Detailed results of STR70_R3_em_bcr3 by PSVS
Output from PDBStat
Constraints analysis
table of NOE constraints
# -------------- SUMMARY OF RESTRAINTS ---------------
# TOTAL NUMBER OF NOE RESTRAINTS : 1513
# INTRA-RESIDUE RESTRAINTS (I=J) : 373
# SEQUENTIAL RESTRAINTS (I-J)=1 : 424
# BACKBONE-BACKBONE : 107
# BACKBONE-SIDE CHAIN : 30
# SIDE CHAIN-SIDE CHAIN : 287
# MEDIUM RANGE RESTRAINTS 1<(I-J)<5 : 206
# BACKBONE-BACKBONE : 42
# BACKBONE-SIDE CHAIN : 50
# SIDE CHAIN-SIDE CHAIN : 114
# LONG RANGE RESTRAINTS (I-J)>=5 : 510
# TOTAL HYDROGEN BOND RESTRAINTS : 0
# LONG RANGE H-BOND RESTR. (I-J)>=5 : 0
# DISULFIDE RESTRAINTS : 0
# INTRA-CHAIN RESTRAINTS : 1513
# INTER-CHAIN RESTRAINTS : 0
# AMBIGUOUS RESTRAINTS : 0
# -----------------------------------------------------
# -----------------------------------------------------
# -----------------------------------------------------
# RES # INTRA INTER seq med lng InterChain
MET 1 0 0.0 0.0 0.0 0.0 0.0
ALA 2 0 0.0 0.0 0.0 0.0 0.0
ASN 3 0 0.0 0.0 0.0 0.0 0.0
ASP 4 0 0.0 0.0 0.0 0.0 0.0
THR 5 0 0.0 0.0 0.0 0.0 0.0
PRO 6 0 0.0 0.0 0.0 0.0 0.0
PHE 7 0 0.0 0.0 0.0 0.0 0.0
SER 8 0 0.0 0.0 0.0 0.0 0.0
ALA 9 0 0.0 0.0 0.0 0.0 0.0
LEU 10 0 0.0 0.0 0.0 0.0 0.0
TRP 11 5 15.5 3.0 3.0 9.5 0.0
GLN 12 7 10.0 5.0 5.0 0.0 0.0
ARG 13 9 4.0 3.0 1.0 0.0 0.0
LEU 14 8 7.0 4.0 1.0 2.0 0.0
LEU 15 7 15.5 5.5 6.5 3.5 0.0
THR 16 1 5.0 3.5 1.5 0.0 0.0
ARG 17 0 1.5 1.0 0.0 0.5 0.0
GLY 18 0 0.0 0.0 0.0 0.0 0.0
TRP 19 5 19.0 1.5 0.0 17.5 0.0
GLN 20 7 7.5 1.5 1.0 5.0 0.0
PRO 21 0 13.5 3.5 0.0 10.0 0.0
VAL 22 2 22.0 7.0 1.0 14.0 0.0
GLU 23 6 17.5 7.0 5.0 5.5 0.0
ALA 24 1 12.5 3.5 2.0 7.0 0.0
SER 25 0 0.5 0.0 0.5 0.0 0.0
THR 26 1 6.0 0.5 5.5 0.0 0.0
VAL 27 3 21.5 3.5 9.5 8.5 0.0
ASP 28 3 6.5 5.0 1.5 0.0 0.0
ASP 29 3 9.0 4.0 5.0 0.0 0.0
TRP 30 6 26.5 8.0 7.0 11.5 0.0
ILE 31 7 25.5 10.0 7.0 8.5 0.0
LYS 32 12 10.5 7.0 3.5 0.0 0.0
ARG 33 7 9.0 7.5 1.5 0.0 0.0
VAL 34 3 24.0 7.0 8.0 9.0 0.0
GLY 35 0 8.0 4.0 1.5 2.5 0.0
ASP 36 2 11.0 4.5 2.0 4.5 0.0
GLY 37 0 16.5 5.5 1.5 9.5 0.0
VAL 38 1 22.5 5.5 0.5 16.5 0.0
ILE 39 5 25.0 6.0 1.5 17.5 0.0
LEU 40 7 24.0 6.5 0.5 17.0 0.0
LEU 41 4 17.5 5.5 1.5 10.5 0.0
SER 42 3 6.0 2.0 0.0 4.0 0.0
SER 43 0 0.0 0.0 0.0 0.0 0.0
ASP 44 0 0.0 0.0 0.0 0.0 0.0
PRO 45 0 0.0 0.0 0.0 0.0 0.0
ARG 46 0 0.0 0.0 0.0 0.0 0.0
ARG 47 0 0.0 0.0 0.0 0.0 0.0
THR 48 0 0.0 0.0 0.0 0.0 0.0
PRO 49 0 0.0 0.0 0.0 0.0 0.0
GLU 50 0 0.0 0.0 0.0 0.0 0.0
VAL 51 0 0.0 0.0 0.0 0.0 0.0
SER 52 0 0.0 0.0 0.0 0.0 0.0
ASP 53 0 0.0 0.0 0.0 0.0 0.0
ASN 54 0 0.0 0.0 0.0 0.0 0.0
PRO 55 0 10.5 2.5 2.5 5.5 0.0
VAL 56 1 6.5 4.5 1.5 0.5 0.0
MET 57 2 5.0 3.5 1.0 0.5 0.0
ILE 58 4 16.0 5.0 6.5 4.5 0.0
ALA 59 1 11.0 4.5 3.5 3.0 0.0
GLU 60 10 6.0 3.5 2.0 0.5 0.0
LEU 61 7 22.0 5.0 10.5 6.5 0.0
LEU 62 5 19.5 5.5 1.5 12.5 0.0
ARG 63 6 6.0 4.0 2.0 0.0 0.0
GLU 64 4 11.5 4.0 6.0 1.5 0.0
PHE 65 5 14.0 4.0 2.5 7.5 0.0
PRO 66 0 1.0 1.0 0.0 0.0 0.0
GLN 67 9 4.5 3.5 1.0 0.0 0.0
PHE 68 6 12.5 6.5 3.5 2.5 0.0
ASP 69 3 4.0 4.0 0.0 0.0 0.0
TRP 70 8 31.0 4.0 2.5 24.5 0.0
GLN 71 5 20.0 5.5 0.0 14.5 0.0
VAL 72 2 21.0 5.5 1.0 14.5 0.0
ALA 73 0 15.0 5.0 0.0 10.0 0.0
VAL 74 2 20.5 5.0 0.5 15.0 0.0
ALA 75 0 12.5 4.0 1.0 7.5 0.0
ASP 76 0 3.5 2.0 0.0 1.5 0.0
LEU 77 4 5.5 5.0 0.0 0.5 0.0
GLU 78 5 6.0 6.0 0.0 0.0 0.0
GLN 79 9 10.5 3.5 1.5 5.5 0.0
SER 80 1 10.0 2.0 3.0 5.0 0.0
GLU 81 6 2.0 2.0 0.0 0.0 0.0
ALA 82 1 6.5 3.0 3.5 0.0 0.0
ILE 83 6 20.0 5.0 5.0 10.0 0.0
GLY 84 1 12.0 4.5 1.5 6.0 0.0
ASP 85 3 6.0 2.5 3.5 0.0 0.0
ARG 86 9 7.5 6.0 1.0 0.5 0.0
PHE 87 6 23.0 7.5 6.5 9.0 0.0
ASN 88 2 6.5 5.5 1.0 0.0 0.0
VAL 89 4 17.5 2.5 3.5 11.5 0.0
ARG 90 0 0.0 0.0 0.0 0.0 0.0
ARG 91 0 0.0 0.0 0.0 0.0 0.0
PHE 92 0 0.0 0.0 0.0 0.0 0.0
PRO 93 0 1.0 1.0 0.0 0.0 0.0
ALA 94 0 12.0 3.5 0.5 8.0 0.0
THR 95 2 17.0 6.0 0.0 11.0 0.0
LEU 96 9 22.5 6.5 2.5 13.5 0.0
VAL 97 2 15.0 6.0 0.5 8.5 0.0
PHE 98 7 23.0 5.5 2.0 15.5 0.0
THR 99 1 11.5 4.5 1.5 5.5 0.0
ASP 100 4 7.5 4.5 2.5 0.5 0.0
GLY 101 0 9.0 4.0 0.5 4.5 0.0
LYS 102 17 6.5 3.0 3.0 0.5 0.0
LEU 103 4 19.0 4.5 3.0 11.5 0.0
ARG 104 6 12.5 6.0 0.0 6.5 0.0
GLY 105 0 11.5 5.0 3.0 3.5 0.0
ALA 106 0 11.0 3.0 0.0 8.0 0.0
LEU 107 5 13.5 1.0 0.0 12.5 0.0
SER 108 0 0.0 0.0 0.0 0.0 0.0
GLY 109 0 0.0 0.0 0.0 0.0 0.0
ILE 110 1 0.0 0.0 0.0 0.0 0.0
HIS 111 0 0.0 0.0 0.0 0.0 0.0
PRO 112 0 0.0 0.0 0.0 0.0 0.0
TRP 113 3 14.5 3.0 3.5 8.0 0.0
ALA 114 0 5.0 4.5 0.5 0.0 0.0
GLU 115 4 5.5 4.5 1.0 0.0 0.0
LEU 116 7 12.5 6.5 4.0 2.0 0.0
LEU 117 7 8.5 6.5 1.5 0.5 0.0
THR 118 2 5.5 4.5 1.0 0.0 0.0
LEU 119 6 7.0 5.0 1.5 0.5 0.0
MET 120 2 12.0 6.0 3.0 3.0 0.0
ARG 121 7 10.5 5.5 2.5 2.5 0.0
SER 122 3 4.0 4.0 0.0 0.0 0.0
ILE 123 6 12.5 4.5 2.5 5.5 0.0
VAL 124 3 11.0 5.5 1.5 4.0 0.0
ASP 125 3 4.5 4.0 0.5 0.0 0.0
THR 126 0 5.0 5.0 0.0 0.0 0.0
PRO 127 0 3.0 3.0 0.0 0.0 0.0
ALA 128 0 0.0 0.0 0.0 0.0 0.0
ALA 129 0 0.0 0.0 0.0 0.0 0.0
GLN 130 0 0.0 0.0 0.0 0.0 0.0
GLU 131 0 0.0 0.0 0.0 0.0 0.0
THR 132 0 0.0 0.0 0.0 0.0 0.0
VAL 133 0 0.0 0.0 0.0 0.0 0.0
GLN 134 0 0.0 0.0 0.0 0.0 0.0
LEU 135 0 0.0 0.0 0.0 0.0 0.0
GLU 136 0 0.0 0.0 0.0 0.0 0.0
HIS 137 0 0.0 0.0 0.0 0.0 0.0
HIS 138 0 0.0 0.0 0.0 0.0 0.0
HIS 139 0 0.0 0.0 0.0 0.0 0.0
HIS 140 0 0.0 0.0 0.0 0.0 0.0
HIS 141 0 0.0 0.0 0.0 0.0 0.0
HIS 142 0 0.0 0.0 0.0 0.0 0.0
# TOTAL 373 1140.0 424.0 206.0 510.0 0.0
# TOTAL NUMBER OF RESTRAINTS (CHECKING): 1513.0
List of conformationally-resticting NOE constraints
assign ((resid 11 and name HN )) ( (resid 11 and name HB2 )) 2.73 0.94 0.94
assign ((resid 11 and name HN )) ( (resid 11 and name HB1 )) 2.73 0.94 0.94
assign ((resid 11 and name HN )) ( (resid 12 and name HN )) 2.84 1.05 1.05
assign ((resid 11 and name HA )) ( (resid 11 and name HE3 )) 3.32 1.53 1.53
assign ((resid 11 and name HA )) ( (resid 11 and name HZ3 )) 3.65 1.85 1.85
assign ((resid 11 and name HA )) ( (resid 14 and name HD2* )) 3.31 1.51 1.51
assign ((resid 11 and name HB2 )) ( (resid 12 and name HN )) 2.81 1.02 1.02
assign ((resid 11 and name HB1 )) ( (resid 12 and name HN )) 2.81 1.02 1.02
assign ((resid 11 and name HB* )) ( (resid 11 and name HZ3 )) 3.86 2.06 2.06
assign ((resid 11 and name HD1 )) ( (resid 12 and name HN )) 3.65 1.85 1.85
assign ((resid 11 and name HD1 )) ( (resid 12 and name HB* )) 4.09 2.29 2.29
assign ((resid 11 and name HD1 )) ( (resid 15 and name HD1* )) 4.16 2.37 2.37
assign ((resid 11 and name HE3 )) ( (resid 14 and name HD2* )) 3.90 2.10 2.10
assign ((resid 11 and name HE1 )) ( (resid 12 and name HN )) 3.65 1.85 1.85
assign ((resid 11 and name HE1 )) ( (resid 15 and name HD1* )) 2.81 1.02 1.02
assign ((resid 11 and name HE1 )) ( (resid 15 and name HD2* )) 2.83 1.03 1.03
assign ((resid 11 and name HE1 )) ( (resid 21 and name HB* )) 4.09 2.29 2.29
assign ((resid 11 and name HZ3 )) ( (resid 74 and name HB )) 3.65 1.85 1.85
assign ((resid 11 and name HZ3 )) ( (resid 74 and name HG1* )) 4.16 2.37 2.37
assign ((resid 11 and name HZ3 )) ( (resid 74 and name HG2* )) 3.91 2.12 2.12
assign ((resid 11 and name HZ2 )) ( (resid 15 and name HD1* )) 3.63 1.84 1.84
assign ((resid 11 and name HZ2 )) ( (resid 21 and name HA )) 3.65 1.85 1.85
assign ((resid 11 and name HZ2 )) ( (resid 21 and name HB2 )) 3.59 1.79 1.79
assign ((resid 11 and name HZ2 )) ( (resid 21 and name HB1 )) 3.59 1.79 1.79
assign ((resid 11 and name HZ2 )) ( (resid 21 and name HG2 )) 3.65 1.85 1.85
assign ((resid 11 and name HZ2 )) ( (resid 21 and name HG1 )) 3.65 1.85 1.85
assign ((resid 11 and name HZ2 )) ( (resid 76 and name HN )) 3.65 1.85 1.85
assign ((resid 11 and name HH2 )) ( (resid 21 and name HA )) 3.65 1.85 1.85
assign ((resid 11 and name HH2 )) ( (resid 21 and name HB2 )) 3.65 1.85 1.85
assign ((resid 11 and name HH2 )) ( (resid 21 and name HB1 )) 3.65 1.85 1.85
assign ((resid 11 and name HH2 )) ( (resid 21 and name HG* )) 4.09 2.29 2.29
assign ((resid 11 and name HH2 )) ( (resid 74 and name HG1* )) 3.31 1.51 1.51
assign ((resid 11 and name HH2 )) ( (resid 74 and name HG2* )) 3.85 2.06 2.06
assign ((resid 11 and name HH2 )) ( (resid 75 and name HA )) 3.65 1.85 1.85
assign ((resid 11 and name HH2 )) ( (resid 76 and name HN )) 3.65 1.85 1.85
assign ((resid 11 and name HH2 )) ( (resid 76 and name HA )) 3.65 1.85 1.85
assign ((resid 12 and name HN )) ( (resid 12 and name HB2 )) 2.59 0.80 0.80
assign ((resid 12 and name HN )) ( (resid 12 and name HB1 )) 2.59 0.80 0.80
assign ((resid 12 and name HN )) ( (resid 12 and name HB* )) 2.40 0.60 0.60
assign ((resid 12 and name HN )) ( (resid 12 and name HG2 )) 3.46 1.67 1.67
assign ((resid 12 and name HN )) ( (resid 12 and name HG1 )) 3.46 1.67 1.67
assign ((resid 12 and name HN )) ( (resid 12 and name HG* )) 3.20 1.41 1.41
assign ((resid 12 and name HN )) ( (resid 13 and name HN )) 2.73 0.94 0.94
assign ((resid 12 and name HA )) ( (resid 12 and name HE2* )) 4.08 2.29 2.29
assign ((resid 12 and name HA )) ( (resid 15 and name HN )) 2.90 1.11 1.11
assign ((resid 12 and name HA )) ( (resid 15 and name HB2 )) 3.09 1.29 1.29
assign ((resid 12 and name HA )) ( (resid 15 and name HB1 )) 3.09 1.29 1.29
assign ((resid 12 and name HA )) ( (resid 15 and name HB* )) 2.73 0.94 0.94
assign ((resid 12 and name HA )) ( (resid 15 and name HG )) 3.65 1.85 1.85
assign ((resid 12 and name HA )) ( (resid 15 and name HD1* )) 3.42 1.62 1.62
assign ((resid 12 and name HB2 )) ( (resid 13 and name HN )) 3.09 1.29 1.29
assign ((resid 12 and name HB1 )) ( (resid 13 and name HN )) 3.09 1.29 1.29
assign ((resid 12 and name HB* )) ( (resid 13 and name HN )) 2.70 0.90 0.90
assign ((resid 12 and name HG2 )) ( (resid 15 and name HD2* )) 4.16 2.37 2.37
assign ((resid 12 and name HG1 )) ( (resid 15 and name HD2* )) 4.16 2.37 2.37
assign ((resid 12 and name HG* )) ( (resid 15 and name HD1* )) 4.60 2.81 2.81
assign ((resid 12 and name HG* )) ( (resid 16 and name HB )) 4.09 2.29 2.29
assign ((resid 13 and name HN )) ( (resid 13 and name HB2 )) 2.81 1.02 1.02
assign ((resid 13 and name HN )) ( (resid 13 and name HB1 )) 2.81 1.02 1.02
assign ((resid 13 and name HN )) ( (resid 13 and name HB* )) 2.63 0.84 0.84
assign ((resid 13 and name HN )) ( (resid 13 and name HG2 )) 3.65 1.85 1.85
assign ((resid 13 and name HN )) ( (resid 13 and name HG1 )) 3.65 1.85 1.85
assign ((resid 13 and name HN )) ( (resid 13 and name HG* )) 3.30 1.51 1.51
assign ((resid 13 and name HN )) ( (resid 13 and name HD2 )) 3.65 1.85 1.85
assign ((resid 13 and name HN )) ( (resid 13 and name HD1 )) 3.65 1.85 1.85
assign ((resid 13 and name HN )) ( (resid 14 and name HN )) 3.00 1.20 1.20
assign ((resid 13 and name HA )) ( (resid 16 and name HB )) 2.67 0.88 0.88
assign ((resid 13 and name HA )) ( (resid 16 and name HG2* )) 4.13 2.34 2.34
assign ((resid 13 and name HB* )) ( (resid 13 and name HG* )) 2.14 0.34 0.34
assign ((resid 13 and name HG* )) ( (resid 14 and name HG )) 3.58 1.78 1.78
assign ((resid 14 and name HN )) ( (resid 14 and name HB2 )) 2.89 1.09 1.09
assign ((resid 14 and name HN )) ( (resid 14 and name HB1 )) 2.89 1.09 1.09
assign ((resid 14 and name HN )) ( (resid 14 and name HB* )) 2.76 0.97 0.97
assign ((resid 14 and name HN )) ( (resid 14 and name HG )) 3.65 1.85 1.85
assign ((resid 14 and name HN )) ( (resid 14 and name HD1* )) 3.36 1.56 1.56
assign ((resid 14 and name HN )) ( (resid 14 and name HD2* )) 3.59 1.79 1.79
assign ((resid 14 and name HN )) ( (resid 15 and name HN )) 2.72 0.92 0.92
assign ((resid 14 and name HA )) ( (resid 14 and name HD1* )) 3.00 1.20 1.20
assign ((resid 14 and name HA )) ( (resid 14 and name HD2* )) 3.18 1.39 1.39
assign ((resid 14 and name HB2 )) ( (resid 15 and name HN )) 2.80 1.00 1.00
assign ((resid 14 and name HB1 )) ( (resid 15 and name HN )) 2.80 1.00 1.00
assign ((resid 14 and name HB* )) ( (resid 15 and name HN )) 2.67 0.87 0.87
assign ((resid 14 and name HB* )) ( (resid 74 and name HG2* )) 4.60 2.81 2.81
assign ((resid 14 and name HG )) ( (resid 55 and name HG* )) 4.09 2.29 2.29
assign ((resid 14 and name HD1* )) ( (resid 15 and name HN )) 4.04 2.24 2.24
assign ((resid 14 and name HD1* )) ( (resid 19 and name HE3 )) 3.22 1.42 1.42
assign ((resid 14 and name HD1* )) ( (resid 19 and name HZ3 )) 3.29 1.50 1.50
assign ((resid 14 and name HD2* )) ( (resid 15 and name HN )) 4.16 2.37 2.37
assign ((resid 15 and name HN )) ( (resid 15 and name HB2 )) 2.75 0.95 0.95
assign ((resid 15 and name HN )) ( (resid 15 and name HB1 )) 2.75 0.95 0.95
assign ((resid 15 and name HN )) ( (resid 15 and name HB* )) 2.56 0.77 0.77
assign ((resid 15 and name HN )) ( (resid 15 and name HG )) 2.81 1.02 1.02
assign ((resid 15 and name HN )) ( (resid 15 and name HD2* )) 2.92 1.13 1.13
assign ((resid 15 and name HN )) ( (resid 16 and name HN )) 2.64 0.85 0.85
assign ((resid 15 and name HA )) ( (resid 15 and name HD1* )) 3.49 1.70 1.70
assign ((resid 15 and name HA )) ( (resid 15 and name HD2* )) 2.89 1.10 1.10
assign ((resid 15 and name HB2 )) ( (resid 16 and name HN )) 3.62 1.82 1.82
assign ((resid 15 and name HB1 )) ( (resid 16 and name HN )) 3.62 1.82 1.82
assign ((resid 15 and name HB* )) ( (resid 16 and name HN )) 3.50 1.70 1.70
assign ((resid 15 and name HG )) ( (resid 16 and name HN )) 3.65 1.85 1.85
assign ((resid 15 and name HD1* )) ( (resid 21 and name HG* )) 3.59 1.80 1.80
assign ((resid 15 and name HD2* )) ( (resid 20 and name HE2* )) 4.60 2.80 2.80
assign ((resid 15 and name HD2* )) ( (resid 21 and name HG2 )) 3.67 1.87 1.87
assign ((resid 15 and name HD2* )) ( (resid 21 and name HG1 )) 3.67 1.87 1.87
assign ((resid 15 and name HD2* )) ( (resid 21 and name HG* )) 3.52 1.72 1.72
assign ((resid 15 and name HD2* )) ( (resid 21 and name HD2 )) 4.10 2.30 2.30
assign ((resid 15 and name HD2* )) ( (resid 21 and name HD1 )) 4.10 2.30 2.30
assign ((resid 16 and name HN )) ( (resid 16 and name HB )) 2.89 1.09 1.09
assign ((resid 16 and name HN )) ( (resid 17 and name HN )) 3.43 1.64 1.64
assign ((resid 16 and name HB )) ( (resid 17 and name HN )) 3.24 1.45 1.45
assign ((resid 17 and name HD* )) ( (resid 57 and name HN )) 4.09 2.29 2.29
assign ((resid 19 and name HN )) ( (resid 19 and name HD1 )) 3.65 1.85 1.85
assign ((resid 19 and name HN )) ( (resid 19 and name HE3 )) 3.65 1.85 1.85
assign ((resid 19 and name HN )) ( (resid 19 and name HE1 )) 3.41 1.62 1.62
assign ((resid 19 and name HA )) ( (resid 19 and name HD1 )) 3.12 1.33 1.33
assign ((resid 19 and name HA )) ( (resid 19 and name HE1 )) 3.65 1.85 1.85
assign ((resid 19 and name HA )) ( (resid 20 and name HN )) 2.59 0.80 0.80
assign ((resid 19 and name HA )) ( (resid 72 and name HG2* )) 3.68 1.89 1.89
assign ((resid 19 and name HA )) ( (resid 73 and name HA )) 2.84 1.05 1.05
assign ((resid 19 and name HB2 )) ( (resid 20 and name HN )) 2.97 1.17 1.17
assign ((resid 19 and name HB2 )) ( (resid 74 and name HG1* )) 4.15 2.35 2.35
assign ((resid 19 and name HB2 )) ( (resid 74 and name HG2* )) 4.16 2.37 2.37
assign ((resid 19 and name HB1 )) ( (resid 20 and name HN )) 2.64 0.85 0.85
assign ((resid 19 and name HB1 )) ( (resid 74 and name HG1* )) 4.16 2.37 2.37
assign ((resid 19 and name HB1 )) ( (resid 74 and name HG2* )) 4.16 2.37 2.37
assign ((resid 19 and name HD1 )) ( (resid 72 and name HB )) 2.75 0.95 0.95
assign ((resid 19 and name HD1 )) ( (resid 72 and name HG1* )) 4.16 2.37 2.37
assign ((resid 19 and name HD1 )) ( (resid 72 and name HG2* )) 4.16 2.37 2.37
assign ((resid 19 and name HE3 )) ( (resid 74 and name HG1* )) 4.16 2.37 2.37
assign ((resid 19 and name HE1 )) ( (resid 58 and name HG2* )) 3.23 1.44 1.44
assign ((resid 19 and name HE1 )) ( (resid 59 and name HB* )) 3.63 1.84 1.84
assign ((resid 19 and name HE1 )) ( (resid 72 and name HN )) 3.65 1.85 1.85
assign ((resid 19 and name HE1 )) ( (resid 72 and name HG2* )) 3.28 1.48 1.48
assign ((resid 19 and name HZ3 )) ( (resid 40 and name HD1* )) 3.91 2.12 2.12
assign ((resid 19 and name HZ3 )) ( (resid 40 and name HD2* )) 4.15 2.35 2.35
assign ((resid 19 and name HZ3 )) ( (resid 55 and name HB2 )) 3.65 1.85 1.85
assign ((resid 19 and name HZ3 )) ( (resid 55 and name HB1 )) 3.65 1.85 1.85
assign ((resid 19 and name HZ3 )) ( (resid 74 and name HG1* )) 4.16 2.37 2.37
assign ((resid 19 and name HZ2 )) ( (resid 58 and name HB )) 3.65 1.85 1.85
assign ((resid 19 and name HZ2 )) ( (resid 58 and name HG2* )) 4.16 2.37 2.37
assign ((resid 19 and name HZ2 )) ( (resid 59 and name HN )) 3.65 1.85 1.85
assign ((resid 19 and name HZ2 )) ( (resid 59 and name HA )) 3.65 1.85 1.85
