN - VAL 76 HB [ 1.80 4.03] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.87 .. 0.87]
515-> LYS 26 HB* - LEU 39 HN [ 1.80 4.86] 0.64 0.00 0.11 0.00 0.00 0.62 0.09 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.91 0.64 - 8 [ 0.09 .. 0.91]
518-> THR 35 HB - LYS 36 HN [ 1.80 3.49] 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 0.80 0.00 0.00 0.00 0.00 0.72 0.00 - 3 [ 0.01 .. 0.80]
521-> TYR 75 HN - ILE 85 HG13 [ 1.80 4.96] 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 1.69 1.21 0.00 0.00 2.07 - 5 [ 1.21 .. 2.46]
522-> TYR 75 HN - ILE 85 HD1* [ 1.80 5.29] 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.53 1.53 0.00 0.00 0.82 - 5 [ 0.53 .. 1.53]
523-> TYR 75 HN - ILE 85 HG12 [ 1.80 4.96] 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.45 1.53 0.00 0.00 0.75 - 5 [ 0.45 .. 1.53]
532-> ALA 23 HB* - LYS 66 HN [ 1.80 4.76] 0.52 0.00 0.00 0.30 0.47 0.00 0.72 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.27 1.76 0.00 0.00 - 7 [ 0.04 .. 1.76]
552-> LYS 45 HN - LYS 45 HG3 [ 1.80 4.62] 0.15 0.18 0.18 0.21 0.16 0.18 0.16 0.16 0.16 0.16 0.21 0.19 0.15 0.16 0.18 0.19 0.19 0.19 0.16 0.19 - 20 [ 0.15 .. 0.21]
565-> VAL 76 HG1* - GLN 78 HN [ 1.80 5.25] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.24 .. 0.24]
580-> LYS 45 HB3 - ILE 51 HN [ 1.80 5.46] 0.47 0.38 0.27 0.21 0.29 0.15 0.31 0.43 0.41 0.22 0.15 0.26 0.50 0.35 0.42 0.32 0.24 0.35 0.37 0.17 - 20 [ 0.15 .. 0.50]
587-> GLU 19 HN - LEU 44 HD2* [ 1.80 4.44] 0.02 0.20 0.00 0.26 0.00 0.23 0.08 0.00 0.00 0.12 0.19 0.11 0.00 0.17 0.11 0.16 0.00 0.00 0.00 0.07 - 12 [ 0.02 .. 0.26]
588-> LEU 59 HD1* - ILE 90 HN [ 1.80 4.54] 0.21 0.09 0.00 0.00 0.00 0.00 0.29 0.21 0.00 0.00 0.25 0.00 0.00 0.06 0.00 0.00 0.30 0.00 0.15 0.00 - 8 [ 0.06 .. 0.30]
590-> LEU 55 HD2* - ILE 90 HN [ 1.80 4.73] 0.14 0.22 0.09 0.34 0.66 0.13 0.50 0.42 0.11 0.18 0.42 0.00 0.00 0.28 0.05 0.10 0.40 0.00 0.20 0.01 - 17 [ 0.01 .. 0.66]
591-> LYS 27 HB2 - GLU 28 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 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.15 .. 0.15]
592-> LYS 27 HB3 - GLU 28 HN [ 1.80 4.03] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.19 .. 0.19]
599-> LEU 39 HD1* - LYS 40 HN [ 1.80 4.48] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.25 0.00 0.09 0.00 - 4 [ 0.09 .. 0.33]
600-> LYS 40 HN - THR 54 HG2* [ 1.80 4.48] 0.00 0.00 0.00 0.69 0.86 0.85 0.00 0.00 0.98 0.00 0.70 0.00 1.31 0.00 0.64 0.00 0.00 0.00 0.00 0.00 - 7 [ 0.64 .. 1.31]
611-> ILE 16 HD1* - ASN 17 HN [ 1.80 4.74] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 - 1 [ 0.47 .. 0.47]
612-> ILE 16 HG2* - ASN 17 HN [ 1.80 3.99] 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 0.00 0.00 0.19 0.00 0.00 - 2 [ 0.05 .. 0.19]
613-> ILE 16 HB - ASN 17 HN [ 1.80 3.61] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.65 0.19 0.00 0.00 - 3 [ 0.19 .. 0.65]
620-> GLU 71 HN - ILE 93 HG12 [ 1.80 4.63] 0.47 0.23 0.00 0.45 0.00 0.33 0.57 0.11 0.34 0.29 0.60 0.00 0.24 0.18 0.45 0.02 0.00 0.21 0.67 0.26 - 16 [ 0.02 .. 0.67]
624-> ALA 70 HA - ILE 92 HN [ 1.80 5.01] 0.28 0.00 0.15 0.00 0.00 0.00 0.00 0.18 0.00 0.06 0.11 0.00 0.11 0.00 0.11 0.00 0.06 0.00 0.29 0.00 - 9 [ 0.06 .. 0.29]
629-> LEU 42 HB3 - PHE 43 HN [ 1.80 4.15] 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.31 0.28 0.00 0.00 0.00 0.33 0.00 0.33 0.18 0.00 0.18 - 7 [ 0.18 .. 0.33]
631-> VAL 20 HG1* - PHE 43 HN [ 1.80 4.37] 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 0.17 0.00 0.00 - 1 [ 0.17 .. 0.17]
632-> LEU 42 HD2* - PHE 43 HN [ 1.80 4.14] 0.42 0.52 0.00 0.37 0.63 0.41 0.00 0.55 0.63 0.63 0.62 0.45 0.42 0.53 0.74 0.50 0.69 0.40 0.53 0.37 - 18 [ 0.37 .. 0.74]
639-> ARG 31 HN - GLY 37 HN [ 1.80 5.08] 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 0.01 0.10 0.00 0.00 - 2 [ 0.01 .. 0.10]
641-> LEU 97 HN - GLU 98 HN [ 1.80 4.62] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.22 .. 0.22]
645-> TYR 24 HN - LEU 42 HD2* [ 1.80 4.37] 0.57 0.84 0.00 0.89 1.55 0.97 0.00 0.88 0.58 1.51 1.26 1.03 0.46 0.78 1.37 0.94 2.01 1.39 0.86 1.66 - 18 [ 0.46 .. 2.01]
649-> LYS 27 HN - LEU 39 HD1* [ 1.80 5.57] 0.10 0.12 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.20 - 5 [ 0.10 .. 0.22]
656-> ILE 16 HB - ALA 18 HN [ 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 0.39 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 - 2 [ 0.26 .. 0.39]
672-> VAL 76 HG1* - LYS 77 HN [ 1.80 3.72] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.14 .. 0.14]
674-> ARG 52 HN - GLU 84 HA [ 1.80 4.63] 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.83 .. 0.83]
677-> ILE 85 HG12 - SER 86 HN [ 1.80 4.25] 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.00 0.31 1.15 0.00 0.00 0.16 - 5 [ 0.16 .. 1.15]
678-> ILE 85 HG13 - SER 86 HN [ 1.80 4.25] 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.75 0.18 0.00 0.00 0.72 - 5 [ 0.18 .. 0.79]
696-> VAL 64 HG2* - LYS 65 HN [ 1.80 3.69] 0.47 0.46 0.00 0.04 0.34 0.47 0.00 0.48 0.00 0.00 0.00 0.32 0.41 0.41 0.00 0.45 0.38 0.01 0.00 0.00 - 12 [ 0.01 .. 0.48]
699-> LYS 65 HN - ASP 68 HB3 [ 1.80 5.14] 0.04 0.09 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 - 5 [ 0.04 .. 0.63]
702-> LYS 65 HN - ASP 68 HN [ 1.80 5.20] 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.29 0.00 0.10 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 - 4 [ 0.10 .. 0.71]
710-> ASN 57 HB3 - GLU 58 HN [ 1.80 4.03] 0.00 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 - 1 [ 0.12 .. 0.12]
714-> ILE 16 HG12 - VAL 72 HN [ 1.80 5.37] 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 0.73 0.00 0.00 0.00 - 1 [ 0.73 .. 0.73]
716-> ILE 16 HG13 - VAL 72 HN [ 1.80 5.37] 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 0.13 0.00 0.00 - 2 [ 0.13 .. 0.26]
717-> LEU 44 HN - ILE 51 HG2* [ 1.80 4.63] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 - 1 [ 0.69 .. 0.69]
744-> GLN 38 HE21 - ALA 60 HB* [ 1.80 4.43] 1.81 0.93 1.71 0.79 0.00 1.84 1.70 1.21 0.00 0.86 1.64 0.00 1.51 0.00 0.01 1.53 1.74 1.40 0.00 1.29 - 15 [ 0.01 .. 1.84]
745-> GLN 38 HE21 - GLU 58 HA [ 1.80 4.86] 2.81 1.95 2.78 1.74 0.00 3.24 2.44 2.46 0.00 2.88 2.63 1.48 3.24 0.00 0.00 4.84 3.83 2.51 1.08 2.82 - 16 [ 1.08 .. 4.84]
751-> SER 73 HN - ILE 85 HD1* [ 1.80 5.97] 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 0.00 0.24 2.40 0.00 0.00 0.37 - 5 [ 0.18 .. 2.40]
753-> GLY 79 HN - LEU 83 HN [ 1.80 5.37] 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 0.41 0.00 0.00 0.00 - 1 [ 0.41 .. 0.41]
758-> ARG 31 HN - GLY 34 HN [ 1.80 5.29] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.94 .. 0.94]
759-> ASN 17 HD22 - VAL 72 HN [ 1.80 6.05] 1.37 1.29 0.43 2.04 0.17 1.48 1.26 0.32 1.57 1.44 1.55 1.85 1.90 0.42 1.44 0.35 2.11 1.66 1.96 1.66 - 20 [ 0.17 .. 2.11]
762-> ALA 22 HN - PHE 43 HB2 [ 1.80 4.21] 0.29 0.19 0.08 0.07 0.00 0.17 0.20 0.19 0.18 0.35 0.05 0.00 0.34 0.31 0.16 0.03 0.00 0.00 0.14 0.15 - 16 [ 0.03 .. 0.35]
763-> GLY 79 HN - GLU 84 HN [ 1.80 4.74] 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 0.18 0.20 0.00 0.00 0.00 0.00 - 3 [ 0.11 .. 0.20]
770-> MET 9 HE* - LEU 12 HD1* [ 1.80 4.59] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.12 .. 1.31]
771-> MET 9 HE* - LEU 12 HD2* [ 1.80 4.71] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.44 .. 0.44]
772-> LEU 8 HA - MET 9 HE* [ 1.80 5.01] 1.29 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 1.33 0.00 1.21 0.00 0.00 1.24 0.00 1.33 0.00 0.00 0.00 - 6 [ 1.21 .. 1.40]
797-> ILE 51 HA - ILE 51 HD1* [ 1.80 4.02] 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 0.17 0.00 0.00 0.00 - 1 [ 0.17 .. 0.17]
805-> LYS 4 HA - LYS 4 HD3 [ 1.80 4.22] 0.20 0.17 0.10 0.12 0.17 0.17 0.20 0.00 0.18 0.15 0.13 0.10 0.14 0.15 0.18 0.09 0.09 0.11 0.18 0.08 - 19 [ 0.08 .. 0.20]
810-> VAL 64 HA - ILE 92 HD1* [ 1.80 4.37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.34 .. 0.37]
815-> ILE 5 HG2* - ILE 51 HB [ 1.80 4.03] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 - 1 [ 0.33 .. 0.33]
890-> PRO 10 HG3 - LEU 83 HD2* [ 1.80 3.87] 2.98 2.74 0.00 0.00 0.00 0.26 2.83 0.39 3.13 4.26 3.23 1.15 2.73 1.47 3.31 0.00 1.05 0.00 2.42 0.00 - 14 [ 0.26 .. 4.26]
925-> GLU 19 HB* - ILE 69 HD1* [ 1.80 3.76] 0.67 0.00 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 1.68 0.00 0.00 - 4 [ 0.21 .. 1.68]
931-> ILE 85 HG2* - ILE 85 HD1* [ 1.80 2.94] 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 0.22 0.00 0.00 0.00 - 1 [ 0.22 .. 0.22]
952-> TYR 3 HN - ILE 16 HG2* [ 1.80 4.74] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 - 2 [ 0.32 .. 0.68]
1007-> LEU 42 HA - LEU 42 HD2* [ 1.80 3.83] 0.00 0.22 0.00 0.22 0.04 0.22 0.00 0.23 0.22 0.05 0.03 0.22 0.00 0.22 0.04 0.21 0.05 0.05 0.21 0.06 - 16 [ 0.03 .. 0.23]
1010-> LEU 83 HA - LEU 83 HD2* [ 1.80 3.76] 0.12 0.11 0.00 0.00 0.00 0.00 0.13 0.00 0.12 0.12 0.12 0.10 0.11 0.00 0.12 0.00 0.00 0.00 0.00 0.00 - 9 [ 0.10 .. 0.13]
1019-> GLU 19 HA - ILE 69 HD1* [ 1.80 4.05] 1.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 1.40 0.00 0.00 - 4 [ 0.75 .. 1.40]
1020-> ILE 69 HD1* - ALA 70 HN [ 1.80 4.85] 0.36 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.49 0.00 0.00 - 4 [ 0.29 .. 0.49]
1021-> VAL 20 HN - ILE 69 HD1* [ 1.80 4.84] 1.46 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 1.76 0.00 0.00 - 4 [ 1.39 .. 1.76]
1022-> GLU 19 HN - ILE 69 HD1* [ 1.80 5.22] 0.87 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 1.44 0.00 0.00 - 4 [ 0.06 .. 1.44]
1023-> ILE 90 HD1* - ILE 92 HD1* [ 1.80 5.01] 0.52 0.00 1.03 0.00 0.00 0.00 0.19 0.83 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.41 0.00 - 6 [ 0.19 .. 1.03]
1024-> ASP 68 HB2 - ILE 92 HD1* [ 1.80 4.76] 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.47 .. 0.54]
1025-> ASP 68 HB3 - ILE 92 HD1* [ 1.80 4.76] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.56 .. 0.56]
1027-> ASP 68 HN - ILE 92 HD1* [ 1.80 6.05] 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.77 .. 1.17]
1032-> GLY 74 HA3 - ILE 85 HD1* [ 1.80 5.06] 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.37 - 4 [ 0.36 .. 1.64]
1033-> GLY 14 HN - ILE 85 HD1* [ 1.80 6.05] 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.25 1.97 0.00 0.00 0.89 - 5 [ 0.25 .. 1.97]
1034-> VAL 76 HN - ILE 85 HD1* [ 1.80 6.05] 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 0.07 0.00 0.00 0.05 - 3 [ 0.05 .. 0.50]
1039-> ILE 16 HD1* - VAL 72 HN [ 1.80 5.10] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.14 .. 0.14]
1040-> LEU 44 HB3 - ILE 51 HG2* [ 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 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 - 1 [ 0.94 .. 0.94]
1041-> LEU 44 HB2 - ILE 51 HG2* [ 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 0.38 0.00 0.00 0.00 - 1 [ 0.38 .. 0.38]
1042-> ILE 51 HG2* - GLY 53 HN [ 1.80 5.44] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 - 1 [ 0.80 .. 0.80]
1044-> GLY 53 HA3 - ILE 85 HG2* [ 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 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.32 .. 0.32]
1046-> GLU 84 HA - ILE 85 HG2* [ 1.80 5.07] 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.38 0.37 0.00 0.00 0.39 - 5 [ 0.37 .. 0.46]
1052-> ILE 51 HD1* - LEU 83 HB3 [ 1.80 4.46] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 0.00 - 1 [ 0.18 .. 0.18]
1053-> ILE 51 HD1* - LEU 83 HB2 [ 1.80 4.08] 0.69 0.64 0.00 0.00 0.00 0.00 0.79 0.00 0.81 0.82 0.76 0.77 0.65 0.00 0.72 0.00 0.00 0.00 0.00 0.00 - 9 [ 0.64 .. 0.82]
1054-> ILE 51 HD1* - GLU 84 HA [ 1.80 4.76] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 - 1 [ 1.02 .. 1.02]
1055-> ILE 51 HD1* - GLU 84 HN [ 1.80 5.30] 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 0.00 0.00 0.00 1.09 0.00 0.00 0.00 - 1 [ 1.09 .. 1.09]
1066-> ILE 5 HA - ILE 16 HG2* [ 1.80 5.07] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.40 .. 0.40]
1067-> TYR 3 HB2 - ILE 16 HG2* [ 1.80 5.14] 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 0.00 - 1 [ 0.23 .. 0.23]
1073-> LYS 40 HE3 - VAL 64 HG1* [ 1.80 4.74] 0.00 0.67 0.61 1.70 0.00 0.82 1.73 0.53 0.00 0.00 0.00 0.84 0.45 0.64 0.00 0.91 1.27 2.89 0.00 0.00 - 12 [ 0.45 .. 2.89]
1076-> VAL 20 HG2* - LEU 42 HB3 [ 1.80 5.28] 0.00 0.00 0.00 0.25 0.36 0.01 0.00 0.00 0.00 0.46 0.32 0.25 0.00 0.00 0.31 0.00 0.60 0.02 0.00 0.39 - 11 [ 0.00 .. 0.60]
1085-> ALA 23 HB* - LEU 42 HD2* [ 1.80 3.60] 1.35 0.51 0.00 0.41 0.76 0.61 0.00 0.67 0.67 0.48 0.59 0.42 0.88 0.62 0.43 0.75 0.58 0.43 0.55 0.60 - 18 [ 0.41 .. 1.35]
1086-> ALA 23 HB* - LYS 65 HA [ 1.80 4.46] 0.25 0.00 0.00 0.00 0.31 0.00 0.20 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 - 5 [ 0.14 .. 1.36]
1098-> VAL 21 HG2* - LYS 45 HG2 [ 1.80 3.86] 0.10 0.16 0.21 0.27 0.12 0.21 0.05 0.09 0.15 0.04 0.20 0.33 0.14 0.16 0.16 0.14 0.22 0.29 0.01 0.17 - 20 [ 0.01 .. 0.33]
1102-> VAL 21 HG2* - LYS 45 HE* [ 1.80 4.42] 0.14 0.17 0.23 0.32 0.18 0.30 0.10 0.06 0.09 0.06 0.20 0.24 0.06 0.20 0.16 0.11 0.13 0.25 0.00 0.12 - 19 [ 0.06 .. 0.32]
1104-> VAL 21 HG2* - PHE 43 HA [ 1.80 5.65] 0.17 0.06 0.09 0.00 0.00 0.01 0.17 0.06 0.00 0.07 0.00 0.00 0.00 0.12 0.00 0.04 0.00 0.00 0.30 0.08 - 11 [ 0.01 .. 0.30]
1108-> VAL 21 HG1* - LYS 45 HG2 [ 1.80 4.39] 1.39 1.52 1.65 1.59 1.47 1.54 1.35 1.50 1.60 1.41 1.58 1.78 1.62 1.51 1.51 1.59 1.67 1.61 1.37 1.60 - 20 [ 1.35 .. 1.78]
1111-> VAL 21 HG1* - LYS 45 HE* [ 1.80 5.18] 0.33 0.46 0.62 0.57 0.47 0.56 0.27 0.38 0.47 0.33 0.50 0.64 0.48 0.47 0.43 0.49 0.53 0.49 0.22 0.49 - 20 [ 0.22 .. 0.64]
1113-> VAL 20 HG1* - ALA 23 HB* [ 1.80 3.65] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 - 1 [ 0.33 .. 0.33]
1114-> VAL 20 HG1* - LEU 42 HB3 [ 1.80 5.10] 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.52 0.40 0.00 0.00 0.00 0.37 0.00 0.62 0.20 0.00 0.50 - 7 [ 0.20 .. 0.62]
1123-> ALA 70 HB* - ILE 90 HG12 [ 1.80 3.99] 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.00 0.01 0.27 0.00 0.00 0.00 0.00 0.08 0.02 0.17 0.00 - 6 [ 0.01 .. 0.27]
1125-> VAL 20 HG2* - VAL 64 HG2* [ 1.80 3.10] 0.80 0.88 0.00 0.00 0.64 0.66 0.00 0.50 0.00 0.00 0.00 0.95 0.64 0.71 0.00 0.65 0.74 0.01 0.00 0.00 - 11 [ 0.01 .. 0.95]
1126-> VAL 64 HG2* - ILE 92 HG12 [ 1.80 6.05] 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 0.02 0.00 0.00 - 2 [ 0.02 .. 0.47]
1127-> VAL 64 HG2* - ILE 92 HG13 [ 1.80 6.05] 0.06 0.00 0.00 0.27 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 - 3 [ 0.06 .. 0.27]
1128-> VAL 64 HG2* - ASP 68 HB2 [ 1.80 4.79] 1.93 1.70 0.00 0.05 1.82 1.02 0.00 0.54 0.00 0.02 0.00 2.11 1.32 1.30 0.00 1.00 1.88 0.22 0.00 0.00 - 13 [ 0.02 .. 2.11]
1131-> VAL 64 HG2* - ASP 68 HN [ 1.80 5.15] 2.67 2.56 0.00 0.75 2.43 2.23 0.64 1.91 0.00 0.00 0.00 2.77 1.96 2.42 0.00 2.15 2.50 0.82 0.00 0.00 - 13 [ 0.64 .. 2.77]
1136-> SER 6 HB2 - THR 48 HG2* [ 1.80 5.65] 0.00 0.00 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.18 .. 0.74]
1142-> ALA 22 HB* - TYR 24 HE* [ 1.80 4.25] 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.17 0.00 0.00 0.00 0.00 2.66 0.76 0.00 0.00 - 4 [ 0.76 .. 3.34]
1145-> VAL 76 HG2* - ILE 85 HB [ 1.80 4.07] 0.00 0.00 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.47 - 4 [ 0.20 .. 0.51]
1146-> LEU 39 HG - THR 54 HG2* [ 1.80 4.53] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.65 .. 0.65]
1148-> PRO 10 HD2 - LEU 83 HD2* [ 1.80 4.79] 2.47 2.19 0.00 0.00 0.00 0.00 2.47 0.59 2.67 2.31 2.94 1.75 2.69 1.66 2.75 0.00 0.00 0.00 2.36 0.00 - 12 [ 0.59 .. 2.94]
1149-> PRO 10 HD3 - LEU 83 HD2* [ 1.80 4.79] 1.17 0.88 0.00 0.00 0.00 0.00 1.13 0.00 1.33 1.43 1.60 0.28 1.36 0.35 1.45 0.00 0.00 0.00 0.91 0.00 - 11 [ 0.28 .. 1.60]
1150-> GLN 78 HA - LEU 83 HD2* [ 1.80 3.95] 1.59 1.98 0.00 0.00 0.00 0.00 1.45 0.00 1.97 2.14 1.51 1.15 1.64 0.00 1.74 0.00 0.00 0.00 0.21 0.00 - 10 [ 0.21 .. 2.14]
1151-> GLN 78 HN - LEU 83 HD2* [ 1.80 4.84] 1.60 1.98 0.00 0.00 0.00 0.00 1.47 0.00 2.00 2.60 1.85 0.74 1.81 0.00 1.97 0.00 0.00 0.00 1.38 0.00 - 10 [ 0.74 .. 2.60]
1152-> TYR 75 HA - VAL 76 HG2* [ 1.80 4.99] 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.52 .. 0.52]
1156-> VAL 76 HG1* - GLU 84 HN [ 1.80 6.02] 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 0.00 - 1 [ 0.23 .. 0.23]
1162-> GLU 58 HG* - LEU 59 HD2* [ 1.80 4.93] 0.97 0.85 1.00 0.76 0.94 0.88 0.98 0.93 0.74 0.70 0.00 0.83 0.72 0.85 0.97 0.00 0.00 0.58 0.94 0.51 - 17 [ 0.51 .. 1.00]
1163-> ALA 23 HA - LEU 42 HD2* [ 1.80 3.77] 1.16 0.98 0.00 1.05 1.19 1.16 0.00 1.01 0.82 1.21 0.94 0.49 0.90 0.93 0.92 1.20 1.20 0.83 1.10 1.50 - 18 [ 0.49 .. 1.50]
1165-> LEU 59 HD2* - PHE 62 HD* [ 1.80 4.66] 0.22 0.00 0.31 0.00 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 0.19 0.00 - 4 [ 0.12 .. 0.31]
1173-> PHE 43 HN - LEU 44 HD2* [ 1.80 5.25] 0.00 0.00 0.62 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 0.00 0.00 0.00 0.00 - 1 [ 0.62 .. 0.62]
1176-> LYS 27 HB2 - LEU 39 HD1* [ 1.80 4.68] 0.00 0.42 0.58 1.08 0.85 1.06 0.77 0.12 0.96 0.00 0.96 2.04 1.58 0.00 1.21 0.00 0.52 0.46 0.24 0.00 - 16 [ 0.00 .. 2.04]
1177-> LYS 27 HD* - LEU 39 HD1* [ 1.80 4.37] 0.08 1.01 3.06 1.94 1.85 2.04 1.55 0.98 1.70 0.00 1.75 1.45 2.65 0.53 2.09 0.00 3.01 1.21 1.00 0.32 - 18 [ 0.08 .. 3.06]
1178-> LEU 39 HD1* - THR 54 HB [ 1.80 5.07] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 - 2 [ 0.01 .. 1.21]
1179-> LYS 27 HE* - LEU 39 HD1* [ 1.80 5.16] 0.87 1.62 2.74 2.23 2.23 2.52 1.96 1.77 1.95 0.00 2.15 2.03 2.87 1.25 2.39 0.40 2.90 1.82 1.85 1.18 - 19 [ 0.40 .. 2.90]
1180-> LEU 39 HD1* - LYS 40 HA [ 1.80 4.52] 0.77 0.90 0.97 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.21 0.00 0.95 0.73 - 8 [ 0.73 .. 1.21]
1181-> LEU 39 HD1* - SER 41 HN [ 1.80 4.65] 0.76 0.90 0.97 0.00 0.14 0.00 0.29 1.33 0.00 0.00 0.15 0.31 0.00 1.14 0.00 0.00 1.38 0.33 0.89 0.58 - 13 [ 0.14 .. 1.38]
1183-> LEU 8 HA - LEU 12 HD1* [ 1.80 4.73] 0.00 0.02 0.21 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.15 0.19 0.01 0.00 0.04 0.00 0.00 0.00 0.21 - 8 [ 0.01 .. 0.21]
1185-> LEU 55 HD2* - LEU 59 HG [ 1.80 4.64] 0.02 0.00 0.10 0.00 0.28 0.00 0.02 0.04 0.00 0.00 0.02 0.00 0.00 0.08 0.00 0.00 0.00 0.20 0.07 0.07 - 10 [ 0.02 .. 0.28]
1190-> PRO 10 HD2 - LEU 83 HD1* [ 1.80 5.22] 0.27 0.00 0.00 0.00 0.00 0.00 0.35 1.33 0.40 0.18 0.64 0.09 0.57 3.22 0.49 0.00 0.22 0.00 0.09 0.06 - 13 [ 0.06 .. 3.22]
1191-> PRO 10 HD3 - LEU 83 HD1* [ 1.80 5.22] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.06 .. 1.90]
1192-> MET 9 HA - LEU 83 HD1* [ 1.80 4.62] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.58 .. 1.58]
1193-> LEU 55 HD1* - VAL 87 HB [ 1.80 4.92] 0.05 0.05 0.08 0.05 0.02 0.12 0.09 0.07 0.05 0.00 0.09 0.03 0.06 0.06 0.15 0.00 0.04 0.00 0.05 0.00 - 17 [ 0.00 .. 0.15]
1199-> LEU 42 HD1* - LEU 55 HB2 [ 1.80 4.19] 1.72 2.12 0.56 2.05 2.12 2.15 0.68 2.07 2.12 2.55 2.22 2.14 1.42 2.10 2.05 2.11 2.20 2.45 2.49 2.30 - 20 [ 0.56 .. 2.55]
1201-> LYS 27 HB3 - LEU 39 HD2* [ 1.80 5.01] 0.00 0.04 0.17 0.44 0.00 0.21 0.00 0.32 0.33 0.00 0.24 0.00 1.05 0.00 0.54 0.89 0.48 0.00 0.00 0.00 - 11 [ 0.04 .. 1.05]
1205-> ALA 70 HA - ILE 93 HG12 [ 1.80 5.31] 0.76 0.10 0.00 0.52 0.00 0.86 0.47 0.05 0.44 0.47 1.01 0.00 0.12 0.63 0.77 0.06 0.00 0.55 0.96 0.24 - 16 [ 0.05 .. 1.01]
1207-> LYS 4 HA - LYS 4 HD2 [ 1.80 4.22] 0.47 0.44 0.45 0.47 0.45 0.43 0.46 0.00 0.45 0.45 0.46 0.44 0.46 0.46 0.45 0.46 0.46 0.46 0.44 0.47 - 19 [ 0.43 .. 0.47]
1208-> PRO 10 HG2 - LEU 83 HD2* [ 1.80 5.25] 2.73 2.47 0.00 0.00 0.00 0.00 2.63 0.31 2.88 3.37 3.06 1.09 2.65 1.43 3.03 0.00 0.37 0.00 2.26 0.00 - 13 [ 0.31 .. 3.37]