assign ((resid 19 and name HZ2 )) ( (resid 59 and name HB* )) 3.43 1.64 1.64
assign ((resid 19 and name HZ2 )) ( (resid 72 and name HG2* )) 4.16 2.37 2.37
assign ((resid 19 and name HH2 )) ( (resid 40 and name HG )) 3.65 1.85 1.85
assign ((resid 19 and name HH2 )) ( (resid 40 and name HD1* )) 4.11 2.32 2.32
assign ((resid 19 and name HH2 )) ( (resid 40 and name HD2* )) 3.90 2.10 2.10
assign ((resid 19 and name HH2 )) ( (resid 55 and name HB2 )) 3.65 1.85 1.85
assign ((resid 19 and name HH2 )) ( (resid 55 and name HG* )) 4.09 2.29 2.29
assign ((resid 19 and name HH2 )) ( (resid 56 and name HA )) 3.65 1.85 1.85
assign ((resid 19 and name HH2 )) ( (resid 59 and name HN )) 3.65 1.85 1.85
assign ((resid 19 and name HH2 )) ( (resid 59 and name HB* )) 3.96 2.16 2.16
assign ((resid 20 and name HN )) ( (resid 20 and name HB2 )) 2.58 0.78 0.78
assign ((resid 20 and name HN )) ( (resid 20 and name HB1 )) 2.58 0.78 0.78
assign ((resid 20 and name HN )) ( (resid 20 and name HB* )) 2.47 0.68 0.68
assign ((resid 20 and name HN )) ( (resid 20 and name HG2 )) 3.65 1.85 1.85
assign ((resid 20 and name HN )) ( (resid 20 and name HG1 )) 3.65 1.85 1.85
assign ((resid 20 and name HN )) ( (resid 20 and name HG* )) 3.47 1.67 1.67
assign ((resid 20 and name HN )) ( (resid 73 and name HA )) 2.52 0.72 0.72
assign ((resid 20 and name HA )) ( (resid 20 and name HE2* )) 4.08 2.29 2.29
assign ((resid 20 and name HB2 )) ( (resid 30 and name HE1 )) 3.65 1.85 1.85
assign ((resid 20 and name HB2 )) ( (resid 73 and name HA )) 3.65 1.85 1.85
assign ((resid 20 and name HB2 )) ( (resid 73 and name HB* )) 4.16 2.37 2.37
assign ((resid 20 and name HB1 )) ( (resid 30 and name HE1 )) 3.65 1.85 1.85
assign ((resid 20 and name HB1 )) ( (resid 73 and name HA )) 3.65 1.85 1.85
assign ((resid 20 and name HB1 )) ( (resid 73 and name HB* )) 4.16 2.37 2.37
assign ((resid 20 and name HB* )) ( (resid 30 and name HE1 )) 3.52 1.73 1.73
assign ((resid 20 and name HG2 )) ( (resid 22 and name HG1* )) 4.16 2.37 2.37
assign ((resid 20 and name HG1 )) ( (resid 22 and name HG1* )) 4.16 2.37 2.37
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assign ((resid 103 and name HN )) ( (resid 103 and name HB* )) 2.77 0.98 0.98
assign ((resid 103 and name HN )) ( (resid 103 and name HG )) 3.65 1.85 1.85
assign ((resid 103 and name HA )) ( (resid 103 and name HD1* )) 3.01 1.22 1.22
assign ((resid 103 and name HA )) ( (resid 103 and name HD2* )) 3.79 1.99 1.99
assign ((resid 103 and name HA )) ( (resid 104 and name HN )) 2.31 0.52 0.52
assign ((resid 103 and name HA )) ( (resid 105 and name HN )) 2.90 1.11 1.11
assign ((resid 103 and name HB* )) ( (resid 104 and name HN )) 3.61 1.81 1.81
assign ((resid 103 and name HG )) ( (resid 104 and name HN )) 3.65 1.85 1.85
assign ((resid 103 and name HG )) ( (resid 105 and name HN )) 3.63 1.84 1.84
assign ((resid 103 and name HD1* )) ( (resid 104 and name HN )) 3.01 1.22 1.22
assign ((resid 103 and name HD1* )) ( (resid 104 and name HA )) 4.16 2.37 2.37
assign ((resid 103 and name HD1* )) ( (resid 105 and name HN )) 2.74 0.94 0.94
assign ((resid 103 and name HD1* )) ( (resid 105 and name HA* )) 4.60 2.81 2.81
assign ((resid 103 and name HD2* )) ( (resid 104 and name HN )) 4.16 2.37 2.37
assign ((resid 103 and name HD2* )) ( (resid 105 and name HN )) 3.94 2.15 2.15
assign ((resid 103 and name HD2* )) ( (resid 105 and name HA* )) 4.60 2.81 2.81
assign ((resid 104 and name HN )) ( (resid 104 and name HB2 )) 2.97 1.17 1.17
assign ((resid 104 and name HN )) ( (resid 104 and name HB1 )) 2.97 1.17 1.17
assign ((resid 104 and name HN )) ( (resid 104 and name HB* )) 2.76 0.97 0.97
assign ((resid 104 and name HN )) ( (resid 104 and name HG2 )) 3.65 1.85 1.85
assign ((resid 104 and name HN )) ( (resid 104 and name HG1 )) 3.65 1.85 1.85
assign ((resid 104 and name HN )) ( (resid 105 and name HN )) 2.28 0.49 0.49
assign ((resid 104 and name HA )) ( (resid 104 and name HD* )) 3.27 1.47 1.47
assign ((resid 104 and name HB2 )) ( (resid 105 and name HN )) 2.83 1.03 1.03
assign ((resid 104 and name HB2 )) ( (resid 123 and name HG2* )) 3.76 1.96 1.96
assign ((resid 104 and name HB2 )) ( (resid 123 and name HD1* )) 3.74 1.95 1.95
assign ((resid 104 and name HB1 )) ( (resid 105 and name HN )) 2.83 1.03 1.03
assign ((resid 104 and name HB1 )) ( (resid 123 and name HG2* )) 3.76 1.96 1.96
assign ((resid 104 and name HB1 )) ( (resid 123 and name HD1* )) 3.74 1.95 1.95
assign ((resid 104 and name HB* )) ( (resid 105 and name HN )) 2.71 0.92 0.92
assign ((resid 104 and name HB* )) ( (resid 123 and name HG2* )) 3.65 1.85 1.85
assign ((resid 104 and name HB* )) ( (resid 123 and name HD1* )) 3.56 1.77 1.77
assign ((resid 104 and name HG2 )) ( (resid 105 and name HN )) 3.65 1.85 1.85
assign ((resid 104 and name HG1 )) ( (resid 105 and name HN )) 3.65 1.85 1.85
assign ((resid 104 and name HG* )) ( (resid 123 and name HG2* )) 4.60 2.81 2.81
assign ((resid 104 and name HD* )) ( (resid 123 and name HG2* )) 4.60 2.81 2.81
assign ((resid 105 and name HN )) ( (resid 106 and name HN )) 3.31 1.51 1.51
assign ((resid 105 and name HN )) ( (resid 123 and name HG2* )) 3.31 1.51 1.51
assign ((resid 105 and name HA2 )) ( (resid 106 and name HN )) 2.59 0.80 0.80
assign ((resid 105 and name HA1 )) ( (resid 106 and name HN )) 2.59 0.80 0.80
assign ((resid 105 and name HA* )) ( (resid 106 and name HB* )) 4.14 2.34 2.34
assign ((resid 105 and name HA* )) ( (resid 123 and name HD1* )) 4.23 2.43 2.43
assign ((resid 106 and name HA )) ( (resid 107 and name HN )) 2.28 0.49 0.49
assign ((resid 106 and name HB* )) ( (resid 107 and name HN )) 2.74 0.94 0.94
assign ((resid 107 and name HN )) ( (resid 107 and name HB2 )) 2.55 0.75 0.75
assign ((resid 107 and name HN )) ( (resid 107 and name HB1 )) 2.64 0.85 0.85
assign ((resid 107 and name HN )) ( (resid 107 and name HD* )) 3.60 1.80 1.80
assign ((resid 107 and name HB2 )) ( (resid 107 and name HG )) 2.38 0.58 0.58
assign ((resid 107 and name HB1 )) ( (resid 107 and name HG )) 2.10 0.30 0.30
assign ((resid 107 and name HD1* )) ( (resid 116 and name HA )) 4.16 2.37 2.37
assign ((resid 107 and name HD1* )) ( (resid 120 and name HA )) 3.56 1.76 1.76
assign ((resid 107 and name HD2* )) ( (resid 116 and name HA )) 4.16 2.37 2.37
assign ((resid 107 and name HD2* )) ( (resid 120 and name HA )) 3.56 1.76 1.76
assign ((resid 107 and name HD* )) ( (resid 116 and name HA )) 3.85 2.06 2.06
assign ((resid 107 and name HD* )) ( (resid 119 and name HG )) 4.17 2.38 2.38
assign ((resid 107 and name HD* )) ( (resid 120 and name HN )) 3.58 1.79 1.79
assign ((resid 107 and name HD* )) ( (resid 120 and name HA )) 3.36 1.56 1.56
assign ((resid 107 and name HD* )) ( (resid 120 and name HB* )) 5.39 3.59 3.59
assign ((resid 110 and name HG2* )) ( (resid 110 and name HD1* )) 3.13 1.33 1.33
assign ((resid 113 and name HA )) ( (resid 113 and name HD1 )) 3.65 1.85 1.85
assign ((resid 113 and name HA )) ( (resid 113 and name HE3 )) 3.54 1.74 1.74
assign ((resid 113 and name HA )) ( (resid 113 and name HE1 )) 3.65 1.85 1.85
assign ((resid 113 and name HA )) ( (resid 116 and name HN )) 3.24 1.45 1.45
assign ((resid 113 and name HB2 )) ( (resid 114 and name HN )) 3.41 1.62 1.62
assign ((resid 113 and name HB1 )) ( (resid 114 and name HN )) 3.41 1.62 1.62
assign ((resid 113 and name HB* )) ( (resid 114 and name HN )) 3.12 1.32 1.32
assign ((resid 113 and name HD1 )) ( (resid 114 and name HN )) 3.65 1.85 1.85
assign ((resid 113 and name HD1 )) ( (resid 114 and name HB* )) 4.11 2.32 2.32
assign ((resid 113 and name HD1 )) ( (resid 115 and name HN )) 3.65 1.85 1.85
assign ((resid 113 and name HE3 )) ( (resid 114 and name HN )) 3.65 1.85 1.85
assign ((resid 113 and name HE3 )) ( (resid 116 and name HD2* )) 4.16 2.37 2.37
assign ((resid 113 and name HE1 )) ( (resid 117 and name HD2* )) 2.75 0.96 0.96
assign ((resid 113 and name HZ2 )) ( (resid 116 and name HD2* )) 3.49 1.70 1.70
assign ((resid 113 and name HZ2 )) ( (resid 117 and name HD2* )) 3.31 1.51 1.51
assign ((resid 113 and name HH2 )) ( (resid 116 and name HD2* )) 3.98 2.18 2.18
assign ((resid 114 and name HN )) ( (resid 115 and name HN )) 3.10 1.31 1.31
assign ((resid 114 and name HA )) ( (resid 117 and name HB* )) 3.28 1.49 1.49
assign ((resid 114 and name HB* )) ( (resid 115 and name HN )) 3.05 1.25 1.25
assign ((resid 114 and name HB* )) ( (resid 115 and name HG* )) 4.12 2.33 2.33
assign ((resid 115 and name HN )) ( (resid 115 and name HB2 )) 2.98 1.19 1.19
assign ((resid 115 and name HN )) ( (resid 115 and name HB1 )) 2.98 1.19 1.19
assign ((resid 115 and name HN )) ( (resid 115 and name HG* )) 3.14 1.35 1.35
assign ((resid 115 and name HN )) ( (resid 116 and name HN )) 2.39 0.60 0.60
assign ((resid 115 and name HA )) ( (resid 115 and name HG* )) 2.87 1.08 1.08
assign ((resid 115 and name HB2 )) ( (resid 116 and name HN )) 3.65 1.85 1.85
assign ((resid 115 and name HB1 )) ( (resid 116 and name HN )) 3.65 1.85 1.85
assign ((resid 115 and name HB* )) ( (resid 119 and name HD1* )) 4.60 2.81 2.81
assign ((resid 115 and name HG2 )) ( (resid 116 and name HN )) 3.65 1.85 1.85
assign ((resid 115 and name HG1 )) ( (resid 116 and name HN )) 3.65 1.85 1.85
assign ((resid 115 and name HG* )) ( (resid 116 and name HN )) 3.22 1.43 1.43
assign ((resid 116 and name HN )) ( (resid 116 and name HB2 )) 2.56 0.77 0.77
assign ((resid 116 and name HN )) ( (resid 116 and name HB1 )) 2.56 0.77 0.77
assign ((resid 116 and name HN )) ( (resid 116 and name HB* )) 2.46 0.66 0.66
assign ((resid 116 and name HN )) ( (resid 116 and name HG )) 3.24 1.45 1.45
assign ((resid 116 and name HN )) ( (resid 116 and name HD1* )) 3.54 1.75 1.75
assign ((resid 116 and name HN )) ( (resid 117 and name HN )) 2.45 0.66 0.66
assign ((resid 116 and name HN )) ( (resid 117 and name HB* )) 3.64 1.84 1.84
assign ((resid 116 and name HA )) ( (resid 116 and name HD1* )) 3.23 1.44 1.44
assign ((resid 116 and name HA )) ( (resid 116 and name HD2* )) 3.26 1.47 1.47
assign ((resid 116 and name HA )) ( (resid 119 and name HN )) 2.84 1.05 1.05
assign ((resid 116 and name HA )) ( (resid 120 and name HN )) 2.66 0.86 0.86
assign ((resid 116 and name HB2 )) ( (resid 117 and name HN )) 2.76 0.97 0.97
assign ((resid 116 and name HB1 )) ( (resid 117 and name HN )) 2.76 0.97 0.97
assign ((resid 116 and name HB* )) ( (resid 117 and name HN )) 2.60 0.80 0.80
assign ((resid 116 and name HG )) ( (resid 117 and name HN )) 3.65 1.85 1.85
assign ((resid 116 and name HD2* )) ( (resid 117 and name HN )) 4.16 2.37 2.37
assign ((resid 116 and name HD2* )) ( (resid 120 and name HB* )) 4.35 2.56 2.56
assign ((resid 116 and name HD2* )) ( (resid 120 and name HG* )) 4.60 2.81 2.81
assign ((resid 117 and name HN )) ( (resid 117 and name HB2 )) 2.69 0.89 0.89
assign ((resid 117 and name HN )) ( (resid 117 and name HB1 )) 2.69 0.89 0.89
assign ((resid 117 and name HN )) ( (resid 117 and name HB* )) 2.52 0.72 0.72
assign ((resid 117 and name HN )) ( (resid 117 and name HG )) 2.83 1.03 1.03
assign ((resid 117 and name HN )) ( (resid 117 and name HD2* )) 2.92 1.13 1.13
assign ((resid 117 and name HN )) ( (resid 118 and name HN )) 2.52 0.72 0.72
assign ((resid 117 and name HA )) ( (resid 117 and name HD1* )) 3.26 1.47 1.47
assign ((resid 117 and name HA )) ( (resid 117 and name HD2* )) 2.92 1.13 1.13
assign ((resid 117 and name HB2 )) ( (resid 118 and name HN )) 2.70 0.91 0.91
assign ((resid 117 and name HB1 )) ( (resid 118 and name HN )) 2.70 0.91 0.91
assign ((resid 117 and name HG )) ( (resid 118 and name HN )) 3.65 1.85 1.85
assign ((resid 117 and name HD1* )) ( (resid 118 and name HN )) 4.01 2.21 2.21
assign ((resid 117 and name HD2* )) ( (resid 118 and name HN )) 3.77 1.98 1.98
assign ((resid 118 and name HN )) ( (resid 118 and name HB )) 2.36 0.57 0.57
assign ((resid 118 and name HN )) ( (resid 118 and name HG2* )) 3.26 1.47 1.47
assign ((resid 118 and name HN )) ( (resid 119 and name HN )) 2.48 0.69 0.69
assign ((resid 118 and name HA )) ( (resid 121 and name HN )) 2.92 1.12 1.12
assign ((resid 118 and name HA )) ( (resid 121 and name HB* )) 2.97 1.18 1.18
assign ((resid 118 and name HB )) ( (resid 119 and name HN )) 2.53 0.74 0.74
assign ((resid 118 and name HG2* )) ( (resid 119 and name HN )) 3.45 1.65 1.65
assign ((resid 119 and name HN )) ( (resid 119 and name HB* )) 2.67 0.87 0.87
assign ((resid 119 and name HN )) ( (resid 119 and name HG )) 3.65 1.85 1.85
assign ((resid 119 and name HN )) ( (resid 119 and name HD1* )) 3.77 1.98 1.98
assign ((resid 119 and name HN )) ( (resid 119 and name HD2* )) 3.09 1.30 1.30
assign ((resid 119 and name HN )) ( (resid 120 and name HN )) 2.45 0.66 0.66
assign ((resid 119 and name HA )) ( (resid 119 and name HD1* )) 3.23 1.44 1.44
assign ((resid 119 and name HA )) ( (resid 119 and name HD2* )) 2.95 1.16 1.16
assign ((resid 119 and name HB2 )) ( (resid 120 and name HN )) 2.64 0.85 0.85
assign ((resid 119 and name HB1 )) ( (resid 120 and name HN )) 2.64 0.85 0.85
assign ((resid 119 and name HB* )) ( (resid 120 and name HN )) 2.40 0.60 0.60
assign ((resid 119 and name HG )) ( (resid 120 and name HN )) 3.65 1.85 1.85
assign ((resid 119 and name HD1* )) ( (resid 120 and name HN )) 4.16 2.37 2.37
assign ((resid 119 and name HD1* )) ( (resid 123 and name HD1* )) 3.62 1.83 1.83
assign ((resid 119 and name HD2* )) ( (resid 120 and name HN )) 4.16 2.37 2.37
assign ((resid 120 and name HN )) ( (resid 120 and name HG2 )) 3.65 1.85 1.85
assign ((resid 120 and name HN )) ( (resid 120 and name HG1 )) 3.65 1.85 1.85
assign ((resid 120 and name HN )) ( (resid 121 and name HN )) 2.55 0.75 0.75
assign ((resid 120 and name HA )) ( (resid 121 and name HN )) 2.70 0.91 0.91
assign ((resid 120 and name HA )) ( (resid 123 and name HB )) 3.01 1.22 1.22
assign ((resid 120 and name HA )) ( (resid 123 and name HG1* )) 4.09 2.29 2.29
assign ((resid 120 and name HA )) ( (resid 123 and name HD1* )) 3.49 1.70 1.70
assign ((resid 120 and name HG2 )) ( (resid 121 and name HN )) 3.65 1.85 1.85
assign ((resid 120 and name HG1 )) ( (resid 121 and name HN )) 3.65 1.85 1.85
assign ((resid 120 and name HG* )) ( (resid 121 and name HN )) 3.58 1.79 1.79
assign ((resid 121 and name HN )) ( (resid 121 and name HB2 )) 2.53 0.74 0.74
assign ((resid 121 and name HN )) ( (resid 121 and name HB1 )) 2.53 0.74 0.74
assign ((resid 121 and name HN )) ( (resid 121 and name HB* )) 2.33 0.53 0.53
assign ((resid 121 and name HN )) ( (resid 121 and name HG2 )) 3.65 1.85 1.85
assign ((resid 121 and name HN )) ( (resid 121 and name HG1 )) 3.65 1.85 1.85
assign ((resid 121 and name HN )) ( (resid 122 and name HN )) 2.45 0.66 0.66
assign ((resid 121 and name HA )) ( (resid 121 and name HD2 )) 3.65 1.85 1.85
assign ((resid 121 and name HA )) ( (resid 121 and name HD1 )) 3.65 1.85 1.85
assign ((resid 121 and name HA )) ( (resid 124 and name HN )) 2.97 1.17 1.17
assign ((resid 121 and name HA )) ( (resid 124 and name HG1* )) 4.16 2.37 2.37
assign ((resid 121 and name HA )) ( (resid 124 and name HG2* )) 3.88 2.09 2.09
assign ((resid 121 and name HB* )) ( (resid 122 and name HN )) 2.91 1.11 1.11
assign ((resid 121 and name HG2 )) ( (resid 122 and name HN )) 3.65 1.85 1.85
assign ((resid 121 and name HG1 )) ( (resid 122 and name HN )) 3.65 1.85 1.85
assign ((resid 121 and name HD2 )) ( (resid 122 and name HN )) 3.65 1.85 1.85
assign ((resid 121 and name HD1 )) ( (resid 122 and name HN )) 3.65 1.85 1.85
assign ((resid 122 and name HN )) ( (resid 122 and name HB2 )) 2.45 0.66 0.66
assign ((resid 122 and name HN )) ( (resid 122 and name HB1 )) 2.45 0.66 0.66
assign ((resid 122 and name HN )) ( (resid 122 and name HB* )) 2.27 0.48 0.48
assign ((resid 122 and name HN )) ( (resid 123 and name HN )) 2.53 0.74 0.74
assign ((resid 122 and name HB* )) ( (resid 123 and name HN )) 3.03 1.24 1.24
assign ((resid 123 and name HN )) ( (resid 123 and name HB )) 2.35 0.55 0.55
assign ((resid 123 and name HN )) ( (resid 123 and name HG12 )) 3.21 1.42 1.42
assign ((resid 123 and name HN )) ( (resid 123 and name HG11 )) 3.21 1.42 1.42
assign ((resid 123 and name HN )) ( (resid 123 and name HG1* )) 2.91 1.12 1.12
assign ((resid 123 and name HN )) ( (resid 123 and name HD1* )) 3.05 1.25 1.25
assign ((resid 123 and name HN )) ( (resid 124 and name HN )) 2.41 0.61 0.61
assign ((resid 123 and name HN )) ( (resid 124 and name HG1* )) 4.16 2.37 2.37
assign ((resid 123 and name HN )) ( (resid 124 and name HG2* )) 3.59 1.79 1.79
assign ((resid 123 and name HN )) ( (resid 125 and name HN )) 3.60 1.81 1.81
assign ((resid 123 and name HA )) ( (resid 123 and name HD1* )) 3.25 1.45 1.45
assign ((resid 123 and name HA )) ( (resid 124 and name HN )) 2.70 0.91 0.91
assign ((resid 123 and name HB )) ( (resid 124 and name HN )) 2.55 0.75 0.75
assign ((resid 123 and name HG2* )) ( (resid 124 and name HN )) 3.28 1.48 1.48
assign ((resid 123 and name HG1* )) ( (resid 124 and name HN )) 4.09 2.29 2.29
assign ((resid 124 and name HN )) ( (resid 124 and name HB )) 2.84 1.05 1.05
assign ((resid 124 and name HN )) ( (resid 124 and name HG1* )) 2.83 1.03 1.03
assign ((resid 124 and name HN )) ( (resid 124 and name HG2* )) 2.87 1.08 1.08
assign ((resid 124 and name HN )) ( (resid 125 and name HN )) 2.52 0.72 0.72
assign ((resid 124 and name HA )) ( (resid 125 and name HN )) 2.56 0.77 0.77
assign ((resid 124 and name HB )) ( (resid 125 and name HN )) 3.37 1.57 1.57
assign ((resid 124 and name HG2* )) ( (resid 125 and name HN )) 3.11 1.31 1.31
assign ((resid 125 and name HN )) ( (resid 125 and name HB2 )) 2.58 0.78 0.78
assign ((resid 125 and name HN )) ( (resid 125 and name HB1 )) 2.58 0.78 0.78
assign ((resid 125 and name HN )) ( (resid 125 and name HB* )) 2.46 0.67 0.67
assign ((resid 125 and name HN )) ( (resid 126 and name HN )) 2.64 0.85 0.85
assign ((resid 125 and name HB2 )) ( (resid 126 and name HN )) 3.46 1.67 1.67
assign ((resid 125 and name HB1 )) ( (resid 126 and name HN )) 3.46 1.67 1.67
assign ((resid 125 and name HB* )) ( (resid 126 and name HN )) 3.03 1.24 1.24
assign ((resid 126 and name HA )) ( (resid 127 and name HD2 )) 2.67 0.88 0.88
assign ((resid 126 and name HA )) ( (resid 127 and name HD1 )) 2.67 0.88 0.88
assign ((resid 126 and name HB )) ( (resid 127 and name HD* )) 4.09 2.29 2.29
assign ((resid 126 and name HG2* )) ( (resid 127 and name HD2 )) 3.87 2.07 2.07
assign ((resid 126 and name HG2* )) ( (resid 127 and name HD1 )) 3.87 2.07 2.07
assign ((resid 126 and name HG2* )) ( (resid 127 and name HD* )) 3.78 1.98 1.98
list of removed NOE constraints
93-> LEU 15 HN - LEU 15 HD1* 1.80 6.50 # NoRestrctn I [2.29 6.01] -- intra
111-> THR 16 HA - THR 16 HB 1.79 3.05 # NoRestrctn I [2.22 3.02] -- intra
436-> ARG 33 HN - ARG 33 HD* 1.80 6.38 # NoRestrctn I [2.29 6.01] -- intra
440-> ARG 33 HA - ARG 33 HB2 1.79 3.05 # NoRestrctn I [2.22 3.02] -- intra
441-> ARG 33 HA - ARG 33 HB1 1.79 3.05 # NoRestrctn I [2.22 3.02] -- intra
615-> LEU 40 HA - LEU 40 HD2* 1.80 6.28 # NoRestrctn I [2.11 5.99] -- intra
650-> LEU 41 HN - LEU 41 HD1* 1.80 6.40 # NoRestrctn I [2.29 6.01] -- intra
654-> LEU 41 HA - LEU 41 HD1* 1.79 6.53 # NoRestrctn I [2.11 5.99] -- intra
718-> ILE 58 HN - ILE 58 HD1* 1.80 6.22 # NoRestrctn I [2.29 6.01] -- intra
749-> GLU 60 HA - GLU 60 HB2 1.79 3.05 # NoRestrctn I [2.22 3.02] -- intra
766-> LEU 61 HN - LEU 61 HD1* 1.79 6.53 # NoRestrctn I [2.29 6.01] -- intra
767-> LEU 61 HN - LEU 61 HD2* 1.79 6.53 # NoRestrctn I [2.29 6.01] -- intra
807-> LEU 62 HN - LEU 62 HD1* 1.79 6.53 # NoRestrctn I [2.29 6.01] -- intra
808-> LEU 62 HN - LEU 62 HD2* 1.79 6.53 # NoRestrctn I [2.29 6.01] -- intra
811-> LEU 62 HA - LEU 62 HD1* 1.79 6.53 # NoRestrctn I [2.11 5.99] -- intra
812-> LEU 62 HA - LEU 62 HD2* 1.79 6.53 # NoRestrctn I [2.11 5.99] -- intra
844-> ARG 63 HA - ARG 63 HG* 1.80 4.02 # NoRestrctn I [2.23 4.01] -- intra
909-> PHE 68 HN - ASP 69 HA 1.80 5.44 # NoRestrctn S [2.00 3.99] -- sequential
977-> ALA 73 HB* - VAL 74 HA 1.79 6.53 # NoRestrctn S [2.00 6.01] -- sequential
981-> VAL 74 HA - ALA 75 HB* 1.79 6.09 # NoRestrctn S [2.00 6.01] -- sequential
1015-> GLU 78 HA - GLU 78 HB1 1.79 3.05 # NoRestrctn I [2.22 3.02] -- intra
1045-> GLU 81 HN - ALA 82 HB* 1.79 6.09 # NoRestrctn S [2.00 6.01] -- sequential
1094-> ASP 85 HA - ASP 85 HB2 1.79 3.05 # NoRestrctn I [2.22 3.02] -- intra
1332-> LEU 103 HN - LEU 103 HD1* 1.80 6.22 # NoRestrctn I [2.29 6.01] -- intra
1333-> LEU 103 HN - LEU 103 HD2* 1.79 6.09 # NoRestrctn I [2.29 6.01] -- intra
1390-> ILE 110 HN - ILE 110 HG1* 1.80 6.38 # NoRestrctn I [2.29 6.01] -- intra
1428-> LEU 116 HN - LEU 116 HD2* 1.79 6.03 # NoRestrctn I [2.29 6.01] -- intra
1491-> ARG 121 HN - ARG 121 HD* 1.80 6.38 # NoRestrctn I [2.29 6.01] -- intra
====== TOTAL ======: 28
table of distance constraints violations
Residual Violations greater than 0.10
4-> TRP 11 HA - TRP 11 HE3 [ 1.79 4.85] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 - 2 [ 0.34 .. 0.39]
5-> TRP 11 HA - TRP 11 HZ3 [ 1.80 5.50] 1.39 1.38 0.00 1.23 0.00 0.00 0.00 0.00 1.77 1.21 1.28 0.00 0.00 0.00 0.00 1.28 0.00 0.00 1.80 0.00 - 8 [ 1.21 .. 1.80]
6-> TRP 11 HA - LEU 14 HD2* [ 1.80 4.82] 0.14 0.66 0.43 0.00 0.22 0.00 0.38 0.00 1.00 0.00 0.00 1.18 0.49 1.05 0.00 0.23 0.17 0.00 0.00 0.01 - 12 [ 0.01 .. 1.18]
7-> TRP 11 HB2 - GLN 12 HN [ 1.79 3.83] 0.00 0.00 0.00 0.12 0.00 0.03 0.00 0.01 0.00 0.09 0.03 0.00 0.02 0.02 0.08 0.06 0.00 0.00 0.00 0.07 - 10 [ 0.01 .. 0.12]
10-> TRP 11 HD1 - GLN 12 HN [ 1.80 5.50] 0.00 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.12 0.02 0.00 0.00 0.00 0.00 0.09 0.00 0.05 0.00 0.00 - 5 [ 0.02 .. 0.18]
11-> TRP 11 HD1 - GLN 12 HB* [ 1.80 6.38] 0.70 0.69 0.00 0.53 0.00 0.00 0.00 0.00 0.27 0.44 0.81 0.00 0.00 0.00 0.00 0.86 0.00 0.75 0.07 0.00 - 9 [ 0.07 .. 0.86]
12-> TRP 11 HD1 - LEU 15 HD1* [ 1.79 6.53] 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.00 .. 0.28]
13-> TRP 11 HE3 - LEU 14 HD2* [ 1.80 6.00] 2.57 2.80 0.67 1.82 0.00 0.00 0.29 0.00 3.27 2.21 2.22 2.02 0.65 1.36 0.00 2.49 0.07 0.00 2.76 0.00 - 14 [ 0.07 .. 3.27]
14-> TRP 11 HE1 - GLN 12 HN [ 1.80 5.50] 1.20 1.24 1.26 1.68 1.46 0.91 0.43 1.06 1.25 1.48 1.38 0.32 0.21 0.27 0.68 1.55 0.32 2.17 1.63 0.52 - 20 [ 0.21 .. 2.17]
15-> TRP 11 HE1 - LEU 15 HD1* [ 1.79 3.83] 0.17 0.21 4.43 0.84 4.10 0.00 0.00 0.00 0.07 0.46 0.51 0.00 0.00 0.00 0.00 0.00 0.00 3.18 3.69 0.00 - 10 [ 0.07 .. 4.43]
16-> TRP 11 HE1 - LEU 15 HD2* [ 1.80 3.86] 0.05 0.76 5.62 1.06 4.90 0.00 1.30 1.12 0.31 1.58 0.74 1.80 1.20 1.40 0.45 0.69 0.19 2.96 3.80 1.21 - 19 [ 0.05 .. 5.62]
17-> TRP 11 HE1 - PRO 21 HB* [ 1.80 6.38] 0.00 0.00 5.66 0.00 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 0.00 2.79 0.00 - 3 [ 2.79 .. 5.66]
18-> TRP 11 HZ3 - VAL 74 HB [ 1.80 5.50] 5.08 3.29 0.00 2.07 0.00 0.00 0.00 0.00 2.80 3.90 4.23 0.00 0.00 0.00 0.00 3.15 0.00 1.01 3.17 0.00 - 9 [ 1.01 .. 5.08]
19-> TRP 11 HZ3 - VAL 74 HG1* [ 1.79 6.53] 0.65 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 - 5 [ 0.00 .. 2.58]
20-> TRP 11 HZ3 - VAL 74 HG2* [ 1.79 6.03] 1.58 2.95 0.00 1.51 0.00 0.00 0.00 0.00 2.32 0.87 1.09 0.00 0.00 0.00 0.00 2.09 0.00 0.68 2.20 0.00 - 9 [ 0.68 .. 2.95]
21-> TRP 11 HZ2 - LEU 15 HD1* [ 1.79 5.47] 0.00 0.00 3.19 0.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.33 2.78 0.00 - 4 [ 2.78 .. 3.33]
22-> TRP 11 HZ2 - PRO 21 HA [ 1.80 5.50] 0.00 0.00 6.91 0.00 5.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 2.63 4.78 0.00 - 5 [ 0.33 .. 6.91]
23-> TRP 11 HZ2 - PRO 21 HB2 [ 1.80 5.38] 0.00 0.00 8.26 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4.33 5.57 0.00 - 4 [ 4.33 .. 8.26]
24-> TRP 11 HZ2 - PRO 21 HB3 [ 1.80 5.38] 0.00 0.00 7.06 0.00 5.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.37 4.79 0.00 - 4 [ 3.37 .. 7.06]
25-> TRP 11 HZ2 - PRO 21 HG2 [ 1.80 5.50] 1.45 0.00 9.96 0.61 8.65 0.00 0.00 0.00 0.84 0.00 1.35 0.00 0.00 0.00 0.12 1.71 0.00 6.13 7.59 0.00 - 10 [ 0.12 .. 9.96]
26-> TRP 11 HZ2 - PRO 21 HG3 [ 1.80 5.50] 0.66 0.00 8.97 0.00 7.92 0.00 0.00 0.00 0.36 0.00 0.57 0.00 0.00 0.00 0.00 0.83 0.00 5.49 6.81 0.00 - 8 [ 0.36 .. 8.97]
27-> TRP 11 HZ2 - ASP 76 HN [ 1.80 5.50] 0.00 1.10 4.35 0.00 1.85 0.21 1.10 0.00 0.00 0.65 0.00 0.90 1.06 0.98 0.00 0.00 0.19 0.84 0.43 0.08 - 13 [ 0.08 .. 4.35]
28-> TRP 11 HH2 - PRO 21 HA [ 1.80 5.50] 1.94 1.15 5.01 0.00 3.65 0.00 0.00 0.00 0.71 1.23 0.95 0.00 0.00 0.00 0.00 1.90 0.00 4.61 4.75 0.00 - 10 [ 0.71 .. 5.01]
29-> TRP 11 HH2 - PRO 21 HB2 [ 1.80 5.50] 0.81 0.00 6.51 0.00 5.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 6.33 4.80 0.00 - 6 [ 0.63 .. 6.51]
30-> TRP 11 HH2 - PRO 21 HB3 [ 1.80 5.50] 0.24 0.00 5.41 0.00 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.16 4.31 0.00 - 6 [ 0.00 .. 5.41]
31-> TRP 11 HH2 - PRO 21 HG* [ 1.80 6.38] 0.15 0.00 5.59 0.00 4.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.31 4.42 0.00 - 5 [ 0.15 .. 5.59]
32-> TRP 11 HH2 - VAL 74 HG1* [ 1.80 4.82] 1.62 2.93 1.66 0.21 0.00 0.00 0.00 0.21 0.83 3.96 0.66 0.33 0.00 0.00 0.46 1.39 0.10 0.37 1.30 0.30 - 15 [ 0.10 .. 3.96]
33-> TRP 11 HH2 - VAL 74 HG2* [ 1.79 5.91] 1.21 3.00 1.39 0.79 0.00 0.00 0.00 0.00 1.56 0.42 0.56 0.61 0.00 0.23 0.00 1.76 0.00 0.57 2.68 0.00 - 12 [ 0.23 .. 3.00]
34-> TRP 11 HH2 - ALA 75 HA [ 1.80 5.50] 3.19 3.87 2.72 1.81 1.09 0.04 0.00 0.00 2.23 3.08 2.24 0.00 0.00 0.00 0.00 4.17 0.00 3.04 3.23 0.00 - 12 [ 0.04 .. 4.17]
35-> TRP 11 HH2 - ASP 76 HN [ 1.80 5.50] 1.59 2.79 2.58 0.94 1.07 0.00 0.00 0.00 0.70 2.51 1.23 0.00 0.00 0.00 0.00 1.64 0.00 3.35 0.87 0.00 - 11 [ 0.70 .. 3.35]
36-> TRP 11 HH2 - ASP 76 HA [ 1.80 5.50] 0.00 0.74 0.41 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.02 1.06 0.00 0.00 0.00 1.43 0.00 0.00 - 6 [ 0.02 .. 2.26]
38-> GLN 12 HN - GLN 12 HB3 [ 1.79 3.39] 0.18 0.17 0.00 0.00 0.18 0.17 0.18 0.15 0.18 0.00 0.18 0.00 0.18 0.20 0.18 0.20 0.18 0.17 0.00 0.19 - 15 [ 0.15 .. 0.20]
47-> GLN 12 HA - LEU 15 HB3 [ 1.80 4.38] 0.00 0.00 0.00 0.55 0.37 0.00 0.29 0.46 0.00 0.00 0.00 0.30 0.05 0.00 0.00 0.22 0.00 0.00 0.19 0.09 - 9 [ 0.05 .. 0.55]
54-> GLN 12 HG2 - LEU 15 HD2* [ 1.79 6.53] 0.00 0.00 0.00 1.26 0.31 0.00 0.58 0.77 0.00 0.00 0.00 1.11 0.33 0.00 0.00 0.31 0.00 0.00 1.58 0.03 - 9 [ 0.03 .. 1.58]
55-> GLN 12 HG3 - LEU 15 HD2* [ 1.79 6.53] 0.03 0.00 0.00 0.09 0.60 0.00 0.82 0.81 0.00 0.00 0.26 0.87 0.64 0.40 0.40 0.72 0.00 0.00 0.49 0.50 - 13 [ 0.03 .. 0.87]
57-> GLN 12 HG* - THR 16 HB [ 1.80 6.38] 1.98 1.49 0.00 0.00 1.59 1.72 0.76 0.27 1.30 0.00 0.67 0.00 0.85 1.03 0.65 0.46 0.70 0.77 0.00 0.68 - 15 [ 0.27 .. 1.98]
64-> ARG 13 HN - ARG 13 HD2 [ 1.80 5.50] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.34 .. 0.34]
67-> ARG 13 HA - THR 16 HB [ 1.79 3.55] 1.01 1.57 0.93 0.00 0.95 1.00 0.00 0.00 0.31 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 - 8 [ 0.31 .. 1.59]
70-> ARG 13 HG* - LEU 14 HG [ 1.80 5.36] 0.29 0.00 0.00 0.43 0.19 0.18 0.41 0.29 0.00 0.24 0.34 0.06 0.35 0.27 0.43 0.00 0.26 0.31 0.17 0.25 - 16 [ 0.06 .. 0.43]
81-> LEU 14 HB3 - LEU 15 HN [ 1.80 3.80] 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.13 0.04 0.00 0.00 0.00 0.03 0.00 0.00 0.00 - 6 [ 0.00 .. 0.19]
84-> LEU 14 HG - PRO 55 HG* [ 1.80 6.38] 0.00 0.24 0.00 0.00 0.20 3.74 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 - 3 [ 0.20 .. 3.74]
92-> LEU 15 HN - LEU 15 HG [ 1.79 3.83] 0.00 0.60 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.60 .. 0.66]
94-> LEU 15 HN - LEU 15 HD2* [ 1.79 4.05] 0.00 0.19 0.00 0.00 0.00 0.20 0.00 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.19 .. 0.20]
103-> LEU 15 HD2* - GLN 20 HE2* [ 1.80 7.40] 0.00 0.00 0.00 0.00 0.00 2.62 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 - 1 [ 2.62 .. 2.62]
104-> LEU 15 HD2* - PRO 21 HG2 [ 1.80 5.54] 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 2.19 .. 2.19]
105-> LEU 15 HD2* - PRO 21 HG3 [ 1.80 5.54] 0.00 0.00 0.00 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 0.00 0.00 0.00 0.00 - 1 [ 0.71 .. 0.71]
106-> LEU 15 HD2* - PRO 21 HG* [ 1.80 5.24] 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.76 .. 0.76]
107-> LEU 15 HD2* - PRO 21 HD2 [ 1.80 6.40] 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.10 .. 1.10]
113-> ARG 17 HD* - MET 57 HN [ 1.80 6.38] 0.00 0.00 0.00 1.96 2.36 0.00 1.36 0.00 1.66 0.00 3.01 5.48 2.81 1.09 0.85 0.59 0.00 0.00 0.73 0.00 - 11 [ 0.59 .. 5.48]
115-> TRP 19 HN - TRP 19 HE3 [ 1.80 5.50] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.01 0.52 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.01 .. 0.54]
116-> TRP 19 HN - TRP 19 HE1 [ 1.79 5.03] 0.00 0.24 0.00 0.00 0.00 0.00 0.17 0.43 0.44 0.00 0.00 0.00 0.00 0.31 0.03 0.00 0.00 0.00 0.00 0.07 - 7 [ 0.03 .. 0.44]
121-> TRP 19 HA - ALA 73 HA [ 1.79 3.89] 0.00 0.89 1.22 1.71 1.41 0.00 1.68 1.08 0.63 0.77 0.00 0.92 1.43 1.53 1.06 0.50 1.62 1.09 0.92 0.91 - 17 [ 0.50 .. 1.71]
128-> TRP 19 HD1 - VAL 72 HB [ 1.80 3.70] 0.27 0.00 0.84 0.00 0.32 2.02 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.27 .. 2.02]
132-> TRP 19 HE1 - ILE 58 HG2* [ 1.79 4.67] 1.48 1.45 2.12 0.00 3.42 0.97 3.18 0.00 0.00 0.63 0.91 0.00 0.00 2.06 0.00 1.71 0.00 0.29 0.03 0.31 - 13 [ 0.03 .. 3.42]
134-> TRP 19 HE1 - VAL 72 HN [ 1.80 5.50] 0.34 0.46 0.88 0.21 1.06 1.56 0.00 0.24 0.00 0.00 1.72 0.00 0.00 0.49 0.45 0.46 0.44 0.00 0.00 0.00 - 12 [ 0.21 .. 1.72]
138-> TRP 19 HZ3 - PRO 55 HB2 [ 1.80 5.50] 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.47 .. 1.94]
139-> TRP 19 HZ3 - PRO 55 HB3 [ 1.80 5.50] 0.10 0.00 0.00 0.16 0.00 3.31 0.10 1.47 1.18 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 8 [ 0.00 .. 3.31]
141-> TRP 19 HZ2 - ILE 58 HB [ 1.80 5.50] 0.00 0.00 0.00 0.00 0.91 0.00 0.12 0.00 0.00 0.00 0.00 0.35 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.12 .. 0.91]
147-> TRP 19 HH2 - LEU 40 HG [ 1.80 5.50] 1.21 1.82 1.74 1.69 1.59 1.34 2.11 1.20 0.89 2.24 0.39 0.27 1.04 1.12 1.22 0.25 1.92 1.02 0.76 0.82 - 20 [ 0.25 .. 2.24]
150-> TRP 19 HH2 - PRO 55 HB2 [ 1.80 5.50] 0.00 0.00 0.18 0.00 0.00 0.98 0.82 1.10 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.18 .. 1.10]
151-> TRP 19 HH2 - PRO 55 HG* [ 1.80 6.38] 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.08 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.08 .. 1.37]
152-> TRP 19 HH2 - VAL 56 HA [ 1.80 5.50] 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 0.00 - 1 [ 1.68 .. 1.68]
156-> GLN 20 HN - GLN 20 HB3 [ 1.80 3.36] 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.28 0.29 0.00 0.00 0.30 0.00 0.36 0.33 0.28 - 7 [ 0.28 .. 0.36]
161-> GLN 20 HN - ALA 73 HA [ 1.80 3.24] 0.00 0.00 0.00 0.19 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 0.00 - 3 [ 0.16 .. 0.19]
197-> VAL 22 HB - VAL 27 HB [ 1.80 5.50] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.16 .. 0.16]
213-> VAL 22 HG2* - VAL 27 HB [ 1.79 4.67] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.16 .. 1.16]
229-> GLU 23 HN - VAL 27 HB [ 1.79 3.61] 0.56 0.00 0.00 0.77 0.00 0.44 0.48 0.44 0.50 0.75 0.62 2.44 0.47 0.00 0.00 0.68 0.83 0.18 2.41 0.55 - 15 [ 0.18 .. 2.44]
236-> GLU 23 HB2 - ALA 24 HN [ 1.79 3.45] 0.10 0.07 0.08 0.14 0.12 0.15 0.07 0.30 0.07 0.15 0.09 0.00 0.19 0.06 0.00 0.01 0.21 0.00 0.16 0.18 - 17 [ 0.01 .. 0.30]
237-> GLU 23 HB2 - THR 26 HN [ 1.79 3.83] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.54 .. 0.54]
239-> GLU 23 HB3 - ALA 24 HN [ 1.79 3.45] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.20 .. 0.20]
240-> GLU 23 HB3 - THR 26 HN [ 1.79 3.83] 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 0.00 0.00 0.00 0.19 0.00 - 2 [ 0.19 .. 1.05]
242-> GLU 23 HB* - THR 26 HN [ 1.80 3.56] 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]
250-> GLU 23 HG3 - GLN 79 HG3 [ 1.79 7.25] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 - 1 [ 0.24 .. 0.24]
260-> ALA 24 HA - VAL 27 HB [ 1.80 4.26] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.12 0.64 0.00 - 3 [ 0.09 .. 0.64]
265-> ALA 24 HB* - GLN 79 HA [ 1.80 4.30] 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.32 .. 0.32]
280-> VAL 27 HN - VAL 27 HB [ 1.79 2.87] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 - 1 [ 0.73 .. 0.73]
281-> VAL 27 HN - VAL 27 HG1* [ 1.79 3.43] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.33 .. 0.33]
285-> VAL 27 HA - TRP 30 HN [ 1.80 3.70] 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.02 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 - 4 [ 0.02 .. 0.23]
288-> VAL 27 HA - ILE 39 HG1* [ 1.79 4.99] 0.22 0.47 0.53 0.22 0.56 0.47 0.22 0.32 0.55 0.31 0.19 0.12 0.62 0.48 0.66 0.15 0.71 0.72 0.00 0.42 - 19 [ 0.12 .. 0.72]
304-> VAL 27 HG2* - ILE 31 HN [ 1.79 5.57] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.24 .. 0.24]