1220-> PRO 10 HB2 - LYS 77 HA [ 1.80 5.01] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 - 1 [ 0.76 .. 0.76]
1227-> GLN 78 HG2 - LEU 83 HD2* [ 1.80 5.10] 0.00 3.07 0.00 0.00 0.27 0.00 0.00 0.00 2.83 2.97 0.51 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 - 7 [ 0.27 .. 3.07]
1228-> GLN 78 HG3 - LEU 83 HD2* [ 1.80 5.10] 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.61 0.00 0.02 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.02 .. 1.71]
1229-> PHE 62 HE* - VAL 64 HB [ 1.80 4.60] 0.23 0.99 0.00 0.00 0.72 0.68 0.03 0.60 0.00 0.00 0.00 0.60 0.68 0.70 0.00 1.01 0.56 0.07 0.00 0.00 - 12 [ 0.03 .. 1.01]
1235-> ILE 16 HG12 - VAL 72 HB [ 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 0.04 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 - 2 [ 0.04 .. 1.02]
1236-> ILE 16 HG13 - VAL 72 HB [ 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 1.42 0.00 0.00 0.00 0.00 0.13 1.03 0.00 0.00 - 3 [ 0.13 .. 1.42]
1238-> LYS 27 HB3 - LEU 39 HD1* [ 1.80 5.84] 0.00 0.46 0.60 1.28 1.00 1.12 0.93 0.05 1.19 0.00 1.12 0.00 1.73 0.00 1.40 0.00 0.48 0.50 0.00 0.00 - 14 [ 0.00 .. 1.73]
1240-> ILE 69 HG2* - GLU 94 HG* [ 1.80 5.54] 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.14 .. 0.14]
1241-> GLU 58 HG* - LEU 59 HG [ 1.80 5.02] 0.59 0.47 0.60 0.53 0.79 0.56 0.55 0.51 0.48 0.46 0.00 0.52 0.44 0.49 0.60 0.00 0.00 0.37 0.56 0.35 - 17 [ 0.35 .. 0.79]
1250-> VAL 64 HG2* - ASP 68 HB3 [ 1.80 4.79] 2.92 2.68 0.00 1.23 2.95 1.85 1.12 1.21 0.00 0.00 0.00 3.12 0.85 2.12 0.00 1.87 3.02 1.44 0.00 0.00 - 13 [ 0.85 .. 3.12]
1252-> ASP 68 HB2 - ILE 92 HG2* [ 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 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.24 .. 0.24]
1254-> VAL 21 HB - PHE 43 HB2 [ 1.80 4.89] 0.12 0.00 0.13 0.00 0.00 0.00 0.07 0.00 0.00 0.04 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.14 0.07 - 7 [ 0.03 .. 0.14]
1255-> VAL 21 HG2* - PHE 43 HB2 [ 1.80 5.10] 0.91 0.82 0.95 0.70 0.46 0.85 0.92 0.79 0.60 0.84 0.65 0.00 0.59 0.88 0.61 0.86 0.00 0.34 0.99 0.92 - 18 [ 0.34 .. 0.99]
1256-> ILE 92 HG2* - LYS 95 HE* [ 1.80 4.68] 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.09 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.09 .. 0.27]
1257-> LYS 27 HE* - LEU 39 HD2* [ 1.80 4.75] 0.00 0.23 1.35 1.19 1.17 1.64 0.69 0.83 0.94 0.75 1.11 0.49 2.11 0.03 1.32 2.70 1.80 0.61 0.59 0.00 - 18 [ 0.03 .. 2.70]
1261-> VAL 76 HA - ILE 85 HB [ 1.80 5.28] 0.00 0.00 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 - 2 [ 0.07 .. 0.16]
1265-> LEU 39 HB2 - THR 54 HG2* [ 1.80 4.93] 0.00 0.00 0.00 0.70 0.82 0.71 0.00 0.00 0.68 0.00 0.73 0.00 0.42 0.00 0.78 0.00 0.00 0.00 0.00 0.00 - 7 [ 0.42 .. 0.82]
1266-> LEU 39 HB3 - THR 54 HG2* [ 1.80 5.82] 0.00 0.00 0.00 0.22 0.18 0.17 0.00 0.00 0.20 0.00 0.21 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 - 6 [ 0.17 .. 0.27]
1300-> THR 15 HA - ILE 16 HG2* [ 1.80 5.08] 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 0.39 0.00 0.00 0.00 - 1 [ 0.39 .. 0.39]
1309-> SER 6 HB2 - THR 48 HB [ 1.80 4.68] 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.01 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.01 .. 0.84]
1318-> PHE 43 HE* - SER 50 HB* [ 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 1.20 0.00 0.00 0.00 0.00 2.51 0.00 0.00 0.00 - 2 [ 1.20 .. 2.51]
1323-> PRO 10 HA - VAL 76 HG1* [ 1.80 4.03] 0.20 0.02 0.00 0.00 0.00 0.00 0.06 0.01 0.17 0.00 0.00 0.00 0.00 0.22 0.30 0.00 0.00 0.00 0.00 0.00 - 7 [ 0.01 .. 0.30]
1324-> TYR 75 HB3 - SER 86 HB2 [ 1.80 5.38] 0.00 0.00 0.00 0.18 0.00 0.00 0.00 0.12 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.11 - 5 [ 0.11 .. 0.32]
1328-> SER 96 HA - LEU 97 HG [ 1.80 4.72] 1.83 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.69 0.00 0.00 2.04 0.00 0.00 0.69 0.00 0.00 0.00 1.77 0.00 - 6 [ 0.69 .. 2.04]
1331-> ALA 23 HB* - LYS 66 HA [ 1.80 5.42] 0.01 0.00 0.00 0.14 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 1.22 0.00 0.00 - 4 [ 0.01 .. 1.22]
1332-> GLU 63 HA - VAL 64 HG1* [ 1.80 4.82] 0.72 0.65 0.00 0.00 0.70 0.64 0.00 0.68 0.00 0.00 0.00 0.63 0.65 0.67 0.00 0.64 0.65 0.00 0.00 0.00 - 10 [ 0.63 .. 0.72]
1337-> LEU 59 HD1* - PHE 62 HD* [ 1.80 6.05] 0.42 0.13 0.52 0.00 0.00 0.04 0.33 0.36 0.00 0.00 0.18 0.15 0.00 0.22 0.19 0.00 0.37 0.08 0.32 0.00 - 13 [ 0.04 .. 0.52]
1341-> VAL 64 HG2* - ILE 92 HD1* [ 1.80 3.47] 1.66 0.00 0.00 0.89 0.00 0.37 0.81 1.57 0.00 0.00 0.00 0.00 1.83 0.42 0.00 0.00 0.00 0.81 0.56 0.00 - 9 [ 0.37 .. 1.83]
1343-> TYR 3 HB3 - ILE 16 HG2* [ 1.80 5.14] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 - 2 [ 0.68 .. 1.24]
1344-> ALA 70 HB* - ILE 90 HG2* [ 1.80 5.27] 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.11 0.00 0.08 0.00 - 4 [ 0.08 .. 0.22]
1345-> VAL 64 HG2* - ILE 90 HG2* [ 1.80 5.98] 0.00 0.00 0.15 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.14 .. 0.15]
1348-> LYS 27 HG* - LEU 39 HD1* [ 1.80 5.21] 0.40 0.94 0.87 1.26 1.14 1.51 1.05 0.87 1.10 0.00 1.25 1.38 1.70 0.61 1.40 0.00 0.98 1.02 1.05 0.62 - 18 [ 0.40 .. 1.70]
1351-> LYS 27 HD* - LEU 39 HD2* [ 1.80 4.88] 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 1.02 1.37 0.00 0.00 0.00 - 4 [ 0.55 .. 1.37]
1353-> LYS 40 HD3 - LEU 42 HD2* [ 1.80 5.32] 0.20 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.18 1.98 0.00 0.00 0.00 0.10 0.00 0.38 0.68 0.00 0.33 - 8 [ 0.10 .. 1.98]
1354-> LYS 40 HD2 - LEU 42 HD2* [ 1.80 5.32] 1.44 0.59 0.00 0.77 1.22 0.85 0.00 0.47 0.76 1.56 1.50 0.44 0.66 0.54 1.53 0.87 1.79 2.12 0.66 1.72 - 18 [ 0.44 .. 2.12]
1357-> VAL 64 HB - ILE 90 HD1* [ 1.80 5.28] 0.53 0.03 0.00 0.00 0.00 0.24 0.26 0.33 0.00 0.00 0.00 0.00 0.49 0.05 0.00 0.12 0.00 0.00 0.00 0.00 - 8 [ 0.03 .. 0.53]
1359-> LYS 27 HB3 - GLU 28 HG2 [ 1.80 6.05] 0.06 0.08 0.00 0.08 0.00 0.00 0.07 0.00 0.27 0.00 0.02 0.58 0.46 0.31 0.19 0.08 0.00 0.00 0.00 0.54 - 12 [ 0.02 .. 0.58]
1360-> LYS 27 HB3 - GLU 28 HG3 [ 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 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.65 - 2 [ 0.65 .. 0.74]
1361-> LYS 40 HE2 - VAL 64 HG1* [ 1.80 4.74] 0.66 0.00 0.00 0.26 1.07 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 1.45 0.00 0.00 - 6 [ 0.02 .. 1.45]
1364-> LEU 39 HA - THR 54 HG2* [ 1.80 5.31] 0.00 0.00 0.00 0.40 0.38 0.48 0.00 0.00 0.45 0.00 0.51 0.00 0.59 0.00 0.40 0.00 0.00 0.00 0.00 0.00 - 7 [ 0.38 .. 0.59]
1365-> LEU 39 HD1* - SER 41 HA [ 1.80 5.36] 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 0.25 0.00 0.61 0.00 - 6 [ 0.00 .. 0.61]
1366-> VAL 64 HA - ILE 90 HD1* [ 1.80 5.69] 0.00 0.00 1.06 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 - 4 [ 0.01 .. 1.06]
1369-> LEU 39 HD1* - TRP 56 HZ2 [ 1.80 5.51] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.00 - 2 [ 0.12 .. 1.23]
1370-> LEU 39 HD1* - TRP 56 HH2 [ 1.80 5.36] 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.58 .. 0.58]
1375-> LEU 8 HD2* - ILE 16 HG2* [ 1.80 3.84] 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 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.22 .. 0.22]
1383-> MET 9 HG2 - LEU 12 HD1* [ 1.80 4.75] 0.00 0.00 1.43 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.11 0.86 0.73 0.00 0.98 0.00 0.90 0.89 1.45 - 9 [ 0.11 .. 1.45]
1384-> MET 9 HG3 - LEU 12 HD1* [ 1.80 4.75] 0.00 0.00 0.37 0.00 0.00 0.01 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 0.39 - 4 [ 0.01 .. 0.39]
1394-> LYS 65 HN - ILE 92 HD1* [ 1.80 4.72] 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.03 .. 0.27]
1395-> TYR 75 HE* - LYS 77 HD* [ 1.80 5.24] 2.13 0.00 0.00 2.41 0.00 1.95 2.46 2.59 1.89 2.01 2.63 2.28 2.33 3.45 0.00 0.00 0.00 2.58 3.06 1.86 - 14 [ 1.86 .. 3.45]
1400-> VAL 21 HG2* - PHE 43 HB3 [ 1.80 4.30] 0.58 0.38 0.45 0.20 0.17 0.37 0.59 0.33 0.17 0.52 0.18 0.00 0.14 0.52 0.16 0.37 0.00 0.00 0.63 0.59 - 17 [ 0.14 .. 0.63]
1401-> VAL 21 HG1* - PHE 43 HB2 [ 1.80 5.17] 0.19 0.00 0.27 0.00 0.00 0.01 0.05 0.00 0.00 0.07 0.00 0.00 0.02 0.02 0.00 0.00 0.00 0.00 0.16 0.10 - 9 [ 0.01 .. 0.27]
1403-> THR 54 HG2* - TRP 56 HD1 [ 1.80 4.65] 0.00 0.00 0.00 0.88 0.44 0.95 0.00 0.00 0.89 0.00 1.03 0.00 0.95 0.00 0.99 0.00 0.00 0.00 0.00 0.00 - 7 [ 0.44 .. 1.03]
1406-> LEU 39 HD2* - TRP 56 HH2 [ 1.80 4.31] 1.21 1.34 1.30 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.84 0.00 0.94 1.45 - 8 [ 0.67 .. 1.45]
1407-> PHE 29 HE* - TRP 56 HZ3 [ 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 0.18 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.18 .. 1.10]
1408-> LEU 39 HD2* - TRP 56 HZ3 [ 1.80 4.16] 1.18 1.36 1.34 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.77 0.00 1.12 1.32 - 8 [ 0.77 .. 1.36]
1409-> LEU 39 HB3 - TRP 56 HZ3 [ 1.80 4.98] 0.07 0.20 0.50 0.00 0.10 0.00 0.30 0.31 0.00 0.00 0.00 0.56 0.00 0.24 0.00 0.00 0.03 0.63 0.48 0.34 - 12 [ 0.03 .. 0.63]
1412-> PHE 29 HD* - TRP 56 HE3 [ 1.80 5.13] 0.54 0.91 0.00 0.71 0.00 0.00 0.65 0.00 0.70 0.16 0.67 1.98 0.25 0.24 0.52 0.00 0.00 0.00 0.00 0.00 - 11 [ 0.16 .. 1.98]
1413-> PHE 29 HE* - TRP 56 HE3 [ 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 0.41 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.41 .. 2.11]
1414-> LEU 39 HB3 - TRP 56 HE3 [ 1.80 5.07] 0.41 0.47 0.75 0.09 0.20 0.09 0.63 0.61 0.05 0.00 0.23 0.70 0.00 0.61 0.32 0.00 0.55 0.83 0.74 0.55 - 17 [ 0.05 .. 0.83]
1415-> LEU 39 HD2* - TRP 56 HE3 [ 1.80 5.28] 0.53 0.62 0.63 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.19 0.00 0.46 0.67 - 8 [ 0.17 .. 0.67]
1423-> TYR 3 HD* - GLY 14 HA2 [ 1.80 4.54] 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 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.47 .. 0.47]
1432-> ALA 22 HB* - TYR 24 HD* [ 1.80 4.70] 0.05 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.42 0.58 0.09 0.00 - 6 [ 0.05 .. 1.11]
1434-> TYR 24 HE* - PHE 43 HB2 [ 1.80 4.66] 0.00 0.00 4.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.97 0.00 0.00 0.00 0.00 5.17 0.00 0.00 0.00 - 3 [ 4.81 .. 5.97]
1435-> TYR 80 HD* - SER 81 HA [ 1.80 4.72] 0.22 1.05 0.13 0.44 0.28 0.12 0.60 1.47 1.25 1.43 0.00 1.22 1.09 0.50 1.24 0.00 1.16 0.14 1.10 1.26 - 18 [ 0.12 .. 1.47]
1436-> TYR 80 HD* - SER 81 HB* [ 1.80 4.50] 0.00 1.01 0.00 0.00 0.00 0.00 0.00 1.03 1.43 1.23 0.00 1.44 0.96 0.00 1.31 0.00 0.60 0.00 0.85 1.22 - 10 [ 0.60 .. 1.44]
1441-> PHE 29 HD* - LEU 39 HD2* [ 1.80 3.94] 1.02 1.06 0.51 0.34 0.00 0.00 0.00 0.86 0.38 0.00 0.15 0.83 0.00 0.94 0.27 0.00 0.70 0.00 0.44 0.35 - 13 [ 0.15 .. 1.06]
1442-> PHE 29 HE* - LEU 39 HD2* [ 1.80 4.71] 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.89 0.00 0.23 0.07 - 6 [ 0.07 .. 0.89]
1443-> PHE 62 HD* - VAL 64 HB [ 1.80 4.27] 0.20 0.47 0.00 1.10 0.39 0.41 1.36 0.40 0.00 0.00 0.00 0.55 0.46 0.43 0.00 0.42 0.38 0.74 0.00 0.00 - 13 [ 0.20 .. 1.36]
1444-> PHE 62 HD* - VAL 64 HG1* [ 1.80 3.92] 0.31 0.44 0.00 0.00 0.49 0.42 0.00 0.42 0.00 0.00 0.00 0.51 0.36 0.40 0.00 0.49 0.39 0.00 0.00 0.00 - 10 [ 0.31 .. 0.51]
1451-> PHE 43 HD* - LYS 45 HB3 [ 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 1.82 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.03 - 3 [ 0.03 .. 1.82]
1454-> VAL 21 HG1* - PHE 43 HD* [ 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 0.13 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 - 2 [ 0.13 .. 0.24]
1455-> VAL 21 HG2* - PHE 43 HE* [ 1.80 4.94] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 - 2 [ 1.88 .. 1.88]
1456-> VAL 21 HG1* - PHE 43 HE* [ 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 0.89 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 - 2 [ 0.89 .. 0.96]
1457-> VAL 21 HG2* - PHE 43 HD* [ 1.80 4.33] 0.00 0.00 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 0.00 0.77 0.00 0.00 0.00 - 2 [ 0.77 .. 0.80]
1460-> PHE 43 HZ - SER 50 HB* [ 1.80 4.42] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.73 0.00 0.00 0.00 0.00 5.24 0.00 0.00 0.00 - 2 [ 3.73 .. 5.24]
1479-> ASN 11 HN - TYR 75 HE* [ 1.80 4.77] 3.50 0.00 0.00 3.38 0.00 3.46 3.58 3.49 3.43 3.50 3.58 3.59 3.22 3.43 0.00 0.00 0.00 3.64 3.34 3.26 - 14 [ 3.22 .. 3.64]
1480-> TYR 75 HE* - VAL 76 HA [ 1.80 5.89] 2.31 0.09 0.00 2.30 0.00 2.31 2.37 2.28 2.29 2.36 2.32 2.31 2.30 2.31 0.00 0.13 0.00 2.29 2.31 2.23 - 16 [ 0.09 .. 2.37]
1481-> ASN 11 HA - TYR 75 HE* [ 1.80 4.06] 2.31 0.00 0.00 2.25 0.00 2.23 2.33 2.19 2.15 2.31 2.32 2.42 1.90 2.12 0.00 0.00 0.00 2.56 2.06 2.15 - 14 [ 1.90 .. 2.56]
1482-> TYR 75 HE* - LYS 77 HE* [ 1.80 5.02] 2.93 0.00 0.00 0.85 0.00 0.32 4.18 1.02 2.60 2.24 1.08 4.19 3.35 5.11 0.00 0.00 0.00 1.03 1.56 0.24 - 14 [ 0.24 .. 5.11]
1485-> TYR 75 HD* - VAL 76 HA [ 1.80 4.66] 1.47 0.10 0.00 1.46 0.00 1.47 1.55 1.44 1.44 1.53 1.48 1.48 1.46 1.47 0.20 0.17 0.00 1.45 1.47 1.36 - 17 [ 0.10 .. 1.55]
1486-> TYR 75 HD* - LYS 77 HD* [ 1.80 5.06] 0.63 0.00 0.00 0.97 0.00 0.52 1.01 1.13 0.39 0.49 1.17 0.82 0.81 1.96 0.00 0.00 0.00 1.13 1.55 0.53 - 14 [ 0.39 .. 1.96]
1487-> TYR 75 HD* - LYS 77 HG2 [ 1.80 4.74] 1.69 0.00 0.00 1.11 0.00 0.77 3.76 1.20 1.45 1.91 1.30 3.62 1.90 4.33 0.00 0.00 1.16 1.23 1.58 0.56 - 15 [ 0.56 .. 4.33]
1488-> TYR 75 HD* - LYS 77 HG3 [ 1.80 4.74] 3.12 0.00 0.38 0.48 0.44 0.18 2.91 0.59 2.89 3.15 0.68 2.97 3.28 3.26 0.69 0.00 0.74 0.63 0.94 0.07 - 18 [ 0.07 .. 3.28]
1489-> TYR 75 HD* - VAL 76 HG2* [ 1.80 5.27] 0.42 0.02 0.00 0.35 0.00 0.45 0.49 0.40 0.43 0.53 0.41 1.56 0.42 0.42 0.00 0.00 0.00 0.32 0.39 0.35 - 15 [ 0.02 .. 1.56]
1490-> TYR 3 HD* - ILE 16 HG2* [ 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 1.68 0.00 0.00 0.00 0.00 0.86 0.70 0.00 0.00 - 3 [ 0.70 .. 1.68]
1493-> PHE 29 HE* - ARG 31 HG2 [ 1.80 4.87] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 6.38 .. 6.38]
1494-> PHE 29 HE* - ARG 31 HG3 [ 1.80 4.87] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 5.20 .. 5.20]
1498-> TYR 24 HD* - LEU 42 HA [ 1.80 4.95] 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 - 3 [ 1.11 .. 1.77]
1501-> PHE 29 HZ - TRP 56 HZ3 [ 1.80 4.65] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 2.81 .. 2.81]
1509-> TYR 3 HB* - ILE 16 HG2* [ 1.80 4.37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 - 2 [ 0.10 .. 0.73]
1512-> TYR 3 HE* - MET 9 HG* [ 1.80 5.87] 0.04 0.02 0.08 0.00 0.09 0.25 0.07 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.16 0.22 - 9 [ 0.02 .. 0.25]
1529-> SER 6 HB* - THR 48 HG2* [ 1.80 4.82] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.27 .. 0.27]
1539-> MET 9 HB* - LEU 12 HD1* [ 1.80 4.29] 0.58 1.06 0.00 0.52 0.74 0.00 0.48 0.29 0.53 0.41 0.20 0.00 0.00 0.00 0.86 0.00 0.55 0.00 0.00 0.00 - 11 [ 0.20 .. 1.06]
1543-> MET 9 HG* - LEU 12 HD1* [ 1.80 4.08] 0.00 0.00 0.81 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.26 0.32 0.20 0.00 0.41 0.00 0.35 0.34 0.83 - 9 [ 0.20 .. 0.83]
1545-> PRO 10 HB* - LYS 77 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 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.00 - 1 [ 0.15 .. 0.15]
1547-> PRO 10 HB* - LEU 83 HD2* [ 1.80 3.99] 3.49 3.29 0.00 0.00 0.00 0.00 3.40 1.18 3.69 3.09 3.74 2.14 3.21 2.04 3.82 0.00 0.02 0.00 3.20 0.00 - 13 [ 0.02 .. 3.82]
1549-> PRO 10 HD* - GLN 78 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 0.05 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.05 .. 0.13]
1550-> PRO 10 HD* - LEU 83 HD1* [ 1.80 4.51] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.56 .. 2.26]
1551-> PRO 10 HD* - LEU 83 HD2* [ 1.80 3.95] 1.75 1.48 0.00 0.00 0.00 0.00 1.72 0.00 1.90 1.90 2.15 0.96 1.93 0.99 2.00 0.00 0.00 0.00 1.54 0.00 - 11 [ 0.96 .. 2.15]
1562-> THR 15 HG2* - ILE 16 HG1* [ 1.80 4.37] 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 0.39 0.00 0.00 - 2 [ 0.39 .. 0.51]
1563-> THR 15 HG2* - ASN 17 HD2* [ 1.80 4.49] 0.90 0.64 0.00 1.76 0.00 1.09 0.64 0.00 1.31 0.78 0.81 1.16 1.64 0.00 1.00 0.00 0.97 1.10 1.59 1.33 - 15 [ 0.64 .. 1.76]
1569-> ILE 16 HG1* - VAL 72 HN [ 1.80 4.68] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.00 - 1 [ 0.23 .. 0.23]
1573-> ASN 17 HB* - ILE 69 HG2* [ 1.80 4.70] 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.08 0.00 0.00 0.00 0.11 0.00 0.06 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.06 .. 0.15]
1576-> ASN 17 HD2* - GLU 71 HN [ 1.80 5.05] 1.29 1.19 2.31 1.83 1.83 1.12 1.16 2.25 1.48 1.35 1.31 1.58 1.85 2.27 1.30 2.17 2.16 1.38 1.88 1.36 - 20 [ 1.12 .. 2.31]
1577-> ASN 17 HD2* - GLU 71 HA [ 1.80 4.52] 0.42 0.34 0.67 1.06 0.28 0.46 0.30 0.57 0.65 0.50 0.49 0.77 1.02 0.64 0.45 0.53 1.17 0.65 1.03 0.62 - 20 [ 0.28 .. 1.17]
1578-> ASN 17 HD2* - GLU 71 HG* [ 1.80 4.21] 0.26 0.00 0.00 1.20 0.00 0.35 0.00 0.00 0.64 0.25 0.32 0.54 1.07 0.00 0.31 0.00 1.27 0.68 1.07 0.59 - 14 [ 0.00 .. 1.27]
1579-> ASN 17 HD2* - VAL 72 HN [ 1.80 5.30] 1.05 0.98 0.61 1.73 0.41 1.15 0.94 0.54 1.31 1.12 1.20 1.49 1.61 0.61 1.12 0.54 1.73 1.34 1.66 1.34 - 20 [ 0.41 .. 1.73]
1580-> ASN 17 HD2* - ILE 93 HG1* [ 1.80 5.37] 0.00 0.00 0.05 0.00 0.12 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.27 0.00 0.00 0.00 0.00 - 5 [ 0.05 .. 0.27]
1585-> VAL 21 HA - LYS 66 HG* [ 1.80 4.51] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 - 2 [ 0.08 .. 0.26]
1590-> ALA 23 HN - LYS 66 HB* [ 1.80 4.58] 1.20 0.77 0.11 1.00 0.38 0.44 1.30 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.43 1.38 0.26 0.00 - 11 [ 0.11 .. 1.38]
1591-> ALA 23 HN - LYS 66 HD* [ 1.80 5.87] 0.20 0.00 0.00 0.56 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 - 4 [ 0.20 .. 0.84]
1593-> ALA 23 HB* - LYS 66 HB* [ 1.80 4.33] 0.58 0.63 0.30 1.01 0.87 0.50 1.20 0.20 0.00 0.61 0.04 0.00 0.00 0.08 0.15 0.00 0.79 2.00 0.19 0.14 - 16 [ 0.04 .. 2.00]
1602-> LYS 26 HN - LYS 26 HD* [ 1.80 4.47] 0.00 0.00 0.10 0.00 0.00 0.00 0.09 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 - 3 [ 0.09 .. 0.14]
1605-> LYS 27 HB3 - GLU 28 HG* [ 1.80 5.17] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.75 - 3 [ 0.43 .. 0.75]
1609-> PHE 29 HD* - ARG 31 HG* [ 1.80 5.10] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 0.00 0.00 0.49 0.00 0.00 0.00 0.00 - 2 [ 0.49 .. 2.60]
1610-> PHE 29 HE* - ARG 31 HG* [ 1.80 4.18] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.22 0.00 0.00 0.08 0.00 0.00 0.00 0.00 - 2 [ 0.08 .. 5.22]
1611-> PHE 29 HE* - GLY 37 HA* [ 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 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 2.43 .. 2.43]
1612-> PHE 29 HE* - TRP 56 HB* [ 1.80 5.80] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.70 .. 2.53]
1613-> PHE 29 HZ - GLY 37 HA* [ 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 5.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 5.02 .. 5.02]
1616-> ARG 31 HN - ARG 31 HG* [ 1.80 3.72] 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.30 0.00 0.00 0.31 0.31 0.34 0.48 0.00 - 7 [ 0.30 .. 0.48]
1617-> ARG 31 HN - ARG 31 HD* [ 1.80 4.76] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 - 1 [ 0.28 .. 0.28]
1619-> ARG 31 HG* - GLY 37 HN [ 1.80 4.71] 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 2.35 0.00 0.00 0.00 1.82 0.89 1.84 0.00 - 6 [ 0.52 .. 2.35]
1620-> ARG 31 HG* - GLY 37 HA* [ 1.80 4.99] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.56 0.00 1.49 0.00 - 3 [ 0.56 .. 2.06]
1636-> GLN 38 HG* - ASN 57 HN [ 1.80 5.12] 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.05 0.00 0.00 - 3 [ 0.05 .. 0.38]
1637-> GLN 38 HG* - ALA 60 HB* [ 1.80 4.29] 0.00 0.00 0.15 0.00 0.00 0.00 0.16 0.00 0.00 0.00 0.16 0.00 0.01 0.00 0.00 0.05 0.00 0.00 0.00 0.00 - 5 [ 0.01 .. 0.16]