307-> VAL 27 HG2* - ILE 39 HB [ 1.80 5.44] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 - 1 [ 0.50 .. 0.50]
317-> ASP 28 HA - ILE 31 HB [ 1.79 3.49] 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 0.00 - 1 [ 0.92 .. 0.92]
318-> ASP 28 HA - ILE 31 HD1* [ 1.79 4.57] 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.49 .. 1.49]
323-> ASP 29 HN - ASP 29 HB3 [ 1.80 3.24] 0.33 0.32 0.33 0.00 0.32 0.32 0.31 0.31 0.32 0.32 0.00 0.33 0.32 0.31 0.32 0.32 0.32 0.32 0.32 0.32 - 18 [ 0.31 .. 0.33]
329-> ASP 29 HA - LYS 32 HG2 [ 1.80 5.50] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.10 0.13 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.10 .. 0.24]
340-> TRP 30 HN - ILE 31 HB [ 1.80 5.16] 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.14 .. 0.14]
344-> TRP 30 HA - ARG 33 HB3 [ 1.79 3.55] 0.00 0.66 1.28 1.14 0.00 0.00 1.39 0.00 0.53 0.00 0.60 1.52 1.31 1.15 0.00 0.46 0.00 0.00 0.82 0.84 - 12 [ 0.46 .. 1.52]
358-> TRP 30 HE1 - VAL 34 HG1* [ 1.80 3.64] 0.00 0.00 0.52 1.14 0.00 0.00 0.77 1.10 0.00 0.85 0.00 0.75 0.50 0.61 0.16 0.00 0.52 0.73 1.27 0.78 - 13 [ 0.16 .. 1.27]
381-> ILE 31 HN - ILE 31 HG1* [ 1.80 3.96] 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 0.00 0.00 0.00 0.00 - 1 [ 0.12 .. 0.12]
386-> ILE 31 HA - VAL 34 HG2* [ 1.79 4.23] 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.56 0.00 0.30 0.21 0.04 0.04 - 8 [ 0.00 .. 0.56]
388-> ILE 31 HB - LYS 32 HN [ 1.79 3.45] 0.00 0.00 0.00 0.00 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 - 1 [ 0.62 .. 0.62]
389-> ILE 31 HB - PHE 98 HE* [ 1.80 5.50] 0.22 0.51 0.00 0.33 0.14 0.16 0.00 0.11 0.27 0.21 0.55 0.35 0.00 0.09 0.17 0.15 0.00 0.53 0.24 0.00 - 15 [ 0.09 .. 0.55]
397-> ILE 31 HG2* - GLY 101 HN [ 1.80 4.54] 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.21 .. 0.60]
401-> ILE 31 HG2* - LYS 102 HN [ 1.79 5.35] 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.16 .. 0.16]
429-> LYS 32 HG3 - LYS 32 HD3 [ 1.79 2.93] 0.11 0.11 0.11 0.11 0.11 0.11 0.11 0.11 0.11 0.11 0.10 0.11 0.11 0.11 0.11 0.11 0.11 0.10 0.11 0.11 - 20 [ 0.10 .. 0.11]
430-> LYS 32 HG3 - ARG 33 HN [ 1.79 4.79] 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 0.00 - 1 [ 0.24 .. 0.24]
431-> LYS 32 HD* - ARG 33 HN [ 1.80 4.24] 0.70 0.72 0.80 0.80 0.78 0.79 0.71 0.75 0.73 0.72 0.00 1.01 0.08 0.68 0.78 0.67 0.75 0.75 0.71 0.66 - 19 [ 0.08 .. 1.01]
432-> LYS 32 HE* - ARG 33 HN [ 1.80 6.38] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.00 .. 0.11]
433-> ARG 33 HN - ARG 33 HB2 [ 1.79 2.59] 0.01 0.00 0.00 0.00 0.04 0.06 0.00 0.09 0.00 0.09 0.00 0.00 0.00 0.00 0.11 0.00 0.12 0.12 0.00 0.00 - 8 [ 0.01 .. 0.12]
434-> ARG 33 HN - ARG 33 HB3 [ 1.79 2.99] 0.00 0.60 0.68 0.68 0.00 0.00 0.69 0.00 0.58 0.00 0.62 0.72 0.63 0.66 0.00 0.59 0.00 0.00 0.62 0.62 - 12 [ 0.58 .. 0.72]
439-> ARG 33 HN - GLY 35 HN [ 1.79 3.95] 0.00 0.00 0.02 0.45 0.00 0.00 0.24 0.24 0.00 0.12 0.00 0.00 0.59 0.00 0.04 0.00 0.13 0.00 0.33 0.67 - 10 [ 0.02 .. 0.67]
446-> ARG 33 HB2 - VAL 34 HN [ 1.79 3.55] 0.42 0.00 0.00 0.00 0.40 0.38 0.00 0.31 0.00 0.29 0.00 0.00 0.00 0.00 0.25 0.00 0.24 0.13 0.00 0.00 - 8 [ 0.13 .. 0.42]
447-> ARG 33 HB3 - VAL 34 HN [ 1.80 3.70] 0.00 0.06 0.15 0.24 0.00 0.00 0.36 0.00 0.18 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.09 - 7 [ 0.06 .. 0.36]
451-> ARG 33 HD2 - VAL 34 HN [ 1.80 5.50] 0.27 0.12 0.42 0.00 0.28 0.26 0.49 0.13 0.12 0.07 0.00 0.24 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.10 - 12 [ 0.07 .. 0.49]
452-> ARG 33 HD3 - VAL 34 HN [ 1.80 5.50] 0.00 0.44 0.00 0.57 0.00 0.00 0.00 0.00 0.61 0.00 0.48 0.00 0.27 0.00 0.00 0.31 0.00 0.00 0.45 0.46 - 8 [ 0.27 .. 0.61]
453-> VAL 34 HN - VAL 34 HG1* [ 1.79 3.43] 0.00 0.00 0.35 0.39 0.00 0.00 0.37 0.34 0.00 0.34 0.00 0.34 0.35 0.35 0.34 0.00 0.34 0.33 0.38 0.38 - 13 [ 0.33 .. 0.39]
457-> VAL 34 HA - GLN 71 HE21 [ 1.80 5.50] 1.72 1.16 1.54 0.82 0.81 0.34 1.74 1.59 0.00 1.27 0.16 0.59 1.56 1.28 1.36 1.44 1.93 1.81 1.96 2.27 - 19 [ 0.16 .. 2.27]
458-> VAL 34 HA - GLN 71 HE22 [ 1.80 5.50] 2.91 2.41 2.89 2.10 2.01 1.71 3.08 2.69 1.06 2.42 1.21 1.88 2.83 2.49 2.57 2.54 3.18 2.95 3.24 2.96 - 20 [ 1.06 .. 3.24]
461-> VAL 34 HB - ASP 36 HB* [ 1.80 5.20] 0.00 0.00 0.85 0.56 0.00 0.00 0.86 0.57 0.05 0.68 0.01 0.80 0.65 0.75 0.72 0.00 0.50 0.86 0.30 0.59 - 15 [ 0.01 .. 0.86]
462-> VAL 34 HB - GLN 71 HG2 [ 1.80 5.50] 0.00 0.00 0.10 0.00 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.20 0.30 0.05 0.58 - 7 [ 0.05 .. 0.58]
465-> VAL 34 HB - GLN 71 HE21 [ 1.80 5.50] 0.05 0.00 2.20 1.67 0.00 0.00 2.45 1.90 0.00 1.96 0.00 1.83 2.27 1.86 1.90 0.00 2.17 2.31 1.91 2.63 - 14 [ 0.05 .. 2.63]
466-> VAL 34 HB - GLN 71 HE22 [ 1.80 5.50] 1.29 1.05 3.42 2.95 0.75 0.63 3.67 3.12 0.19 3.11 0.24 3.05 3.52 3.04 3.05 1.15 3.37 3.44 3.19 3.34 - 20 [ 0.19 .. 3.67]
473-> VAL 34 HG1* - GLN 71 HE21 [ 1.79 5.35] 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.00 - 3 [ 0.00 .. 0.35]
474-> VAL 34 HG1* - GLN 71 HE22 [ 1.79 5.35] 1.00 0.76 0.24 0.00 0.37 0.16 0.51 0.00 0.25 0.00 0.03 0.04 0.26 0.00 0.00 0.92 0.21 0.28 0.17 0.34 - 15 [ 0.03 .. 1.00]
475-> VAL 34 HG1* - GLN 71 HE2* [ 1.79 5.11] 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.00 - 2 [ 0.14 .. 0.20]
476-> VAL 34 HG2* - GLY 35 HN [ 1.80 3.52] 0.00 0.00 0.31 0.16 0.00 0.00 0.29 0.30 0.00 0.30 0.00 0.36 0.20 0.40 0.33 0.00 0.30 0.38 0.22 0.14 - 13 [ 0.14 .. 0.40]
478-> VAL 34 HG2* - ASP 36 HN [ 1.79 4.05] 0.00 0.00 0.95 0.53 0.00 0.00 0.86 0.53 0.00 0.77 0.00 0.87 0.55 0.89 0.89 0.00 0.66 0.88 0.58 0.58 - 13 [ 0.53 .. 0.95]
486-> GLY 35 HN - ASP 36 HN [ 1.80 3.30] 0.17 0.33 0.14 0.00 0.34 0.39 0.07 0.00 0.35 0.02 0.36 0.14 0.00 0.16 0.19 0.33 0.00 0.16 0.00 0.00 - 14 [ 0.02 .. 0.39]
487-> GLY 35 HN - GLY 101 HN [ 1.80 4.76] 0.42 0.44 0.03 0.72 0.34 0.18 0.17 0.44 0.06 0.17 1.07 0.22 0.50 0.00 0.00 0.13 0.31 0.32 0.41 0.22 - 18 [ 0.03 .. 1.07]
489-> GLY 35 HA2 - GLY 101 HN [ 1.79 4.01] 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 0.00 - 1 [ 0.22 .. 0.22]
491-> GLY 35 HA3 - GLY 101 HN [ 1.79 4.01] 0.31 0.57 0.03 0.13 0.39 0.31 0.12 0.50 0.39 0.16 1.32 0.29 0.00 0.10 0.00 0.28 0.00 0.32 0.18 0.00 - 16 [ 0.03 .. 1.32]
492-> GLY 35 HA* - GLY 101 HN [ 1.80 3.54] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.53 .. 0.53]
495-> ASP 36 HN - ASP 36 HB3 [ 1.80 3.58] 0.14 0.13 0.12 0.14 0.13 0.11 0.13 0.23 0.16 0.15 0.17 0.00 0.16 0.14 0.08 0.13 0.16 0.15 0.13 0.15 - 19 [ 0.08 .. 0.23]
502-> ASP 36 HB2 - TRP 70 HB2 [ 1.79 6.69] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.56 0.00 1.21 - 3 [ 0.56 .. 1.38]
503-> ASP 36 HB2 - TRP 70 HB3 [ 1.79 6.69] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.47 - 3 [ 0.29 .. 0.90]
505-> ASP 36 HB3 - TRP 70 HB2 [ 1.79 6.69] 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 0.49 0.00 1.00 - 3 [ 0.19 .. 1.00]
512-> GLY 37 HN - TRP 70 HE3 [ 1.79 4.41] 2.89 2.62 0.00 0.00 0.00 0.00 2.70 2.79 1.47 0.00 0.00 3.79 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 7 [ 1.47 .. 3.79]
516-> GLY 37 HN - THR 99 HG2* [ 1.79 5.13] 0.00 0.51 0.30 0.00 0.19 0.32 0.39 0.00 0.28 0.00 0.00 0.00 0.13 0.23 0.15 0.00 0.00 0.00 0.13 0.27 - 11 [ 0.13 .. 0.51]
520-> GLY 37 HA2 - TRP 70 HE3 [ 1.80 5.50] 0.66 1.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.39 .. 1.00]
525-> GLY 37 HA3 - TRP 70 HE3 [ 1.80 5.50] 2.28 2.69 0.00 0.00 0.00 0.00 1.57 2.44 0.17 0.00 0.00 2.02 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 7 [ 0.17 .. 2.69]
532-> GLY 37 HA* - TRP 70 HE3 [ 1.80 5.10] 0.84 1.16 0.00 0.00 0.00 0.00 0.11 0.90 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.11 .. 1.16]
539-> VAL 38 HN - PHE 98 HB2 [ 1.80 5.50] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.09 0.00 0.01 0.12 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.01 .. 0.12]
544-> VAL 38 HB - ILE 39 HN [ 1.80 3.64] 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.49 .. 0.52]
545-> VAL 38 HB - THR 95 HG2* [ 1.80 4.48] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.08 .. 1.08]
558-> VAL 38 HG2* - TRP 70 HE3 [ 1.80 6.28] 1.14 0.46 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.26 .. 1.14]
579-> ILE 39 HN - THR 95 HG2* [ 1.79 4.57] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.79 .. 0.79]
594-> ILE 39 HG2* - LEU 96 HG [ 1.79 4.85] 0.00 0.00 0.00 0.00 0.00 1.40 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 - 1 [ 1.40 .. 1.40]
611-> LEU 40 HN - VAL 74 HA [ 1.80 3.36] 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.00 0.00 0.15 0.18 0.01 0.00 - 5 [ 0.01 .. 0.21]
612-> LEU 40 HN - VAL 74 HG1* [ 1.79 5.19] 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.06 .. 0.12]
617-> LEU 40 HA - THR 95 HA [ 1.79 3.49] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.13 .. 0.13]
619-> LEU 40 HB2 - VAL 74 HG1* [ 1.80 5.38] 0.48 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 - 4 [ 0.06 .. 0.66]
625-> LEU 40 HG - VAL 72 HG1* [ 1.79 6.53] 0.00 0.00 0.00 0.00 0.00 2.03 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 - 1 [ 2.03 .. 2.03]
628-> LEU 40 HD1* - PRO 55 HA [ 1.79 5.29] 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.58 .. 0.70]
629-> LEU 40 HD1* - PRO 55 HB2 [ 1.79 5.47] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.87 0.00 0.91 0.00 0.00 - 3 [ 0.87 .. 2.01]
631-> LEU 40 HD1* - PRO 55 HG2 [ 1.79 5.81] 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 - 3 [ 0.29 .. 2.97]
632-> LEU 40 HD1* - PRO 55 HG3 [ 1.79 5.81] 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.31 .. 2.28]
633-> LEU 40 HD1* - ILE 58 HB [ 1.79 4.57] 0.46 0.15 0.00 0.42 0.00 0.51 0.00 0.00 0.00 0.75 1.08 0.00 0.05 0.15 0.00 0.15 0.60 0.55 0.00 0.00 - 11 [ 0.05 .. 1.08]
641-> LEU 40 HD2* - ILE 58 HG1* [ 1.79 5.27] 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.86 .. 0.86]
644-> LEU 40 HD2* - ALA 94 HA [ 1.79 6.53] 1.22 0.01 0.89 0.89 0.69 0.54 0.55 0.00 0.00 0.42 0.00 0.00 2.00 0.00 0.00 0.00 1.01 0.00 0.61 0.00 - 11 [ 0.01 .. 2.00]
645-> LEU 40 HD2* - THR 95 HN [ 1.79 5.85] 1.20 0.62 1.28 1.33 1.34 0.83 0.71 0.00 0.00 1.06 0.39 0.00 1.92 0.00 0.00 0.00 1.59 0.83 1.10 0.00 - 13 [ 0.39 .. 1.92]
647-> LEU 40 HD2* - THR 95 HB [ 1.79 5.19] 1.09 0.93 1.17 1.31 1.20 1.10 1.11 0.00 0.00 1.10 0.86 0.00 1.79 0.00 0.00 0.00 1.65 1.95 1.17 0.00 - 13 [ 0.86 .. 1.95]
652-> LEU 41 HN - ALA 94 HN [ 1.79 3.61] 0.82 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.14 0.00 1.03 0.89 1.07 1.89 0.00 0.11 0.00 0.02 0.00 - 9 [ 0.02 .. 1.89]
656-> LEU 41 HA - SER 42 HN [ 1.80 2.90] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.00 - 1 [ 0.29 .. 0.29]
657-> LEU 41 HB2 - SER 42 HN [ 1.79 3.67] 0.00 0.00 0.16 0.13 0.00 0.00 0.11 0.19 0.47 0.00 0.19 0.02 0.00 0.10 0.28 0.00 0.00 0.20 0.09 0.00 - 11 [ 0.02 .. 0.47]
658-> LEU 41 HB2 - SER 42 HB* [ 1.79 5.91] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.18 .. 0.18]
662-> LEU 41 HB3 - ALA 94 HN [ 1.80 4.54] 0.26 0.00 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.18 .. 0.49]
676-> LEU 41 HD2* - GLY 84 HA3 [ 1.79 4.39] 0.31 0.06 0.00 0.22 0.15 0.00 0.00 0.00 0.00 0.00 0.16 0.13 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 - 7 [ 0.06 .. 0.40]
684-> SER 42 HA - ALA 75 HB* [ 1.80 6.00] 0.00 0.00 0.00 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 0.00 0.00 - 1 [ 0.12 .. 0.12]
685-> SER 42 HB2 - SER 80 HA [ 1.80 5.50] 0.00 0.00 0.30 0.53 0.01 0.16 0.00 1.43 1.52 1.55 0.03 1.74 0.21 0.44 0.17 1.46 0.00 0.00 0.00 0.00 - 13 [ 0.01 .. 1.74]
686-> SER 42 HB3 - SER 80 HA [ 1.80 5.50] 0.00 1.45 0.14 0.00 1.38 1.53 0.00 0.16 0.54 0.00 0.00 0.10 0.78 1.72 1.90 1.86 0.80 0.03 0.75 0.00 - 14 [ 0.03 .. 1.90]
690-> PRO 55 HA - ILE 58 HN [ 1.80 4.88] 0.98 0.00 1.50 0.00 0.00 1.34 0.00 1.16 1.26 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 - 7 [ 0.81 .. 1.62]
691-> PRO 55 HA - ILE 58 HB [ 1.79 4.45] 1.48 1.57 1.46 1.14 0.00 3.76 1.68 0.87 2.07 2.86 0.00 0.00 1.62 0.00 0.00 0.00 0.32 0.27 0.00 0.37 - 13 [ 0.27 .. 3.76]
692-> PRO 55 HA - ILE 58 HG2* [ 1.79 6.53] 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.03 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.03 .. 1.61]
693-> PRO 55 HB3 - ILE 58 HG2* [ 1.79 6.53] 0.95 0.00 0.51 0.00 0.00 1.59 0.00 0.02 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 - 6 [ 0.02 .. 1.59]
699-> PRO 55 HG* - ILE 58 HG2* [ 1.79 7.41] 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.32 .. 0.32]
702-> VAL 56 HN - ILE 58 HB [ 1.79 5.25] 1.22 0.50 1.23 0.23 0.00 2.02 2.39 0.00 0.54 1.94 0.00 0.00 0.50 0.00 0.22 0.00 0.47 0.00 0.00 0.47 - 12 [ 0.22 .. 2.39]
703-> VAL 56 HA - ALA 59 HB* [ 1.79 5.19] 0.89 0.04 0.75 0.00 0.00 1.13 0.00 0.99 0.78 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 - 8 [ 0.04 .. 1.60]
704-> VAL 56 HB - MET 57 HN [ 1.79 3.49] 0.00 0.73 0.00 0.73 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.63 0.57 0.92 0.00 0.54 0.00 - 8 [ 0.54 .. 0.92]
713-> MET 57 HB* - ILE 58 HB [ 1.79 5.67] 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.04 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.04 .. 0.21]
721-> ILE 58 HA - LEU 61 HB2 [ 1.80 3.80] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.18 .. 0.18]
722-> ILE 58 HA - LEU 61 HB3 [ 1.80 4.20] 0.00 0.30 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.30 .. 0.52]
726-> ILE 58 HB - ALA 59 HN [ 1.79 4.07] 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 0.00 0.00 0.00 0.00 - 1 [ 0.12 .. 0.12]
733-> ILE 58 HD1* - LEU 61 HB2 [ 1.80 6.34] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.05 .. 0.67]
734-> ILE 58 HD1* - LEU 61 HB3 [ 1.79 6.53] 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.02 .. 0.69]
735-> ILE 58 HD1* - ALA 94 HA [ 1.79 6.53] 0.18 0.00 0.00 0.16 0.00 0.20 0.57 0.67 0.45 0.43 0.20 0.78 0.40 0.00 1.22 0.00 0.17 0.00 0.00 0.00 - 12 [ 0.16 .. 1.22]
738-> ALA 59 HN - LEU 61 HN [ 1.79 4.29] 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 0.00 - 1 [ 0.12 .. 0.12]
739-> ALA 59 HA - LEU 62 HD1* [ 1.79 6.53] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.71 .. 0.71]
744-> GLU 60 HN - GLU 60 HB3 [ 1.80 2.90] 0.71 0.70 0.69 0.69 0.69 0.70 0.70 0.68 0.75 0.70 0.67 0.75 0.70 0.67 0.69 0.69 0.70 0.69 0.68 0.66 - 20 [ 0.66 .. 0.75]
755-> GLU 60 HB2 - GLU 60 HG2 [ 1.79 2.77] 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.31 .. 0.31]
756-> GLU 60 HB2 - GLU 60 HG3 [ 1.79 2.77] 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.20 .. 0.20]
758-> GLU 60 HB2 - TRP 113 HZ2 [ 1.80 5.50] 0.99 0.00 2.95 2.63 0.00 0.15 0.00 0.00 5.79 3.17 0.14 0.84 4.08 0.00 6.01 2.35 0.00 0.00 0.00 0.11 - 12 [ 0.11 .. 6.01]
760-> GLU 60 HG2 - LEU 61 HA [ 1.80 5.50] 1.23 1.21 1.35 1.13 1.20 1.16 1.12 1.21 1.06 1.13 1.24 1.06 1.15 1.21 1.14 1.16 1.16 1.16 1.16 1.22 - 20 [ 1.06 .. 1.35]
761-> GLU 60 HG3 - LEU 61 HA [ 1.80 5.50] 0.99 1.15 0.99 1.02 1.10 1.06 1.02 1.11 1.19 1.04 1.21 1.18 1.08 1.08 1.02 1.05 1.07 1.06 1.00 1.08 - 20 [ 0.99 .. 1.21]
771-> LEU 61 HN - TRP 113 HH2 [ 1.80 5.50] 0.76 1.91 5.11 1.20 0.00 3.05 0.00 0.00 7.14 1.66 0.54 0.00 6.18 0.00 6.82 1.16 1.28 0.86 1.08 3.14 - 15 [ 0.54 .. 7.14]
775-> LEU 61 HA - GLU 64 HB* [ 1.80 4.40] 0.00 0.00 0.59 0.36 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.00 0.00 0.00 - 4 [ 0.16 .. 0.59]
777-> LEU 61 HA - TRP 113 HZ2 [ 1.80 5.50] 2.23 0.00 5.02 3.83 0.00 0.00 0.47 0.00 8.84 3.98 1.88 0.00 4.23 0.00 7.03 0.93 2.65 2.03 0.00 0.00 - 12 [ 0.47 .. 8.84]
778-> LEU 61 HA - TRP 113 HH2 [ 1.80 4.26] 2.90 2.66 5.47 3.45 0.00 2.64 0.00 0.66 8.73 4.22 1.45 0.00 5.47 0.00 8.04 0.39 4.40 1.70 0.86 2.65 - 16 [ 0.39 .. 8.73]
779-> LEU 61 HB2 - LEU 62 HN [ 1.79 3.33] 0.00 0.00 0.00 0.22 0.52 0.00 0.47 0.00 0.47 0.49 0.00 0.34 0.00 0.52 0.42 0.55 0.50 0.00 0.51 0.30 - 12 [ 0.22 .. 0.55]
780-> LEU 61 HB2 - TRP 113 HH2 [ 1.80 5.50] 1.42 3.68 6.29 0.00 0.00 4.13 0.00 0.69 7.70 0.73 2.28 0.00 6.82 0.00 6.50 0.98 2.76 2.58 0.10 2.67 - 15 [ 0.10 .. 7.70]
781-> LEU 61 HB3 - LEU 62 HN [ 1.79 2.83] 0.81 0.77 1.23 0.00 0.00 0.78 0.00 0.56 0.00 0.00 0.76 0.00 0.71 0.00 0.00 0.00 0.00 0.74 0.00 0.00 - 8 [ 0.56 .. 1.23]
782-> LEU 61 HB3 - TRP 113 HH2 [ 1.80 5.50] 2.05 3.95 5.87 0.86 0.83 3.71 0.00 1.36 9.10 0.37 2.68 0.00 6.11 0.81 8.11 2.17 3.42 2.91 1.82 4.20 - 18 [ 0.37 .. 9.10]
786-> LEU 61 HD1* - GLU 64 HG2 [ 1.79 6.53] 0.00 0.05 0.90 1.97 0.00 0.75 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 - 6 [ 0.05 .. 1.97]