1638-> GLN 38 HE2* - ALA 60 HN [ 1.80 4.88] 2.61 1.57 2.41 1.56 0.03 3.23 2.28 2.41 0.33 2.01 2.22 0.60 2.57 0.00 0.45 3.18 3.34 2.70 0.00 2.66 - 18 [ 0.03 .. 3.34]
1639-> GLN 38 HE2* - ALA 60 HB* [ 1.80 3.83] 1.82 0.74 1.46 0.59 0.06 1.86 1.45 1.32 0.00 0.72 1.38 0.00 1.27 0.00 0.08 1.32 1.84 1.52 0.00 1.40 - 16 [ 0.06 .. 1.86]
1640-> LEU 39 HD1* - SER 41 HB* [ 1.80 5.20] 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.15 0.00 - 3 [ 0.04 .. 0.15]
1653-> LYS 40 HD* - VAL 64 HG1* [ 1.80 5.10] 0.62 0.30 0.00 0.19 0.65 0.39 0.59 0.20 0.00 0.00 0.00 0.44 0.02 0.28 0.00 0.34 0.69 0.86 0.00 0.00 - 13 [ 0.02 .. 0.86]
1654-> LYS 40 HE* - LEU 42 HD2* [ 1.80 3.71] 1.29 0.37 0.00 0.76 0.78 0.65 0.00 0.28 0.55 1.06 0.84 0.15 0.74 0.33 1.03 0.79 1.33 1.72 0.36 1.37 - 18 [ 0.15 .. 1.72]
1656-> LYS 40 HE* - VAL 64 HG1* [ 1.80 3.85] 0.41 0.21 0.04 0.99 0.59 0.33 1.09 0.09 0.00 0.00 0.00 0.38 0.00 0.18 0.00 0.38 0.74 2.08 0.00 0.00 - 13 [ 0.04 .. 2.08]
1659-> PHE 43 HD* - LYS 45 HD* [ 1.80 4.70] 0.39 0.45 0.50 0.45 0.81 0.46 0.42 0.33 0.45 0.46 0.47 2.50 0.36 0.51 0.32 0.60 2.43 0.26 0.35 1.02 - 20 [ 0.26 .. 2.50]
1670-> ILE 51 HG1* - ILE 85 HN [ 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 0.85 0.00 0.00 0.00 - 1 [ 0.85 .. 0.85]
1672-> ARG 52 HN - ARG 52 HG* [ 1.80 3.62] 0.44 0.43 0.43 0.42 0.00 0.43 0.00 0.44 0.43 0.45 0.44 0.46 0.44 0.44 0.42 0.44 0.52 0.38 0.45 0.44 - 18 [ 0.38 .. 0.52]
1682-> ASN 57 HB* - GLU 58 HN [ 1.80 3.43] 0.02 0.02 0.01 0.03 0.14 0.02 0.00 0.01 0.03 0.04 0.06 0.04 0.01 0.02 0.01 0.05 0.05 0.08 0.01 0.02 - 20 [ 0.00 .. 0.14]
1696-> GLU 63 HG* - VAL 64 HN [ 1.80 4.14] 0.30 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 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.30 .. 0.30]
1698-> VAL 64 HG2* - ASP 68 HB* [ 1.80 4.08] 2.24 2.04 0.00 0.57 2.18 1.38 0.46 0.91 0.00 0.00 0.00 2.41 1.13 1.63 0.00 1.37 2.24 0.73 0.00 0.00 - 13 [ 0.46 .. 2.41]
1699-> VAL 64 HG2* - ILE 92 HG1* [ 1.80 5.10] 0.21 0.00 0.00 0.61 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 0.16 0.00 0.00 - 4 [ 0.16 .. 0.61]
1708-> LYS 65 HG* - ILE 92 HD1* [ 1.80 5.16] 0.00 0.18 0.11 0.32 0.00 0.42 0.00 0.00 0.47 0.00 0.97 0.00 0.00 0.12 0.73 0.31 0.00 0.58 0.00 0.80 - 11 [ 0.11 .. 0.97]
1717-> ASP 68 HB* - ILE 92 HG2* [ 1.80 4.25] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.10 .. 0.10]
1718-> ASP 68 HB* - ILE 92 HD1* [ 1.80 4.05] 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.08 .. 0.68]
1734-> TYR 75 HN - ILE 85 HG1* [ 1.80 4.27] 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.91 1.36 0.00 0.00 1.21 - 5 [ 0.91 .. 1.70]
1737-> TYR 75 HD* - LYS 77 HB* [ 1.80 4.77] 0.92 0.00 0.00 1.95 0.00 1.69 0.85 2.07 0.81 0.77 2.10 0.67 0.84 1.31 0.00 0.00 0.00 2.07 2.36 1.58 - 14 [ 0.67 .. 2.36]
1738-> TYR 75 HD* - LYS 77 HG* [ 1.80 4.09] 2.06 0.00 0.00 0.78 0.00 0.51 3.03 0.88 1.85 2.23 0.96 3.03 2.25 3.41 0.00 0.00 0.96 0.91 1.20 0.38 - 15 [ 0.38 .. 3.41]
1740-> TYR 75 HE* - LYS 77 HB* [ 1.80 5.13] 2.46 0.00 0.00 3.42 0.00 3.15 2.38 3.54 2.35 2.31 3.59 2.21 2.38 2.84 0.00 0.00 0.00 3.55 3.85 2.99 - 14 [ 2.21 .. 3.85]
1741-> TYR 75 HE* - LYS 77 HG* [ 1.80 4.23] 3.80 0.00 0.00 2.49 0.00 2.24 4.67 2.59 3.58 3.97 2.67 4.66 4.00 5.05 0.00 0.00 0.00 2.61 2.91 2.03 - 14 [ 2.03 .. 5.05]
1742-> VAL 76 HN - ILE 85 HG1* [ 1.80 5.13] 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 0.00 0.00 0.00 0.00 - 1 [ 0.18 .. 0.18]
1749-> LYS 77 HD* - SER 86 HB* [ 1.80 5.05] 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.70 0.00 1.15 0.24 0.00 0.68 0.00 0.00 0.00 - 5 [ 0.04 .. 1.15]
1752-> GLN 78 HB* - LEU 83 HD2* [ 1.80 3.96] 1.71 2.31 0.00 0.00 0.00 0.00 1.66 0.00 2.09 2.53 0.19 0.67 2.11 0.00 1.72 0.00 0.00 0.00 0.41 0.00 - 10 [ 0.19 .. 2.53]
1755-> TYR 80 HB* - SER 81 HN [ 1.80 4.71] 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 0.00 0.00 0.00 0.12 0.00 0.00 0.00 - 1 [ 0.12 .. 0.12]
1757-> GLU 84 HN - GLU 84 HG* [ 1.80 3.99] 0.00 0.12 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.04 0.00 0.16 0.00 - 5 [ 0.03 .. 0.16]
1777-> GLU 94 HN - LYS 95 HG* [ 1.80 5.87] 0.00 0.15 0.00 0.00 0.46 0.00 0.00 0.46 0.00 0.40 0.00 0.50 0.42 0.00 0.33 0.22 0.00 0.00 0.28 0.37 - 10 [ 0.15 .. 0.50]
-------------------------------------------
Number of Violations greater than 0.10 142 113 89 107 114 109 110 108 105 110 120 177 152 116 105 88 161 126 120 117
-------------------------------------------
---- 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: 15 18 17 7 19 11 17 12 12 14 22 21 15 13 19 13 11 17 16 14 15.15
0.2 - 0.5 ang: 39 29 18 29 39 35 21 32 23 27 24 45 34 31 28 30 46 29 32 30 31.05
> 0.5 ang: 88 66 54 71 56 63 72 64 70 69 74 111 103 72 58 45 104 80 72 73 73.25
Total : 164 133 106 120 126 122 136 126 113 127 134 195 162 136 116 102 178 143 140 136 135.75
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 : 3.799 3.631 4.813 3.419 2.946 4.309 4.668 3.543 3.694 4.260 3.741 5.975 6.377 5.111 3.817 4.845 5.243 3.873 3.853 4.056 6.377
Max Intra Viol : 1.087 1.121 0.448 0.954 0.465 0.431 1.060 0.436 1.134 1.117 1.058 1.101 1.097 0.457 1.070 0.463 0.517 0.504 0.943 0.469 1.134
Max Seque Viol : 3.465 1.096 1.460 2.296 0.938 2.309 3.343 2.283 2.288 2.363 2.319 2.314 3.437 3.359 3.535 0.898 1.329 2.293 2.306 2.225 3.535
Max Medium Viol : 3.799 2.684 3.337 3.419 2.946 3.152 4.668 3.543 3.581 3.973 3.588 4.660 6.377 5.111 2.291 2.150 3.021 3.548 3.853 2.992 6.377
Max Long Viol : 3.504 3.631 4.813 3.384 2.458 4.309 3.583 3.492 3.694 4.260 3.741 5.975 5.025 3.434 3.817 4.845 5.243 3.873 3.338 4.056 5.975
Average Violation : 0.083 0.057 0.044 0.059 0.047 0.057 0.069 0.054 0.067 0.071 0.066 0.103 0.111 0.069 0.052 0.040 0.097 0.069 0.065 0.060 0.06710
Avge Intra Viol : 0.007 0.007 0.003 0.004 0.005 0.003 0.005 0.002 0.006 0.007 0.007 0.009 0.006 0.004 0.005 0.004 0.008 0.004 0.009 0.005 0.00554
Avge Seque Viol : 0.095 0.043 0.026 0.061 0.044 0.062 0.079 0.060 0.062 0.063 0.064 0.123 0.133 0.099 0.027 0.029 0.078 0.072 0.066 0.052 0.06685
Avge Mediu Viol : 0.124 0.053 0.038 0.075 0.048 0.066 0.087 0.070 0.082 0.077 0.046 0.140 0.112 0.112 0.098 0.032 0.071 0.049 0.081 0.086 0.07728
Avge Long Viol : 0.134 0.116 0.097 0.105 0.087 0.101 0.115 0.093 0.122 0.134 0.127 0.165 0.191 0.096 0.102 0.083 0.201 0.134 0.112 0.110 0.12118
RMS Violation : 0.385 0.303 0.270 0.300 0.239 0.309 0.367 0.288 0.352 0.375 0.337 0.443 0.507 0.381 0.291 0.255 0.434 0.337 0.325 0.299 0.34603
RMS Intra : 0.072 0.060 0.032 0.050 0.041 0.032 0.052 0.026 0.059 0.063 0.062 0.074 0.060 0.037 0.058 0.037 0.050 0.038 0.068 0.041 0.05245
RMS Sequential : 0.449 0.266 0.203 0.324 0.267 0.309 0.461 0.320 0.354 0.370 0.342 0.563 0.645 0.553 0.181 0.188 0.361 0.346 0.363 0.282 0.37724
RMS Medium range : 0.475 0.199 0.194 0.323 0.172 0.292 0.420 0.293 0.327 0.306 0.240 0.410 0.449 0.443 0.427 0.138 0.238 0.233 0.313 0.302 0.32461
RMS Long range : 0.468 0.450 0.415 0.394 0.324 0.430 0.432 0.380 0.488 0.532 0.476 0.541 0.625 0.382 0.412 0.398 0.662 0.478 0.428 0.420 0.46378
Final --global-- Summary for 20 models, 1792 NOEs/model, 35840 NOEs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ of viol : 2404.806
Summ sq. viol : 4291.377
Maximum viol : 6.377
Average viol : 0.06710
RMSD viol : 0.34603
Std. Dev. viol : 0.33946
RMS Intra : 0.05245
RMS Seque : 0.37724
RMS Medi : 0.32461
RMS Long : 0.46378
table of dihedral angle constraints violations
11-> [SER A 13] PHI -147.9 -87.9 0.0 0.1 0.0 0.0 0.0 4.0 4.2 0.0 0.0 2.3 0.7 3.3 5.2 2.1 0.0 0.0 0.0 0.6 4.5 1.6 - 11 [ 0.0 .. 5.2]
23-> [GLU A 19] PHI -142.9 -82.9 0.0 4.1 0.0 0.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 4.1]
30-> [ALA A 23] PSI 99.6 159.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 12.4 0.0 0.0 0.0 0.0 8.5 0.0 0.0 0.0 - 2 [ 0.0 .. 12.4]
31-> [GLU A 28] PHI -147.5 -87.5 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 7.2 1.9 0.0 0.0 0.0 - 2 [ 0.0 .. 7.2]
39-> [GLN A 38] PHI -156.8 -96.8 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 1.8 0.0 0.0 - 1 [ 0.0 .. 1.8]
43-> [LYS A 40] PHI -172.7 -112.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 3.8]
46-> [LEU A 42] PSI 117.7 177.7 0.0 0.0 0.0 0.0 0.4 0.0 0.0 0.0 0.0 1.7 2.6 0.0 0.0 0.0 7.9 0.0 5.3 0.0 0.0 0.0 - 5 [ 0.0 .. 7.9]
53-> [GLY A 49] PHI 108.9 168.9 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 5.9 0.0 0.0 0.0 - 1 [ 0.0 .. 5.9]
54-> [GLY A 49] PSI 119.3 179.3 24.3 25.7 10.8 5.9 14.7 0.0 5.2 25.7 25.8 22.7 4.6 12.0 8.7 0.1 12.9 8.3 17.1 17.2 16.9 2.1 - 19 [ 0.0 .. 25.8]
58-> [ILE A 51] PSI 104.1 164.1 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 5.4 0.0 0.0 0.0 - 1 [ 0.0 .. 5.4]
59-> [ARG A 52] PHI -150.1 -90.1 0.0 0.0 0.0 0.4 0.0 0.2 6.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.6 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 6.0]
65-> [TRP A 56] PHI -115.0 -75.0 0.0 2.7 0.8 1.7 0.0 0.0 0.0 3.5 0.0 4.4 0.0 0.0 0.0 4.4 2.0 6.3 0.0 0.0 2.0 0.3 - 10 [ 0.0 .. 6.3]
66-> [TRP A 56] PSI 143.1 -176.9 10.4 11.7 21.0 2.2 2.5 3.2 16.6 13.0 4.0 2.4 17.1 16.2 2.9 13.3 14.0 5.2 20.3 8.7 7.5 2.9 - 20 [ 2.2 .. 21.0]
73-> [VAL A 64] PHI -146.6 -86.5 16.2 0.0 13.7 0.0 0.0 0.0 0.0 0.0 2.0 0.0 7.2 0.0 0.0 0.0 5.3 0.0 0.0 0.0 0.0 6.2 - 6 [ 0.0 .. 16.2]
77-> [ILE A 69] PHI -138.1 -78.1 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 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 3.3]
91-> [LYS A 77] PHI -163.9 -103.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.9 0.0 0.0 2.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 2.6]
93-> [GLN A 78] 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 9.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 9.4]
94-> [GLN A 78] PSI 109.0 169.0 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]
95-> [GLU A 84] PHI -167.1 -107.1 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 0.0 0.0 - 1 [ 0.0 .. 7.1]
96-> [GLU A 84] PSI 126.6 -173.4 0.0 0.0 0.0 0.0 9.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.3 0.0 0.0 8.8 0.0 0.0 0.0 - 3 [ 0.0 .. 9.5]
97-> [ILE A 85] PHI -162.1 -102.1 0.0 0.0 0.0 0.0 10.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.4 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 10.6]
106-> [ASN A 89] PSI 116.1 176.1 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 4.1 0.0 0.0 - 1 [ 0.0 .. 4.1]
109-> [GLY A 91] PHI -151.0 -111.0 0.0 0.0 0.0 1.1 2.6 5.5 5.4 0.6 0.0 2.8 0.2 0.0 0.0 1.5 0.0 0.0 2.3 3.6 1.4 0.1 - 12 [ 0.0 .. 5.5]
110-> [GLY A 91] PSI 118.3 158.3 13.6 2.0 12.6 12.4 0.0 5.2 12.0 13.4 6.8 13.6 11.8 2.0 14.8 15.9 13.3 7.0 17.8 0.0 16.9 9.5 - 18 [ 0.0 .. 17.8]
113-> [LEU A 39] CHI1 160.0 -160.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 97.7 0.0 0.0 0.0 0.0 0.0 98.8 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 98.8]
114-> [LEU A 39] CHI2 40.0 80.0 70.8 69.9 69.5 0.0 0.0 0.0 0.0 77.2 0.0 0.0 0.0 0.0 0.0 72.5 0.0 0.0 76.8 0.0 72.4 67.4 - 8 [ 0.0 .. 77.2]
115-> [LYS A 26] CHI1 40.0 80.0 103.8 0.0 101.1 0.0 0.0 100.8 99.6 0.0 0.0 0.0 102.0 0.0 0.0 0.0 0.0 0.0 0.0 111.3 109.9 102.7 - 8 [ 0.0 .. 111.3]
117-> [GLN A 78] CHI1 160.0 -160.0 97.2 0.0 0.0 0.0 0.0 0.0 95.7 0.0 0.0 0.0 0.0 0.0 96.6 92.9 97.7 0.0 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 97.7]
118-> [GLN A 78] CHI2 160.0 -160.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 91.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 91.1]
119-> [TYR A 75] CHI1 160.0 -160.0 90.8 0.0 0.0 91.6 0.0 91.9 93.7 92.2 90.6 93.2 93.9 93.9 88.5 91.2 0.0 0.0 0.0 92.6 91.0 90.7 - 14 [ 0.0 .. 93.9]
120-> [TYR A 75] CHI2 70.0 110.0 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 3.3 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 3.3]
121-> [ASN A 57] PSI -175.0 -135.0 15.9 19.6 20.1 15.1 0.0 14.5 20.0 18.4 17.6 17.7 19.4 20.0 16.2 19.0 17.6 16.2 19.9 17.6 15.0 19.9 - 19 [ 0.0 .. 20.1]
125-> [ASN A 11] PSI -11.1 49.9 0.0 15.1 0.0 0.0 0.0 0.0 0.0 1.5 2.9 2.3 0.8 3.2 0.0 0.0 7.9 0.0 0.0 0.0 0.0 0.0 - 7 [ 0.0 .. 15.1]
---- 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 : 0 3 0 4 5 4 4 2 4 6 4 6 4 3 5 7 7 4 4 5 4.05
> 10. degrees : 9 5 7 3 2 3 6 7 3 5 5 5 4 6 5 2 5 4 6 4 4.80
Total : 9 9 8 10 8 8 10 10 8 11 12 11 8 11 10 9 12 10 10 11 9.75
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 : 103.8 69.9 101.1 91.6 14.7 100.8 99.6 92.2 90.6 97.7 102.0 93.9 96.6 92.9 97.7 98.8 76.8 111.3 109.9 102.7 111.26
Max PHI Viol : 16.2 4.1 13.7 1.7 10.6 5.5 6.0 3.5 2.0 4.4 9.4 3.3 5.2 4.4 5.3 7.2 5.9 3.6 4.5 6.2 16.25
Max PSI Viol : 24.3 25.7 21.0 15.1 14.7 14.5 20.0 25.7 25.8 22.7 19.4 20.0 16.2 19.0 17.6 16.2 20.3 17.6 16.9 19.9 25.77
Max CHI1 Viol : 103.8 0.0 101.1 91.6 0.0 100.8 99.6 92.2 90.6 97.7 102.0 93.9 96.6 92.9 97.7 98.8 0.0 111.3 109.9 102.7 111.26
Max CHI2 Viol : 70.8 69.9 69.5 0.0 0.0 0.0 0.0 91.1 0.0 0.0 0.0 0.0 0.0 72.5 3.3 0.0 76.8 0.0 72.4 67.4 91.08
Average Violation : 3.5 1.2 2.0 1.0 0.4 1.8 2.9 2.7 1.2 2.1 2.2 1.4 1.9 2.5 1.5 1.2 1.5 2.1 2.7 2.4 1.908
Avge PHI Viol : 0.529 0.344 0.500 0.260 0.637 0.410 0.518 0.264 0.223 0.403 0.549 0.345 0.393 0.372 0.356 0.564 0.417 0.324 0.370 0.376 0.422
Avge PSI Viol : 1.043 1.121 1.046 0.776 0.678 0.622 0.955 1.105 0.984 1.012 0.978 1.076 0.849 0.907 1.116 0.789 1.323 0.898 0.977 0.764 0.965
Avge CHI1 Viol : 8.541 0.000 5.027 4.785 0.000 6.941 8.500 4.801 4.758 6.910 6.998 4.845 6.803 6.784 4.942 4.971 0.000 7.139 7.087 6.952 5.909
Avge CHI2 Viol : 4.207 4.181 4.167 0.000 0.000 0.000 0.000 6.486 0.000 0.000 0.000 0.000 0.000 4.256 0.906 0.000 4.381 0.000 4.254 4.106 2.896
RMS Violation : 16.704 7.117 11.437 8.398 1.989 12.297 15.177 13.890 8.603 12.428 12.713 8.861 11.923 13.569 9.190 9.070 7.779 13.166 14.553 13.814 11.635
RMS PHI Viol : 2.134 0.647 1.801 0.283 1.764 0.895 1.194 0.463 0.290 0.742 1.559 0.563 0.841 0.673 0.749 1.346 0.869 0.534 0.677 0.839 1.072
RMS PSI Viol : 4.384 4.900 4.357 2.669 2.306 2.045 3.790 4.787 4.206 4.173 3.770 4.074 3.091 3.662 4.058 2.627 5.253 3.440 3.804 2.910 3.813
RMS CHI1 Viol : 84.367 0.000 50.538 45.799 0.000 68.208 83.461 46.091 45.285 67.543 69.323 46.947 65.509 65.088 48.844 49.425 0.000 72.379 71.335 68.491 58.099
RMS CHI2 Viol : 35.392 34.970 34.730 0.000 0.000 0.000 0.000 59.697 0.000 0.000 0.000 0.000 0.000 36.229 1.641 0.000 38.382 0.000 36.195 33.719 24.981
Final --global-- Summary for 20 models, 125 ACOs/model, 2500 ACOs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ. Viol. : 4770.04
Summ. Sq. Viol. : 338444.69
Max. Viol. : 111.260
Avg. Viol. : 1.90802
RMS Viol. : 11.63520
Std. Dev. Viol. : 11.47769
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 0.964 0.928 0.779 0.910
ASN A 2 0.998 0.980 0.711 0.972 2 2
TYR A 3 0.983 0.997 0.999 0.918 3 3
LYS A 4 0.995 0.994 1.000 0.926 0.933 0.999 4 4
ILE A 5 0.999 0.998 1.000 1.000 5 5
SER A 6 0.999 0.999 0.916 6 6
GLU A 7 0.998 0.995 0.998 0.912 0.947 7 7
LEU A 8 0.995 0.990 0.999 0.999 8 8
MET A 9 0.969 0.998 0.449 0.863 0.459 9 9
PRO A 10 0.999 0.997 0.957 0.910 10 10
ASN A 11 0.998 0.994 0.675 0.824 11 11
LEU A 12 0.988 0.997 1.000 1.000 12 12
SER A 13 0.995 0.995 0.936 13 13
GLY A 14 0.998 0.997 14 14
THR A 15 0.998 0.999 1.000 15 15
ILE A 16 0.997 0.987 0.805 0.999 16 16
ASN A 17 0.982 0.997 0.656 0.893 17 17
ALA A 18 0.998 0.998 18 18
GLU A 19 0.996 0.998 0.931 1.000 0.956 19 19
VAL A 20 0.999 0.999 1.000 20 20
VAL A 21 0.996 0.997 1.000 21 21
ALA A 22 0.996 0.974 22 22
ALA A 23 0.947 0.956 23 23
TYR A 24 0.963 0.989 0.788 0.996 24 24
PRO A 25 0.992 0.994 0.920 0.846 25 25
LYS A 26 0.995 0.991 0.559 0.993 0.738 0.988 26 26
LYS A 27 0.990 0.981 0.928 0.872 0.999 1.000 27 27
GLU A 28 0.974 0.994 0.855 0.936 0.915 28 28
PHE A 29 0.993 0.998 0.917 0.999 29 29
SER A 30 0.988 0.967 0.716 30 30
ARG A 31 0.940 0.977 0.644 0.811 0.521 0.561 1.000 31 31
LYS A 32 0.991 0.985 0.811 1.000 1.000 1.000 32 32
ASP A 33 0.973 0.905 0.386 0.994 33 33
GLY A 34 0.920 0.941 34 34
THR A 35 0.851 0.957 0.767 35
LYS A 36 0.677 0.777 0.638 0.999 0.999 0.999
GLY A 37 0.891 0.919 37
GLN A 38 0.980 0.996 0.996 0.620 0.602 38 38
LEU A 39 0.997 0.985 0.850 0.740 39 39
LYS A 40 0.986 0.996 0.999 0.997 0.896 0.874 40 40
SER A 41 0.997 0.989 0.503 41 41
LEU A 42 0.987 0.934 0.397 0.795 42 42
PHE A 43 0.960 0.997 0.868 0.980 43 43
LEU A 44 0.999 0.999 0.993 0.949 44 44
LYS A 45 0.999 0.997 1.000 0.999 1.000 1.000 45 45
ASP A 46 0.978 0.985 0.486 0.844 46 46
ASP A 47 0.993 0.986 0.914 0.999 47 47
THR A 48 0.978 0.989 0.999 48 48
GLY A 49 0.964 0.989 49 49
SER A 50 0.980 0.996 0.930 50 50
ILE A 51 0.997 0.990 0.918 0.999 51 51
ARG A 52 0.989 0.989 0.871 0.997 0.615 0.880 1.000 52 52
GLY A 53 0.989 0.989 53 53
THR A 54 0.998 0.996 0.606 54 54
LEU A 55 0.999 0.986 0.999 1.000 55 55
TRP A 56 0.990 0.994 1.000 0.998 56 56
ASN A 57 0.997 0.989 1.000 1.000 57 57
GLU A 58 0.997 0.995 0.820 0.923 0.976 58 58
LEU A 59 0.997 0.996 0.999 0.999 59 59
ALA A 60 0.998 0.994 60 60
ASP A 61 0.991 0.993 0.913 0.952 61 61
PHE A 62 0.997 0.997 0.997 0.999 62 62
GLU A 63 0.975 0.985 0.700 0.738 0.925 63 63
VAL A 64 0.947 0.973 0.314 64 64
LYS A 65 0.987 0.993 0.996 0.615 0.998 0.997 65 65
LYS A 66 0.986 0.992 0.743 1.000 0.999 1.000 66 66
GLY A 67 0.988 0.972 67 67
ASP A 68 0.951 0.991 0.910 0.957 68 68
ILE A 69 0.994 0.994 0.999 0.691 69 69
ALA A 70 0.994 0.992 70 70
GLU A 71 0.996 0.998 1.000 1.000 1.000 71 71
VAL A 72 0.999 0.998 1.000 72 72
SER A 73 0.995 0.999 0.694 73 73
GLY A 74 0.997 0.999 74 74
TYR A 75 0.997 0.994 0.670 0.993 75 75
VAL A 76 0.995 0.995 0.929 76 76
LYS A 77 0.964 0.985 0.139 0.998 0.991 0.892 77 77
GLN A 78 0.959 0.974 0.688 0.934 0.979 78 78
GLY A 79 0.819 0.839 79
TYR A 80 0.945 0.379 0.478 0.974
SER A 81 0.340 0.783 0.558
GLY A 82 0.815 0.817 82
LEU A 83 0.905 0.951 0.567 0.498 83 83
GLU A 84 0.978 0.964 0.105 0.801 0.761 84 84
ILE A 85 0.973 0.993 0.660 0.958 85 85
SER A 86 0.995 0.997 1.000 86 86
VAL A 87 0.999 0.999 1.000 87 87
ASP A 88 0.999 0.999 1.000 1.000 88 88
ASN A 89 0.996 0.975 0.565 0.848 89 89
ILE A 90 0.981 1.000 0.999 1.000 90 90
GLY A 91 0.998 0.991 91 91
ILE A 92 0.994 0.998 0.999 0.564 92 92
ILE A 93 0.994 0.995 1.000 1.000 93 93
GLU A 94 0.915 0.841 0.585 0.780 0.952 94
LYS A 95 0.956 0.750 0.520 0.999 0.997 0.999
SER A 96 0.774 0.784 0.379
LEU A 97 0.888 0.248 0.393 0.669
GLU A 98 0.842 0.594 0.931 0.983
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 `MRR110B_R3_em_bcr3.pdb'
>
> Kabsch RMSD of backbone atoms in res. A[2..34],A[38..78],A[83..93],for model 1 is: 0.632
> Kabsch RMSD of backbone atoms in res. A[2..34],A[38..78],A[83..93],for model 2 is: 0.506
> Kabsch RMSD of backbone atoms in res. A[2..34],A[38..78],A[83..93],for model 3 is: 0.371
> Kabsch RMSD of backbone atoms in res. A[2..34],A[38..78],A[83..93],for model 4 is: 0.397
> Kabsch RMSD of backbone atoms in res. A[2..34],A[38..78],A[83..93],for model 5 is: 0.770
> Kabsch RMSD of backbone atoms in res. A[2..34],A[38..78],A[83..93],for model 6 is: 0.547
> Kabsch RMSD of backbone atoms in res. A[2..34],A[38..78],A[83..93],for model 7 is: 0.479
> Kabsch RMSD of backbone atoms in res. A[2..34],A[38..78],A[83..93],for model 8 is: 0.395
> Kabsch RMSD of backbone atoms in res. A[2..34],A[38..78],A[83..93],for model 9 is: 0.338 (*)
> Kabsch RMSD of backbone atoms in res. A[2..34],A[38..78],A[83..93],for model 10 is: 0.342
> Kabsch RMSD of backbone atoms in res. A[2..34],A[38..78],A[83..93],for model 11 is: 0.567
> Kabsch RMSD of backbone atoms in res. A[2..34],A[38..78],A[83..93],for model 12 is: 0.865
> Kabsch RMSD of backbone atoms in res. A[2..34],A[38..78],A[83..93],for model 13 is: 1.012
> Kabsch RMSD of backbone atoms in res. A[2..34],A[38..78],A[83..93],for model 14 is: 0.437
> Kabsch RMSD of backbone atoms in res. A[2..34],A[38..78],A[83..93],for model 15 is: 0.358
> Kabsch RMSD of backbone atoms in res. A[2..34],A[38..78],A[83..93],for model 16 is: 0.602
> Kabsch RMSD of backbone atoms in res. A[2..34],A[38..78],A[83..93],for model 17 is: 0.808
> Kabsch RMSD of backbone atoms in res. A[2..34],A[38..78],A[83..93],for model 18 is: 1.376
> Kabsch RMSD of backbone atoms in res. A[2..34],A[38..78],A[83..93],for model 19 is: 0.709
> Kabsch RMSD of backbone atoms in res. A[2..34],A[38..78],A[83..93],for model 20 is: 0.596
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[2..34],[38..78],[83..93], is: 0.605
> Range of RMSD values to reference struct. is 0.338 to 1.376
> Kabsch RMSD of heavy atoms in res. A[2..34],A[38..78],A[83..93],for model 1 is: 0.920
> Kabsch RMSD of heavy atoms in res. A[2..34],A[38..78],A[83..93],for model 2 is: 0.852
> Kabsch RMSD of heavy atoms in res. A[2..34],A[38..78],A[83..93],for model 3 is: 0.984
> Kabsch RMSD of heavy atoms in res. A[2..34],A[38..78],A[83..93],for model 4 is: 0.771
> Kabsch RMSD of heavy atoms in res. A[2..34],A[38..78],A[83..93],for model 5 is: 1.342
> Kabsch RMSD of heavy atoms in res. A[2..34],A[38..78],A[83..93],for model 6 is: 0.814
> Kabsch RMSD of heavy atoms in res. A[2..34],A[38..78],A[83..93],for model 7 is: 0.861
> Kabsch RMSD of heavy atoms in res. A[2..34],A[38..78],A[83..93],for model 8 is: 0.764
> Kabsch RMSD of heavy atoms in res. A[2..34],A[38..78],A[83..93],for model 9 is: 0.642 (*)
> Kabsch RMSD of heavy atoms in res. A[2..34],A[38..78],A[83..93],for model 10 is: 0.748
> Kabsch RMSD of heavy atoms in res. A[2..34],A[38..78],A[83..93],for model 11 is: 0.828
> Kabsch RMSD of heavy atoms in res. A[2..34],A[38..78],A[83..93],for model 12 is: 1.338
> Kabsch RMSD of heavy atoms in res. A[2..34],A[38..78],A[83..93],for model 13 is: 1.460
> Kabsch RMSD of heavy atoms in res. A[2..34],A[38..78],A[83..93],for model 14 is: 0.820
> Kabsch RMSD of heavy atoms in res. A[2..34],A[38..78],A[83..93],for model 15 is: 0.833
> Kabsch RMSD of heavy atoms in res. A[2..34],A[38..78],A[83..93],for model 16 is: 0.996
> Kabsch RMSD of heavy atoms in res. A[2..34],A[38..78],A[83..93],for model 17 is: 1.388
> Kabsch RMSD of heavy atoms in res. A[2..34],A[38..78],A[83..93],for model 18 is: 1.707
> Kabsch RMSD of heavy atoms in res. A[2..34],A[38..78],A[83..93],for model 19 is: 1.049
> Kabsch RMSD of heavy atoms in res. A[2..34],A[38..78],A[83..93],for model 20 is: 0.892
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[2..34],[38..78],[83..93], is: 1.000
> Range of RMSD values to reference struct. is 0.642 to 1.707
Text report of backbone RMSD for entire protein
> Kabsch RMSD of backb atoms in res. *[1..98],for model 1 is: 0.901
> Kabsch RMSD of backb atoms in res. *[1..98],for model 2 is: 1.100
> Kabsch RMSD of backb atoms in res. *[1..98],for model 3 is: 0.820
> Kabsch RMSD of backb atoms in res. *[1..98],for model 4 is: 1.328
> Kabsch RMSD of backb atoms in res. *[1..98],for model 5 is: 1.170
> Kabsch RMSD of backb atoms in res. *[1..98],for model 6 is: 0.780
> Kabsch RMSD of backb atoms in res. *[1..98],for model 7 is: 0.813
> Kabsch RMSD of backb atoms in res. *[1..98],for model 8 is: 0.867
> Kabsch RMSD of backb atoms in res. *[1..98],for model 9 is: 0.637
> Kabsch RMSD of backb atoms in res. *[1..98],for model 10 is: 0.635
> Kabsch RMSD of backb atoms in res. *[1..98],for model 11 is: 0.947
> Kabsch RMSD of backb atoms in res. *[1..98],for model 12 is: 1.236
> Kabsch RMSD of backb atoms in res. *[1..98],for model 13 is: 1.174
> Kabsch RMSD of backb atoms in res. *[1..98],for model 14 is: 2.452
> Kabsch RMSD of backb atoms in res. *[1..98],for model 15 is: 0.582 (*)
> Kabsch RMSD of backb atoms in res. *[1..98],for model 16 is: 0.844
> Kabsch RMSD of backb atoms in res. *[1..98],for model 17 is: 0.913
> Kabsch RMSD of backb atoms in res. *[1..98],for model 18 is: 1.579
> Kabsch RMSD of backb atoms in res. *[1..98],for model 19 is: 1.371
> Kabsch RMSD of backb atoms in res. *[1..98],for model 20 is: 0.883
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..98], is: 1.052
> Range of RMSD values to reference struct. is 0.582 to 2.452
Text report of heavy atom RMSD for entire protein
> Kabsch RMSD of heavy atoms in res. *[1..98],for model 1 is: 1.443
> Kabsch RMSD of heavy atoms in res. *[1..98],for model 2 is: 1.407
> Kabsch RMSD of heavy atoms in res. *[1..98],for model 3 is: 1.398
> Kabsch RMSD of heavy atoms in res. *[1..98],for model 4 is: 1.754
> Kabsch RMSD of heavy atoms in res. *[1..98],for model 5 is: 1.756
> Kabsch RMSD of heavy atoms in res. *[1..98],for model 6 is: 1.140
> Kabsch RMSD of heavy atoms in res. *[1..98],for model 7 is: 1.304
> Kabsch RMSD of heavy atoms in res. *[1..98],for model 8 is: 1.175
> Kabsch RMSD of heavy atoms in res. *[1..98],for model 9 is: 1.110
> Kabsch RMSD of heavy atoms in res. *[1..98],for model 10 is: 1.052 (*)
> Kabsch RMSD of heavy atoms in res. *[1..98],for model 11 is: 1.337
> Kabsch RMSD of heavy atoms in res. *[1..98],for model 12 is: 1.799
> Kabsch RMSD of heavy atoms in res. *[1..98],for model 13 is: 1.634
> Kabsch RMSD of heavy atoms in res. *[1..98],for model 14 is: 2.800
> Kabsch RMSD of heavy atoms in res. *[1..98],for model 15 is: 1.224
> Kabsch RMSD of heavy atoms in res. *[1..98],for model 16 is: 1.304
> Kabsch RMSD of heavy atoms in res. *[1..98],for model 17 is: 1.510
> Kabsch RMSD of heavy atoms in res. *[1..98],for model 18 is: 2.122
> Kabsch RMSD of heavy atoms in res. *[1..98],for model 19 is: 1.702
> Kabsch RMSD of heavy atoms in res. *[1..98],for model 20 is: 1.287
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..98], is: 1.513
> Range of RMSD values to reference struct. is 1.052 to 2.800
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 1.1 0.6 0.6
All heavy atoms 1.5 1.0 1.0
Contact Map (constraints list and 3D Coordinates)
JPEG image of Contact Map for Constraints
JPEG image of Contact Map for Coordinates
Output from PROCHECK
Ramachandran Plot for all models
Text summary of Ramachandran Plot
+----------<<< P R O C H E C K S U M M A R Y >>>----------+
| |
| MRR110B_R3_em_bcr3_020.rin 0.0 1700 residues |
| |
*| Ramachandran plot: 94.9% core 3.8% allow 0.2% gener 1.1% disall |
| |
+| All Ramachandrans: 2 labelled residues (out of1700) |
| Chi1-chi2 plots: 0 labelled residues (out of1120) |
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
Ramachandran analysis for each residue from Molprobity
Chi1-Chi2 Plots for each residue
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
Procheck G-factors for phi-psi for each residue
JPEG image for residue phi-psi G-factors
Table of Procheck G-factors for phi-psi for ordered residues
#phipsi_gfactor
#Residue\Model average
2 -0.14
3 0.06
4 -0.64
5 0.65
6 0.72
7 -0.53
8 -0.43
9 -0.47
10 0.25
11 -0.06
12 -0.45
13 -0.28
14 -0.26
15 0.48
16 -0.44
17 -0.57
18 -0.49
19 -0.42
20 -0.75
21 -1.75
22 -0.80
23 -0.86
24 0.10
25 0.32
26 -0.38
27 -0.66
28 -0.55
29 -0.01
30 -0.81
31 -0.66
32 0.38
33 0.46
38 -0.46
39 -0.94
40 -0.56
41 -0.27
42 -1.37
43 -0.35
44 -0.58
45 -0.41
46 -1.13
47 0.31
48 -0.23
49 -0.93
50 -0.05
51 -2.14
52 -0.43
53 -0.99
54 0.00
55 -0.22
56 -0.22
57 -2.71
58 0.20
59 0.22
60 0.01
61 0.16
62 -0.89
63 -0.63
64 -0.44
65 -0.32
66 -0.36
67 0.37
68 -0.32
69 -0.42
70 -0.84
71 -0.83
72 0.42
73 -0.45
74 -0.37
75 -0.18
76 -0.19
77 -0.71
78 -0.48
83 -0.77
84 -0.72
85 -0.11
86 -1.35
87 -0.40
88 -1.63
89 -1.00
90 -0.86
91 -0.35
92 0.23
93 -0.51
94 -1.51
#Reported_Model_Average -0.444
#Overall_Average_Reported -0.444
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
2 0.12
3 0.39
4 0.25
5 0.78
6 0.77
7 0.29
8 0.22
9 -0.14
10 0.25
11 0.23
12 0.04
13 -0.29
14 -0.26
15 0.45
16 -0.25
17 -0.20
18 -0.49
19 0.19
20 0.03
21 -0.55
22 -0.80
23 -0.86
24 0.21
25 0.32
26 -0.08
27 0.24
28 0.22
29 -0.07
30 -0.32
31 0.10
32 0.80
33 0.60
38 0.13
39 -0.70
40 0.10
41 -0.08
42 -1.17
43 -0.07
44 -0.02
45 0.18
46 -0.69
47 0.70
48 0.09
49 -0.93
50 0.33
51 -1.27
52 0.17
53 -0.99
54 0.19
55 0.29
56 0.44
57 -0.77
58 0.67
59 0.56
60 0.01
61 0.51
62 -0.08
63 0.01
64 -0.30
65 0.14
66 0.27
67 0.37
68 0.21
69 -0.14
70 -0.84
71 -0.03
72 0.51
73 -0.27
74 -0.37
75 0.11
76 0.21
77 0.02
78 0.15
83 -0.11
84 -0.24
85 -0.23
86 -0.55
87 0.14
88 -0.64
89 -0.49
90 -0.66
91 -0.35
92 0.24
93 0.19
94 -0.34
#Reported_Model_Average -0.038
#Overall_Average_Reported -0.038
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
2 0.01 0.00 0.00 0.01 0.00 0.01 0.01 0.00 0.01 0.00 0.01 0.01 0.01 0.01 0.01 0.00 0.00 0.01 0.01 0.01
3 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.30 1.09 1.30 1.09 1.30 1.09 1.09 1.30 1.09 1.30 1.09 1.09
4 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
5 0.81 0.81 0.81 0.81 0.81 0.81 0.93 0.93 0.81 0.81 0.81 0.81 0.81 0.93 0.93 0.81 0.81 0.81 0.93 0.93
6 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34
7 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 0.28 0.28 0.28 0.28 0.28 0.28 0.28
8 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
9 -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
10 0.44 0.44 0.44 0.44 0.64 0.44 0.44 0.25 0.25 0.44 0.44 0.64 0.44 0.44 0.44 0.44 0.44 0.44 0.25 0.44
11 0.41 0.51 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.51 0.41 0.41 0.41
12 0.14 0.36 0.14 0.14 0.36 0.36 0.36 0.36 0.14 0.14 0.36 0.14 0.36 0.36 0.14 0.14 0.14 0.14 0.36 0.14
13 0.49 0.65 0.65 0.49 0.65 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.65 0.65 0.65 0.49 0.49 0.49
14 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
15 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
16 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
17 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 0.00
18 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
19 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41
20 0.71 0.71 1.18 0.71 0.71 0.71 0.71 0.71 0.71 1.18 0.71 0.71 0.71 0.71 0.71 0.71 0.71 1.18 0.71 0.71
21 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.08 0.44 0.44 0.44 0.44 0.08 0.44 0.44 0.44
22 0.14 0.59 0.14 -0.52 0.59 0.59 0.14 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.14 0.14 0.59
23 -0.52 0.59 -0.52 0.59 0.59 0.59 -0.52 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
24 1.25 -0.43 -0.43 -0.43 1.25 -0.43 -0.43 -0.43 -0.43 -0.43 -0.43 -0.43 -0.43 -0.43 -0.43 -0.43 -0.43 1.25 -0.43 -0.43
25 0.44 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.44
26 0.47 0.47 0.08 0.47 0.47 0.47 0.08 0.47 0.47 0.47 0.08 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
27 -1.54 -1.54 0.55 -1.54 -1.54 -1.54 -1.54 -1.54 -1.54 -1.54 -1.54 0.55 -1.54 -1.54 -1.54 -1.54 0.55 -1.54 -1.54 0.55
28 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41
29 -0.56 -0.56 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 -0.56 -0.56 0.37 0.37 0.37 0.37 0.37 0.37 0.37
30 0.65 0.65 0.65 0.65 0.65 0.65 0.65 0.65 0.65 0.65 0.65 0.65 0.49 0.65 0.65 0.65 0.65 0.65 0.65 0.65
31 0.71 0.71 0.24 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.24 0.24 0.24 0.71 0.71 0.24 0.71 0.24 0.71
32 -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
33 0.51 0.23 0.51 0.51 0.23 0.51 0.51 0.51 0.51 0.23 0.23 0.51 0.51 0.51 0.23 0.51 0.51 0.51 0.23 0.23
38 0.10 0.52 0.10 0.10 0.52 0.10 0.10 0.52 0.52 0.52 0.10 0.52 0.10 0.52 0.52 0.10 0.52 0.10 0.10 0.52
39 -0.81 -0.81 -0.81 -0.81 0.36 0.36 -0.81 -0.81 -0.81 -0.81 -0.81 -0.81 1.07 -0.81 -0.81 0.36 -0.81 -0.81 -0.81 -0.81
40 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 -0.83 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35
41 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
42 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
43 0.37 0.37 -0.56 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 1.32 0.37
44 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
45 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55
46 -0.03 -0.03 -0.03 -0.61 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.61 -0.03 -0.03 -0.03 -0.03 -0.61 -0.61 -0.03 -0.03
47 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
48 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.55 0.08 0.08 0.08 0.08 0.08 0.08 0.08
49 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
50 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.65 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
51 1.50 1.50 1.50 1.50 1.07 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.07 1.50 1.50 1.50 1.50
52 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.19 0.84 0.84 0.19 0.84 0.84 0.84 0.84 0.19 0.84 0.84 0.84 0.19
53 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
54 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 0.79 0.95 0.95
55 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
56 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07
57 0.51 0.51 0.51 0.51 0.51 0.51 0.51 -0.26 0.51 0.51 0.51 0.51 0.41 -0.26 0.51 0.51 0.51 -0.26 0.51 0.51
58 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.28 0.04 0.04
59 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29
60 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
61 0.51 0.51 0.51 0.51 0.51 0.23 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
62 1.04 1.04 1.04 1.04 0.71 1.04 1.04 1.04 1.04 1.04 1.04 0.71 1.04 1.04 1.04 1.04 0.71 0.71 1.04 1.04
63 0.28 0.28 0.28 0.28 0.28 0.04 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
64 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
65 0.47 0.47 -0.10 0.47 0.08 0.47 0.47 0.47 0.47 0.08 0.47 0.47 0.47 0.47 0.47 0.47 0.08 0.47 0.47 0.47
66 0.47 0.47 -0.10 -0.10 0.47 -0.10 -0.10 -0.10 -0.10 0.47 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 0.47 -0.10 0.47 -0.10
67 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
68 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 -1.97 0.34 0.34 -2.63 -1.97 -1.97
69 -0.35 -0.35 0.09 0.26 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35
70 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
71 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41
72 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
73 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
74 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
75 -0.30 1.09 1.09 -0.30 1.09 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 1.09 1.09 1.09 -0.30 -0.30 -0.30
76 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 1.18 1.18 1.18 1.18 1.18 1.18 1.18
77 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55
78 0.10 -0.12 -0.12 -0.12 -0.12 -0.12 0.10 0.10 -0.12 -0.12 0.10 -0.12 0.10 0.10 0.10 0.10 0.10 -0.12 0.10 -0.12
83 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 -0.81 0.14 0.14 -0.81 0.14 0.14 0.14 0.36 0.36 0.14 0.14 -0.81
84 -0.42 -0.42 0.41 -0.42 -0.42 -0.42 -0.42 0.41 -0.42 -0.42 -0.42 -0.42 -0.20 -0.42 -0.42 0.41 -0.42 0.41 0.41 0.41
85 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
86 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
87 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
88 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03
89 0.01 0.01 0.01 0.01 0.01 0.01 0.01 0.01 0.01 0.01 0.01 0.01 0.01 0.01 0.01 0.01 0.01 0.01 0.01 0.01
90 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
91 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
92 0.26 1.50 0.26 1.07 1.50 1.07 1.07 0.26 1.07 0.26 1.07 1.50 0.26 1.07 0.26 1.07 1.07 1.07 0.26 1.07
93 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94
94 0.28 0.28 0.28 0.28 0.28 0.04 0.04 0.28 0.04 0.04 0.04 -0.59 0.04 0.28 0.04 0.28 0.04 0.28 0.04 0.04
#Reported_Model_Average 0.500 0.532 0.515 0.495 0.559 0.515 0.488 0.490 0.499 0.504 0.494 0.480 0.514 0.505 0.492 0.544 0.540 0.486 0.486 0.498
#Overall_Average_Reported 0.507
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
2 0.01 0.00 0.00 0.01 0.00 0.01 0.01 0.00 0.01 0.00 0.01 0.01 0.01 0.01 0.01 0.00 0.00 0.01 0.01 0.01
3 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.09 1.30 1.09 1.30 1.09 1.30 1.09 1.09 1.30 1.09 1.30 1.09 1.09
4 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
5 0.81 0.81 0.81 0.81 0.81 0.81 0.93 0.93 0.81 0.81 0.81 0.81 0.81 0.93 0.93 0.81 0.81 0.81 0.93 0.93
6 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34
7 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 0.28 0.28 0.28 0.28 0.28 0.28 0.28
8 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
9 -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
10 0.44 0.44 0.44 0.44 0.64 0.44 0.44 0.25 0.25 0.44 0.44 0.64 0.44 0.44 0.44 0.44 0.44 0.44 0.25 0.44
11 0.41 0.51 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.51 0.41 0.41 0.41
12 0.14 0.36 0.14 0.14 0.36 0.36 0.36 0.36 0.14 0.14 0.36 0.14 0.36 0.36 0.14 0.14 0.14 0.14 0.36 0.14
13 0.49 0.65 0.65 0.49 0.65 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.65 0.65 0.65 0.49 0.49 0.49
14 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
15 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
16 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
17 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 0.00
18 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
19 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41
20 0.71 0.71 1.18 0.71 0.71 0.71 0.71 0.71 0.71 1.18 0.71 0.71 0.71 0.71 0.71 0.71 0.71 1.18 0.71 0.71
21 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.08 0.44 0.44 0.44 0.44 0.08 0.44 0.44 0.44
22 0.14 0.59 0.14 -0.52 0.59 0.59 0.14 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.14 0.14 0.59
23 -0.52 0.59 -0.52 0.59 0.59 0.59 -0.52 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
24 1.25 -0.43 -0.43 -0.43 1.25 -0.43 -0.43 -0.43 -0.43 -0.43 -0.43 -0.43 -0.43 -0.43 -0.43 -0.43 -0.43 1.25 -0.43 -0.43
25 0.44 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.44
26 0.47 0.47 0.08 0.47 0.47 0.47 0.08 0.47 0.47 0.47 0.08 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
27 -1.54 -1.54 0.55 -1.54 -1.54 -1.54 -1.54 -1.54 -1.54 -1.54 -1.54 0.55 -1.54 -1.54 -1.54 -1.54 0.55 -1.54 -1.54 0.55
28 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41
29 -0.56 -0.56 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 -0.56 -0.56 0.37 0.37 0.37 0.37 0.37 0.37 0.37
30 0.65 0.65 0.65 0.65 0.65 0.65 0.65 0.65 0.65 0.65 0.65 0.65 0.49 0.65 0.65 0.65 0.65 0.65 0.65 0.65
31 0.71 0.71 0.24 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.24 0.24 0.24 0.71 0.71 0.24 0.71 0.24 0.71
32 -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
33 0.51 0.23 0.51 0.51 0.23 0.51 0.51 0.51 0.51 0.23 0.23 0.51 0.51 0.51 0.23 0.51 0.51 0.51 0.23 0.23
38 0.10 0.52 0.10 0.10 0.52 0.10 0.10 0.52 0.52 0.52 0.10 0.52 0.10 0.52 0.52 0.10 0.52 0.10 0.10 0.52
39 -0.81 -0.81 -0.81 -0.81 0.36 0.36 -0.81 -0.81 -0.81 -0.81 -0.81 -0.81 1.07 -0.81 -0.81 0.36 -0.81 -0.81 -0.81 -0.81
40 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35 -0.83 0.35 0.35 0.35 0.35 0.35 0.35 0.35 0.35
41 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
42 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
43 0.37 0.37 -0.56 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 0.37 1.32 0.37
44 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