787-> LEU 61 HD1* - GLU 64 HG3 [ 1.79 6.53] 0.00 0.02 1.35 0.64 0.00 1.67 0.00 0.08 0.00 0.00 2.02 0.00 0.16 0.00 0.00 0.00 0.00 0.55 0.00 0.00 - 8 [ 0.02 .. 2.02]
788-> LEU 61 HD1* - TRP 113 HH2 [ 1.79 6.53] 0.00 1.94 2.69 0.00 0.00 1.91 0.00 0.00 5.38 0.01 0.74 0.00 3.49 0.00 4.14 0.00 2.27 0.91 0.00 0.00 - 10 [ 0.01 .. 5.38]
791-> LEU 61 HD2* - GLU 64 HG2 [ 1.79 6.53] 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.26 0.00 0.58 0.00 0.00 0.33 - 5 [ 0.14 .. 2.11]
792-> LEU 61 HD2* - GLU 64 HG3 [ 1.79 6.53] 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.26 0.00 0.00 0.88 0.00 0.00 0.23 0.15 0.58 0.00 0.00 0.53 - 7 [ 0.11 .. 0.88]
793-> LEU 61 HD2* - TRP 113 HH2 [ 1.79 6.53] 0.00 0.00 0.57 0.17 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 1.07 0.00 5.14 0.77 2.62 0.00 0.00 2.11 - 8 [ 0.17 .. 6.77]
797-> LEU 61 HD* - TRP 113 HD1 [ 1.79 7.29] 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 1.17 .. 2.90]
799-> LEU 61 HD* - TRP 113 HZ3 [ 1.80 5.46] 0.00 0.88 0.00 0.00 0.00 0.55 0.00 0.00 3.86 0.00 0.00 0.00 0.77 0.00 2.99 0.00 2.62 0.00 0.18 1.47 - 8 [ 0.18 .. 3.86]
800-> LEU 61 HD* - TRP 113 HZ2 [ 1.80 6.70] 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 5.14 0.00 0.00 0.00 0.39 0.00 3.21 0.00 0.33 0.00 0.00 0.00 - 5 [ 0.33 .. 5.14]
801-> LEU 61 HD* - TRP 113 HH2 [ 1.79 6.13] 0.00 0.16 0.75 0.00 0.00 0.00 0.00 0.00 4.98 0.00 0.00 0.00 1.25 0.00 3.75 0.00 1.86 0.00 0.00 0.03 - 7 [ 0.03 .. 4.98]
813-> LEU 62 HB2 - ARG 63 HN [ 1.79 3.83] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.14 .. 0.14]
817-> LEU 62 HB3 - ARG 63 HN [ 1.79 3.83] 0.00 0.10 0.35 0.52 0.02 0.11 0.00 0.14 0.00 0.44 0.23 0.00 0.00 0.04 0.09 0.42 0.19 0.17 0.06 0.10 - 15 [ 0.02 .. 0.52]
823-> LEU 62 HB* - TRP 70 HD1 [ 1.80 6.38] 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.72 0.00 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.20 .. 0.72]
839-> ARG 63 HN - ARG 63 HG2 [ 1.79 3.95] 0.00 0.02 0.00 0.00 0.00 0.07 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.06 0.00 0.57 - 6 [ 0.01 .. 0.57]
840-> ARG 63 HN - ARG 63 HG3 [ 1.79 3.95] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 - 1 [ 0.53 .. 0.53]
848-> GLU 64 HN - GLU 64 HB3 [ 1.80 3.42] 0.20 0.16 0.26 0.21 0.21 0.00 0.17 0.21 0.00 0.24 0.00 0.19 0.25 0.23 0.18 0.28 0.16 0.17 0.16 0.19 - 17 [ 0.16 .. 0.28]
857-> GLU 64 HB* - TRP 113 HH2 [ 1.80 6.38] 3.97 0.00 5.15 5.24 0.00 0.00 0.07 0.94 5.39 5.23 0.00 0.00 1.95 0.00 6.02 0.00 3.46 0.00 0.00 0.09 - 11 [ 0.07 .. 6.02]
858-> GLU 64 HG* - TRP 113 HZ2 [ 1.80 5.82] 3.45 0.00 5.27 6.94 0.00 0.00 1.39 0.83 8.17 6.10 1.40 2.05 1.94 0.00 4.81 0.00 2.63 0.27 0.00 0.00 - 13 [ 0.27 .. 8.17]
859-> GLU 64 HG* - TRP 113 HH2 [ 1.80 6.38] 2.13 0.00 3.19 5.05 0.00 0.00 0.00 0.00 6.10 4.55 0.00 0.00 0.62 0.00 4.35 0.00 1.67 0.00 0.00 0.00 - 8 [ 0.62 .. 6.10]
868-> PHE 65 HB2 - GLN 67 HN [ 1.79 4.79] 0.00 0.00 0.33 0.54 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.05 .. 0.54]
869-> PHE 65 HB2 - PHE 68 HD* [ 1.80 5.50] 0.57 1.17 0.27 0.00 0.00 1.52 1.37 0.60 0.00 0.00 0.20 0.82 0.00 0.00 0.71 0.00 0.18 1.18 0.29 1.16 - 13 [ 0.18 .. 1.52]
870-> PHE 65 HB2 - PHE 68 HE* [ 1.79 4.85] 3.13 3.23 2.88 1.79 1.51 3.29 3.06 3.02 1.78 0.62 1.62 2.64 0.84 2.02 2.52 2.45 2.01 2.76 2.01 1.16 - 20 [ 0.62 .. 3.29]
871-> PHE 65 HB2 - TRP 70 HE1 [ 1.79 3.95] 2.94 4.35 0.00 0.72 0.00 1.52 3.32 3.36 0.75 0.00 0.12 2.95 2.59 0.00 0.37 0.00 0.00 0.23 0.00 0.00 - 12 [ 0.12 .. 4.35]
872-> PHE 65 HB2 - TRP 70 HZ2 [ 1.80 5.50] 0.30 1.13 0.00 0.23 0.00 0.81 0.00 0.15 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 6 [ 0.15 .. 1.13]
873-> PHE 65 HB3 - PHE 68 HE* [ 1.80 4.82] 1.86 2.45 1.36 0.34 0.17 2.33 2.29 1.96 0.16 0.00 0.95 1.73 0.00 0.76 1.51 1.09 0.87 1.79 1.17 0.45 - 18 [ 0.16 .. 2.45]
874-> PHE 65 HB3 - TRP 70 HD1 [ 1.80 5.50] 2.40 4.51 0.00 0.00 0.00 0.62 3.44 3.25 0.00 0.00 1.25 3.05 1.12 0.00 0.15 0.00 0.00 0.98 0.13 0.00 - 11 [ 0.13 .. 4.51]
875-> PHE 65 HB3 - TRP 70 HE1 [ 1.80 4.14] 2.95 4.79 0.00 0.00 0.00 1.24 3.25 3.39 0.08 0.00 0.32 2.92 1.84 0.00 0.02 0.00 0.00 0.09 0.00 0.00 - 11 [ 0.02 .. 4.79]
876-> PHE 65 HB3 - TRP 70 HZ2 [ 1.80 5.50] 0.00 1.30 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 0.00 0.00 - 2 [ 0.92 .. 1.30]
877-> PHE 65 HB3 - TRP 70 HH2 [ 1.80 5.50] 0.00 0.00 0.00 0.68 0.94 2.59 0.00 0.00 0.00 0.49 1.45 0.00 0.00 1.94 1.84 0.14 0.62 1.02 1.78 0.00 - 11 [ 0.14 .. 2.59]
878-> PHE 65 HZ - LEU 116 HD2* [ 1.80 4.54] 1.18 4.07 5.12 7.82 4.01 4.83 2.37 2.18 4.64 4.08 4.67 4.50 2.22 3.23 3.21 2.31 2.78 4.18 4.54 3.29 - 20 [ 1.18 .. 7.82]
879-> PHE 65 HZ - MET 120 HG* [ 1.80 6.38] 0.00 0.00 0.00 1.49 0.00 1.16 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 - 2 [ 1.16 .. 1.49]
880-> PHE 65 HZ - ARG 121 HA [ 1.80 5.22] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.39 .. 1.39]
881-> PHE 65 HZ - ARG 121 HB* [ 1.80 6.38] 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 0.00 0.00 - 1 [ 0.28 .. 0.28]
882-> PHE 65 HZ - ARG 121 HG2 [ 1.80 5.50] 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.79 0.00 1.41 0.00 0.29 0.98 0.17 0.00 1.59 0.00 0.00 0.00 0.00 - 7 [ 0.17 .. 1.59]
883-> PHE 65 HZ - ARG 121 HG3 [ 1.80 5.50] 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.13 0.00 0.00 0.70 0.00 0.00 0.00 0.00 - 4 [ 0.13 .. 1.10]
884-> PHE 65 HZ - ARG 121 HG* [ 1.79 5.25] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.06 0.00 0.00 0.58 0.00 0.00 0.00 0.00 - 3 [ 0.06 .. 0.58]
885-> PHE 65 HZ - VAL 124 HG1* [ 1.80 5.44] 0.00 0.37 0.00 0.00 0.00 0.79 0.25 0.00 0.21 0.02 0.48 1.17 0.70 0.00 1.02 0.02 0.43 0.02 0.00 0.00 - 12 [ 0.02 .. 1.17]
886-> PHE 65 HZ - VAL 124 HG2* [ 1.80 5.44] 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.03 .. 1.30]
900-> GLN 67 HB3 - PHE 68 HN [ 1.79 4.01] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.13 .. 0.13]
903-> PHE 68 HN - PHE 68 HB2 [ 1.79 3.83] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 - 1 [ 0.14 .. 0.14]
907-> PHE 68 HN - PHE 68 HZ [ 1.80 5.50] 1.00 1.15 0.98 0.72 0.98 1.14 0.94 0.98 0.73 0.74 0.99 0.91 1.11 1.02 1.08 1.07 1.00 1.05 1.03 0.23 - 20 [ 0.23 .. 1.15]
917-> PHE 68 HD* - TRP 70 HE1 [ 1.80 5.50] 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.25 .. 0.25]
918-> PHE 68 HD* - THR 99 HG2* [ 1.80 5.94] 0.00 0.00 0.70 0.18 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 - 4 [ 0.09 .. 1.40]
919-> PHE 68 HE* - TRP 70 HH2 [ 1.80 3.70] 0.31 0.21 3.72 3.85 1.90 3.55 1.93 0.66 3.85 1.45 0.95 2.10 1.13 2.49 1.33 0.97 1.08 0.43 1.23 0.15 - 20 [ 0.15 .. 3.85]
920-> PHE 68 HZ - THR 99 HB [ 1.80 5.50] 3.39 1.00 3.22 5.78 0.35 3.15 0.00 0.00 1.50 0.00 0.00 2.58 0.65 1.21 0.08 0.00 0.00 0.00 0.00 0.00 - 12 [ 0.00 .. 5.78]
921-> PHE 68 HZ - THR 99 HG2* [ 1.79 6.53] 0.00 0.00 1.02 0.87 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.87 .. 1.02]
922-> PHE 68 HZ - VAL 124 HB [ 1.80 5.22] 2.53 2.04 5.50 4.70 0.00 1.36 1.49 1.89 0.56 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.05 0.83 0.14 2.30 - 13 [ 0.05 .. 5.50]
923-> PHE 68 HZ - VAL 124 HG2* [ 1.80 5.32] 2.24 2.03 3.92 3.79 0.38 1.35 1.81 1.82 1.27 0.46 0.50 0.00 0.00 0.41 1.20 0.43 0.81 1.06 0.84 0.00 - 17 [ 0.38 .. 3.92]
924-> PHE 68 HD* - TRP 70 HE1 [ 1.80 5.50] 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.25 .. 0.25]
933-> TRP 70 HN - TRP 70 HD1 [ 1.80 3.58] 1.37 1.29 0.00 0.00 0.00 0.00 0.29 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.29 .. 1.37]
934-> TRP 70 HN - TRP 70 HE1 [ 1.80 4.66] 1.53 1.47 0.42 0.13 0.34 0.62 0.99 1.47 0.34 0.42 0.42 0.75 0.97 0.38 0.29 0.38 0.27 0.26 0.38 0.39 - 20 [ 0.13 .. 1.53]
940-> TRP 70 HB2 - GLN 71 HN [ 1.80 3.86] 0.51 0.52 0.46 0.14 0.44 0.48 0.32 0.60 0.57 0.47 0.37 0.29 0.52 0.38 0.45 0.49 0.46 0.38 0.40 0.35 - 20 [ 0.14 .. 0.60]
944-> TRP 70 HE3 - GLN 71 HN [ 1.80 5.00] 1.36 1.43 0.00 0.23 0.00 0.00 1.39 1.48 0.82 0.00 0.00 1.31 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 8 [ 0.23 .. 1.56]
945-> TRP 70 HZ3 - VAL 97 HG1* [ 1.80 4.82] 2.49 1.19 0.00 0.00 0.00 0.00 0.64 1.53 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.64 .. 2.49]
946-> TRP 70 HZ3 - PHE 98 HN [ 1.80 4.76] 5.64 4.60 0.00 0.30 0.00 0.00 3.56 4.72 2.02 0.00 0.00 5.45 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 8 [ 0.30 .. 5.64]
947-> TRP 70 HZ3 - THR 99 HG2* [ 1.80 4.98] 1.09 2.46 0.00 0.00 0.00 0.01 3.86 0.46 3.64 0.31 0.00 3.64 2.31 0.12 0.21 0.00 0.00 0.12 0.35 0.89 - 14 [ 0.01 .. 3.86]
950-> TRP 70 HH2 - VAL 97 HG1* [ 1.80 5.16] 1.48 0.01 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.01 .. 1.48]
951-> TRP 70 HH2 - THR 99 HG2* [ 1.79 5.81] 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 1.32 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 1.32 .. 1.41]
969-> VAL 72 HB - ALA 73 HN [ 1.80 4.20] 0.00 0.08 0.06 0.08 0.19 0.00 0.07 0.14 0.00 0.09 0.05 0.04 0.05 0.05 0.05 0.05 0.03 0.04 0.09 0.03 - 17 [ 0.03 .. 0.19]
979-> VAL 74 HN - VAL 74 HG2* [ 1.79 3.49] 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.50 .. 0.50]
982-> VAL 74 HB - ALA 75 HN [ 1.79 4.01] 0.09 0.12 0.00 0.27 0.30 0.00 0.37 0.00 0.23 0.00 0.10 0.32 0.37 0.23 0.00 0.19 0.00 0.00 0.29 0.00 - 12 [ 0.09 .. 0.37]
998-> LEU 77 HN - LEU 77 HD1* [ 1.80 4.36] 0.15 0.05 0.00 0.02 0.02 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.60 - 7 [ 0.01 .. 0.60]
999-> LEU 77 HN - GLU 78 HN [ 1.79 3.33] 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.18 .. 0.18]
1009-> GLU 78 HN - GLU 78 HB2 [ 1.79 3.33] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 - 1 [ 0.33 .. 0.33]
1010-> GLU 78 HN - GLU 78 HB3 [ 1.79 2.93] 0.65 0.67 0.64 0.71 0.67 0.66 0.66 0.00 0.68 0.66 0.00 0.68 0.67 0.66 0.65 0.00 0.70 0.66 0.00 0.70 - 16 [ 0.64 .. 0.71]
1014-> GLU 78 HA - GLU 78 HB2 [ 1.80 2.90] 0.10 0.11 0.11 0.11 0.11 0.10 0.10 0.00 0.11 0.11 0.00 0.11 0.11 0.11 0.11 0.00 0.12 0.10 0.00 0.10 - 16 [ 0.10 .. 0.12]
1016-> GLU 78 HB2 - GLN 79 HN [ 1.80 3.76] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.11 0.00 - 4 [ 0.09 .. 0.50]
1017-> GLU 78 HB3 - GLN 79 HN [ 1.79 4.01] 0.00 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.00 - 3 [ 0.04 .. 0.16]
1031-> GLN 79 HB3 - SER 80 HN [ 1.80 3.86] 0.33 0.16 0.00 0.00 0.20 0.23 0.12 0.05 0.35 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.25 - 10 [ 0.05 .. 0.35]
1034-> SER 80 HN - ALA 82 HN [ 1.79 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 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.17 .. 0.17]
1037-> SER 80 HA - ILE 83 HA [ 1.79 5.41] 0.31 0.27 0.00 0.00 0.11 0.46 0.00 0.56 0.32 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.06 0.54 - 11 [ 0.00 .. 0.56]
1041-> GLU 81 HN - GLU 81 HB3 [ 1.79 3.05] 0.54 0.54 0.00 0.52 0.53 0.54 0.53 0.54 0.00 0.55 0.55 0.00 0.54 0.00 0.00 0.56 0.00 0.53 0.00 0.00 - 12 [ 0.52 .. 0.56]
1046-> GLU 81 HA - GLU 81 HB2 [ 1.80 2.80] 0.20 0.20 0.00 0.20 0.20 0.20 0.21 0.21 0.00 0.22 0.21 0.00 0.21 0.00 0.00 0.21 0.00 0.20 0.00 0.00 - 12 [ 0.20 .. 0.22]
1048-> GLU 81 HB3 - ALA 82 HN [ 1.79 2.77] 0.85 0.81 0.00 0.60 0.73 0.80 0.70 0.74 0.00 0.66 1.01 0.00 0.54 0.00 0.00 0.60 0.00 0.73 0.00 0.00 - 12 [ 0.54 .. 1.01]
1082-> GLY 84 HA2 - VAL 89 HB [ 1.79 4.63] 0.31 0.05 0.00 0.06 0.00 0.03 0.00 0.00 0.00 0.14 0.00 0.00 0.22 0.00 0.20 0.05 0.00 0.00 0.00 0.00 - 8 [ 0.03 .. 0.31]
1088-> GLY 84 HA3 - VAL 89 HB [ 1.80 5.50] 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 0.00 0.25 0.00 0.12 0.00 0.00 0.00 0.00 - 4 [ 0.12 .. 0.25]
1091-> ASP 85 HN - ASP 85 HB3 [ 1.80 2.90] 0.66 0.65 0.00 0.65 0.66 0.65 0.00 0.65 0.65 0.66 0.65 0.66 0.65 0.66 0.65 0.65 0.65 0.00 0.65 0.65 - 17 [ 0.65 .. 0.66]
1096-> ASP 85 HA - ASN 88 HN [ 1.79 3.95] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.41 .. 0.41]
1097-> ASP 85 HA - VAL 89 HN [ 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 0.20 0.00 0.00 0.00 0.00 0.15 0.00 - 2 [ 0.15 .. 0.20]
1099-> ASP 85 HB3 - ARG 86 HN [ 1.79 3.11] 0.56 0.56 0.00 0.36 0.51 0.47 0.00 0.49 0.40 0.41 0.35 0.69 0.56 0.32 0.40 0.52 0.32 0.00 0.25 0.43 - 17 [ 0.25 .. 0.69]
1101-> ARG 86 HN - ARG 86 HB3 [ 1.79 2.93] 0.00 0.00 0.69 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.66 .. 0.69]
1106-> ARG 86 HN - ARG 86 HD3 [ 1.80 5.50] 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.47 0.49 0.00 0.45 0.00 0.48 0.00 - 6 [ 0.45 .. 0.49]
1118-> ARG 86 HG* - PHE 98 HZ [ 1.80 6.38] 0.00 0.00 1.79 0.00 0.00 0.00 2.02 0.00 0.01 0.10 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.05 0.00 0.68 - 7 [ 0.01 .. 2.02]
1125-> PHE 87 HN - ASN 88 HD21 [ 1.80 5.50] 2.06 2.21 1.14 0.59 2.20 2.18 2.22 2.22 2.26 2.17 2.23 2.33 2.11 2.13 2.08 2.17 2.26 1.22 0.44 2.26 - 20 [ 0.44 .. 2.33]
1126-> PHE 87 HN - ASN 88 HD22 [ 1.80 5.50] 2.97 3.11 1.21 0.86 3.10 3.09 3.10 3.13 3.15 3.06 3.12 3.27 3.04 2.99 2.97 3.04 3.14 1.27 0.72 3.15 - 20 [ 0.72 .. 3.27]
1127-> PHE 87 HN - ASN 88 HD2* [ 1.80 5.16] 1.90 2.03 0.79 0.38 2.02 2.01 2.04 2.05 2.08 1.99 2.05 2.15 1.95 1.95 1.91 1.99 2.07 0.85 0.25 2.08 - 20 [ 0.25 .. 2.15]
1128-> PHE 87 HN - VAL 89 HN [ 1.80 4.04] 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.08 - 4 [ 0.03 .. 0.18]
1147-> PHE 87 HZ - LEU 103 HD2* [ 1.79 6.53] 0.00 0.12 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.12 .. 0.80]
1148-> PHE 87 HE* - LEU 103 HD2* [ 1.79 5.29] 0.00 0.01 0.00 0.62 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 0.00 0.00 - 3 [ 0.01 .. 0.62]
1157-> ASN 88 HB2 - VAL 89 HN [ 1.79 4.35] 0.43 0.43 0.00 0.10 0.42 0.40 0.39 0.38 0.41 0.41 0.42 0.42 0.47 0.35 0.43 0.40 0.43 0.02 0.00 0.47 - 18 [ 0.02 .. 0.47]
1159-> VAL 89 HN - VAL 89 HB [ 1.79 2.77] 1.02 1.03 0.02 1.01 0.00 1.00 0.00 0.00 0.00 0.95 0.00 0.00 0.96 1.01 0.90 1.02 0.00 0.00 0.04 0.00 - 11 [ 0.02 .. 1.03]
1163-> VAL 89 HB - ALA 94 HB* [ 1.80 6.16] 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.27 .. 0.27]
1174-> PRO 93 HB2 - ALA 94 HN [ 1.80 3.92] 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.05 0.23 0.33 0.05 0.00 0.15 0.00 0.00 - 7 [ 0.02 .. 0.33]
1175-> PRO 93 HB3 - ALA 94 HN [ 1.80 3.98] 0.00 0.00 0.00 0.07 0.00 0.00 0.00 0.05 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.05 .. 0.22]
1177-> ALA 94 HA - THR 95 HN [ 1.79 2.71] 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.10 .. 0.10]
1178-> ALA 94 HA - THR 95 HB [ 1.80 5.50] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.23 .. 0.23]
1179-> ALA 94 HA - LEU 107 HN [ 1.80 4.14] 0.45 0.97 0.68 1.18 1.43 0.75 0.56 1.40 0.52 0.65 1.10 0.36 0.00 1.23 0.47 0.86 0.95 1.29 0.84 0.73 - 19 [ 0.36 .. 1.43]
1180-> ALA 94 HB* - THR 95 HN [ 1.80 3.68] 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]
1186-> THR 95 HN - THR 95 HB [ 1.80 3.14] 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 0.60 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.60 .. 0.60]
1189-> THR 95 HN - LEU 96 HD1* [ 1.79 6.53] 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.14 0.10 0.12 0.00 0.00 0.02 0.00 0.00 - 7 [ 0.01 .. 0.14]
1192-> THR 95 HN - ALA 106 HB* [ 1.80 4.98] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 - 1 [ 0.25 .. 0.25]
1193-> THR 95 HN - LEU 107 HN [ 1.79 3.27] 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.61 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.51 0.00 0.00 - 4 [ 0.10 .. 0.61]
1195-> THR 95 HN - LEU 107 HB3 [ 1.79 4.51] 0.00 0.00 0.00 0.00 0.20 0.32 0.00 0.00 0.00 0.00 0.25 0.55 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.27 - 6 [ 0.20 .. 0.55]
1198-> THR 95 HA - LEU 107 HB3 [ 1.80 5.50] 1.18 0.00 0.75 1.05 1.25 1.36 0.82 0.00 0.08 0.87 1.00 1.82 0.83 1.20 0.00 0.72 0.00 1.06 1.23 1.12 - 16 [ 0.08 .. 1.82]
1201-> THR 95 HB - LEU 107 HA [ 1.80 5.50] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.07 0.00 0.00 - 3 [ 0.07 .. 1.49]
1202-> THR 95 HB - LEU 107 HB2 [ 1.80 5.50] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.32 .. 0.32]
1222-> LEU 96 HB3 - VAL 97 HN [ 1.79 3.21] 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.00 - 3 [ 0.09 .. 0.19]
1229-> LEU 96 HD1* - ALA 106 HA [ 1.80 5.26] 0.20 0.00 0.37 0.56 0.43 0.00 0.00 0.00 0.26 0.21 0.01 0.80 0.37 0.22 0.00 0.00 0.00 0.26 0.07 0.00 - 12 [ 0.01 .. 0.80]
1245-> VAL 97 HN - ALA 106 HA [ 1.79 3.45] 0.00 0.03 0.00 0.00 0.00 0.03 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 0.19 - 4 [ 0.03 .. 0.29]