45 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55
46 -0.03 -0.03 -0.03 -0.61 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.61 -0.03 -0.03 -0.03 -0.03 -0.61 -0.61 -0.03 -0.03
47 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
48 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.55 0.08 0.08 0.08 0.08 0.08 0.08 0.08
49 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
50 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.65 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
51 1.50 1.50 1.50 1.50 1.07 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.50 1.07 1.50 1.50 1.50 1.50
52 0.84 0.84 0.84 0.84 0.84 0.84 0.84 0.19 0.84 0.84 0.19 0.84 0.84 0.84 0.84 0.19 0.84 0.84 0.84 0.19
53 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
54 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 0.79 0.95 0.95
55 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
56 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07
57 0.51 0.51 0.51 0.51 0.51 0.51 0.51 -0.26 0.51 0.51 0.51 0.51 0.41 -0.26 0.51 0.51 0.51 -0.26 0.51 0.51
58 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.28 0.04 0.04
59 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29
60 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
61 0.51 0.51 0.51 0.51 0.51 0.23 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
62 1.04 1.04 1.04 1.04 0.71 1.04 1.04 1.04 1.04 1.04 1.04 0.71 1.04 1.04 1.04 1.04 0.71 0.71 1.04 1.04
63 0.28 0.28 0.28 0.28 0.28 0.04 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
64 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
65 0.47 0.47 -0.10 0.47 0.08 0.47 0.47 0.47 0.47 0.08 0.47 0.47 0.47 0.47 0.47 0.47 0.08 0.47 0.47 0.47
66 0.47 0.47 -0.10 -0.10 0.47 -0.10 -0.10 -0.10 -0.10 0.47 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 0.47 -0.10 0.47 -0.10
67 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
68 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 -1.97 0.34 0.34 -2.63 -1.97 -1.97
69 -0.35 -0.35 0.09 0.26 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35
70 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
71 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41
72 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
73 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
74 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
75 -0.30 1.09 1.09 -0.30 1.09 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 -0.30 1.09 1.09 1.09 -0.30 -0.30 -0.30
76 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 1.18 1.18 1.18 1.18 1.18 1.18 1.18
77 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55
78 0.10 -0.12 -0.12 -0.12 -0.12 -0.12 0.10 0.10 -0.12 -0.12 0.10 -0.12 0.10 0.10 0.10 0.10 0.10 -0.12 0.10 -0.12
83 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 -0.81 0.14 0.14 -0.81 0.14 0.14 0.14 0.36 0.36 0.14 0.14 -0.81
84 -0.42 -0.42 0.41 -0.42 -0.42 -0.42 -0.42 0.41 -0.42 -0.42 -0.42 -0.42 -0.20 -0.42 -0.42 0.41 -0.42 0.41 0.41 0.41
85 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
86 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
87 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
88 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03
89 0.01 0.01 0.01 0.01 0.01 0.01 0.01 0.01 0.01 0.01 0.01 0.01 0.01 0.01 0.01 0.01 0.01 0.01 0.01 0.01
90 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
91 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
92 0.26 1.50 0.26 1.07 1.50 1.07 1.07 0.26 1.07 0.26 1.07 1.50 0.26 1.07 0.26 1.07 1.07 1.07 0.26 1.07
93 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94
94 0.28 0.28 0.28 0.28 0.28 0.04 0.04 0.28 0.04 0.04 0.04 -0.59 0.04 0.28 0.04 0.28 0.04 0.28 0.04 0.04
#Reported_Model_Average 0.500 0.532 0.515 0.495 0.559 0.515 0.488 0.490 0.499 0.504 0.494 0.480 0.514 0.505 0.492 0.544 0.540 0.486 0.486 0.498
#Overall_Average_Reported 0.507
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
2.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
3.000 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
4.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
5.000 1 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 1 0
6.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0
7.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
8.000 1 0 1 0 0 0 1 0 1 1 1 0 1 0 1 0 0 0 0 0
9.000 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0
10.000 1 1 0 0 0 0 1 0 1 2 0 0 1 0 1 0 2 0 1 0
11.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
12.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
13.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
14.000 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
15.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0
16.000 0 0 1 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 1 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 1 0 0
21.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
22.000 0 0 0 0 0 0 0 0 0 0 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 1 0
24.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0
25.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
26.000 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0
27.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
28.000 1 1 1 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 1 0 0 0
32.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
33.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0
38.000 1 1 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0
39.000 2 2 2 0 0 0 1 2 0 6 0 0 0 2 0 6 2 0 2 2
40.000 0 1 0 0 0 0 0 1 1 1 0 1 0 1 1 0 2 0 0 0
41.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
42.000 2 2 0 2 0 2 0 2 2 0 0 2 2 2 0 2 0 1 3 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 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1
45.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
46.000 1 0 0 2 0 0 1 0 0 0 0 0 1 0 0 0 0 0 1 0
47.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
48.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0
49.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0
52.000 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0
53.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
54.000 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0
55.000 0 1 0 0 0 0 0 1 1 1 0 1 0 1 1 1 1 0 0 0
56.000 0 0 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0
57.000 0 0 0 0 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0
58.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
59.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
62.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0
63.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
64.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
65.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
66.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
67.000 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0
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 1 0 0 0 0 0 0 0 0 0 0 1
73.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0
74.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
75.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
76.000 1 0 0 0 1 0 1 0 1 1 1 0 1 1 1 1 0 0 0 1
77.000 1 1 0 0 0 0 1 0 1 1 0 0 1 0 1 0 1 0 1 0
78.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
83.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0
84.000 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0
85.000 0 2 2 0 1 2 0 0 0 0 0 0 0 3 0 1 2 0 1 1
86.000 0 0 0 1 0 1 0 0 1 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 0 0 0 0 0 0 0
88.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
89.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 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 1 0 0 0 0 0 0 0 0 0 0
94.000 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0
#Reported_Model_Average 0.188 0.141 0.094 0.071 0.071 0.071 0.094 0.094 0.141 0.212 0.071 0.094 0.094 0.118 0.094 0.141 0.212 0.047 0.188 0.071
#Overall_Average_Reported 0.115
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1528:A 77 LYS HA :A 10 PRO HA : -0.532: 0
: 1528:A 39 LEU 3HD2 :A 39 LEU C : -0.492: 0
: 1528:A 38 GLN 2HG :A 28 GLU 1HG : -0.477: 0
: 1528:A 42 LEU N :A 42 LEU 3HD2 : -0.439: 0
: 1528:A 8 LEU 2HB :A 76 VAL 1HG1 : -0.434: 0
: 1528:A 84 GLU 1HG :A 52 ARG 2HB : -0.433: 0
: 1528:A 81 SER 2HB :A 80 TYR O : -0.427: 0
: 1528:A 14 GLY 2HA :A 3 TYR CE2 : -0.424: 0
: 1528:A 46 ASP 2HB :A 5 ILE 2HD1 : -0.409: 0
#sum2 ::5.89 clashscore : 5.89 clashscore B<40
#summary::1528 atoms:1528 atoms B<40:171147 potential dots:10700.0 A^2:9 bumps:9 bumps B<40:504.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1528:A 77 LYS HA :A 10 PRO HA : -0.517: 0
: 1528:A 85 ILE O :A 85 ILE 3HG2 : -0.478: 0
: 1528:A 39 LEU 3HD2 :A 39 LEU C : -0.477: 0
: 1528:A 42 LEU C :A 42 LEU 2HD1 : -0.469: 0
: 1528:A 38 GLN 1HG :A 28 GLU 1HG : -0.415: 0
: 1528:A 40 LYS 2HB :A 55 LEU 1HB : -0.405: 0
#sum2 ::3.93 clashscore : 3.93 clashscore B<40
#summary::1528 atoms:1528 atoms B<40:171236 potential dots:10700.0 A^2:6 bumps:6 bumps B<40:494.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1528:A 16 ILE 1HG2 :A 8 LEU 1HD1 : -0.431: 0
: 1528:A 85 ILE O :A 85 ILE 3HG2 : -0.429: 0
: 1528:A 39 LEU 3HD2 :A 39 LEU C : -0.422: 0
: 1528:A 38 GLN 1HG :A 28 GLU 1HG : -0.401: 0
#sum2 ::2.62 clashscore : 2.62 clashscore B<40
#summary::1528 atoms:1528 atoms B<40:170998 potential dots:10690.0 A^2:4 bumps:4 bumps B<40:535.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1528:A 42 LEU C :A 42 LEU 2HD1 : -0.481: 0
: 1528:A 86 SER HG :A 56 TRP HE1 : -0.416: 0
: 1528:A 46 ASP OD1 :A 46 ASP C : -0.405: 0
#sum2 ::1.96 clashscore : 1.96 clashscore B<40
#summary::1528 atoms:1528 atoms B<40:171084 potential dots:10690.0 A^2:3 bumps:3 bumps B<40:512.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1528:A 56 TRP O :A 57 ASN 1HB : -0.485: 0
: 1528:A 85 ILE 1HG1 :A 76 VAL 2HG2 : -0.453: 0
: 1528:A 19 GLU HA :A 69 ILE HA : -0.405: 0
#sum2 ::1.96 clashscore : 1.96 clashscore B<40
#summary::1528 atoms:1528 atoms B<40:170976 potential dots:10690.0 A^2:3 bumps:3 bumps B<40:504.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1528:A 42 LEU C :A 42 LEU 2HD1 : -0.484: 0
: 1528:A 85 ILE O :A 85 ILE 3HG2 : -0.438: 0
: 1528:A 81 SER 2HB :A 80 TYR O : -0.422: 0
: 1528:A 86 SER HG :A 56 TRP HE1 : -0.411: 0
#sum2 ::2.62 clashscore : 2.62 clashscore B<40
#summary::1528 atoms:1528 atoms B<40:171165 potential dots:10700.0 A^2:4 bumps:4 bumps B<40:493.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1528:A 77 LYS HA :A 10 PRO HA : -0.490: 0
: 1528:A 8 LEU 2HB :A 76 VAL 1HG1 : -0.478: 0
: 1528:A 97 LEU C :A 97 LEU 2HD1 : -0.430: 0
: 1528:A 46 ASP 2HB :A 5 ILE 2HD1 : -0.418: 0
: 1528:A 39 LEU 1HD1 :A 54 THR 3HG2 : -0.410: 0
#sum2 ::3.27 clashscore : 3.27 clashscore B<40
#summary::1528 atoms:1528 atoms B<40:171213 potential dots:10700.0 A^2:5 bumps:5 bumps B<40:515 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1528:A 42 LEU C :A 42 LEU 2HD1 : -0.504: 0
: 1528:A 26 LYS 2HG :A 26 LYS O : -0.457: 0
: 1528:A 40 LYS 2HB :A 55 LEU 1HB : -0.444: 0
: 1528:A 39 LEU 3HD2 :A 39 LEU C : -0.437: 0
#sum2 ::2.62 clashscore : 2.62 clashscore B<40
#summary::1528 atoms:1528 atoms B<40:171114 potential dots:10690.0 A^2:4 bumps:4 bumps B<40:482.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1528:A 42 LEU C :A 42 LEU 2HD1 : -0.455: 0
: 1528:A 77 LYS HA :A 10 PRO HA : -0.441: 0
: 1528:A 8 LEU 2HB :A 76 VAL 1HG1 : -0.431: 0
: 1528:A 44 LEU 1HD1 :A 72 VAL 1HG2 : -0.416: 0
: 1528:A 86 SER HG :A 56 TRP HE1 : -0.414: 0
: 1528:A 40 LYS 2HB :A 55 LEU 1HB : -0.406: 0
#sum2 ::3.93 clashscore : 3.93 clashscore B<40
#summary::1528 atoms:1528 atoms B<40:171067 potential dots:10690.0 A^2:6 bumps:6 bumps B<40:521.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1528:A 39 LEU 2HD1 :A 39 LEU C : -0.657: 0
: 1528:A 39 LEU 2HD1 :A 39 LEU O : -0.586: 0
: 1528:A 39 LEU C :A 39 LEU CD1 : -0.429: 0
: 1528:A 38 GLN 1HG :A 28 GLU 1HG : -0.514: 0
: 1528:A 77 LYS HA :A 10 PRO HA : -0.503: 0
: 1528:A 10 PRO 1HD :A 9 MET 1HB : -0.461: 0
: 1528:A 93 ILE 2HG2 :A 94 GLU 2HG : -0.440: 0
: 1528:A 8 LEU 2HB :A 76 VAL 1HG1 : -0.432: 0
: 1528:A 40 LYS 2HB :A 55 LEU 1HB : -0.422: 0
#sum2 ::5.89 clashscore : 5.89 clashscore B<40
#summary::1528 atoms:1528 atoms B<40:170911 potential dots:10680.0 A^2:9 bumps:9 bumps B<40:456.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1528:A 8 LEU 2HB :A 76 VAL 1HG1 : -0.468: 0
: 1528:A 69 ILE HB :A 94 GLU H : -0.461: 0
: 1528:A 38 GLN 1HB :A 57 ASN HA : -0.409: 0
#sum2 ::1.96 clashscore : 1.96 clashscore B<40
#summary::1528 atoms:1528 atoms B<40:171026 potential dots:10690.0 A^2:3 bumps:3 bumps B<40:513 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1528:A 40 LYS 2HB :A 55 LEU 1HB : -0.449: 0
: 1528:A 42 LEU C :A 42 LEU 2HD1 : -0.441: 0
: 1528:A 38 GLN 1HB :A 57 ASN HA : -0.436: 0
: 1528:A 84 GLU HA :A 52 ARG O : -0.411: 0
#sum2 ::2.62 clashscore : 2.62 clashscore B<40
#summary::1528 atoms:1528 atoms B<40:170978 potential dots:10690.0 A^2:4 bumps:4 bumps B<40:515 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1528:A 42 LEU N :A 42 LEU 3HD2 : -0.435: 0
: 1528:A 77 LYS HA :A 10 PRO HA : -0.431: 0
: 1528:A 8 LEU 2HB :A 76 VAL 1HG1 : -0.422: 0
: 1528:A 46 ASP 2HB :A 5 ILE 2HD1 : -0.400: 0
#sum2 ::2.62 clashscore : 2.62 clashscore B<40
#summary::1528 atoms:1528 atoms B<40:171141 potential dots:10700.0 A^2:4 bumps:4 bumps B<40:500.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1528:A 42 LEU C :A 42 LEU 2HD1 : -0.491: 0
: 1528:A 85 ILE O :A 85 ILE 3HG2 : -0.471: 0
: 1528:A 85 ILE HB :A 76 VAL 2HG2 : -0.406: 0
: 1528:A 97 LEU C :A 97 LEU 2HD1 : -0.445: 0
: 1528:A 39 LEU 3HD2 :A 39 LEU C : -0.442: 0
: 1528:A 40 LYS 2HB :A 55 LEU 1HB : -0.423: 0
#sum2 ::3.93 clashscore : 3.93 clashscore B<40
#summary::1528 atoms:1528 atoms B<40:171264 potential dots:10700.0 A^2:6 bumps:6 bumps B<40:503.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1528:A 73 SER HA :A 15 THR HA : -0.433: 0
: 1528:A 97 LEU N :A 97 LEU 3HD2 : -0.421: 0
: 1528:A 77 LYS HA :A 10 PRO HA : -0.409: 0
: 1528:A 8 LEU 2HB :A 76 VAL 1HG1 : -0.408: 0
: 1528:A 40 LYS 2HB :A 55 LEU 1HB : -0.408: 0
#sum2 ::3.27 clashscore : 3.27 clashscore B<40
#summary::1528 atoms:1528 atoms B<40:171119 potential dots:10690.0 A^2:5 bumps:5 bumps B<40:482 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1528:A 39 LEU 2HD1 :A 39 LEU O : -0.651: 0
: 1528:A 39 LEU 2HD1 :A 39 LEU C : -0.650: 0
: 1528:A 39 LEU C :A 39 LEU CD1 : -0.453: 0
: 1528:A 42 LEU C :A 42 LEU 2HD1 : -0.460: 0
: 1528:A 85 ILE 1HG1 :A 76 VAL 2HG2 : -0.426: 0
: 1528:A 55 LEU 3HD1 :A 62 PHE 2HB : -0.408: 0
#sum2 ::3.93 clashscore : 3.93 clashscore B<40
#summary::1528 atoms:1528 atoms B<40:171056 potential dots:10690.0 A^2:6 bumps:6 bumps B<40:525.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1528:A 39 LEU 3HD2 :A 39 LEU C : -0.507: 0
: 1528:A 6 SER 1HB :A 48 THR HB : -0.454: 0
: 1528:A 31 ARG 1HG :A 33 ASP H : -0.440: 0
: 1528:A 40 LYS 2HB :A 55 LEU 1HB : -0.439: 0
: 1528:A 40 LYS 2HG :A 24 TYR O : -0.408: 0
: 1528:A 10 PRO 1HD :A 9 MET 1HB : -0.424: 0
: 1528:A 77 LYS HA :A 10 PRO HA : -0.417: 0
: 1528:A 85 ILE N :A 85 ILE 2HD1 : -0.419: 0
: 1528:A 44 LEU 1HB :A 51 ILE 2HG1 : -0.400: 0
#sum2 ::5.89 clashscore : 5.89 clashscore B<40
#summary::1528 atoms:1528 atoms B<40:171054 potential dots:10690.0 A^2:9 bumps:9 bumps B<40:478.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1528:A 42 LEU 1HD1 :A 20 VAL 3HG1 : -0.470: 0
: 1528:A 73 SER HA :A 15 THR HA : -0.401: 0
#sum2 ::1.31 clashscore : 1.31 clashscore B<40
#summary::1528 atoms:1528 atoms B<40:171178 potential dots:10700.0 A^2:2 bumps:2 bumps B<40:507.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1528:A 39 LEU 3HD2 :A 39 LEU C : -0.448: 0
: 1528:A 42 LEU C :A 42 LEU 2HD1 : -0.426: 0
: 1528:A 42 LEU HA :A 23 ALA HA : -0.407: 0
: 1528:A 83 LEU N :A 83 LEU 2HD2 : -0.424: 0
: 1528:A 85 ILE HB :A 51 ILE 1HD1 : -0.423: 0
: 1528:A 77 LYS HA :A 10 PRO HA : -0.415: 0
: 1528:A 46 ASP 2HB :A 5 ILE 2HD1 : -0.414: 0
: 1528:A 84 GLU HA :A 52 ARG O : -0.407: 0
#sum2 ::5.24 clashscore : 5.24 clashscore B<40
#summary::1528 atoms:1528 atoms B<40:171195 potential dots:10700.0 A^2:8 bumps:8 bumps B<40:482.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1528:A 85 ILE 1HG1 :A 76 VAL 2HG2 : -0.463: 0
: 1528:A 44 LEU 1HD1 :A 72 VAL 1HG2 : -0.448: 0
: 1528:A 39 LEU 3HD2 :A 39 LEU C : -0.433: 0
#sum2 ::1.96 clashscore : 1.96 clashscore B<40
#summary::1528 atoms:1528 atoms B<40:171157 potential dots:10700.0 A^2:3 bumps:3 bumps B<40:529.6 score
Output from PDB validation software
Summary from PDB validation
May. 10, 12:47:38 2013
[ Text modified to reflect that this was run under PSVS - Aneerban Bhattacharya: Dec 2005 ]
The following checks were made on :
-----------------------------------------
CLOSE CONTACTS
==> Distances smaller than 2.2 Angstroms are considered as close contacts
for heavy atoms, 1.6 Angstroms for hydrogens.
none
DISTANCES AND ANGLES
We have checked your intra and intermolecular distances and angles with the
procedures currently in place at PDB:
==> Bond and angle checks are performed by first computing the average rms
error for all bonds and angles relative to standard values for nucleotide
units [L. Clowney et al., Geometric Parameters in Nucleic Acids: Nitrogenous
Bases, J.Am.Chem.Soc. 1996, 118, 509-518; A. Gelbin et al., Geometric
Parameters in Nucleic Acids: Sugar and Phosphate Constituents, J.Am.Chem.Soc.
1996, 118, 519-529] and amino acid units [R.A. Engh and R. Huber, Accurate
Bond and Angle Parameters for X-ray protein structure refinement, Acta
Crystallogr. 1991, A47, 392-400]. Any bond or angle which deviates from the
dictionary values by more than six times this computed rms error is
identified as an outlier.
*** Covalent Bond Lengths:
The RMS deviation for covalent bonds relative to the standard
dictionary is 0.011 Angstroms
All covalent bonds lie within a 6.0*RMSD range about the
standard dictionary values.
*** Covalent Angle Values:
The RMS deviation for covalent angles relative to the standard
dictionary is 0.6 degrees.
All covalent bond angles lie within a 6.0*RMSD range about the
standard dictionary values.
TORSION ANGLES
The torsion angle distributions have been checked. The postscript file of the
conformation rings showing the torsion angle distributions will be sent in a
separate E-mail message.
CHIRALITY
The chirality has been checked. O1P, O2P, and hydrogen atoms which do not
follow the convention defined in the IUBMB (Liebecq, C. Compendium of
Biochemical Nomenclature and Related Documents, 2nd ed.; Portland Press:
London and Chapel Hill, 1992) and IUPAC nomenclature (J.L. Markley, A. Bax,
Y. Arata, C.W. Hilbers, R. Kaptein, B.D. Sykes, P.E. Wright and K. Wüthrich,
Recommendations for the Presentation of NMR Structures of Proteins and
Nucleic Acids, Pure & Appl. Chem., Vol. 70, pp. 117-142, 1998) have been
standardized. Any other stereochemical violations are listed below.
E/Z NOMENCLATURE
E/Z nomenclature of hydrogens and/or nitrogens on Arg, Asn or Gln residues needs
to be corrected to conform with the standard for E/Z orientation presented in
[J.L. Markley, et al., Recommendations for the Presentation of NMR Structures of
Proteins and Nucleic Acids, Pure & Appl. Chem., 1998, 70, 117-142].
Model Chain Residue Residue Atom Name Original
Name Number Atom Name
----- ----- ------- ------- -------- ---------
1 A ASN 2 1HD2
1 A ASN 2 2HD2
1 A ASN 11 1HD2
1 A ASN 11 2HD2
1 A ASN 17 1HD2
1 A ASN 17 2HD2
1 A GLN 38 1HE2
1 A GLN 38 2HE2
1 A ASN 57 1HD2
1 A ASN 57 2HD2
1 A GLN 78 1HE2
1 A GLN 78 2HE2
1 A ASN 89 1HD2
1 A ASN 89 2HD2
2 A ASN 2 1HD2
2 A ASN 2 2HD2
2 A ASN 11 1HD2
2 A ASN 11 2HD2
2 A ASN 17 1HD2
2 A ASN 17 2HD2
2 A GLN 38 1HE2
2 A GLN 38 2HE2
2 A ASN 57 1HD2
2 A ASN 57 2HD2
2 A GLN 78 1HE2
2 A GLN 78 2HE2
2 A ASN 89 1HD2
2 A ASN 89 2HD2
3 A ASN 2 1HD2
3 A ASN 2 2HD2
3 A ASN 11 1HD2
3 A ASN 11 2HD2
3 A ASN 17 1HD2
3 A ASN 17 2HD2
3 A GLN 38 1HE2
3 A GLN 38 2HE2
3 A ASN 57 1HD2
3 A ASN 57 2HD2
3 A GLN 78 1HE2
3 A GLN 78 2HE2
3 A ASN 89 1HD2
3 A ASN 89 2HD2
4 A ASN 2 1HD2
4 A ASN 2 2HD2
4 A ASN 11 1HD2
4 A ASN 11 2HD2
4 A ASN 17 1HD2
4 A ASN 17 2HD2
4 A GLN 38 1HE2
4 A GLN 38 2HE2
4 A ASN 57 1HD2
4 A ASN 57 2HD2
4 A GLN 78 1HE2
4 A GLN 78 2HE2
4 A ASN 89 1HD2
4 A ASN 89 2HD2
5 A ASN 2 1HD2
5 A ASN 2 2HD2
5 A ASN 11 1HD2
5 A ASN 11 2HD2
5 A ASN 17 1HD2
5 A ASN 17 2HD2
5 A GLN 38 1HE2
5 A GLN 38 2HE2
5 A ASN 57 1HD2
5 A ASN 57 2HD2
5 A GLN 78 1HE2
5 A GLN 78 2HE2
5 A ASN 89 1HD2
5 A ASN 89 2HD2
6 A ASN 2 1HD2
6 A ASN 2 2HD2
6 A ASN 11 1HD2
6 A ASN 11 2HD2
6 A ASN 17 1HD2
6 A ASN 17 2HD2
6 A GLN 38 1HE2
6 A GLN 38 2HE2
6 A ASN 57 1HD2
6 A ASN 57 2HD2
6 A GLN 78 1HE2
6 A GLN 78 2HE2
6 A ASN 89 1HD2
6 A ASN 89 2HD2
7 A ASN 2 1HD2
7 A ASN 2 2HD2
7 A ASN 11 1HD2
7 A ASN 11 2HD2
7 A ASN 17 1HD2
7 A ASN 17 2HD2
7 A GLN 38 1HE2
7 A GLN 38 2HE2
7 A ASN 57 1HD2
7 A ASN 57 2HD2
7 A GLN 78 1HE2
7 A GLN 78 2HE2
7 A ASN 89 1HD2
7 A ASN 89 2HD2
8 A ASN 2 1HD2
8 A ASN 2 2HD2
8 A ASN 11 1HD2
8 A ASN 11 2HD2
8 A ASN 17 1HD2
8 A ASN 17 2HD2
8 A GLN 38 1HE2
8 A GLN 38 2HE2
8 A ASN 57 1HD2
8 A ASN 57 2HD2
8 A GLN 78 1HE2
8 A GLN 78 2HE2
8 A ASN 89 1HD2
8 A ASN 89 2HD2
9 A ASN 2 1HD2
9 A ASN 2 2HD2
9 A ASN 11 1HD2
9 A ASN 11 2HD2
9 A ASN 17 1HD2
9 A ASN 17 2HD2
9 A GLN 38 1HE2
9 A GLN 38 2HE2
9 A ASN 57 1HD2
9 A ASN 57 2HD2
9 A GLN 78 1HE2
9 A GLN 78 2HE2
9 A ASN 89 1HD2
9 A ASN 89 2HD2
10 A ASN 2 1HD2
10 A ASN 2 2HD2
10 A ASN 11 1HD2
10 A ASN 11 2HD2
10 A ASN 17 1HD2
10 A ASN 17 2HD2
10 A GLN 38 1HE2
10 A GLN 38 2HE2
10 A ASN 57 1HD2
10 A ASN 57 2HD2
10 A GLN 78 1HE2
10 A GLN 78 2HE2
10 A ASN 89 1HD2
10 A ASN 89 2HD2
11 A ASN 2 1HD2
11 A ASN 2 2HD2
11 A ASN 11 1HD2
11 A ASN 11 2HD2
11 A ASN 17 1HD2
11 A ASN 17 2HD2
11 A GLN 38 1HE2
11 A GLN 38 2HE2
11 A ASN 57 1HD2
11 A ASN 57 2HD2
11 A GLN 78 1HE2
11 A GLN 78 2HE2
11 A ASN 89 1HD2
11 A ASN 89 2HD2
12 A ASN 2 1HD2
12 A ASN 2 2HD2
12 A ASN 11 1HD2
12 A ASN 11 2HD2
12 A ASN 17 1HD2
12 A ASN 17 2HD2
12 A GLN 38 1HE2
12 A GLN 38 2HE2
12 A ASN 57 1HD2
12 A ASN 57 2HD2
12 A GLN 78 1HE2
12 A GLN 78 2HE2
12 A ASN 89 1HD2
12 A ASN 89 2HD2
13 A ASN 2 1HD2
13 A ASN 2 2HD2
13 A ASN 11 1HD2
13 A ASN 11 2HD2
13 A ASN 17 1HD2
13 A ASN 17 2HD2
13 A GLN 38 1HE2
13 A GLN 38 2HE2
13 A ASN 57 1HD2
13 A ASN 57 2HD2
13 A GLN 78 1HE2
13 A GLN 78 2HE2
13 A ASN 89 1HD2
13 A ASN 89 2HD2
14 A ASN 2 1HD2
14 A ASN 2 2HD2
14 A ASN 11 1HD2
14 A ASN 11 2HD2
14 A ASN 17 1HD2
14 A ASN 17 2HD2
14 A GLN 38 1HE2
14 A GLN 38 2HE2
14 A ASN 57 1HD2
14 A ASN 57 2HD2
14 A GLN 78 1HE2
14 A GLN 78 2HE2
14 A ASN 89 1HD2
14 A ASN 89 2HD2
15 A ASN 2 1HD2
15 A ASN 2 2HD2
15 A ASN 11 1HD2
15 A ASN 11 2HD2
15 A ASN 17 1HD2
15 A ASN 17 2HD2
15 A GLN 38 1HE2
15 A GLN 38 2HE2
15 A ASN 57 1HD2
15 A ASN 57 2HD2
15 A GLN 78 1HE2
15 A GLN 78 2HE2
15 A ASN 89 1HD2
15 A ASN 89 2HD2
16 A ASN 2 1HD2
16 A ASN 2 2HD2
16 A ASN 11 1HD2
16 A ASN 11 2HD2
16 A ASN 17 1HD2
16 A ASN 17 2HD2
16 A GLN 38 1HE2
16 A GLN 38 2HE2
16 A ASN 57 1HD2
16 A ASN 57 2HD2
16 A GLN 78 1HE2
16 A GLN 78 2HE2
16 A ASN 89 1HD2
16 A ASN 89 2HD2
17 A ASN 2 1HD2
17 A ASN 2 2HD2
17 A ASN 11 1HD2
17 A ASN 11 2HD2
17 A ASN 17 1HD2
17 A ASN 17 2HD2
17 A GLN 38 1HE2
17 A GLN 38 2HE2
17 A ASN 57 1HD2
17 A ASN 57 2HD2
17 A GLN 78 1HE2
17 A GLN 78 2HE2
17 A ASN 89 1HD2
17 A ASN 89 2HD2
18 A ASN 2 1HD2
18 A ASN 2 2HD2
18 A ASN 11 1HD2
18 A ASN 11 2HD2
18 A ASN 17 1HD2
18 A ASN 17 2HD2
18 A GLN 38 1HE2
18 A GLN 38 2HE2
18 A ASN 57 1HD2
18 A ASN 57 2HD2
18 A GLN 78 1HE2
18 A GLN 78 2HE2
18 A ASN 89 1HD2
18 A ASN 89 2HD2
19 A ASN 2 1HD2
19 A ASN 2 2HD2
19 A ASN 11 1HD2
19 A ASN 11 2HD2
19 A ASN 17 1HD2
19 A ASN 17 2HD2
19 A GLN 38 1HE2
19 A GLN 38 2HE2
19 A ASN 57 1HD2
19 A ASN 57 2HD2
19 A GLN 78 1HE2
19 A GLN 78 2HE2
19 A ASN 89 1HD2
19 A ASN 89 2HD2
20 A ASN 2 1HD2
20 A ASN 2 2HD2
20 A ASN 11 1HD2
20 A ASN 11 2HD2
20 A ASN 17 1HD2
20 A ASN 17 2HD2
20 A GLN 38 1HE2
20 A GLN 38 2HE2
20 A ASN 57 1HD2
20 A ASN 57 2HD2
20 A GLN 78 1HE2
20 A GLN 78 2HE2
20 A ASN 89 1HD2
20 A ASN 89 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 -97 )
ASN( 1 A -96 )
TYR( 1 A -95 )
LYS( 1 A -94 )
ILE( 1 A -93 )
SER( 1 A -92 )
GLU( 1 A -91 )
LEU( 1 A -90 )
MET( 1 A -89 )
PRO( 1 A -88 )
ASN( 1 A -87 )
LEU( 1 A -86 )
SER( 1 A -85 )
GLY( 1 A -84 )
THR( 1 A -83 )
ILE( 1 A -82 )
ASN( 1 A -81 )
ALA( 1 A -80 )
GLU( 1 A -79 )
VAL( 1 A -78 )
VAL( 1 A -77 )
ALA( 1 A -76 )
ALA( 1 A -75 )
TYR( 1 A -74 )
PRO( 1 A -73 )
LYS( 1 A -72 )
LYS( 1 A -71 )
GLU( 1 A -70 )
PHE( 1 A -69 )
SER( 1 A -68 )
ARG( 1 A -67 )
LYS( 1 A -66 )
ASP( 1 A -65 )
GLY( 1 A -64 )
THR( 1 A -63 )
LYS( 1 A -62 )
GLY( 1 A -61 )
GLN( 1 A -60 )
LEU( 1 A -59 )
LYS( 1 A -58 )
SER( 1 A -57 )
LEU( 1 A -56 )
PHE( 1 A -55 )
LEU( 1 A -54 )
LYS( 1 A -53 )
ASP( 1 A -52 )
ASP( 1 A -51 )
THR( 1 A -50 )
GLY( 1 A -49 )
SER( 1 A -48 )
ILE( 1 A -47 )
ARG( 1 A -46 )
GLY( 1 A -45 )
THR( 1 A -44 )
LEU( 1 A -43 )
TRP( 1 A -42 )
ASN( 1 A -41 )
GLU( 1 A -40 )
LEU( 1 A -39 )
ALA( 1 A -38 )
ASP( 1 A -37 )
PHE( 1 A -36 )
GLU( 1 A -35 )
VAL( 1 A -34 )
LYS( 1 A -33 )
LYS( 1 A -32 )
GLY( 1 A -31 )
ASP( 1 A -30 )
ILE( 1 A -29 )
ALA( 1 A -28 )
GLU( 1 A -27 )
VAL( 1 A -26 )
SER( 1 A -25 )
GLY( 1 A -24 )
TYR( 1 A -23 )
VAL( 1 A -22 )
LYS( 1 A -21 )
GLN( 1 A -20 )
GLY( 1 A -19 )
TYR( 1 A -18 )
SER( 1 A -17 )
GLY( 1 A -16 )
LEU( 1 A -15 )
GLU( 1 A -14 )
ILE( 1 A -13 )
SER( 1 A -12 )
VAL( 1 A -11 )
ASP( 1 A -10 )
ASN( 1 A -9 )
ILE( 1 A -8 )
GLY( 1 A -7 )
ILE( 1 A -6 )
ILE( 1 A -5 )
GLU( 1 A -4 )
LYS( 1 A -3 )
SER( 1 A -2 )
LEU( 1 A -1 )
GLU( 1 A 0 )
MET( 2 A -97 )
ASN( 2 A -96 )
TYR( 2 A -95 )
LYS( 2 A -94 )
ILE( 2 A -93 )
SER( 2 A -92 )
GLU( 2 A -91 )
LEU( 2 A -90 )
MET( 2 A -89 )
PRO( 2 A -88 )
ASN( 2 A -87 )
LEU( 2 A -86 )
SER( 2 A -85 )
GLY( 2 A -84 )
THR( 2 A -83 )
ILE( 2 A -82 )
ASN( 2 A -81 )
ALA( 2 A -80 )
GLU( 2 A -79 )
VAL( 2 A -78 )
VAL( 2 A -77 )
ALA( 2 A -76 )
ALA( 2 A -75 )
TYR( 2 A -74 )
PRO( 2 A -73 )
LYS( 2 A -72 )
LYS( 2 A -71 )
GLU( 2 A -70 )
PHE( 2 A -69 )
SER( 2 A -68 )
ARG( 2 A -67 )
LYS( 2 A -66 )
ASP( 2 A -65 )
GLY( 2 A -64 )
THR( 2 A -63 )
LYS( 2 A -62 )
GLY( 2 A -61 )
GLN( 2 A -60 )
LEU( 2 A -59 )
LYS( 2 A -58 )
SER( 2 A -57 )
LEU( 2 A -56 )
PHE( 2 A -55 )
LEU( 2 A -54 )
LYS( 2 A -53 )
ASP( 2 A -52 )
ASP( 2 A -51 )
THR( 2 A -50 )
GLY( 2 A -49 )
SER( 2 A -48 )
ILE( 2 A -47 )
ARG( 2 A -46 )
GLY( 2 A -45 )
THR( 2 A -44 )
LEU( 2 A -43 )
TRP( 2 A -42 )
ASN( 2 A -41 )
GLU( 2 A -40 )
LEU( 2 A -39 )
ALA( 2 A -38 )
ASP( 2 A -37 )
PHE( 2 A -36 )
GLU( 2 A -35 )
VAL( 2 A -34 )
LYS( 2 A -33 )
LYS( 2 A -32 )
GLY( 2 A -31 )
ASP( 2 A -30 )
ILE( 2 A -29 )
ALA( 2 A -28 )
GLU( 2 A -27 )
VAL( 2 A -26 )
SER( 2 A -25 )
GLY( 2 A -24 )
TYR( 2 A -23 )
VAL( 2 A -22 )
LYS( 2 A -21 )
GLN( 2 A -20 )
GLY( 2 A -19 )
TYR( 2 A -18 )
SER( 2 A -17 )
GLY( 2 A -16 )
LEU( 2 A -15 )
GLU( 2 A -14 )
ILE( 2 A -13 )
SER( 2 A -12 )
VAL( 2 A -11 )
ASP( 2 A -10 )
ASN( 2 A -9 )
ILE( 2 A -8 )
GLY( 2 A -7 )
ILE( 2 A -6 )
ILE( 2 A -5 )
GLU( 2 A -4 )
LYS( 2 A -3 )
SER( 2 A -2 )
LEU( 2 A -1 )
GLU( 2 A 0 )
MET( 3 A -97 )
ASN( 3 A -96 )
TYR( 3 A -95 )
LYS( 3 A -94 )
ILE( 3 A -93 )
SER( 3 A -92 )
GLU( 3 A -91 )
LEU( 3 A -90 )
MET( 3 A -89 )
PRO( 3 A -88 )
ASN( 3 A -87 )
LEU( 3 A -86 )
SER( 3 A -85 )
GLY( 3 A -84 )
THR( 3 A -83 )
ILE( 3 A -82 )
ASN( 3 A -81 )
ALA( 3 A -80 )
GLU( 3 A -79 )
VAL( 3 A -78 )
VAL( 3 A -77 )
ALA( 3 A -76 )
ALA( 3 A -75 )
TYR( 3 A -74 )
PRO( 3 A -73 )
LYS( 3 A -72 )
LYS( 3 A -71 )
GLU( 3 A -70 )
PHE( 3 A -69 )
SER( 3 A -68 )
ARG( 3 A -67 )
LYS( 3 A -66 )
ASP( 3 A -65 )
GLY( 3 A -64 )
THR( 3 A -63 )
LYS( 3 A -62 )
GLY( 3 A -61 )
GLN( 3 A -60 )
LEU( 3 A -59 )
LYS( 3 A -58 )
SER( 3 A -57 )
LEU( 3 A -56 )
PHE( 3 A -55 )
LEU( 3 A -54 )
LYS( 3 A -53 )
ASP( 3 A -52 )
ASP( 3 A -51 )
THR( 3 A -50 )
GLY( 3 A -49 )
SER( 3 A -48 )
ILE( 3 A -47 )
ARG( 3 A -46 )
GLY( 3 A -45 )
THR( 3 A -44 )
LEU( 3 A -43 )
TRP( 3 A -42 )
ASN( 3 A -41 )
GLU( 3 A -40 )
LEU( 3 A -39 )
ALA( 3 A -38 )
ASP( 3 A -37 )
PHE( 3 A -36 )
GLU( 3 A -35 )
VAL( 3 A -34 )
LYS( 3 A -33 )
LYS( 3 A -32 )
GLY( 3 A -31 )
ASP( 3 A -30 )
ILE( 3 A -29 )
ALA( 3 A -28 )
GLU( 3 A -27 )
VAL( 3 A -26 )
SER( 3 A -25 )
GLY( 3 A -24 )
TYR( 3 A -23 )
VAL( 3 A -22 )
LYS( 3 A -21 )
GLN( 3 A -20 )
GLY( 3 A -19 )
TYR( 3 A -18 )
SER( 3 A -17 )
GLY( 3 A -16 )
LEU( 3 A -15 )
GLU( 3 A -14 )
ILE( 3 A -13 )
SER( 3 A -12 )
VAL( 3 A -11 )
ASP( 3 A -10 )
ASN( 3 A -9 )
ILE( 3 A -8 )
GLY( 3 A -7 )
ILE( 3 A -6 )
ILE( 3 A -5 )
GLU( 3 A -4 )
LYS( 3 A -3 )
SER( 3 A -2 )
LEU( 3 A -1 )
GLU( 3 A 0 )
MET( 4 A -97 )
ASN( 4 A -96 )
TYR( 4 A -95 )
LYS( 4 A -94 )
ILE( 4 A -93 )
SER( 4 A -92 )
GLU( 4 A -91 )
LEU( 4 A -90 )
MET( 4 A -89 )
PRO( 4 A -88 )
ASN( 4 A -87 )
LEU( 4 A -86 )
SER( 4 A -85 )
GLY( 4 A -84 )
THR( 4 A -83 )
ILE( 4 A -82 )
ASN( 4 A -81 )
ALA( 4 A -80 )
GLU( 4 A -79 )
VAL( 4 A -78 )
VAL( 4 A -77 )
ALA( 4 A -76 )
ALA( 4 A -75 )
TYR( 4 A -74 )
PRO( 4 A -73 )
LYS( 4 A -72 )
LYS( 4 A -71 )
GLU( 4 A -70 )
PHE( 4 A -69 )
SER( 4 A -68 )
ARG( 4 A -67 )
LYS( 4 A -66 )
ASP( 4 A -65 )
GLY( 4 A -64 )
THR( 4 A -63 )
LYS( 4 A -62 )
GLY( 4 A -61 )
GLN( 4 A -60 )
LEU( 4 A -59 )
LYS( 4 A -58 )
SER( 4 A -57 )
LEU( 4 A -56 )
PHE( 4 A -55 )
LEU( 4 A -54 )
LYS( 4 A -53 )
ASP( 4 A -52 )
ASP( 4 A -51 )
THR( 4 A -50 )
GLY( 4 A -49 )
SER( 4 A -48 )
ILE( 4 A -47 )
ARG( 4 A -46 )
GLY( 4 A -45 )
THR( 4 A -44 )
LEU( 4 A -43 )
TRP( 4 A -42 )
ASN( 4 A -41 )
GLU( 4 A -40 )
LEU( 4 A -39 )
ALA( 4 A -38 )
ASP( 4 A -37 )
PHE( 4 A -36 )
GLU( 4 A -35 )
VAL( 4 A -34 )
LYS( 4 A -33 )
LYS( 4 A -32 )
GLY( 4 A -31 )
ASP( 4 A -30 )
ILE( 4 A -29 )
ALA( 4 A -28 )
GLU( 4 A -27 )
VAL( 4 A -26 )
SER( 4 A -25 )
GLY( 4 A -24 )
TYR( 4 A -23 )
VAL( 4 A -22 )
LYS( 4 A -21 )
GLN( 4 A -20 )
GLY( 4 A -19 )
TYR( 4 A -18 )
SER( 4 A -17 )
GLY( 4 A -16 )
LEU( 4 A -15 )
GLU( 4 A -14 )
ILE( 4 A -13 )
SER( 4 A -12 )
VAL( 4 A -11 )
ASP( 4 A -10 )
ASN( 4 A -9 )
ILE( 4 A -8 )
GLY( 4 A -7 )
ILE( 4 A -6 )
ILE( 4 A -5 )
GLU( 4 A -4 )
LYS( 4 A -3 )
SER( 4 A -2 )
LEU( 4 A -1 )
GLU( 4 A 0 )
MET( 5 A -97 )
ASN( 5 A -96 )
TYR( 5 A -95 )
LYS( 5 A -94 )
ILE( 5 A -93 )
SER( 5 A -92 )
GLU( 5 A -91 )
LEU( 5 A -90 )
MET( 5 A -89 )
PRO( 5 A -88 )
ASN( 5 A -87 )
LEU( 5 A -86 )
SER( 5 A -85 )
GLY( 5 A -84 )
THR( 5 A -83 )
ILE( 5 A -82 )
ASN( 5 A -81 )
ALA( 5 A -80 )
GLU( 5 A -79 )
VAL( 5 A -78 )
VAL( 5 A -77 )
ALA( 5 A -76 )
ALA( 5 A -75 )
TYR( 5 A -74 )
PRO( 5 A -73 )
LYS( 5 A -72 )
LYS( 5 A -71 )
GLU( 5 A -70 )
PHE( 5 A -69 )
SER( 5 A -68 )
ARG( 5 A -67 )
LYS( 5 A -66 )
ASP( 5 A -65 )
GLY( 5 A -64 )
THR( 5 A -63 )
LYS( 5 A -62 )
GLY( 5 A -61 )
GLN( 5 A -60 )
LEU( 5 A -59 )
LYS( 5 A -58 )
SER( 5 A -57 )
LEU( 5 A -56 )
PHE( 5 A -55 )
LEU( 5 A -54 )
LYS( 5 A -53 )
ASP( 5 A -52 )
ASP( 5 A -51 )
THR( 5 A -50 )
GLY( 5 A -49 )
SER( 5 A -48 )
ILE( 5 A -47 )
ARG( 5 A -46 )
GLY( 5 A -45 )
THR( 5 A -44 )
LEU( 5 A -43 )
TRP( 5 A -42 )
ASN( 5 A -41 )
GLU( 5 A -40 )
LEU( 5 A -39 )
ALA( 5 A -38 )
ASP( 5 A -37 )
PHE( 5 A -36 )
GLU( 5 A -35 )
VAL( 5 A -34 )
LYS( 5 A -33 )
LYS( 5 A -32 )
GLY( 5 A -31 )
ASP( 5 A -30 )
ILE( 5 A -29 )
ALA( 5 A -28 )
GLU( 5 A -27 )
VAL( 5 A -26 )
SER( 5 A -25 )
GLY( 5 A -24 )
TYR( 5 A -23 )
VAL( 5 A -22 )
LYS( 5 A -21 )
GLN( 5 A -20 )
GLY( 5 A -19 )
TYR( 5 A -18 )
SER( 5 A -17 )
GLY( 5 A -16 )
LEU( 5 A -15 )
GLU( 5 A -14 )
ILE( 5 A -13 )
SER( 5 A -12 )
VAL( 5 A -11 )
ASP( 5 A -10 )
ASN( 5 A -9 )
ILE( 5 A -8 )
GLY( 5 A -7 )
ILE( 5 A -6 )
ILE( 5 A -5 )
GLU( 5 A -4 )
LYS( 5 A -3 )
SER( 5 A -2 )
LEU( 5 A -1 )
GLU( 5 A 0 )
MET( 6 A -97 )
ASN( 6 A -96 )
TYR( 6 A -95 )
LYS( 6 A -94 )
ILE( 6 A -93 )
SER( 6 A -92 )
GLU( 6 A -91 )
LEU( 6 A -90 )
MET( 6 A -89 )
PRO( 6 A -88 )
ASN( 6 A -87 )
LEU( 6 A -86 )
SER( 6 A -85 )
GLY( 6 A -84 )
THR( 6 A -83 )
ILE( 6 A -82 )
ASN( 6 A -81 )
ALA( 6 A -80 )
GLU( 6 A -79 )
VAL( 6 A -78 )
VAL( 6 A -77 )
ALA( 6 A -76 )
ALA( 6 A -75 )
TYR( 6 A -74 )
PRO( 6 A -73 )
LYS( 6 A -72 )
LYS( 6 A -71 )
GLU( 6 A -70 )
PHE( 6 A -69 )
SER( 6 A -68 )
ARG( 6 A -67 )
LYS( 6 A -66 )
ASP( 6 A -65 )
GLY( 6 A -64 )
THR( 6 A -63 )
LYS( 6 A -62 )
GLY( 6 A -61 )
GLN( 6 A -60 )
LEU( 6 A -59 )
LYS( 6 A -58 )
SER( 6 A -57 )
LEU( 6 A -56 )
PHE( 6 A -55 )
LEU( 6 A -54 )
LYS( 6 A -53 )
ASP( 6 A -52 )
ASP( 6 A -51 )
THR( 6 A -50 )
GLY( 6 A -49 )
SER( 6 A -48 )
ILE( 6 A -47 )
ARG( 6 A -46 )
GLY( 6 A -45 )
THR( 6 A -44 )
LEU( 6 A -43 )
TRP( 6 A -42 )
ASN( 6 A -41 )
GLU( 6 A -40 )
LEU( 6 A -39 )
ALA( 6 A -38 )
ASP( 6 A -37 )
PHE( 6 A -36 )
GLU( 6 A -35 )
VAL( 6 A -34 )
LYS( 6 A -33 )
LYS( 6 A -32 )
GLY( 6 A -31 )
ASP( 6 A -30 )
ILE( 6 A -29 )
ALA( 6 A -28 )
GLU( 6 A -27 )
VAL( 6 A -26 )
SER( 6 A -25 )
GLY( 6 A -24 )
TYR( 6 A -23 )
VAL( 6 A -22 )
LYS( 6 A -21 )
GLN( 6 A -20 )
GLY( 6 A -19 )
TYR( 6 A -18 )
SER( 6 A -17 )
GLY( 6 A -16 )
LEU( 6 A -15 )
GLU( 6 A -14 )
ILE( 6 A -13 )
SER( 6 A -12 )
VAL( 6 A -11 )
ASP( 6 A -10 )
ASN( 6 A -9 )
ILE( 6 A -8 )
GLY( 6 A -7 )
ILE( 6 A -6 )
ILE( 6 A -5 )
GLU( 6 A -4 )
LYS( 6 A -3 )
SER( 6 A -2 )
LEU( 6 A -1 )
GLU( 6 A 0 )
MET( 7 A -97 )
ASN( 7 A -96 )
TYR( 7 A -95 )
LYS( 7 A -94 )
ILE( 7 A -93 )
SER( 7 A -92 )
GLU( 7 A -91 )
LEU( 7 A -90 )
MET( 7 A -89 )
PRO( 7 A -88 )
ASN( 7 A -87 )
LEU( 7 A -86 )
SER( 7 A -85 )
GLY( 7 A -84 )
THR( 7 A -83 )
ILE( 7 A -82 )
ASN( 7 A -81 )
ALA( 7 A -80 )
GLU( 7 A -79 )
VAL( 7 A -78 )
VAL( 7 A -77 )
ALA( 7 A -76 )
ALA( 7 A -75 )
TYR( 7 A -74 )
PRO( 7 A -73 )
LYS( 7 A -72 )
LYS( 7 A -71 )
GLU( 7 A -70 )
PHE( 7 A -69 )
SER( 7 A -68 )
ARG( 7 A -67 )
LYS( 7 A -66 )
ASP( 7 A -65 )
GLY( 7 A -64 )
THR( 7 A -63 )
LYS( 7 A -62 )
GLY( 7 A -61 )
GLN( 7 A -60 )
LEU( 7 A -59 )
LYS( 7 A -58 )
SER( 7 A -57 )
LEU( 7 A -56 )
PHE( 7 A -55 )
LEU( 7 A -54 )
LYS( 7 A -53 )
ASP( 7 A -52 )
ASP( 7 A -51 )
THR( 7 A -50 )
GLY( 7 A -49 )