1276-> PHE 98 HZ - LEU 103 HG [ 1.80 5.50] 0.44 0.29 0.00 0.05 0.01 0.30 0.00 0.10 0.58 0.41 0.41 0.31 0.07 0.21 0.20 0.43 0.00 0.47 0.34 0.11 - 17 [ 0.01 .. 0.58]
1278-> PHE 98 HE* - THR 99 HN [ 1.80 5.50] 0.71 0.60 0.44 0.54 0.48 0.55 0.41 0.70 0.52 0.59 0.68 0.55 0.51 0.57 0.48 0.68 0.45 0.68 0.65 0.54 - 20 [ 0.41 .. 0.71]
1290-> THR 99 HB - ASP 100 HN [ 1.79 3.39] 0.66 0.73 0.76 0.71 0.69 0.70 0.69 0.00 0.67 0.69 0.00 0.78 0.67 0.82 0.89 0.00 0.57 0.50 0.78 0.73 - 17 [ 0.50 .. 0.89]
1299-> ASP 100 HA - GLY 101 HN [ 1.80 2.96] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.13 0.07 0.00 - 5 [ 0.00 .. 0.13]
1301-> ASP 100 HB2 - LYS 102 HN [ 1.80 4.32] 0.00 0.00 0.60 0.00 0.00 0.51 0.00 0.65 0.00 0.00 0.00 0.49 0.00 0.59 0.54 0.00 0.00 0.00 0.00 0.00 - 6 [ 0.49 .. 0.65]
1303-> ASP 100 HB3 - LYS 102 HN [ 1.80 4.32] 0.20 0.45 0.00 0.48 0.19 0.00 0.29 0.00 0.29 0.20 0.63 0.00 0.35 0.00 0.00 0.36 0.38 0.18 0.01 0.43 - 14 [ 0.01 .. 0.63]
1355-> ARG 104 HB2 - GLY 105 HN [ 1.80 3.86] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.16 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.01 .. 0.27]
1357-> ARG 104 HB2 - ILE 123 HD1* [ 1.79 5.69] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.39 .. 1.09]
1358-> ARG 104 HB3 - GLY 105 HN [ 1.80 3.86] 0.00 0.00 0.03 0.06 0.12 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.00 0.00 0.06 0.02 0.00 0.03 - 8 [ 0.02 .. 0.26]
1365-> ARG 104 HG3 - GLY 105 HN [ 1.80 5.50] 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.05 .. 0.10]
1369-> GLY 105 HN - ILE 123 HG2* [ 1.80 4.82] 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.41 .. 0.98]
1377-> LEU 107 HN - LEU 107 HB3 [ 1.79 3.49] 0.21 0.00 0.13 0.15 0.16 0.19 0.16 0.00 0.00 0.13 0.22 0.27 0.26 0.12 0.00 0.23 0.00 0.20 0.09 0.15 - 15 [ 0.09 .. 0.27]
1380-> LEU 107 HB3 - LEU 107 HG [ 1.80 2.40] 0.64 0.14 0.64 0.64 0.64 0.64 0.64 0.18 0.14 0.64 0.64 0.64 0.64 0.64 0.15 0.64 0.14 0.64 0.64 0.64 - 20 [ 0.14 .. 0.64]
1382-> LEU 107 HD1* - MET 120 HA [ 1.80 5.32] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.20 .. 0.77]
1394-> TRP 113 HA - TRP 113 HE1 [ 1.80 5.50] 0.00 0.00 0.82 0.00 0.00 0.00 0.02 0.00 0.87 0.00 0.75 0.00 0.84 0.00 0.86 0.05 0.00 0.90 0.00 0.00 - 8 [ 0.02 .. 0.90]
1397-> TRP 113 HB3 - ALA 114 HN [ 1.79 5.03] 0.00 0.00 0.00 0.16 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.01 .. 0.16]
1398-> TRP 113 HB* - ALA 114 HN [ 1.80 4.44] 0.05 0.00 0.00 0.19 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.03 .. 0.19]
1399-> TRP 113 HD1 - ALA 114 HN [ 1.80 5.50] 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.12 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.12 .. 0.52]
1401-> TRP 113 HD1 - GLU 115 HN [ 1.80 5.50] 1.29 1.43 1.09 1.93 1.43 1.89 1.75 0.91 0.55 1.35 0.00 0.00 1.35 0.60 0.00 0.59 0.77 0.05 1.21 2.40 - 17 [ 0.05 .. 2.40]
1402-> TRP 113 HE3 - ALA 114 HN [ 1.80 5.50] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.57 0.00 0.00 0.29 0.00 1.47 0.00 0.00 0.00 - 4 [ 0.08 .. 1.47]
1403-> TRP 113 HE3 - LEU 116 HD2* [ 1.79 6.53] 0.00 2.92 0.24 0.00 1.34 3.13 0.00 0.00 1.85 0.00 0.53 1.59 0.74 2.15 0.00 2.11 0.00 0.83 0.00 0.00 - 11 [ 0.24 .. 3.13]
1404-> TRP 113 HE1 - LEU 117 HD2* [ 1.79 3.71] 3.72 0.87 5.32 4.86 3.63 0.00 3.55 2.53 5.66 6.63 2.84 1.68 4.43 3.28 4.35 0.30 3.46 3.49 2.06 0.41 - 19 [ 0.30 .. 6.63]
1405-> TRP 113 HZ2 - LEU 116 HD2* [ 1.79 5.19] 1.31 5.05 3.87 1.70 3.11 5.01 0.00 0.31 5.83 0.87 5.07 1.75 4.75 3.54 3.87 6.67 0.55 5.28 0.59 0.42 - 19 [ 0.31 .. 6.67]
1406-> TRP 113 HZ2 - LEU 117 HD2* [ 1.80 4.82] 3.00 0.41 3.66 4.17 2.31 0.00 1.52 1.45 4.32 5.25 0.80 0.63 3.76 2.03 4.60 0.00 3.22 1.51 0.00 0.00 - 16 [ 0.41 .. 5.25]
1407-> TRP 113 HH2 - LEU 116 HD2* [ 1.80 6.16] 1.22 5.40 3.57 0.00 3.50 5.01 0.00 0.82 5.22 0.00 4.17 2.48 4.31 3.99 2.61 5.34 1.09 4.34 1.08 0.85 - 17 [ 0.82 .. 5.40]
1424-> LEU 116 HN - LEU 116 HB3 [ 1.79 3.33] 0.00 0.28 0.10 0.29 0.20 0.28 0.00 0.00 0.25 0.27 0.29 0.29 0.00 0.24 0.00 0.30 0.00 0.26 0.16 0.00 - 13 [ 0.10 .. 0.30]
1433-> LEU 116 HA - LEU 119 HN [ 1.79 3.89] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 - 1 [ 0.25 .. 0.25]
1434-> LEU 116 HA - MET 120 HN [ 1.80 3.52] 0.58 0.13 0.35 1.02 0.44 0.26 0.54 0.42 0.87 1.08 0.42 1.03 0.57 0.12 0.89 0.00 0.67 0.75 0.33 1.15 - 19 [ 0.12 .. 1.15]
1435-> LEU 116 HB2 - LEU 117 HN [ 1.79 3.73] 0.05 0.00 0.00 0.00 0.00 0.00 0.14 0.17 0.00 0.00 0.00 0.00 0.14 0.00 0.10 0.00 0.10 0.00 0.00 0.08 - 7 [ 0.05 .. 0.17]
1436-> LEU 116 HB3 - LEU 117 HN [ 1.79 3.73] 0.00 0.09 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.46 0.12 0.30 0.00 0.03 0.00 0.12 0.00 0.29 0.00 0.00 - 8 [ 0.03 .. 0.46]
1445-> LEU 117 HN - LEU 117 HG [ 1.80 3.86] 0.00 0.00 0.56 0.57 0.53 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.57 0.00 0.61 0.00 0.00 0.62 0.58 - 8 [ 0.32 .. 0.62]
1446-> LEU 117 HN - LEU 117 HD2* [ 1.79 4.05] 0.00 0.00 0.18 0.19 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.18 0.00 0.00 0.20 0.22 - 7 [ 0.18 .. 0.22]
1450-> LEU 117 HB2 - THR 118 HN [ 1.79 3.61] 0.00 0.00 0.22 0.29 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.13 0.00 0.00 0.16 0.23 - 7 [ 0.13 .. 0.29]
1451-> LEU 117 HB3 - THR 118 HN [ 1.79 3.61] 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.18 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 - 7 [ 0.00 .. 0.18]
1455-> THR 118 HN - THR 118 HB [ 1.79 2.93] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.71 .. 0.71]
1458-> THR 118 HA - ARG 121 HN [ 1.80 4.04] 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.44 .. 0.44]
1459-> THR 118 HA - ARG 121 HB* [ 1.79 4.15] 0.00 0.00 0.00 0.77 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 - 1 [ 0.77 .. 0.77]
1460-> THR 118 HB - LEU 119 HN [ 1.79 3.27] 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 0.66 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.66 .. 0.66]
1469-> LEU 119 HB2 - MET 120 HN [ 1.79 3.49] 0.39 0.00 0.00 0.00 0.00 0.00 0.35 0.42 0.00 0.00 0.00 0.00 0.26 0.28 0.00 0.28 0.00 0.00 0.00 0.00 - 6 [ 0.26 .. 0.42]
1470-> LEU 119 HB3 - MET 120 HN [ 1.79 3.49] 0.00 0.00 0.00 0.66 0.00 0.07 0.00 0.00 0.27 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 - 6 [ 0.00 .. 0.66]
1487-> ARG 121 HN - ARG 121 HB3 [ 1.79 3.27] 0.00 0.00 0.34 0.35 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.30 .. 0.35]
1495-> ARG 121 HA - VAL 124 HN [ 1.80 4.14] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 - 2 [ 0.14 .. 0.35]
1501-> ARG 121 HD2 - SER 122 HN [ 1.80 5.50] 0.25 0.16 1.01 0.00 0.98 0.40 0.00 0.14 0.00 0.39 0.31 0.08 0.27 0.00 0.26 0.19 0.10 0.19 0.28 0.35 - 16 [ 0.08 .. 1.01]
1502-> ARG 121 HD3 - SER 122 HN [ 1.80 5.50] 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.45 .. 0.60]
1503-> SER 122 HN - SER 122 HB2 [ 1.79 3.11] 0.51 0.50 0.55 0.00 0.53 0.52 0.44 0.48 0.45 0.55 0.47 0.00 0.50 0.48 0.51 0.46 0.49 0.52 0.53 0.55 - 18 [ 0.44 .. 0.55]
1504-> SER 122 HN - SER 122 HB3 [ 1.79 3.11] 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.46 .. 0.47]
1516-> ILE 123 HN - ASP 125 HN [ 1.79 5.41] 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 - 2 [ 0.15 .. 1.11]
1525-> VAL 124 HN - ASP 125 HN [ 1.80 3.24] 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 - 2 [ 0.69 .. 1.18]
1526-> VAL 124 HA - ASP 125 HN [ 1.79 3.33] 0.09 0.03 0.00 0.11 0.00 0.02 0.01 0.01 0.00 0.00 0.05 0.00 0.00 0.09 0.00 0.00 0.00 0.13 0.00 0.00 - 9 [ 0.01 .. 0.13]
1529-> ASP 125 HN - ASP 125 HB2 [ 1.80 3.36] 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.32 0.27 0.00 0.00 0.00 0.51 - 5 [ 0.27 .. 0.51]
1530-> ASP 125 HN - ASP 125 HB3 [ 1.80 3.36] 0.20 0.00 0.25 0.20 0.00 0.20 0.19 0.00 0.00 0.00 0.20 0.00 0.00 0.20 0.00 0.00 0.00 0.21 0.00 0.00 - 8 [ 0.19 .. 0.25]
-------------------------------------------
Number of Violations greater than 0.10 143 128 134 141 119 128 128 108 127 133 121 132 132 108 117 118 102 129 115 109
-------------------------------------------
---- 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: 14 18 11 25 23 18 26 14 13 21 14 15 18 16 22 18 19 20 19 17 18.05
0.2 - 0.5 ang: 38 21 26 29 28 25 31 26 31 38 32 35 28 33 31 34 26 29 24 32 29.85
> 0.5 ang: 91 89 97 87 68 85 71 68 83 74 75 82 86 59 64 66 57 80 72 60 75.70
Total : 161 154 154 154 133 148 146 127 148 153 140 148 154 130 137 131 119 151 143 132 143.15
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 : 5.641 5.397 9.965 7.819 8.649 5.007 3.859 4.725 9.102 6.633 5.069 5.481 6.817 3.986 8.107 6.666 4.399 6.333 7.588 4.196 9.965
Max Intra Viol : 1.528 1.474 0.981 1.231 0.975 1.139 0.993 1.466 1.767 1.206 1.282 0.910 1.106 1.023 1.080 1.276 1.003 1.051 1.801 0.696 1.801
Max Seque Viol : 2.970 3.106 1.349 1.680 3.095 3.086 3.097 3.132 3.149 3.065 3.118 3.267 3.042 2.989 2.970 3.040 3.139 2.167 1.626 3.150 3.267
Max Medium Viol : 3.717 5.397 5.616 4.856 4.902 5.007 3.545 3.017 5.829 6.633 5.069 2.642 4.749 3.986 4.595 6.666 3.458 5.284 3.801 2.396 6.666
Max Long Viol : 5.641 4.788 9.965 7.819 8.649 4.827 3.859 4.725 9.102 6.100 4.674 5.481 6.817 3.235 8.107 4.174 4.399 6.333 7.588 4.196 9.965
Average Violation : 0.105 0.108 0.167 0.100 0.103 0.098 0.081 0.069 0.138 0.097 0.077 0.090 0.102 0.061 0.107 0.071 0.068 0.104 0.099 0.059 0.09522
Avge Intra Viol : 0.032 0.032 0.023 0.028 0.020 0.023 0.023 0.022 0.024 0.026 0.024 0.023 0.030 0.027 0.022 0.027 0.016 0.021 0.027 0.024 0.02473
Avge Seque Viol : 0.072 0.081 0.132 0.085 0.083 0.103 0.075 0.054 0.101 0.088 0.067 0.087 0.079 0.071 0.065 0.062 0.047 0.090 0.077 0.045 0.07816
Avge Mediu Viol : 0.099 0.102 0.071 0.076 0.094 0.097 0.094 0.094 0.096 0.095 0.091 0.095 0.091 0.084 0.087 0.094 0.085 0.072 0.056 0.082 0.08783
Avge Long Viol : 0.191 0.191 0.347 0.177 0.188 0.152 0.126 0.109 0.274 0.161 0.121 0.143 0.184 0.071 0.216 0.103 0.119 0.195 0.190 0.090 0.16738
RMS Violation : 0.467 0.515 0.846 0.525 0.599 0.467 0.395 0.353 0.780 0.503 0.383 0.433 0.527 0.319 0.635 0.380 0.370 0.548 0.547 0.317 0.51425
RMS Intra : 0.168 0.168 0.115 0.133 0.103 0.121 0.115 0.130 0.136 0.127 0.126 0.113 0.140 0.126 0.117 0.135 0.091 0.107 0.144 0.109 0.12773
RMS Sequential : 0.376 0.486 0.635 0.445 0.492 0.549 0.368 0.276 0.603 0.505 0.406 0.374 0.457 0.401 0.423 0.470 0.283 0.506 0.406 0.206 0.44556
RMS Medium range : 0.364 0.381 0.259 0.232 0.367 0.361 0.360 0.371 0.367 0.359 0.367 0.376 0.355 0.337 0.337 0.362 0.362 0.266 0.204 0.350 0.34072
RMS Long range : 0.681 0.722 1.336 0.795 0.904 0.585 0.543 0.494 1.210 0.698 0.488 0.617 0.772 0.339 1.005 0.428 0.535 0.809 0.856 0.457 0.75688
Final --global-- Summary for 20 models, 1541 NOEs/model, 30820 NOEs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ of viol : 2934.623
Summ sq. viol : 8150.516
Maximum viol : 9.965
Average viol : 0.09522
RMSD viol : 0.51425
Std. Dev. viol : 0.50536
RMS Intra : 0.12773
RMS Seque : 0.44556
RMS Medi : 0.34072
RMS Long : 0.75688
table of dihedral angle constraints violations
21-> [ALA A 9] PHI -79.0 -49.0 0.0 0.0 0.0 0.0 0.0 0.0 1.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 11.5 - 2 [ 0.0 .. 11.5]
22-> [ALA A 9] PSI -55.0 -29.0 0.0 0.0 24.7 0.0 14.2 2.9 2.6 0.0 9.8 0.0 0.0 0.0 0.0 0.0 1.2 0.0 0.0 0.0 0.0 2.9 - 7 [ 0.0 .. 24.7]
23-> [LEU A 10] PHI -75.0 -53.0 0.0 0.0 26.0 0.0 0.0 0.0 0.0 1.1 0.0 0.0 29.3 0.0 0.0 0.0 0.0 0.0 0.0 0.3 0.0 0.0 - 4 [ 0.0 .. 29.3]
24-> [LEU A 10] PSI -51.0 -29.0 0.0 0.0 0.0 5.7 0.0 6.5 0.0 0.0 0.0 0.0 3.4 0.0 0.0 0.0 0.0 2.7 0.0 0.0 8.2 0.0 - 5 [ 0.0 .. 8.2]
25-> [TRP A 11] PHI -85.0 -49.0 0.0 0.0 7.1 0.3 0.0 0.0 0.0 0.0 5.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 7.1]
26-> [TRP A 11] PSI -59.0 -45.0 0.0 0.0 7.7 10.1 7.7 6.3 0.0 7.9 0.0 2.5 0.2 0.0 0.0 0.0 5.0 2.8 0.0 5.8 4.8 1.0 - 12 [ 0.0 .. 10.1]
28-> [GLN A 12] PSI -115.0 -25.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 11.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 11.1]
29-> [ARG A 13] PHI -73.0 -53.0 0.0 0.0 5.9 0.0 0.0 0.0 0.0 0.0 2.6 0.0 0.0 0.0 0.0 0.0 0.6 0.0 0.0 0.0 1.2 0.0 - 4 [ 0.0 .. 5.9]
30-> [ARG A 13] PSI -59.0 -29.0 0.0 0.0 0.0 3.9 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 2.1 0.0 - 2 [ 0.0 .. 3.9]
31-> [LEU A 14] PHI -75.0 -53.0 0.0 19.6 0.0 0.0 0.0 0.0 0.0 0.0 10.2 0.0 0.0 5.2 0.0 1.1 0.0 0.0 4.8 0.0 0.3 0.0 - 6 [ 0.0 .. 19.6]
32-> [LEU A 14] PSI -57.0 -27.0 0.0 8.3 0.0 0.0 0.0 0.0 0.0 0.0 4.6 0.0 0.0 2.8 0.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 8.3]
33-> [LEU A 15] PHI -75.0 -55.0 0.0 0.0 0.0 11.9 0.0 0.0 7.0 17.1 10.4 0.0 0.0 20.6 20.5 3.1 0.0 0.0 0.0 0.0 0.0 4.8 - 9 [ 0.0 .. 20.6]
34-> [LEU A 15] PSI -49.0 -27.0 0.0 0.0 0.4 3.1 0.0 0.0 10.1 6.8 22.2 0.0 0.0 20.4 11.2 6.4 0.0 2.9 0.0 0.0 9.8 4.3 - 11 [ 0.0 .. 22.2]
35-> [THR A 16] PHI -75.0 -51.0 11.6 3.0 15.1 0.0 12.9 0.7 0.0 0.0 0.0 13.4 0.0 0.0 0.0 0.0 0.0 1.2 0.0 0.0 14.3 0.0 - 8 [ 0.0 .. 15.1]
36-> [THR A 16] PSI -57.0 -27.0 7.5 5.8 11.9 0.0 11.7 6.9 0.2 0.0 0.0 5.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 33.5 1.8 - 9 [ 0.0 .. 33.5]
50-> [VAL A 22] PSI 155.0 -145.0 0.0 0.0 0.0 0.0 0.0 2.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.1 0.0 3.0 - 3 [ 0.0 .. 5.1]
53-> [GLU A 23] PSI 165.0 -145.0 0.0 0.0 0.0 0.6 0.4 1.4 0.0 8.3 0.0 0.6 0.0 0.0 1.1 0.0 0.0 0.0 5.1 0.0 3.3 2.8 - 9 [ 0.0 .. 8.3]
61-> [VAL A 27] PHI -77.0 -49.0 0.0 0.4 0.0 0.0 2.4 0.0 0.0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 2.4]
62-> [VAL A 27] PSI -53.0 -21.0 0.0 1.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.9 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.1]
63-> [ASP A 28] PHI -77.0 -51.0 10.5 0.0 0.0 11.4 0.0 0.0 1.2 0.0 0.0 0.0 13.0 0.0 0.0 0.0 0.0 6.3 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 13.0]
68-> [TRP A 30] PSI -55.0 -33.0 0.0 0.0 0.0 0.0 0.0 0.0 2.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.3]
70-> [ILE A 31] PSI -61.0 -31.0 0.0 0.0 0.0 0.0 0.0 0.0 10.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 10.1]
71-> [LYS A 32] PHI -75.0 -45.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.6 0.0 0.0 0.0 0.0 4.1 0.0 0.5 0.0 0.0 0.0 - 3 [ 0.0 .. 4.1]
72-> [LYS A 32] PSI -61.0 -21.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 5.0]
73-> [ARG A 33] PHI -80.0 -48.0 0.0 0.0 9.9 10.0 0.0 0.0 13.5 0.0 0.7 0.0 0.0 19.9 1.2 9.9 0.5 0.0 0.0 2.0 0.0 0.1 - 10 [ 0.0 .. 19.9]
74-> [ARG A 33] PSI -44.0 -20.0 0.0 0.0 0.0 0.0 0.0 0.0 3.3 4.0 0.0 5.7 0.0 2.0 0.0 0.0 8.3 0.0 8.6 16.7 0.0 0.0 - 7 [ 0.0 .. 16.7]
93-> [LEU A 41] PSI 105.0 -145.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 13.2 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 13.2]
111-> [ARG A 47] PSI -105.0 -135.0 0.0 0.0 0.0 0.0 0.0 0.0 3.8 0.0 0.0 0.0 0.0 0.0 10.0 0.0 12.3 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 12.3]
124-> [SER A 52] PSI -115.0 -125.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.8 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 4.8]
127-> [ASP A 53] PSI -105.0 -145.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 16.2 0.0 0.0 - 1 [ 0.0 .. 16.2]
130-> [ASN A 54] PSI 55.0 -45.0 0.0 0.0 0.0 0.0 0.0 1.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.8]
132-> [PRO A 55] PSI 45.0 15.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 5.2]
136-> [VAL A 56] PSI 75.0 35.0 0.0 0.0 0.0 0.0 0.0 4.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 4.3]
140-> [ILE A 58] PHI -81.0 -53.0 0.0 0.0 23.5 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 0.0 19.4 - 2 [ 0.0 .. 23.5]
142-> [ALA A 59] PHI -77.0 -47.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.7]
143-> [ALA A 59] PSI -57.0 -27.0 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 0.5 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.8]
144-> [GLU A 60] PHI -75.0 -53.0 2.6 0.0 0.0 0.0 0.0 3.0 5.6 0.0 14.8 0.0 0.0 15.0 9.7 0.0 0.0 5.1 3.7 0.0 0.0 0.0 - 8 [ 0.0 .. 15.0]
145-> [GLU A 60] PSI -53.0 -31.0 3.8 0.0 15.2 0.0 0.5 0.0 0.0 0.0 11.5 0.0 9.3 21.3 5.5 0.0 0.0 0.0 0.0 0.0 0.0 0.2 - 8 [ 0.0 .. 21.3]
146-> [LEU A 61] PHI -73.0 -53.0 0.0 0.0 5.1 4.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.6 0.0 0.0 0.0 0.0 2.8 0.0 0.0 0.0 - 4 [ 0.0 .. 5.1]
147-> [LEU A 61] PSI -57.0 -45.0 11.8 10.5 25.0 0.0 5.1 10.1 1.5 0.4 0.0 9.9 9.9 0.8 5.7 5.3 0.0 3.4 0.0 7.1 0.9 1.8 - 16 [ 0.0 .. 25.0]
150-> [LEU A 62] PSI -115.0 -5.0 0.0 0.0 0.0 12.6 0.0 0.0 0.0 0.0 0.0 3.1 0.0 0.0 0.0 0.0 0.0 2.6 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 12.6]
155-> [GLU A 64] PSI -105.0 15.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 13.2 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 13.2]
181-> [VAL A 74] PHI -145.0 -119.0 1.2 0.0 0.0 0.0 0.0 0.0 8.4 0.0 0.0 0.0 0.4 1.4 14.1 0.0 0.0 2.4 0.0 0.0 7.8 0.0 - 7 [ 0.0 .. 14.1]
182-> [VAL A 74] PSI 115.0 -175.0 0.0 0.0 0.0 0.0 0.0 0.0 5.2 0.0 0.0 0.0 0.0 0.0 6.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 6.1]
189-> [ASP A 76] PSI -105.0 -145.0 0.0 0.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10.1 0.0 0.0 10.0 0.0 - 3 [ 0.0 .. 10.1]
194-> [GLU A 78] PHI -77.0 -53.0 0.0 0.0 0.0 22.7 8.0 0.0 0.0 0.0 6.8 0.0 0.0 4.0 5.1 0.0 6.0 12.0 13.2 0.0 0.1 12.3 - 10 [ 0.0 .. 22.7]
195-> [GLU A 78] PSI -53.0 -33.0 0.0 11.8 3.0 26.8 12.6 10.5 12.8 0.0 17.3 3.3 0.0 0.0 0.0 3.1 1.0 21.1 0.0 4.0 0.0 7.0 - 13 [ 0.0 .. 26.8]
196-> [GLN A 79] PHI -75.0 -55.0 12.7 0.0 0.0 0.0 0.0 9.4 14.3 7.7 36.6 0.0 0.0 0.0 0.0 3.4 0.0 0.0 0.0 0.0 2.8 14.8 - 8 [ 0.0 .. 36.6]
197-> [GLN A 79] PSI -51.0 -25.0 22.7 5.4 0.0 0.0 2.7 13.5 0.5 0.5 16.9 0.0 0.0 0.0 0.0 0.0 0.0 0.5 0.0 0.0 2.1 14.4 - 10 [ 0.0 .. 22.7]
199-> [SER A 80] PSI -55.0 -19.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.3 3.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 3.2]
203-> [ALA A 82] PSI -51.0 -29.0 0.0 0.0 0.0 1.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.7]
207-> [GLY A 84] PSI -51.0 -29.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 10.2]
209-> [ASP A 85] PSI -51.0 -31.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 7.1]
225-> [ARG A 91] PSI -105.0 -135.0 0.0 0.0 0.0 0.0 0.0 0.0 7.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 7.0]
227-> [PHE A 92] PHI 155.0 85.0 5.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 18.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 18.7]
230-> [PRO A 93] PSI 115.0 -35.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.7 0.0 0.0 0.0 0.0 7.5 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 7.5]
235-> [THR A 95] PHI -147.0 -77.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 12.7 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 12.7]
236-> [THR A 95] PSI 117.0 149.0 0.0 4.5 4.8 6.1 1.2 3.7 0.0 7.2 0.0 0.0 7.2 0.0 0.0 0.0 25.4 0.0 0.0 0.0 0.0 0.0 - 8 [ 0.0 .. 25.4]
237-> [LEU A 96] PHI -117.0 -93.0 4.3 6.3 12.9 11.0 14.8 0.0 0.0 10.1 0.0 7.4 4.9 12.8 14.2 0.0 1.1 0.0 5.9 0.0 8.6 0.0 - 13 [ 0.0 .. 14.8]
246-> [THR A 99] PSI 125.0 -165.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.5 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 4.5]
250-> [ASP A 100] PSI 15.0 115.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.7 0.0 0.0 - 1 [ 0.0 .. 2.7]
254-> [LYS A 102] PSI 145.0 -125.0 0.0 0.0 17.6 9.8 0.0 0.0 0.0 0.0 0.0 0.0 9.6 0.0 9.7 0.0 2.3 0.0 0.0 0.0 0.0 4.3 - 7 [ 0.0 .. 17.6]
266-> [ALA A 106] PSI 125.0 -155.0 0.0 0.0 0.0 0.0 0.0 9.6 0.0 26.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 26.9]
276-> [HIS A 111] PSI 55.0 -45.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.3 0.0 0.0 0.0 - 2 [ 0.0 .. 2.0]
282-> [TRP A 113] PSI 85.0 25.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 8.9 0.0 0.0 0.0 - 1 [ 0.0 .. 8.9]
284-> [ALA A 114] PHI 155.0 95.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 27.9 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 27.9]
288-> [LEU A 116] PHI -69.0 -49.0 0.0 12.4 5.6 12.1 12.7 14.2 0.0 0.9 0.0 13.3 10.9 9.9 3.5 7.7 0.0 22.6 0.0 10.8 0.0 0.0 - 13 [ 0.0 .. 22.6]
289-> [LEU A 116] PSI -55.0 -33.0 0.0 4.5 3.8 0.0 10.6 24.4 0.0 0.0 0.0 30.7 4.8 14.0 0.0 2.7 0.0 9.0 0.0 17.5 7.0 0.0 - 11 [ 0.0 .. 30.7]
290-> [LEU A 117] PHI -71.0 -51.0 0.0 1.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7.7 - 2 [ 0.0 .. 7.7]
293-> [THR A 118] PSI -51.0 -27.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.9 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.9]
294-> [LEU A 119] PHI -77.0 -49.0 0.0 0.0 0.0 7.5 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 0.0 - 1 [ 0.0 .. 7.5]
295-> [LEU A 119] PSI -49.0 -35.0 0.0 0.0 0.0 25.1 0.0 0.0 2.8 0.0 5.6 0.0 0.0 8.9 5.6 8.0 0.0 5.3 0.0 0.0 0.9 0.0 - 8 [ 0.0 .. 25.1]
296-> [MET A 120] PHI -81.0 -53.0 0.0 0.0 0.0 0.0 0.0 2.7 0.0 0.0 2.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 2.7]
300-> [SER A 122] PHI -75.0 -51.0 8.0 2.3 20.2 0.0 10.3 8.8 0.0 0.0 0.9 20.7 7.1 13.0 4.4 0.0 2.7 5.3 0.0 9.2 10.9 18.0 - 15 [ 0.0 .. 20.7]
301-> [SER A 122] PSI -53.0 -31.0 7.3 2.0 5.0 0.0 10.9 6.0 5.3 3.9 11.1 5.8 6.1 7.0 6.0 4.4 12.9 9.6 4.9 6.1 4.2 1.7 - 19 [ 0.0 .. 12.9]
303-> [ILE A 123] PSI -49.0 -27.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 9.2 0.0 0.0 0.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 9.2]
306-> [VAL A 124] PSI -115.0 35.0 0.0 0.0 81.0 0.0 0.0 0.0 0.0 0.0 7.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 42.8 - 3 [ 0.0 .. 81.0]
309-> [ASP A 125] PSI -95.0 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 0.0 0.0 0.0 0.0 0.0 14.8 - 1 [ 0.0 .. 14.8]
351-> [ALA A 9] PHI -79.0 -49.0 0.0 0.0 0.0 0.0 0.0 0.0 1.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 11.5 - 2 [ 0.0 .. 11.5]
352-> [ALA A 9] PSI -55.0 -29.0 0.0 0.0 24.7 0.0 14.2 2.9 2.6 0.0 9.8 0.0 0.0 0.0 0.0 0.0 1.2 0.0 0.0 0.0 0.0 2.9 - 7 [ 0.0 .. 24.7]
353-> [LEU A 10] PHI -75.0 -53.0 0.0 0.0 26.0 0.0 0.0 0.0 0.0 1.1 0.0 0.0 29.3 0.0 0.0 0.0 0.0 0.0 0.0 0.3 0.0 0.0 - 4 [ 0.0 .. 29.3]
354-> [LEU A 10] PSI -51.0 -29.0 0.0 0.0 0.0 5.7 0.0 6.5 0.0 0.0 0.0 0.0 3.4 0.0 0.0 0.0 0.0 2.7 0.0 0.0 8.2 0.0 - 5 [ 0.0 .. 8.2]
355-> [TRP A 11] PHI -85.0 -49.0 0.0 0.0 7.1 0.3 0.0 0.0 0.0 0.0 5.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 7.1]
356-> [TRP A 11] PSI -59.0 -45.0 0.0 0.0 7.7 10.1 7.7 6.3 0.0 7.9 0.0 2.5 0.2 0.0 0.0 0.0 5.0 2.8 0.0 5.8 4.8 1.0 - 12 [ 0.0 .. 10.1]
358-> [GLN A 12] PSI -115.0 -25.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 11.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 11.1]
359-> [ARG A 13] PHI -73.0 -53.0 0.0 0.0 5.9 0.0 0.0 0.0 0.0 0.0 2.6 0.0 0.0 0.0 0.0 0.0 0.6 0.0 0.0 0.0 1.2 0.0 - 4 [ 0.0 .. 5.9]
360-> [ARG A 13] PSI -59.0 -29.0 0.0 0.0 0.0 3.9 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 2.1 0.0 - 2 [ 0.0 .. 3.9]
361-> [LEU A 14] PHI -75.0 -53.0 0.0 19.6 0.0 0.0 0.0 0.0 0.0 0.0 10.2 0.0 0.0 5.2 0.0 1.1 0.0 0.0 4.8 0.0 0.3 0.0 - 6 [ 0.0 .. 19.6]
362-> [LEU A 14] PSI -57.0 -27.0 0.0 8.3 0.0 0.0 0.0 0.0 0.0 0.0 4.6 0.0 0.0 2.8 0.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 8.3]
363-> [LEU A 15] PHI -75.0 -55.0 0.0 0.0 0.0 11.9 0.0 0.0 7.0 17.1 10.4 0.0 0.0 20.6 20.5 3.1 0.0 0.0 0.0 0.0 0.0 4.8 - 9 [ 0.0 .. 20.6]
364-> [LEU A 15] PSI -49.0 -27.0 0.0 0.0 0.4 3.1 0.0 0.0 10.1 6.8 22.2 0.0 0.0 20.4 11.2 6.4 0.0 2.9 0.0 0.0 9.8 4.3 - 11 [ 0.0 .. 22.2]
365-> [THR A 16] PHI -75.0 -51.0 11.6 3.0 15.1 0.0 12.9 0.7 0.0 0.0 0.0 13.4 0.0 0.0 0.0 0.0 0.0 1.2 0.0 0.0 14.3 0.0 - 8 [ 0.0 .. 15.1]
366-> [THR A 16] PSI -57.0 -27.0 7.5 5.8 11.9 0.0 11.7 6.9 0.2 0.0 0.0 5.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 33.5 1.8 - 9 [ 0.0 .. 33.5]
380-> [VAL A 22] PSI 155.0 -145.0 0.0 0.0 0.0 0.0 0.0 2.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.1 0.0 3.0 - 3 [ 0.0 .. 5.1]
383-> [GLU A 23] PSI 165.0 -145.0 0.0 0.0 0.0 0.6 0.4 1.4 0.0 8.3 0.0 0.6 0.0 0.0 1.1 0.0 0.0 0.0 5.1 0.0 3.3 2.8 - 9 [ 0.0 .. 8.3]
391-> [VAL A 27] PHI -77.0 -49.0 0.0 0.4 0.0 0.0 2.4 0.0 0.0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 2.4]
392-> [VAL A 27] PSI -53.0 -21.0 0.0 1.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.9 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.1]
393-> [ASP A 28] PHI -77.0 -51.0 10.5 0.0 0.0 11.4 0.0 0.0 1.2 0.0 0.0 0.0 13.0 0.0 0.0 0.0 0.0 6.3 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 13.0]
398-> [TRP A 30] PSI -55.0 -33.0 0.0 0.0 0.0 0.0 0.0 0.0 2.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.3]
400-> [ILE A 31] PSI -61.0 -31.0 0.0 0.0 0.0 0.0 0.0 0.0 10.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 10.1]
401-> [LYS A 32] PHI -75.0 -45.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.6 0.0 0.0 0.0 0.0 4.1 0.0 0.5 0.0 0.0 0.0 - 3 [ 0.0 .. 4.1]
402-> [LYS A 32] PSI -61.0 -21.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 5.0]
403-> [ARG A 33] PHI -80.0 -48.0 0.0 0.0 9.9 10.0 0.0 0.0 13.5 0.0 0.7 0.0 0.0 19.9 1.2 9.9 0.5 0.0 0.0 2.0 0.0 0.1 - 10 [ 0.0 .. 19.9]
404-> [ARG A 33] PSI -44.0 -20.0 0.0 0.0 0.0 0.0 0.0 0.0 3.3 4.0 0.0 5.7 0.0 2.0 0.0 0.0 8.3 0.0 8.6 16.7 0.0 0.0 - 7 [ 0.0 .. 16.7]
423-> [LEU A 41] PSI 105.0 -145.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 13.2 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 13.2]
441-> [ARG A 47] PSI -105.0 -135.0 0.0 0.0 0.0 0.0 0.0 0.0 3.8 0.0 0.0 0.0 0.0 0.0 10.0 0.0 12.3 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 12.3]
454-> [SER A 52] PSI -115.0 -125.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.8 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 4.8]
457-> [ASP A 53] PSI -105.0 -145.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 16.2 0.0 0.0 - 1 [ 0.0 .. 16.2]
460-> [ASN A 54] PSI 55.0 -45.0 0.0 0.0 0.0 0.0 0.0 1.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.8]
462-> [PRO A 55] PSI 45.0 15.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 5.2]
466-> [VAL A 56] PSI 115.0 5.0 0.0 0.0 0.0 0.0 0.0 44.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 34.9 0.0 0.0 0.0 - 2 [ 0.0 .. 44.3]
470-> [ILE A 58] PHI -81.0 -53.0 0.0 0.0 23.5 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 0.0 19.4 - 2 [ 0.0 .. 23.5]
472-> [ALA A 59] PHI -77.0 -47.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.7]
473-> [ALA A 59] PSI -57.0 -27.0 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 0.5 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.8]
474-> [GLU A 60] PHI -75.0 -53.0 2.6 0.0 0.0 0.0 0.0 3.0 5.6 0.0 14.8 0.0 0.0 15.0 9.7 0.0 0.0 5.1 3.7 0.0 0.0 0.0 - 8 [ 0.0 .. 15.0]
475-> [GLU A 60] PSI -53.0 -31.0 3.8 0.0 15.2 0.0 0.5 0.0 0.0 0.0 11.5 0.0 9.3 21.3 5.5 0.0 0.0 0.0 0.0 0.0 0.0 0.2 - 8 [ 0.0 .. 21.3]
476-> [LEU A 61] PHI -73.0 -53.0 0.0 0.0 5.1 4.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.6 0.0 0.0 0.0 0.0 2.8 0.0 0.0 0.0 - 4 [ 0.0 .. 5.1]
477-> [LEU A 61] PSI -57.0 -45.0 11.8 10.5 25.0 0.0 5.1 10.1 1.5 0.4 0.0 9.9 9.9 0.8 5.7 5.3 0.0 3.4 0.0 7.1 0.9 1.8 - 16 [ 0.0 .. 25.0]
480-> [LEU A 62] PSI -115.0 -5.0 0.0 0.0 0.0 12.6 0.0 0.0 0.0 0.0 0.0 3.1 0.0 0.0 0.0 0.0 0.0 2.6 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 12.6]
485-> [GLU A 64] PSI -105.0 15.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 13.2 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 13.2]
511-> [VAL A 74] PHI -145.0 -119.0 1.2 0.0 0.0 0.0 0.0 0.0 8.4 0.0 0.0 0.0 0.4 1.4 14.1 0.0 0.0 2.4 0.0 0.0 7.8 0.0 - 7 [ 0.0 .. 14.1]
512-> [VAL A 74] PSI 115.0 -175.0 0.0 0.0 0.0 0.0 0.0 0.0 5.2 0.0 0.0 0.0 0.0 0.0 6.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 6.1]
519-> [ASP A 76] PSI -105.0 -145.0 0.0 0.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10.1 0.0 0.0 10.0 0.0 - 3 [ 0.0 .. 10.1]
524-> [GLU A 78] PHI -77.0 -53.0 0.0 0.0 0.0 22.7 8.0 0.0 0.0 0.0 6.8 0.0 0.0 4.0 5.1 0.0 6.0 12.0 13.2 0.0 0.1 12.3 - 10 [ 0.0 .. 22.7]
525-> [GLU A 78] PSI -53.0 -33.0 0.0 11.8 3.0 26.8 12.6 10.5 12.8 0.0 17.3 3.3 0.0 0.0 0.0 3.1 1.0 21.1 0.0 4.0 0.0 7.0 - 13 [ 0.0 .. 26.8]
526-> [GLN A 79] PHI -75.0 -55.0 12.7 0.0 0.0 0.0 0.0 9.4 14.3 7.7 36.6 0.0 0.0 0.0 0.0 3.4 0.0 0.0 0.0 0.0 2.8 14.8 - 8 [ 0.0 .. 36.6]
527-> [GLN A 79] PSI -51.0 -25.0 22.7 5.4 0.0 0.0 2.7 13.5 0.5 0.5 16.9 0.0 0.0 0.0 0.0 0.0 0.0 0.5 0.0 0.0 2.1 14.4 - 10 [ 0.0 .. 22.7]
529-> [SER A 80] PSI -55.0 -19.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.3 3.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 3.2]
533-> [ALA A 82] PSI -51.0 -29.0 0.0 0.0 0.0 1.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.7]
537-> [GLY A 84] PSI -51.0 -29.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 10.2]
539-> [ASP A 85] PSI -51.0 -31.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 7.1]
555-> [ARG A 91] PSI -105.0 -135.0 0.0 0.0 0.0 0.0 0.0 0.0 7.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 7.0]
557-> [PHE A 92] PHI 155.0 85.0 5.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 18.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 18.7]
560-> [PRO A 93] PSI 115.0 -35.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.7 0.0 0.0 0.0 0.0 7.5 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 7.5]
565-> [THR A 95] PHI -147.0 -77.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 12.7 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 12.7]
566-> [THR A 95] PSI 117.0 149.0 0.0 4.5 4.8 6.1 1.2 3.7 0.0 7.2 0.0 0.0 7.2 0.0 0.0 0.0 25.4 0.0 0.0 0.0 0.0 0.0 - 8 [ 0.0 .. 25.4]
567-> [LEU A 96] PHI -117.0 -93.0 4.3 6.3 12.9 11.0 14.8 0.0 0.0 10.1 0.0 7.4 4.9 12.8 14.2 0.0 1.1 0.0 5.9 0.0 8.6 0.0 - 13 [ 0.0 .. 14.8]
576-> [THR A 99] PSI 125.0 -165.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.5 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 4.5]
580-> [ASP A 100] PSI 15.0 115.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.7 0.0 0.0 - 1 [ 0.0 .. 2.7]
584-> [LYS A 102] PSI 145.0 -125.0 0.0 0.0 17.6 9.8 0.0 0.0 0.0 0.0 0.0 0.0 9.6 0.0 9.7 0.0 2.3 0.0 0.0 0.0 0.0 4.3 - 7 [ 0.0 .. 17.6]
596-> [ALA A 106] PSI 125.0 -155.0 0.0 0.0 0.0 0.0 0.0 9.6 0.0 26.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 26.9]
606-> [HIS A 111] PSI 55.0 -45.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.3 0.0 0.0 0.0 - 2 [ 0.0 .. 2.0]
612-> [TRP A 113] PSI 85.0 25.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 8.9 0.0 0.0 0.0 - 1 [ 0.0 .. 8.9]
614-> [ALA A 114] PHI 155.0 95.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 27.9 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 27.9]
618-> [LEU A 116] PHI -69.0 -49.0 0.0 12.4 5.6 12.1 12.7 14.2 0.0 0.9 0.0 13.3 10.9 9.9 3.5 7.7 0.0 22.6 0.0 10.8 0.0 0.0 - 13 [ 0.0 .. 22.6]
619-> [LEU A 116] PSI -55.0 -33.0 0.0 4.5 3.8 0.0 10.6 24.4 0.0 0.0 0.0 30.7 4.8 14.0 0.0 2.7 0.0 9.0 0.0 17.5 7.0 0.0 - 11 [ 0.0 .. 30.7]
620-> [LEU A 117] PHI -71.0 -51.0 0.0 1.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7.7 - 2 [ 0.0 .. 7.7]
623-> [THR A 118] PSI -51.0 -27.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.9 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.9]
624-> [LEU A 119] PHI -77.0 -49.0 0.0 0.0 0.0 7.5 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 0.0 - 1 [ 0.0 .. 7.5]
625-> [LEU A 119] PSI -49.0 -35.0 0.0 0.0 0.0 25.1 0.0 0.0 2.8 0.0 5.6 0.0 0.0 8.9 5.6 8.0 0.0 5.3 0.0 0.0 0.9 0.0 - 8 [ 0.0 .. 25.1]
626-> [MET A 120] PHI -81.0 -53.0 0.0 0.0 0.0 0.0 0.0 2.7 0.0 0.0 2.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 2.7]
630-> [SER A 122] PHI -75.0 -51.0 8.0 2.3 20.2 0.0 10.3 8.8 0.0 0.0 0.9 20.7 7.1 13.0 4.4 0.0 2.7 5.3 0.0 9.2 10.9 18.0 - 15 [ 0.0 .. 20.7]
631-> [SER A 122] PSI -53.0 -31.0 7.3 2.0 5.0 0.0 10.9 6.0 5.3 3.9 11.1 5.8 6.1 7.0 6.0 4.4 12.9 9.6 4.9 6.1 4.2 1.7 - 19 [ 0.0 .. 12.9]
633-> [ILE A 123] PSI -49.0 -27.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 9.2 0.0 0.0 0.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 9.2]
636-> [VAL A 124] PSI -115.0 35.0 0.0 0.0 81.0 0.0 0.0 0.0 0.0 0.0 7.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 42.8 - 3 [ 0.0 .. 81.0]
639-> [ASP A 125] PSI -95.0 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 0.0 0.0 0.0 0.0 0.0 14.8 - 1 [ 0.0 .. 14.8]
---- 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 : 16 22 20 18 12 31 28 20 16 22 18 26 28 26 22 26 16 16 24 24 21.55
> 10. degrees : 10 8 22 20 18 11 10 6 20 10 6 18 8 2 6 14 3 8 8 16 11.20
Total : 26 32 44 42 38 44 42 32 40 40 30 48 40 28 36 42 25 26 40 44 36.95
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 : 22.7 19.6 81.0 26.8 14.8 44.3 14.3 26.9 36.6 30.7 29.3 21.3 20.5 12.7 25.4 27.9 34.9 17.5 33.5 42.8 81.03
Max PHI Viol : 12.7 19.6 26.0 22.7 14.8 14.2 14.3 17.1 36.6 20.7 29.3 20.6 20.5 12.7 6.0 27.9 13.2 10.8 14.3 19.4 36.61
Max PSI Viol : 22.7 11.8 81.0 26.8 14.2 44.3 12.8 26.9 22.2 30.7 9.9 21.3 11.2 8.0 25.4 21.1 34.9 17.5 33.5 42.8 81.03
Average Violation : 0.3 0.3 1.0 0.6 0.4 0.5 0.4 0.3 0.6 0.5 0.4 0.6 0.4 0.2 0.3 0.5 0.2 0.3 0.4 0.6 0.450