SER( 7 A -48 )
ILE( 7 A -47 )
ARG( 7 A -46 )
GLY( 7 A -45 )
THR( 7 A -44 )
LEU( 7 A -43 )
TRP( 7 A -42 )
ASN( 7 A -41 )
GLU( 7 A -40 )
LEU( 7 A -39 )
ALA( 7 A -38 )
ASP( 7 A -37 )
PHE( 7 A -36 )
GLU( 7 A -35 )
VAL( 7 A -34 )
LYS( 7 A -33 )
LYS( 7 A -32 )
GLY( 7 A -31 )
ASP( 7 A -30 )
ILE( 7 A -29 )
ALA( 7 A -28 )
GLU( 7 A -27 )
VAL( 7 A -26 )
SER( 7 A -25 )
GLY( 7 A -24 )
TYR( 7 A -23 )
VAL( 7 A -22 )
LYS( 7 A -21 )
GLN( 7 A -20 )
GLY( 7 A -19 )
TYR( 7 A -18 )
SER( 7 A -17 )
GLY( 7 A -16 )
LEU( 7 A -15 )
GLU( 7 A -14 )
ILE( 7 A -13 )
SER( 7 A -12 )
VAL( 7 A -11 )
ASP( 7 A -10 )
ASN( 7 A -9 )
ILE( 7 A -8 )
GLY( 7 A -7 )
ILE( 7 A -6 )
ILE( 7 A -5 )
GLU( 7 A -4 )
LYS( 7 A -3 )
SER( 7 A -2 )
LEU( 7 A -1 )
GLU( 7 A 0 )
MET( 8 A -97 )
ASN( 8 A -96 )
TYR( 8 A -95 )
LYS( 8 A -94 )
ILE( 8 A -93 )
SER( 8 A -92 )
GLU( 8 A -91 )
LEU( 8 A -90 )
MET( 8 A -89 )
PRO( 8 A -88 )
ASN( 8 A -87 )
LEU( 8 A -86 )
SER( 8 A -85 )
GLY( 8 A -84 )
THR( 8 A -83 )
ILE( 8 A -82 )
ASN( 8 A -81 )
ALA( 8 A -80 )
GLU( 8 A -79 )
VAL( 8 A -78 )
VAL( 8 A -77 )
ALA( 8 A -76 )
ALA( 8 A -75 )
TYR( 8 A -74 )
PRO( 8 A -73 )
LYS( 8 A -72 )
LYS( 8 A -71 )
GLU( 8 A -70 )
PHE( 8 A -69 )
SER( 8 A -68 )
ARG( 8 A -67 )
LYS( 8 A -66 )
ASP( 8 A -65 )
GLY( 8 A -64 )
THR( 8 A -63 )
LYS( 8 A -62 )
GLY( 8 A -61 )
GLN( 8 A -60 )
LEU( 8 A -59 )
LYS( 8 A -58 )
SER( 8 A -57 )
LEU( 8 A -56 )
PHE( 8 A -55 )
LEU( 8 A -54 )
LYS( 8 A -53 )
ASP( 8 A -52 )
ASP( 8 A -51 )
THR( 8 A -50 )
GLY( 8 A -49 )
SER( 8 A -48 )
ILE( 8 A -47 )
ARG( 8 A -46 )
GLY( 8 A -45 )
THR( 8 A -44 )
LEU( 8 A -43 )
TRP( 8 A -42 )
ASN( 8 A -41 )
GLU( 8 A -40 )
LEU( 8 A -39 )
ALA( 8 A -38 )
ASP( 8 A -37 )
PHE( 8 A -36 )
GLU( 8 A -35 )
VAL( 8 A -34 )
LYS( 8 A -33 )
LYS( 8 A -32 )
GLY( 8 A -31 )
ASP( 8 A -30 )
ILE( 8 A -29 )
ALA( 8 A -28 )
GLU( 8 A -27 )
VAL( 8 A -26 )
SER( 8 A -25 )
GLY( 8 A -24 )
TYR( 8 A -23 )
VAL( 8 A -22 )
LYS( 8 A -21 )
GLN( 8 A -20 )
GLY( 8 A -19 )
TYR( 8 A -18 )
SER( 8 A -17 )
GLY( 8 A -16 )
LEU( 8 A -15 )
GLU( 8 A -14 )
ILE( 8 A -13 )
SER( 8 A -12 )
VAL( 8 A -11 )
ASP( 8 A -10 )
ASN( 8 A -9 )
ILE( 8 A -8 )
GLY( 8 A -7 )
ILE( 8 A -6 )
ILE( 8 A -5 )
GLU( 8 A -4 )
LYS( 8 A -3 )
SER( 8 A -2 )
LEU( 8 A -1 )
GLU( 8 A 0 )
MET( 9 A -97 )
ASN( 9 A -96 )
TYR( 9 A -95 )
LYS( 9 A -94 )
ILE( 9 A -93 )
SER( 9 A -92 )
GLU( 9 A -91 )
LEU( 9 A -90 )
MET( 9 A -89 )
PRO( 9 A -88 )
ASN( 9 A -87 )
LEU( 9 A -86 )
SER( 9 A -85 )
GLY( 9 A -84 )
THR( 9 A -83 )
ILE( 9 A -82 )
ASN( 9 A -81 )
ALA( 9 A -80 )
GLU( 9 A -79 )
VAL( 9 A -78 )
VAL( 9 A -77 )
ALA( 9 A -76 )
ALA( 9 A -75 )
TYR( 9 A -74 )
PRO( 9 A -73 )
LYS( 9 A -72 )
LYS( 9 A -71 )
GLU( 9 A -70 )
PHE( 9 A -69 )
SER( 9 A -68 )
ARG( 9 A -67 )
LYS( 9 A -66 )
ASP( 9 A -65 )
GLY( 9 A -64 )
THR( 9 A -63 )
LYS( 9 A -62 )
GLY( 9 A -61 )
GLN( 9 A -60 )
LEU( 9 A -59 )
LYS( 9 A -58 )
SER( 9 A -57 )
LEU( 9 A -56 )
PHE( 9 A -55 )
LEU( 9 A -54 )
LYS( 9 A -53 )
ASP( 9 A -52 )
ASP( 9 A -51 )
THR( 9 A -50 )
GLY( 9 A -49 )
SER( 9 A -48 )
ILE( 9 A -47 )
ARG( 9 A -46 )
GLY( 9 A -45 )
THR( 9 A -44 )
LEU( 9 A -43 )
TRP( 9 A -42 )
ASN( 9 A -41 )
GLU( 9 A -40 )
LEU( 9 A -39 )
ALA( 9 A -38 )
ASP( 9 A -37 )
PHE( 9 A -36 )
GLU( 9 A -35 )
VAL( 9 A -34 )
LYS( 9 A -33 )
LYS( 9 A -32 )
GLY( 9 A -31 )
ASP( 9 A -30 )
ILE( 9 A -29 )
ALA( 9 A -28 )
GLU( 9 A -27 )
VAL( 9 A -26 )
SER( 9 A -25 )
GLY( 9 A -24 )
TYR( 9 A -23 )
VAL( 9 A -22 )
LYS( 9 A -21 )
GLN( 9 A -20 )
GLY( 9 A -19 )
TYR( 9 A -18 )
SER( 9 A -17 )
GLY( 9 A -16 )
LEU( 9 A -15 )
GLU( 9 A -14 )
ILE( 9 A -13 )
SER( 9 A -12 )
VAL( 9 A -11 )
ASP( 9 A -10 )
ASN( 9 A -9 )
ILE( 9 A -8 )
GLY( 9 A -7 )
ILE( 9 A -6 )
ILE( 9 A -5 )
GLU( 9 A -4 )
LYS( 9 A -3 )
SER( 9 A -2 )
LEU( 9 A -1 )
GLU( 9 A 0 )
MET( 10 A -97 )
ASN( 10 A -96 )
TYR( 10 A -95 )
LYS( 10 A -94 )
ILE( 10 A -93 )
SER( 10 A -92 )
GLU( 10 A -91 )
LEU( 10 A -90 )
MET( 10 A -89 )
PRO( 10 A -88 )
ASN( 10 A -87 )
LEU( 10 A -86 )
SER( 10 A -85 )
GLY( 10 A -84 )
THR( 10 A -83 )
ILE( 10 A -82 )
ASN( 10 A -81 )
ALA( 10 A -80 )
GLU( 10 A -79 )
VAL( 10 A -78 )
VAL( 10 A -77 )
ALA( 10 A -76 )
ALA( 10 A -75 )
TYR( 10 A -74 )
PRO( 10 A -73 )
LYS( 10 A -72 )
LYS( 10 A -71 )
GLU( 10 A -70 )
PHE( 10 A -69 )
SER( 10 A -68 )
ARG( 10 A -67 )
LYS( 10 A -66 )
ASP( 10 A -65 )
GLY( 10 A -64 )
THR( 10 A -63 )
LYS( 10 A -62 )
GLY( 10 A -61 )
GLN( 10 A -60 )
LEU( 10 A -59 )
LYS( 10 A -58 )
SER( 10 A -57 )
LEU( 10 A -56 )
PHE( 10 A -55 )
LEU( 10 A -54 )
LYS( 10 A -53 )
ASP( 10 A -52 )
ASP( 10 A -51 )
THR( 10 A -50 )
GLY( 10 A -49 )
SER( 10 A -48 )
ILE( 10 A -47 )
ARG( 10 A -46 )
GLY( 10 A -45 )
THR( 10 A -44 )
LEU( 10 A -43 )
TRP( 10 A -42 )
ASN( 10 A -41 )
GLU( 10 A -40 )
LEU( 10 A -39 )
ALA( 10 A -38 )
ASP( 10 A -37 )
PHE( 10 A -36 )
GLU( 10 A -35 )
VAL( 10 A -34 )
LYS( 10 A -33 )
LYS( 10 A -32 )
GLY( 10 A -31 )
ASP( 10 A -30 )
ILE( 10 A -29 )
ALA( 10 A -28 )
GLU( 10 A -27 )
VAL( 10 A -26 )
SER( 10 A -25 )
GLY( 10 A -24 )
TYR( 10 A -23 )
VAL( 10 A -22 )
LYS( 10 A -21 )
GLN( 10 A -20 )
GLY( 10 A -19 )
TYR( 10 A -18 )
SER( 10 A -17 )
GLY( 10 A -16 )
LEU( 10 A -15 )
GLU( 10 A -14 )
ILE( 10 A -13 )
SER( 10 A -12 )
VAL( 10 A -11 )
ASP( 10 A -10 )
ASN( 10 A -9 )
ILE( 10 A -8 )
GLY( 10 A -7 )
ILE( 10 A -6 )
ILE( 10 A -5 )
GLU( 10 A -4 )
LYS( 10 A -3 )
SER( 10 A -2 )
LEU( 10 A -1 )
GLU( 10 A 0 )
MET( 11 A -97 )
ASN( 11 A -96 )
TYR( 11 A -95 )
LYS( 11 A -94 )
ILE( 11 A -93 )
SER( 11 A -92 )
GLU( 11 A -91 )
LEU( 11 A -90 )
MET( 11 A -89 )
PRO( 11 A -88 )
ASN( 11 A -87 )
LEU( 11 A -86 )
SER( 11 A -85 )
GLY( 11 A -84 )
THR( 11 A -83 )
ILE( 11 A -82 )
ASN( 11 A -81 )
ALA( 11 A -80 )
GLU( 11 A -79 )
VAL( 11 A -78 )
VAL( 11 A -77 )
ALA( 11 A -76 )
ALA( 11 A -75 )
TYR( 11 A -74 )
PRO( 11 A -73 )
LYS( 11 A -72 )
LYS( 11 A -71 )
GLU( 11 A -70 )
PHE( 11 A -69 )
SER( 11 A -68 )
ARG( 11 A -67 )
LYS( 11 A -66 )
ASP( 11 A -65 )
GLY( 11 A -64 )
THR( 11 A -63 )
LYS( 11 A -62 )
GLY( 11 A -61 )
GLN( 11 A -60 )
LEU( 11 A -59 )
LYS( 11 A -58 )
SER( 11 A -57 )
LEU( 11 A -56 )
PHE( 11 A -55 )
LEU( 11 A -54 )
LYS( 11 A -53 )
ASP( 11 A -52 )
ASP( 11 A -51 )
THR( 11 A -50 )
GLY( 11 A -49 )
SER( 11 A -48 )
ILE( 11 A -47 )
ARG( 11 A -46 )
GLY( 11 A -45 )
THR( 11 A -44 )
LEU( 11 A -43 )
TRP( 11 A -42 )
ASN( 11 A -41 )
GLU( 11 A -40 )
LEU( 11 A -39 )
ALA( 11 A -38 )
ASP( 11 A -37 )
PHE( 11 A -36 )
GLU( 11 A -35 )
VAL( 11 A -34 )
LYS( 11 A -33 )
LYS( 11 A -32 )
GLY( 11 A -31 )
ASP( 11 A -30 )
ILE( 11 A -29 )
ALA( 11 A -28 )
GLU( 11 A -27 )
VAL( 11 A -26 )
SER( 11 A -25 )
GLY( 11 A -24 )
TYR( 11 A -23 )
VAL( 11 A -22 )
LYS( 11 A -21 )
GLN( 11 A -20 )
GLY( 11 A -19 )
TYR( 11 A -18 )
SER( 11 A -17 )
GLY( 11 A -16 )
LEU( 11 A -15 )
GLU( 11 A -14 )
ILE( 11 A -13 )
SER( 11 A -12 )
VAL( 11 A -11 )
ASP( 11 A -10 )
ASN( 11 A -9 )
ILE( 11 A -8 )
GLY( 11 A -7 )
ILE( 11 A -6 )
ILE( 11 A -5 )
GLU( 11 A -4 )
LYS( 11 A -3 )
SER( 11 A -2 )
LEU( 11 A -1 )
GLU( 11 A 0 )
MET( 12 A -97 )
ASN( 12 A -96 )
TYR( 12 A -95 )
LYS( 12 A -94 )
ILE( 12 A -93 )
SER( 12 A -92 )
GLU( 12 A -91 )
LEU( 12 A -90 )
MET( 12 A -89 )
PRO( 12 A -88 )
ASN( 12 A -87 )
LEU( 12 A -86 )
SER( 12 A -85 )
GLY( 12 A -84 )
THR( 12 A -83 )
ILE( 12 A -82 )
ASN( 12 A -81 )
ALA( 12 A -80 )
GLU( 12 A -79 )
VAL( 12 A -78 )
VAL( 12 A -77 )
ALA( 12 A -76 )
ALA( 12 A -75 )
TYR( 12 A -74 )
PRO( 12 A -73 )
LYS( 12 A -72 )
LYS( 12 A -71 )
GLU( 12 A -70 )
PHE( 12 A -69 )
SER( 12 A -68 )
ARG( 12 A -67 )
LYS( 12 A -66 )
ASP( 12 A -65 )
GLY( 12 A -64 )
THR( 12 A -63 )
LYS( 12 A -62 )
GLY( 12 A -61 )
GLN( 12 A -60 )
LEU( 12 A -59 )
LYS( 12 A -58 )
SER( 12 A -57 )
LEU( 12 A -56 )
PHE( 12 A -55 )
LEU( 12 A -54 )
LYS( 12 A -53 )
ASP( 12 A -52 )
ASP( 12 A -51 )
THR( 12 A -50 )
GLY( 12 A -49 )
SER( 12 A -48 )
ILE( 12 A -47 )
ARG( 12 A -46 )
GLY( 12 A -45 )
THR( 12 A -44 )
LEU( 12 A -43 )
TRP( 12 A -42 )
ASN( 12 A -41 )
GLU( 12 A -40 )
LEU( 12 A -39 )
ALA( 12 A -38 )
ASP( 12 A -37 )
PHE( 12 A -36 )
GLU( 12 A -35 )
VAL( 12 A -34 )
LYS( 12 A -33 )
LYS( 12 A -32 )
GLY( 12 A -31 )
ASP( 12 A -30 )
ILE( 12 A -29 )
ALA( 12 A -28 )
GLU( 12 A -27 )
VAL( 12 A -26 )
SER( 12 A -25 )
GLY( 12 A -24 )
TYR( 12 A -23 )
VAL( 12 A -22 )
LYS( 12 A -21 )
GLN( 12 A -20 )
GLY( 12 A -19 )
TYR( 12 A -18 )
SER( 12 A -17 )
GLY( 12 A -16 )
LEU( 12 A -15 )
GLU( 12 A -14 )
ILE( 12 A -13 )
SER( 12 A -12 )
VAL( 12 A -11 )
ASP( 12 A -10 )
ASN( 12 A -9 )
ILE( 12 A -8 )
GLY( 12 A -7 )
ILE( 12 A -6 )
ILE( 12 A -5 )
GLU( 12 A -4 )
LYS( 12 A -3 )
SER( 12 A -2 )
LEU( 12 A -1 )
GLU( 12 A 0 )
MET( 13 A -97 )
ASN( 13 A -96 )
TYR( 13 A -95 )
LYS( 13 A -94 )
ILE( 13 A -93 )
SER( 13 A -92 )
GLU( 13 A -91 )
LEU( 13 A -90 )
MET( 13 A -89 )
PRO( 13 A -88 )
ASN( 13 A -87 )
LEU( 13 A -86 )
SER( 13 A -85 )
GLY( 13 A -84 )
THR( 13 A -83 )
ILE( 13 A -82 )
ASN( 13 A -81 )
ALA( 13 A -80 )
GLU( 13 A -79 )
VAL( 13 A -78 )
VAL( 13 A -77 )
ALA( 13 A -76 )
ALA( 13 A -75 )
TYR( 13 A -74 )
PRO( 13 A -73 )
LYS( 13 A -72 )
LYS( 13 A -71 )
GLU( 13 A -70 )
PHE( 13 A -69 )
SER( 13 A -68 )
ARG( 13 A -67 )
LYS( 13 A -66 )
ASP( 13 A -65 )
GLY( 13 A -64 )
THR( 13 A -63 )
LYS( 13 A -62 )
GLY( 13 A -61 )
GLN( 13 A -60 )
LEU( 13 A -59 )
LYS( 13 A -58 )
SER( 13 A -57 )
LEU( 13 A -56 )
PHE( 13 A -55 )
LEU( 13 A -54 )
LYS( 13 A -53 )
ASP( 13 A -52 )
ASP( 13 A -51 )
THR( 13 A -50 )
GLY( 13 A -49 )
SER( 13 A -48 )
ILE( 13 A -47 )
ARG( 13 A -46 )
GLY( 13 A -45 )
THR( 13 A -44 )
LEU( 13 A -43 )
TRP( 13 A -42 )
ASN( 13 A -41 )
GLU( 13 A -40 )
LEU( 13 A -39 )
ALA( 13 A -38 )
ASP( 13 A -37 )
PHE( 13 A -36 )
GLU( 13 A -35 )
VAL( 13 A -34 )
LYS( 13 A -33 )
LYS( 13 A -32 )
GLY( 13 A -31 )
ASP( 13 A -30 )
ILE( 13 A -29 )
ALA( 13 A -28 )
GLU( 13 A -27 )
VAL( 13 A -26 )
SER( 13 A -25 )
GLY( 13 A -24 )
TYR( 13 A -23 )
VAL( 13 A -22 )
LYS( 13 A -21 )
GLN( 13 A -20 )
GLY( 13 A -19 )
TYR( 13 A -18 )
SER( 13 A -17 )
GLY( 13 A -16 )
LEU( 13 A -15 )
GLU( 13 A -14 )
ILE( 13 A -13 )
SER( 13 A -12 )
VAL( 13 A -11 )
ASP( 13 A -10 )
ASN( 13 A -9 )
ILE( 13 A -8 )
GLY( 13 A -7 )
ILE( 13 A -6 )
ILE( 13 A -5 )
GLU( 13 A -4 )
LYS( 13 A -3 )
SER( 13 A -2 )
LEU( 13 A -1 )
GLU( 13 A 0 )
MET( 14 A -97 )
ASN( 14 A -96 )
TYR( 14 A -95 )
LYS( 14 A -94 )
ILE( 14 A -93 )
SER( 14 A -92 )
GLU( 14 A -91 )
LEU( 14 A -90 )
MET( 14 A -89 )
PRO( 14 A -88 )
ASN( 14 A -87 )
LEU( 14 A -86 )
SER( 14 A -85 )
GLY( 14 A -84 )
THR( 14 A -83 )
ILE( 14 A -82 )
ASN( 14 A -81 )
ALA( 14 A -80 )
GLU( 14 A -79 )
VAL( 14 A -78 )
VAL( 14 A -77 )
ALA( 14 A -76 )
ALA( 14 A -75 )
TYR( 14 A -74 )
PRO( 14 A -73 )
LYS( 14 A -72 )
LYS( 14 A -71 )
GLU( 14 A -70 )
PHE( 14 A -69 )
SER( 14 A -68 )
ARG( 14 A -67 )
LYS( 14 A -66 )
ASP( 14 A -65 )
GLY( 14 A -64 )
THR( 14 A -63 )
LYS( 14 A -62 )
GLY( 14 A -61 )
GLN( 14 A -60 )
LEU( 14 A -59 )
LYS( 14 A -58 )
SER( 14 A -57 )
LEU( 14 A -56 )
PHE( 14 A -55 )
LEU( 14 A -54 )
LYS( 14 A -53 )
ASP( 14 A -52 )
ASP( 14 A -51 )
THR( 14 A -50 )
GLY( 14 A -49 )
SER( 14 A -48 )
ILE( 14 A -47 )
ARG( 14 A -46 )
GLY( 14 A -45 )
THR( 14 A -44 )
LEU( 14 A -43 )
TRP( 14 A -42 )
ASN( 14 A -41 )
GLU( 14 A -40 )
LEU( 14 A -39 )
ALA( 14 A -38 )
ASP( 14 A -37 )
PHE( 14 A -36 )
GLU( 14 A -35 )
VAL( 14 A -34 )
LYS( 14 A -33 )
LYS( 14 A -32 )
GLY( 14 A -31 )
ASP( 14 A -30 )
ILE( 14 A -29 )
ALA( 14 A -28 )
GLU( 14 A -27 )
VAL( 14 A -26 )
SER( 14 A -25 )
GLY( 14 A -24 )
TYR( 14 A -23 )
VAL( 14 A -22 )
LYS( 14 A -21 )
GLN( 14 A -20 )
GLY( 14 A -19 )
TYR( 14 A -18 )
SER( 14 A -17 )
GLY( 14 A -16 )
LEU( 14 A -15 )
GLU( 14 A -14 )
ILE( 14 A -13 )
SER( 14 A -12 )
VAL( 14 A -11 )
ASP( 14 A -10 )
ASN( 14 A -9 )
ILE( 14 A -8 )
GLY( 14 A -7 )
ILE( 14 A -6 )
ILE( 14 A -5 )
GLU( 14 A -4 )
LYS( 14 A -3 )
SER( 14 A -2 )
LEU( 14 A -1 )
GLU( 14 A 0 )
MET( 15 A -97 )
ASN( 15 A -96 )
TYR( 15 A -95 )
LYS( 15 A -94 )
ILE( 15 A -93 )
SER( 15 A -92 )
GLU( 15 A -91 )
LEU( 15 A -90 )
MET( 15 A -89 )
PRO( 15 A -88 )
ASN( 15 A -87 )
LEU( 15 A -86 )
SER( 15 A -85 )
GLY( 15 A -84 )
THR( 15 A -83 )
ILE( 15 A -82 )
ASN( 15 A -81 )
ALA( 15 A -80 )
GLU( 15 A -79 )
VAL( 15 A -78 )
VAL( 15 A -77 )
ALA( 15 A -76 )
ALA( 15 A -75 )
TYR( 15 A -74 )
PRO( 15 A -73 )
LYS( 15 A -72 )
LYS( 15 A -71 )
GLU( 15 A -70 )
PHE( 15 A -69 )
SER( 15 A -68 )
ARG( 15 A -67 )
LYS( 15 A -66 )
ASP( 15 A -65 )
GLY( 15 A -64 )
THR( 15 A -63 )
LYS( 15 A -62 )
GLY( 15 A -61 )
GLN( 15 A -60 )
LEU( 15 A -59 )
LYS( 15 A -58 )
SER( 15 A -57 )
LEU( 15 A -56 )
PHE( 15 A -55 )
LEU( 15 A -54 )
LYS( 15 A -53 )
ASP( 15 A -52 )
ASP( 15 A -51 )
THR( 15 A -50 )
GLY( 15 A -49 )
SER( 15 A -48 )
ILE( 15 A -47 )
ARG( 15 A -46 )
GLY( 15 A -45 )
THR( 15 A -44 )
LEU( 15 A -43 )
TRP( 15 A -42 )
ASN( 15 A -41 )
GLU( 15 A -40 )
LEU( 15 A -39 )
ALA( 15 A -38 )
ASP( 15 A -37 )
PHE( 15 A -36 )
GLU( 15 A -35 )
VAL( 15 A -34 )
LYS( 15 A -33 )
LYS( 15 A -32 )
GLY( 15 A -31 )
ASP( 15 A -30 )
ILE( 15 A -29 )
ALA( 15 A -28 )
GLU( 15 A -27 )
VAL( 15 A -26 )
SER( 15 A -25 )
GLY( 15 A -24 )
TYR( 15 A -23 )
VAL( 15 A -22 )
LYS( 15 A -21 )
GLN( 15 A -20 )
GLY( 15 A -19 )
TYR( 15 A -18 )
SER( 15 A -17 )
GLY( 15 A -16 )
LEU( 15 A -15 )
GLU( 15 A -14 )
ILE( 15 A -13 )
SER( 15 A -12 )
VAL( 15 A -11 )
ASP( 15 A -10 )
ASN( 15 A -9 )
ILE( 15 A -8 )
GLY( 15 A -7 )
ILE( 15 A -6 )
ILE( 15 A -5 )
GLU( 15 A -4 )
LYS( 15 A -3 )
SER( 15 A -2 )
LEU( 15 A -1 )
GLU( 15 A 0 )
MET( 16 A -97 )
ASN( 16 A -96 )
TYR( 16 A -95 )
LYS( 16 A -94 )
ILE( 16 A -93 )
SER( 16 A -92 )
GLU( 16 A -91 )
LEU( 16 A -90 )
MET( 16 A -89 )
PRO( 16 A -88 )
ASN( 16 A -87 )
LEU( 16 A -86 )
SER( 16 A -85 )
GLY( 16 A -84 )
THR( 16 A -83 )
ILE( 16 A -82 )
ASN( 16 A -81 )
ALA( 16 A -80 )
GLU( 16 A -79 )
VAL( 16 A -78 )
VAL( 16 A -77 )
ALA( 16 A -76 )
ALA( 16 A -75 )
TYR( 16 A -74 )
PRO( 16 A -73 )
LYS( 16 A -72 )
LYS( 16 A -71 )
GLU( 16 A -70 )
PHE( 16 A -69 )
SER( 16 A -68 )
ARG( 16 A -67 )
LYS( 16 A -66 )
ASP( 16 A -65 )
GLY( 16 A -64 )
THR( 16 A -63 )
LYS( 16 A -62 )
GLY( 16 A -61 )
GLN( 16 A -60 )
LEU( 16 A -59 )
LYS( 16 A -58 )
SER( 16 A -57 )
LEU( 16 A -56 )
PHE( 16 A -55 )
LEU( 16 A -54 )
LYS( 16 A -53 )
ASP( 16 A -52 )
ASP( 16 A -51 )
THR( 16 A -50 )
GLY( 16 A -49 )
SER( 16 A -48 )
ILE( 16 A -47 )
ARG( 16 A -46 )
GLY( 16 A -45 )
THR( 16 A -44 )
LEU( 16 A -43 )
TRP( 16 A -42 )
ASN( 16 A -41 )
GLU( 16 A -40 )
LEU( 16 A -39 )
ALA( 16 A -38 )
ASP( 16 A -37 )
PHE( 16 A -36 )
GLU( 16 A -35 )
VAL( 16 A -34 )
LYS( 16 A -33 )
LYS( 16 A -32 )
GLY( 16 A -31 )
ASP( 16 A -30 )
ILE( 16 A -29 )
ALA( 16 A -28 )
GLU( 16 A -27 )
VAL( 16 A -26 )
SER( 16 A -25 )
GLY( 16 A -24 )
TYR( 16 A -23 )
VAL( 16 A -22 )
LYS( 16 A -21 )
GLN( 16 A -20 )
GLY( 16 A -19 )
TYR( 16 A -18 )
SER( 16 A -17 )
GLY( 16 A -16 )
LEU( 16 A -15 )
GLU( 16 A -14 )
ILE( 16 A -13 )
SER( 16 A -12 )
VAL( 16 A -11 )
ASP( 16 A -10 )
ASN( 16 A -9 )
ILE( 16 A -8 )
GLY( 16 A -7 )
ILE( 16 A -6 )
ILE( 16 A -5 )
GLU( 16 A -4 )
LYS( 16 A -3 )
SER( 16 A -2 )
LEU( 16 A -1 )
GLU( 16 A 0 )
MET( 17 A -97 )
ASN( 17 A -96 )
TYR( 17 A -95 )
LYS( 17 A -94 )
ILE( 17 A -93 )
SER( 17 A -92 )
GLU( 17 A -91 )
LEU( 17 A -90 )
MET( 17 A -89 )
PRO( 17 A -88 )
ASN( 17 A -87 )
LEU( 17 A -86 )
SER( 17 A -85 )
GLY( 17 A -84 )
THR( 17 A -83 )
ILE( 17 A -82 )
ASN( 17 A -81 )
ALA( 17 A -80 )
GLU( 17 A -79 )
VAL( 17 A -78 )
VAL( 17 A -77 )
ALA( 17 A -76 )
ALA( 17 A -75 )
TYR( 17 A -74 )
PRO( 17 A -73 )
LYS( 17 A -72 )
LYS( 17 A -71 )
GLU( 17 A -70 )
PHE( 17 A -69 )
SER( 17 A -68 )
ARG( 17 A -67 )
LYS( 17 A -66 )
ASP( 17 A -65 )
GLY( 17 A -64 )
THR( 17 A -63 )
LYS( 17 A -62 )
GLY( 17 A -61 )
GLN( 17 A -60 )
LEU( 17 A -59 )
LYS( 17 A -58 )
SER( 17 A -57 )
LEU( 17 A -56 )
PHE( 17 A -55 )
LEU( 17 A -54 )
LYS( 17 A -53 )
ASP( 17 A -52 )
ASP( 17 A -51 )
THR( 17 A -50 )
GLY( 17 A -49 )
SER( 17 A -48 )
ILE( 17 A -47 )
ARG( 17 A -46 )
GLY( 17 A -45 )
THR( 17 A -44 )
LEU( 17 A -43 )
TRP( 17 A -42 )
ASN( 17 A -41 )
GLU( 17 A -40 )
LEU( 17 A -39 )
ALA( 17 A -38 )
ASP( 17 A -37 )
PHE( 17 A -36 )
GLU( 17 A -35 )
VAL( 17 A -34 )
LYS( 17 A -33 )
LYS( 17 A -32 )
GLY( 17 A -31 )
ASP( 17 A -30 )
ILE( 17 A -29 )
ALA( 17 A -28 )
GLU( 17 A -27 )
VAL( 17 A -26 )
SER( 17 A -25 )
GLY( 17 A -24 )
TYR( 17 A -23 )
VAL( 17 A -22 )
LYS( 17 A -21 )
GLN( 17 A -20 )
GLY( 17 A -19 )
TYR( 17 A -18 )
SER( 17 A -17 )
GLY( 17 A -16 )
LEU( 17 A -15 )
GLU( 17 A -14 )
ILE( 17 A -13 )
SER( 17 A -12 )
VAL( 17 A -11 )
ASP( 17 A -10 )
ASN( 17 A -9 )
ILE( 17 A -8 )
GLY( 17 A -7 )
ILE( 17 A -6 )
ILE( 17 A -5 )
GLU( 17 A -4 )
LYS( 17 A -3 )
SER( 17 A -2 )
LEU( 17 A -1 )
GLU( 17 A 0 )
MET( 18 A -97 )
ASN( 18 A -96 )
TYR( 18 A -95 )
LYS( 18 A -94 )
ILE( 18 A -93 )
SER( 18 A -92 )
GLU( 18 A -91 )
LEU( 18 A -90 )
MET( 18 A -89 )
PRO( 18 A -88 )
ASN( 18 A -87 )
LEU( 18 A -86 )
SER( 18 A -85 )
GLY( 18 A -84 )
THR( 18 A -83 )
ILE( 18 A -82 )
ASN( 18 A -81 )
ALA( 18 A -80 )
GLU( 18 A -79 )
VAL( 18 A -78 )
VAL( 18 A -77 )
ALA( 18 A -76 )
ALA( 18 A -75 )
TYR( 18 A -74 )
PRO( 18 A -73 )
LYS( 18 A -72 )
LYS( 18 A -71 )
GLU( 18 A -70 )
PHE( 18 A -69 )
SER( 18 A -68 )
ARG( 18 A -67 )
LYS( 18 A -66 )
ASP( 18 A -65 )
GLY( 18 A -64 )
THR( 18 A -63 )
LYS( 18 A -62 )
GLY( 18 A -61 )
GLN( 18 A -60 )
LEU( 18 A -59 )
LYS( 18 A -58 )
SER( 18 A -57 )
LEU( 18 A -56 )
PHE( 18 A -55 )
LEU( 18 A -54 )
LYS( 18 A -53 )
ASP( 18 A -52 )
ASP( 18 A -51 )
THR( 18 A -50 )
GLY( 18 A -49 )
SER( 18 A -48 )
ILE( 18 A -47 )
ARG( 18 A -46 )
GLY( 18 A -45 )
THR( 18 A -44 )
LEU( 18 A -43 )
TRP( 18 A -42 )
ASN( 18 A -41 )
GLU( 18 A -40 )
LEU( 18 A -39 )
ALA( 18 A -38 )
ASP( 18 A -37 )
PHE( 18 A -36 )
GLU( 18 A -35 )
VAL( 18 A -34 )
LYS( 18 A -33 )
LYS( 18 A -32 )
GLY( 18 A -31 )
ASP( 18 A -30 )
ILE( 18 A -29 )
ALA( 18 A -28 )
GLU( 18 A -27 )
VAL( 18 A -26 )
SER( 18 A -25 )
GLY( 18 A -24 )
TYR( 18 A -23 )
VAL( 18 A -22 )
LYS( 18 A -21 )
GLN( 18 A -20 )
GLY( 18 A -19 )
TYR( 18 A -18 )
SER( 18 A -17 )
GLY( 18 A -16 )
LEU( 18 A -15 )
GLU( 18 A -14 )
ILE( 18 A -13 )
SER( 18 A -12 )
VAL( 18 A -11 )
ASP( 18 A -10 )
ASN( 18 A -9 )
ILE( 18 A -8 )
GLY( 18 A -7 )
ILE( 18 A -6 )
ILE( 18 A -5 )
GLU( 18 A -4 )
LYS( 18 A -3 )
SER( 18 A -2 )
LEU( 18 A -1 )
GLU( 18 A 0 )
MET( 19 A -97 )
ASN( 19 A -96 )
TYR( 19 A -95 )
LYS( 19 A -94 )
ILE( 19 A -93 )
SER( 19 A -92 )
GLU( 19 A -91 )
LEU( 19 A -90 )
MET( 19 A -89 )
PRO( 19 A -88 )
ASN( 19 A -87 )
LEU( 19 A -86 )
SER( 19 A -85 )
GLY( 19 A -84 )
THR( 19 A -83 )
ILE( 19 A -82 )
ASN( 19 A -81 )
ALA( 19 A -80 )
GLU( 19 A -79 )
VAL( 19 A -78 )
VAL( 19 A -77 )
ALA( 19 A -76 )
ALA( 19 A -75 )
TYR( 19 A -74 )
PRO( 19 A -73 )
LYS( 19 A -72 )
LYS( 19 A -71 )
GLU( 19 A -70 )
PHE( 19 A -69 )
SER( 19 A -68 )
ARG( 19 A -67 )
LYS( 19 A -66 )
ASP( 19 A -65 )
GLY( 19 A -64 )
THR( 19 A -63 )
LYS( 19 A -62 )
GLY( 19 A -61 )
GLN( 19 A -60 )
LEU( 19 A -59 )
LYS( 19 A -58 )
SER( 19 A -57 )
LEU( 19 A -56 )
PHE( 19 A -55 )
LEU( 19 A -54 )
LYS( 19 A -53 )
ASP( 19 A -52 )
ASP( 19 A -51 )
THR( 19 A -50 )
GLY( 19 A -49 )
SER( 19 A -48 )
ILE( 19 A -47 )
ARG( 19 A -46 )
GLY( 19 A -45 )
THR( 19 A -44 )
LEU( 19 A -43 )
TRP( 19 A -42 )
ASN( 19 A -41 )
GLU( 19 A -40 )
LEU( 19 A -39 )
ALA( 19 A -38 )
ASP( 19 A -37 )
PHE( 19 A -36 )
GLU( 19 A -35 )
VAL( 19 A -34 )
LYS( 19 A -33 )
LYS( 19 A -32 )
GLY( 19 A -31 )
ASP( 19 A -30 )
ILE( 19 A -29 )
ALA( 19 A -28 )
GLU( 19 A -27 )
VAL( 19 A -26 )
SER( 19 A -25 )
GLY( 19 A -24 )
TYR( 19 A -23 )
VAL( 19 A -22 )
LYS( 19 A -21 )
GLN( 19 A -20 )
GLY( 19 A -19 )
TYR( 19 A -18 )
SER( 19 A -17 )
GLY( 19 A -16 )
LEU( 19 A -15 )
GLU( 19 A -14 )
ILE( 19 A -13 )
SER( 19 A -12 )
VAL( 19 A -11 )
ASP( 19 A -10 )
ASN( 19 A -9 )
ILE( 19 A -8 )
GLY( 19 A -7 )
ILE( 19 A -6 )
ILE( 19 A -5 )
GLU( 19 A -4 )
LYS( 19 A -3 )
SER( 19 A -2 )
LEU( 19 A -1 )
GLU( 19 A 0 )
MET( 20 A -97 )
ASN( 20 A -96 )
TYR( 20 A -95 )
LYS( 20 A -94 )
ILE( 20 A -93 )
SER( 20 A -92 )
GLU( 20 A -91 )
LEU( 20 A -90 )
MET( 20 A -89 )
PRO( 20 A -88 )
ASN( 20 A -87 )
LEU( 20 A -86 )
SER( 20 A -85 )
GLY( 20 A -84 )
THR( 20 A -83 )
ILE( 20 A -82 )
ASN( 20 A -81 )
ALA( 20 A -80 )
GLU( 20 A -79 )
VAL( 20 A -78 )
VAL( 20 A -77 )
ALA( 20 A -76 )
ALA( 20 A -75 )
TYR( 20 A -74 )
PRO( 20 A -73 )
LYS( 20 A -72 )
LYS( 20 A -71 )
GLU( 20 A -70 )
PHE( 20 A -69 )
SER( 20 A -68 )
ARG( 20 A -67 )
LYS( 20 A -66 )
ASP( 20 A -65 )
GLY( 20 A -64 )
THR( 20 A -63 )
LYS( 20 A -62 )
GLY( 20 A -61 )
GLN( 20 A -60 )
LEU( 20 A -59 )
LYS( 20 A -58 )
SER( 20 A -57 )
LEU( 20 A -56 )
PHE( 20 A -55 )
LEU( 20 A -54 )
LYS( 20 A -53 )
ASP( 20 A -52 )
ASP( 20 A -51 )
THR( 20 A -50 )
GLY( 20 A -49 )
SER( 20 A -48 )
ILE( 20 A -47 )
ARG( 20 A -46 )
GLY( 20 A -45 )
THR( 20 A -44 )
LEU( 20 A -43 )
TRP( 20 A -42 )
ASN( 20 A -41 )
GLU( 20 A -40 )
LEU( 20 A -39 )
ALA( 20 A -38 )
ASP( 20 A -37 )
PHE( 20 A -36 )
GLU( 20 A -35 )
VAL( 20 A -34 )
LYS( 20 A -33 )
LYS( 20 A -32 )
GLY( 20 A -31 )
ASP( 20 A -30 )
ILE( 20 A -29 )
ALA( 20 A -28 )
GLU( 20 A -27 )
VAL( 20 A -26 )
SER( 20 A -25 )
GLY( 20 A -24 )
TYR( 20 A -23 )
VAL( 20 A -22 )
LYS( 20 A -21 )
GLN( 20 A -20 )
GLY( 20 A -19 )
TYR( 20 A -18 )
SER( 20 A -17 )
GLY( 20 A -16 )
LEU( 20 A -15 )
GLU( 20 A -14 )
ILE( 20 A -13 )
SER( 20 A -12 )
VAL( 20 A -11 )
ASP( 20 A -10 )
ASN( 20 A -9 )
ILE( 20 A -8 )
GLY( 20 A -7 )
ILE( 20 A -6 )
ILE( 20 A -5 )
GLU( 20 A -4 )
LYS( 20 A -3 )
SER( 20 A -2 )
LEU( 20 A -1 )
GLU( 20 A 0 )
PDB Chain_ID: A
1 15
SEQRES: MET ASN TYR LYS ILE SER GLU LEU MET PRO ASN LEU SER GLY THR
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
16 30
SEQRES: ILE ASN ALA GLU VAL VAL ALA ALA TYR PRO LYS LYS GLU PHE SER
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
31 45
SEQRES: ARG LYS ASP GLY THR LYS GLY GLN LEU LYS SER LEU PHE LEU LYS
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
46 60
SEQRES: ASP ASP THR GLY SER ILE ARG GLY THR LEU TRP ASN GLU LEU ALA
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
61 75
SEQRES: ASP PHE GLU VAL LYS LYS GLY ASP ILE ALA GLU VAL SER GLY TYR
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
76 90
SEQRES: VAL LYS GLN GLY TYR SER GLY LEU GLU ILE SER VAL ASP ASN ILE
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
91 105
SEQRES: GLY ILE ILE GLU LYS SER LEU GLU MET ASN TYR LYS ILE SER GLU
COORDS: ... ... ... ... ... ... ... ... MET ASN TYR LYS ILE SER GLU
1 7
106 120
SEQRES: LEU MET PRO ASN LEU SER GLY THR ILE ASN ALA GLU VAL VAL ALA
COORDS: LEU MET PRO ASN LEU SER GLY THR ILE ASN ALA GLU VAL VAL ALA
8 22
121 135
SEQRES: ALA TYR PRO LYS LYS GLU PHE SER ARG LYS ASP GLY THR LYS GLY
COORDS: ALA TYR PRO LYS LYS GLU PHE SER ARG LYS ASP GLY THR LYS GLY
23 37
136 150
SEQRES: GLN LEU LYS SER LEU PHE LEU LYS ASP ASP THR GLY SER ILE ARG
COORDS: GLN LEU LYS SER LEU PHE LEU LYS ASP ASP THR GLY SER ILE ARG
38 52
151 165
SEQRES: GLY THR LEU TRP ASN GLU LEU ALA ASP PHE GLU VAL LYS LYS GLY
COORDS: GLY THR LEU TRP ASN GLU LEU ALA ASP PHE GLU VAL LYS LYS GLY
53 67
166 180
SEQRES: ASP ILE ALA GLU VAL SER GLY TYR VAL LYS GLN GLY TYR SER GLY
COORDS: ASP ILE ALA GLU VAL SER GLY TYR VAL LYS GLN GLY TYR SER GLY
68 82
181 195
SEQRES: LEU GLU ILE SER VAL ASP ASN ILE GLY ILE ILE GLU LYS SER LEU
COORDS: LEU GLU ILE SER VAL ASP ASN ILE GLY ILE ILE GLU LYS SER LEU
83 97
196
SEQRES: GLU
COORDS: GLU
98
==> The following residues have missing atoms:
RES MOD#C SEQ ATOMS
GLU( 1 A 7) HE2
GLU( 1 A 19) HE2
GLU( 1 A 28) HE2
ASP( 1 A 33) HD2
ASP( 1 A 46) HD2
ASP( 1 A 47) HD2
GLU( 1 A 58) HE2
ASP( 1 A 61) HD2
GLU( 1 A 63) HE2
ASP( 1 A 68) HD2
GLU( 1 A 71) HE2
GLU( 1 A 84) HE2
ASP( 1 A 88) HD2
GLU( 1 A 94) HE2
GLU( 1 A 98) HE2
GLU( 2 A 7) HE2
GLU( 2 A 19) HE2
GLU( 2 A 28) HE2
ASP( 2 A 33) HD2
ASP( 2 A 46) HD2
ASP( 2 A 47) HD2
GLU( 2 A 58) HE2
ASP( 2 A 61) HD2
GLU( 2 A 63) HE2
ASP( 2 A 68) HD2
GLU( 2 A 71) HE2
GLU( 2 A 84) HE2
ASP( 2 A 88) HD2
GLU( 2 A 94) HE2
GLU( 2 A 98) HE2
GLU( 3 A 7) HE2
GLU( 3 A 19) HE2
GLU( 3 A 28) HE2
ASP( 3 A 33) HD2
ASP( 3 A 46) HD2
ASP( 3 A 47) HD2
GLU( 3 A 58) HE2
ASP( 3 A 61) HD2
GLU( 3 A 63) HE2
ASP( 3 A 68) HD2
GLU( 3 A 71) HE2
GLU( 3 A 84) HE2
ASP( 3 A 88) HD2
GLU( 3 A 94) HE2
GLU( 3 A 98) HE2
GLU( 4 A 7) HE2
GLU( 4 A 19) HE2
GLU( 4 A 28) HE2
ASP( 4 A 33) HD2
ASP( 4 A 46) HD2
ASP( 4 A 47) HD2
GLU( 4 A 58) HE2
ASP( 4 A 61) HD2
GLU( 4 A 63) HE2
ASP( 4 A 68) HD2
GLU( 4 A 71) HE2
GLU( 4 A 84) HE2
ASP( 4 A 88) HD2
GLU( 4 A 94) HE2
GLU( 4 A 98) HE2
GLU( 5 A 7) HE2
GLU( 5 A 19) HE2
GLU( 5 A 28) HE2
ASP( 5 A 33) HD2
ASP( 5 A 46) HD2
ASP( 5 A 47) HD2
GLU( 5 A 58) HE2
ASP( 5 A 61) HD2
GLU( 5 A 63) HE2
ASP( 5 A 68) HD2
GLU( 5 A 71) HE2
GLU( 5 A 84) HE2
ASP( 5 A 88) HD2
GLU( 5 A 94) HE2
GLU( 5 A 98) HE2
GLU( 6 A 7) HE2
GLU( 6 A 19) HE2
GLU( 6 A 28) HE2
ASP( 6 A 33) HD2
ASP( 6 A 46) HD2
ASP( 6 A 47) HD2
GLU( 6 A 58) HE2
ASP( 6 A 61) HD2
GLU( 6 A 63) HE2
ASP( 6 A 68) HD2
GLU( 6 A 71) HE2
GLU( 6 A 84) HE2
ASP( 6 A 88) HD2
GLU( 6 A 94) HE2
GLU( 6 A 98) HE2
GLU( 7 A 7) HE2
GLU( 7 A 19) HE2
GLU( 7 A 28) HE2
ASP( 7 A 33) HD2
ASP( 7 A 46) HD2
ASP( 7 A 47) HD2
GLU( 7 A 58) HE2
ASP( 7 A 61) HD2
GLU( 7 A 63) HE2
ASP( 7 A 68) HD2
GLU( 7 A 71) HE2
GLU( 7 A 84) HE2
ASP( 7 A 88) HD2
GLU( 7 A 94) HE2
GLU( 7 A 98) HE2
GLU( 8 A 7) HE2
GLU( 8 A 19) HE2
GLU( 8 A 28) HE2
ASP( 8 A 33) HD2
ASP( 8 A 46) HD2
ASP( 8 A 47) HD2
GLU( 8 A 58) HE2
ASP( 8 A 61) HD2
GLU( 8 A 63) HE2
ASP( 8 A 68) HD2
GLU( 8 A 71) HE2
GLU( 8 A 84) HE2
ASP( 8 A 88) HD2
GLU( 8 A 94) HE2
GLU( 8 A 98) HE2
GLU( 9 A 7) HE2
GLU( 9 A 19) HE2
GLU( 9 A 28) HE2
ASP( 9 A 33) HD2
ASP( 9 A 46) HD2
ASP( 9 A 47) HD2
GLU( 9 A 58) HE2
ASP( 9 A 61) HD2
GLU( 9 A 63) HE2
ASP( 9 A 68) HD2
GLU( 9 A 71) HE2
GLU( 9 A 84) HE2
ASP( 9 A 88) HD2
GLU( 9 A 94) HE2
GLU( 9 A 98) HE2
GLU( 10 A 7) HE2
GLU( 10 A 19) HE2
GLU( 10 A 28) HE2
ASP( 10 A 33) HD2
ASP( 10 A 46) HD2
ASP( 10 A 47) HD2
GLU( 10 A 58) HE2
ASP( 10 A 61) HD2
GLU( 10 A 63) HE2
ASP( 10 A 68) HD2
GLU( 10 A 71) HE2
GLU( 10 A 84) HE2
ASP( 10 A 88) HD2
GLU( 10 A 94) HE2
GLU( 10 A 98) HE2
GLU( 11 A 7) HE2
GLU( 11 A 19) HE2
GLU( 11 A 28) HE2
ASP( 11 A 33) HD2
ASP( 11 A 46) HD2
ASP( 11 A 47) HD2
GLU( 11 A 58) HE2
ASP( 11 A 61) HD2
GLU( 11 A 63) HE2
ASP( 11 A 68) HD2
GLU( 11 A 71) HE2
GLU( 11 A 84) HE2
ASP( 11 A 88) HD2
GLU( 11 A 94) HE2
GLU( 11 A 98) HE2
GLU( 12 A 7) HE2
GLU( 12 A 19) HE2
GLU( 12 A 28) HE2
ASP( 12 A 33) HD2
ASP( 12 A 46) HD2
ASP( 12 A 47) HD2
GLU( 12 A 58) HE2
ASP( 12 A 61) HD2
GLU( 12 A 63) HE2
ASP( 12 A 68) HD2
GLU( 12 A 71) HE2
GLU( 12 A 84) HE2
ASP( 12 A 88) HD2
GLU( 12 A 94) HE2
GLU( 12 A 98) HE2
GLU( 13 A 7) HE2
GLU( 13 A 19) HE2
GLU( 13 A 28) HE2
ASP( 13 A 33) HD2
ASP( 13 A 46) HD2
ASP( 13 A 47) HD2
GLU( 13 A 58) HE2
ASP( 13 A 61) HD2
GLU( 13 A 63) HE2
ASP( 13 A 68) HD2
GLU( 13 A 71) HE2
GLU( 13 A 84) HE2
ASP( 13 A 88) HD2
GLU( 13 A 94) HE2
GLU( 13 A 98) HE2
GLU( 14 A 7) HE2
GLU( 14 A 19) HE2
GLU( 14 A 28) HE2
ASP( 14 A 33) HD2
ASP( 14 A 46) HD2
ASP( 14 A 47) HD2
GLU( 14 A 58) HE2
ASP( 14 A 61) HD2
GLU( 14 A 63) HE2
ASP( 14 A 68) HD2
GLU( 14 A 71) HE2
GLU( 14 A 84) HE2
ASP( 14 A 88) HD2
GLU( 14 A 94) HE2
GLU( 14 A 98) HE2
GLU( 15 A 7) HE2
GLU( 15 A 19) HE2
GLU( 15 A 28) HE2
ASP( 15 A 33) HD2
ASP( 15 A 46) HD2
ASP( 15 A 47) HD2
GLU( 15 A 58) HE2
ASP( 15 A 61) HD2
GLU( 15 A 63) HE2
ASP( 15 A 68) HD2
GLU( 15 A 71) HE2
GLU( 15 A 84) HE2
ASP( 15 A 88) HD2
GLU( 15 A 94) HE2
GLU( 15 A 98) HE2
GLU( 16 A 7) HE2
GLU( 16 A 19) HE2
GLU( 16 A 28) HE2
ASP( 16 A 33) HD2
ASP( 16 A 46) HD2
ASP( 16 A 47) HD2
GLU( 16 A 58) HE2
ASP( 16 A 61) HD2
GLU( 16 A 63) HE2
ASP( 16 A 68) HD2
GLU( 16 A 71) HE2
GLU( 16 A 84) HE2
ASP( 16 A 88) HD2
GLU( 16 A 94) HE2
GLU( 16 A 98) HE2
GLU( 17 A 7) HE2
GLU( 17 A 19) HE2
GLU( 17 A 28) HE2
ASP( 17 A 33) HD2
ASP( 17 A 46) HD2
ASP( 17 A 47) HD2
GLU( 17 A 58) HE2
ASP( 17 A 61) HD2
GLU( 17 A 63) HE2
ASP( 17 A 68) HD2
GLU( 17 A 71) HE2
GLU( 17 A 84) HE2
ASP( 17 A 88) HD2
GLU( 17 A 94) HE2
GLU( 17 A 98) HE2
GLU( 18 A 7) HE2
GLU( 18 A 19) HE2
GLU( 18 A 28) HE2
ASP( 18 A 33) HD2
ASP( 18 A 46) HD2
ASP( 18 A 47) HD2
GLU( 18 A 58) HE2
ASP( 18 A 61) HD2
GLU( 18 A 63) HE2
ASP( 18 A 68) HD2
GLU( 18 A 71) HE2
GLU( 18 A 84) HE2
ASP( 18 A 88) HD2
GLU( 18 A 94) HE2
GLU( 18 A 98) HE2
GLU( 19 A 7) HE2
GLU( 19 A 19) HE2
GLU( 19 A 28) HE2
ASP( 19 A 33) HD2
ASP( 19 A 46) HD2
ASP( 19 A 47) HD2
GLU( 19 A 58) HE2
ASP( 19 A 61) HD2
GLU( 19 A 63) HE2
ASP( 19 A 68) HD2
GLU( 19 A 71) HE2
GLU( 19 A 84) HE2
ASP( 19 A 88) HD2
GLU( 19 A 94) HE2
GLU( 19 A 98) HE2
GLU( 20 A 7) HE2
GLU( 20 A 19) HE2
GLU( 20 A 28) HE2
ASP( 20 A 33) HD2
ASP( 20 A 46) HD2
ASP( 20 A 47) HD2
GLU( 20 A 58) HE2
ASP( 20 A 61) HD2
GLU( 20 A 63) HE2
ASP( 20 A 68) HD2
GLU( 20 A 71) HE2
GLU( 20 A 84) HE2
ASP( 20 A 88) HD2
GLU( 20 A 94) HE2
GLU( 20 A 98) HE2
==> The following residues have extra atoms:
RES MOD#C SEQ ATOMS
GLU( 1 A 98) O2
GLU( 2 A 98) O2
GLU( 3 A 98) O2
GLU( 4 A 98) O2
GLU( 5 A 98) O2
GLU( 6 A 98) O2
GLU( 7 A 98) O2
GLU( 8 A 98) O2
GLU( 9 A 98) O2
GLU( 10 A 98) O2
GLU( 11 A 98) O2
GLU( 12 A 98) O2
GLU( 13 A 98) O2
GLU( 14 A 98) O2
GLU( 15 A 98) O2
GLU( 16 A 98) O2
GLU( 17 A 98) O2
GLU( 18 A 98) O2
GLU( 19 A 98) O2
GLU( 20 A 98) 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
MRR110B_R3_em_bcr3.pdb: Missing KEYWDS records
MRR110B_R3_em_bcr3.pdb: Missing TITLE record