Avge PHI Viol : 0.540 0.484 0.821 0.684 0.560 0.446 0.514 0.447 0.682 0.616 0.582 0.742 0.611 0.441 0.276 0.652 0.398 0.338 0.487 0.674 0.566
Avge PSI Viol : 0.628 0.631 1.217 0.888 0.758 1.020 0.707 0.708 0.933 0.807 0.612 0.867 0.693 0.520 0.779 0.844 0.579 0.775 0.802 0.872 0.798
RMS Violation : 1.995 1.759 5.742 3.030 2.166 2.888 1.793 2.093 3.265 2.748 2.218 2.978 2.112 1.274 1.909 2.845 1.797 1.924 2.440 3.332 2.680
RMS PHI Viol : 1.654 1.749 3.412 2.510 1.928 1.401 1.669 1.537 3.088 2.469 2.504 2.808 2.237 1.321 0.561 2.805 1.140 1.023 1.553 2.567 2.129
RMS PSI Viol : 2.403 1.774 7.987 3.652 2.470 4.190 1.958 2.701 3.506 3.107 1.724 3.208 1.919 1.204 2.908 2.902 2.454 2.746 3.327 4.199 3.319
Final --global-- Summary for 20 models, 660 ACOs/model, 13200 ACOs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ. Viol. : 5938.36
Summ. Sq. Viol. : 94829.59
Max. Viol. : 81.030
Avg. Viol. : 0.44988
RMS Viol. : 2.68031
Std. Dev. Viol. : 2.64229
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 0.295 0.716 0.388 0.184
ALA A 2 0.423 0.383
ASN A 3 0.473 0.523 0.682 0.867
ASP A 4 0.420 0.441 0.696 0.964
THR A 5 0.170 0.842 0.767
PRO A 6 0.985 0.226 0.905 0.850
PHE A 7 0.346 0.135 0.629 0.837
SER A 8 0.376 0.460 0.417
ALA A 9 0.989 0.983 9 9
LEU A 10 0.976 0.989 0.563 0.573 10 10
TRP A 11 0.975 0.992 0.766 0.109 11 11
GLN A 12 0.997 0.990 0.724 0.801 0.960 12 12
ARG A 13 0.993 0.997 0.818 0.930 0.860 0.942 1.000 13 13
LEU A 14 0.991 0.994 0.998 0.998 14 14
LEU A 15 0.984 0.982 0.802 0.800 15 15
THR A 16 0.982 0.977 0.541 16 16
ARG A 17 0.989 0.870 0.716 0.570 0.663 0.718 1.000 17
GLY A 18 0.845 0.582
TRP A 19 0.605 0.984 0.999 0.938
GLN A 20 0.979 0.992 0.552 0.606 0.704 20 20
PRO A 21 0.998 0.995 1.000 1.000 21 21
VAL A 22 0.998 0.997 1.000 22 22
GLU A 23 0.988 0.996 0.922 0.929 0.904 23 23
ALA A 24 0.998 0.996 24 24
SER A 25 0.989 0.990 0.841 25 25
THR A 26 0.957 0.975 0.853 26 26
VAL A 27 0.995 0.993 0.851 27 27
ASP A 28 0.986 0.995 0.609 0.855 28 28
ASP A 29 0.997 0.998 0.902 0.945 29 29
TRP A 30 0.999 0.999 1.000 1.000 30 30
ILE A 31 0.998 0.996 0.945 0.937 31 31
LYS A 32 0.998 0.996 0.850 0.948 0.998 0.996 32 32
ARG A 33 0.989 0.982 0.598 0.739 0.994 0.944 1.000 33 33
VAL A 34 0.977 0.968 0.506 34 34
GLY A 35 0.991 0.988 35 35
ASP A 36 0.992 0.975 0.923 0.968 36 36
GLY A 37 0.985 0.988 37 37
VAL A 38 0.998 0.989 0.852 38 38
ILE A 39 0.993 0.997 1.000 0.999 39 39
LEU A 40 0.990 0.983 0.540 0.656 40 40
LEU A 41 0.985 0.951 0.990 0.929 41 41
SER A 42 0.962 0.351 0.281
SER A 43 0.343 0.257 0.302
ASP A 44 0.348 0.713 0.745 0.975
PRO A 45 0.986 0.287 0.944 0.911
ARG A 46 0.596 0.265 0.257 0.747 0.669 0.872 1.000
ARG A 47 0.612 0.130 0.670 0.613 0.856 0.697 1.000
THR A 48 0.167 0.657 0.576
PRO A 49 0.985 0.200 0.941 0.910
GLU A 50 0.151 0.153 0.866 0.789 0.973
VAL A 51 0.350 0.349 0.619
SER A 52 0.388 0.164 0.107
ASP A 53 0.592 0.237 0.404 0.935
ASN A 54 0.229 0.822 0.718 0.862
PRO A 55 0.974 0.552 0.880 0.821
VAL A 56 0.827 0.263 0.431
MET A 57 0.366 0.906 0.916 0.528 0.274
ILE A 58 0.975 0.985 0.751 0.396 58 58
ALA A 59 0.993 0.991 59 59
GLU A 60 0.992 0.991 0.998 0.834 0.946 60 60
LEU A 61 0.992 0.988 0.591 0.596 61 61
LEU A 62 0.988 0.986 0.911 0.629 62 62
ARG A 63 0.994 0.982 0.936 0.998 0.660 0.979 1.000 63 63
GLU A 64 0.987 0.956 0.796 0.609 0.909 64 64
PHE A 65 0.998 0.994 0.999 0.999 65 65
PRO A 66 0.999 0.799 0.999 1.000
GLN A 67 0.933 0.981 0.605 0.177 0.674 67 67
PHE A 68 0.981 0.888 0.922 0.996 68
ASP A 69 0.904 0.986 0.998 0.996 69 69
TRP A 70 0.988 0.993 0.997 0.455 70 70
GLN A 71 0.987 0.990 0.997 0.999 0.991 71 71
VAL A 72 0.993 0.997 0.926 72 72
ALA A 73 0.975 0.985 73 73
VAL A 74 0.984 0.959 0.422 74 74
ALA A 75 0.876 0.704
ASP A 76 0.688 0.513 0.746 0.849
LEU A 77 0.629 0.976 0.594 0.495
GLU A 78 0.980 0.985 0.709 0.882 0.978 78 78
GLN A 79 0.978 0.974 0.997 0.426 0.936 79 79
SER A 80 0.995 0.983 0.202 80 80
GLU A 81 0.997 0.996 0.607 0.924 0.978 81 81
ALA A 82 0.999 0.996 82 82
ILE A 83 0.999 0.999 1.000 1.000 83 83
GLY A 84 0.997 0.993 84 84
ASP A 85 0.997 0.996 0.847 0.898 85 85
ARG A 86 0.988 0.994 0.817 0.617 0.491 0.330 1.000 86 86
PHE A 87 0.994 0.991 0.999 0.898 87 87
ASN A 88 0.997 0.987 0.794 0.892 88 88
VAL A 89 0.952 0.353 0.513
ARG A 90 0.045 0.259 0.491 0.862 0.610 0.826 1.000
ARG A 91 0.482 0.382 0.726 0.792 0.717 0.715 1.000
PHE A 92 0.525 0.956 0.217 0.832
PRO A 93 0.996 0.884 0.945 0.890 93
ALA A 94 0.905 0.965 94 94
THR A 95 0.978 0.974 0.920 95 95
LEU A 96 0.987 0.995 0.993 0.927 96 96
VAL A 97 0.996 0.997 1.000 97 97
PHE A 98 0.997 0.995 0.996 0.998 98 98
THR A 99 0.986 0.992 0.296 99 99
ASP A 100 0.996 0.993 0.707 0.823 100 100
GLY A 101 0.997 0.995 101 101
LYS A 102 0.991 0.990 0.864 0.868 0.948 0.876 102 102
LEU A 103 0.989 0.995 0.999 1.000 103 103
ARG A 104 0.984 0.986 0.793 0.744 0.493 0.666 1.000 104 104
GLY A 105 0.979 0.975 105 105
ALA A 106 0.900 0.976 106
LEU A 107 0.956 0.717 0.654 0.703
SER A 108 0.641 0.612 0.206
GLY A 109 0.438 0.509
ILE A 110 0.862 0.267 0.524 0.706
HIS A 111 0.558 0.373 0.599 0.575
PRO A 112 0.973 0.363 0.878 0.819
TRP A 113 0.402 0.502 0.260 0.397
ALA A 114 0.491 0.961
GLU A 115 0.981 0.979 0.656 0.365 0.865 115 115
LEU A 116 0.982 0.976 0.620 0.501 116 116
LEU A 117 0.996 0.992 0.621 0.580 117 117
THR A 118 0.995 0.996 0.924 118 118
LEU A 119 0.993 0.983 0.639 0.650 119 119
MET A 120 0.993 0.991 0.693 0.458 0.200 120 120
ARG A 121 0.986 0.988 0.760 0.998 0.803 0.991 1.000 121 121
SER A 122 0.987 0.997 0.838 122 122
ILE A 123 0.997 0.992 0.999 1.000 123 123
VAL A 124 0.966 0.848 0.853 124
ASP A 125 0.944 0.933 0.218 0.824 125 125
THR A 126 0.264 0.921 0.695
PRO A 127 0.995 0.219 0.980 0.968
ALA A 128 0.460 0.142
ALA A 129 0.569 0.258
GLN A 130 0.440 0.441 0.508 0.398 0.789
GLU A 131 0.332 0.589 0.499 0.744 0.900
THR A 132 0.556 0.278 0.452
VAL A 133 0.712 0.593 0.715
GLN A 134 0.422 0.602 0.686 0.463 0.862
LEU A 135 0.708 0.589 0.619 0.641
GLU A 136 0.673 0.579 0.632 0.674 0.933
HIS A 137 0.621 0.471 0.476 0.706
HIS A 138 0.541 0.531 0.504 0.662
HIS A 139 0.623 0.578 0.408 0.459
HIS A 140 0.708 0.591 0.324 0.506
HIS A 141 0.836 0.317 0.559 0.406
HIS A 142 0.938 0.694 0.566
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 `STR70_R3_em_bcr3.pdb'
>
> Kabsch RMSD of backbone atoms in res. A[9..16],A[20..41],A[58..65],A[69..74],A[78..88],A[94..105],A[115..123],for model 1 is: 0.636 (*)
> Kabsch RMSD of backbone atoms in res. A[9..16],A[20..41],A[58..65],A[69..74],A[78..88],A[94..105],A[115..123],for model 2 is: 0.765
> Kabsch RMSD of backbone atoms in res. A[9..16],A[20..41],A[58..65],A[69..74],A[78..88],A[94..105],A[115..123],for model 3 is: 1.160
> Kabsch RMSD of backbone atoms in res. A[9..16],A[20..41],A[58..65],A[69..74],A[78..88],A[94..105],A[115..123],for model 4 is: 1.293
> Kabsch RMSD of backbone atoms in res. A[9..16],A[20..41],A[58..65],A[69..74],A[78..88],A[94..105],A[115..123],for model 5 is: 0.748
> Kabsch RMSD of backbone atoms in res. A[9..16],A[20..41],A[58..65],A[69..74],A[78..88],A[94..105],A[115..123],for model 6 is: 0.794
> Kabsch RMSD of backbone atoms in res. A[9..16],A[20..41],A[58..65],A[69..74],A[78..88],A[94..105],A[115..123],for model 7 is: 0.695
> Kabsch RMSD of backbone atoms in res. A[9..16],A[20..41],A[58..65],A[69..74],A[78..88],A[94..105],A[115..123],for model 8 is: 0.782
> Kabsch RMSD of backbone atoms in res. A[9..16],A[20..41],A[58..65],A[69..74],A[78..88],A[94..105],A[115..123],for model 9 is: 1.242
> Kabsch RMSD of backbone atoms in res. A[9..16],A[20..41],A[58..65],A[69..74],A[78..88],A[94..105],A[115..123],for model 10 is: 1.126
> Kabsch RMSD of backbone atoms in res. A[9..16],A[20..41],A[58..65],A[69..74],A[78..88],A[94..105],A[115..123],for model 11 is: 0.718
> Kabsch RMSD of backbone atoms in res. A[9..16],A[20..41],A[58..65],A[69..74],A[78..88],A[94..105],A[115..123],for model 12 is: 1.130
> Kabsch RMSD of backbone atoms in res. A[9..16],A[20..41],A[58..65],A[69..74],A[78..88],A[94..105],A[115..123],for model 13 is: 0.912
> Kabsch RMSD of backbone atoms in res. A[9..16],A[20..41],A[58..65],A[69..74],A[78..88],A[94..105],A[115..123],for model 14 is: 0.998
> Kabsch RMSD of backbone atoms in res. A[9..16],A[20..41],A[58..65],A[69..74],A[78..88],A[94..105],A[115..123],for model 15 is: 0.909
> Kabsch RMSD of backbone atoms in res. A[9..16],A[20..41],A[58..65],A[69..74],A[78..88],A[94..105],A[115..123],for model 16 is: 0.828
> Kabsch RMSD of backbone atoms in res. A[9..16],A[20..41],A[58..65],A[69..74],A[78..88],A[94..105],A[115..123],for model 17 is: 0.705
> Kabsch RMSD of backbone atoms in res. A[9..16],A[20..41],A[58..65],A[69..74],A[78..88],A[94..105],A[115..123],for model 18 is: 1.204
> Kabsch RMSD of backbone atoms in res. A[9..16],A[20..41],A[58..65],A[69..74],A[78..88],A[94..105],A[115..123],for model 19 is: 0.663
> Kabsch RMSD of backbone atoms in res. A[9..16],A[20..41],A[58..65],A[69..74],A[78..88],A[94..105],A[115..123],for model 20 is: 0.844
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[9..16],[20..41],[58..65],[69..74],[78..88],[94..105],[115..123], is: 0.908
> Range of RMSD values to reference struct. is 0.636 to 1.293
> Kabsch RMSD of heavy atoms in res. A[9..16],A[20..41],A[58..65],A[69..74],A[78..88],A[94..105],A[115..123],for model 1 is: 1.168
> Kabsch RMSD of heavy atoms in res. A[9..16],A[20..41],A[58..65],A[69..74],A[78..88],A[94..105],A[115..123],for model 2 is: 1.123
> Kabsch RMSD of heavy atoms in res. A[9..16],A[20..41],A[58..65],A[69..74],A[78..88],A[94..105],A[115..123],for model 3 is: 1.787
> Kabsch RMSD of heavy atoms in res. A[9..16],A[20..41],A[58..65],A[69..74],A[78..88],A[94..105],A[115..123],for model 4 is: 1.735
> Kabsch RMSD of heavy atoms in res. A[9..16],A[20..41],A[58..65],A[69..74],A[78..88],A[94..105],A[115..123],for model 5 is: 1.313
> Kabsch RMSD of heavy atoms in res. A[9..16],A[20..41],A[58..65],A[69..74],A[78..88],A[94..105],A[115..123],for model 6 is: 1.197
> Kabsch RMSD of heavy atoms in res. A[9..16],A[20..41],A[58..65],A[69..74],A[78..88],A[94..105],A[115..123],for model 7 is: 1.069
> Kabsch RMSD of heavy atoms in res. A[9..16],A[20..41],A[58..65],A[69..74],A[78..88],A[94..105],A[115..123],for model 8 is: 1.213
> Kabsch RMSD of heavy atoms in res. A[9..16],A[20..41],A[58..65],A[69..74],A[78..88],A[94..105],A[115..123],for model 9 is: 1.610
> Kabsch RMSD of heavy atoms in res. A[9..16],A[20..41],A[58..65],A[69..74],A[78..88],A[94..105],A[115..123],for model 10 is: 1.469
> Kabsch RMSD of heavy atoms in res. A[9..16],A[20..41],A[58..65],A[69..74],A[78..88],A[94..105],A[115..123],for model 11 is: 1.267
> Kabsch RMSD of heavy atoms in res. A[9..16],A[20..41],A[58..65],A[69..74],A[78..88],A[94..105],A[115..123],for model 12 is: 1.596
> Kabsch RMSD of heavy atoms in res. A[9..16],A[20..41],A[58..65],A[69..74],A[78..88],A[94..105],A[115..123],for model 13 is: 1.300
> Kabsch RMSD of heavy atoms in res. A[9..16],A[20..41],A[58..65],A[69..74],A[78..88],A[94..105],A[115..123],for model 14 is: 1.400
> Kabsch RMSD of heavy atoms in res. A[9..16],A[20..41],A[58..65],A[69..74],A[78..88],A[94..105],A[115..123],for model 15 is: 1.273
> Kabsch RMSD of heavy atoms in res. A[9..16],A[20..41],A[58..65],A[69..74],A[78..88],A[94..105],A[115..123],for model 16 is: 1.254
> Kabsch RMSD of heavy atoms in res. A[9..16],A[20..41],A[58..65],A[69..74],A[78..88],A[94..105],A[115..123],for model 17 is: 1.026 (*)
> Kabsch RMSD of heavy atoms in res. A[9..16],A[20..41],A[58..65],A[69..74],A[78..88],A[94..105],A[115..123],for model 18 is: 1.644
> Kabsch RMSD of heavy atoms in res. A[9..16],A[20..41],A[58..65],A[69..74],A[78..88],A[94..105],A[115..123],for model 19 is: 1.158
> Kabsch RMSD of heavy atoms in res. A[9..16],A[20..41],A[58..65],A[69..74],A[78..88],A[94..105],A[115..123],for model 20 is: 1.188
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[9..16],[20..41],[58..65],[69..74],[78..88],[94..105],[115..123], is: 1.339
> Range of RMSD values to reference struct. is 1.026 to 1.787
Text report of backbone RMSD for entire protein
> Kabsch RMSD of backb atoms in res. *[1..142],for model 1 is: 5.746
> Kabsch RMSD of backb atoms in res. *[1..142],for model 2 is: 5.915
> Kabsch RMSD of backb atoms in res. *[1..142],for model 3 is: 3.898 (*)
> Kabsch RMSD of backb atoms in res. *[1..142],for model 4 is: 5.258
> Kabsch RMSD of backb atoms in res. *[1..142],for model 5 is: 4.544
> Kabsch RMSD of backb atoms in res. *[1..142],for model 6 is: 5.736
> Kabsch RMSD of backb atoms in res. *[1..142],for model 7 is: 4.956
> Kabsch RMSD of backb atoms in res. *[1..142],for model 8 is: 5.171
> Kabsch RMSD of backb atoms in res. *[1..142],for model 9 is: 5.086
> Kabsch RMSD of backb atoms in res. *[1..142],for model 10 is: 6.269
> Kabsch RMSD of backb atoms in res. *[1..142],for model 11 is: 3.938
> Kabsch RMSD of backb atoms in res. *[1..142],for model 12 is: 6.667
> Kabsch RMSD of backb atoms in res. *[1..142],for model 13 is: 6.631
> Kabsch RMSD of backb atoms in res. *[1..142],for model 14 is: 5.785
> Kabsch RMSD of backb atoms in res. *[1..142],for model 15 is: 4.587
> Kabsch RMSD of backb atoms in res. *[1..142],for model 16 is: 5.256
> Kabsch RMSD of backb atoms in res. *[1..142],for model 17 is: 6.736
> Kabsch RMSD of backb atoms in res. *[1..142],for model 18 is: 6.198
> Kabsch RMSD of backb atoms in res. *[1..142],for model 19 is: 4.396
> Kabsch RMSD of backb atoms in res. *[1..142],for model 20 is: 5.084
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..142], is: 5.393
> Range of RMSD values to reference struct. is 3.898 to 6.736
Text report of heavy atom RMSD for entire protein
> Kabsch RMSD of heavy atoms in res. *[1..142],for model 1 is: 6.176
> Kabsch RMSD of heavy atoms in res. *[1..142],for model 2 is: 6.809
> Kabsch RMSD of heavy atoms in res. *[1..142],for model 3 is: 4.497 (*)
> Kabsch RMSD of heavy atoms in res. *[1..142],for model 4 is: 5.845
> Kabsch RMSD of heavy atoms in res. *[1..142],for model 5 is: 5.141
> Kabsch RMSD of heavy atoms in res. *[1..142],for model 6 is: 6.466
> Kabsch RMSD of heavy atoms in res. *[1..142],for model 7 is: 5.690
> Kabsch RMSD of heavy atoms in res. *[1..142],for model 8 is: 5.892
> Kabsch RMSD of heavy atoms in res. *[1..142],for model 9 is: 5.645
> Kabsch RMSD of heavy atoms in res. *[1..142],for model 10 is: 7.066
> Kabsch RMSD of heavy atoms in res. *[1..142],for model 11 is: 4.666
> Kabsch RMSD of heavy atoms in res. *[1..142],for model 12 is: 7.326
> Kabsch RMSD of heavy atoms in res. *[1..142],for model 13 is: 7.341
> Kabsch RMSD of heavy atoms in res. *[1..142],for model 14 is: 6.379
> Kabsch RMSD of heavy atoms in res. *[1..142],for model 15 is: 5.095
> Kabsch RMSD of heavy atoms in res. *[1..142],for model 16 is: 5.918
> Kabsch RMSD of heavy atoms in res. *[1..142],for model 17 is: 7.564
> Kabsch RMSD of heavy atoms in res. *[1..142],for model 18 is: 6.881
> Kabsch RMSD of heavy atoms in res. *[1..142],for model 19 is: 5.044
> Kabsch RMSD of heavy atoms in res. *[1..142],for model 20 is: 5.656
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..142], is: 6.055
> Range of RMSD values to reference struct. is 4.497 to 7.564
Summary of heavy atom and backbone RMSDs over the whole protein and ordered residues
RMSD Values
all residues ordered residues selected residues
All backbone atoms 5.4 1.0 1.0
All heavy atoms 6.1 1.4 1.4
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 >>>----------+
| |
| STR70_R3_em_bcr3_020.rin 0.0 1680 residues |
| |
+| Ramachandran plot: 93.8% core 6.1% allow 0.1% gener 0.0% disall |
| |
+| All Ramachandrans: 6 labelled residues (out of1680) |
| Chi1-chi2 plots: 0 labelled residues (out of1060) |
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
9 0.44
10 0.51
11 0.47
12 0.93
13 0.64
14 0.51
15 0.20
16 0.44
17 0.02
20 -0.37
21 -0.41
22 -0.18
23 -1.17
24 0.59
25 -0.05
26 -0.43
27 -0.04
28 0.74
29 1.10
30 0.99
31 0.86
32 0.59
33 -0.15
34 -1.22
35 -2.13
36 -0.95
37 -0.51
38 0.00
39 0.04
40 -0.38
41 -0.72
58 0.13
59 0.66
60 0.34
61 0.65
62 -0.17
63 -0.10
64 -0.37
65 -1.24
66 -1.42
67 -0.52
68 -0.41
69 -0.61
70 -0.29
71 -0.87
72 0.40
73 -1.01
74 0.11
78 0.18
79 0.33
80 0.87
81 0.69
82 0.84
83 0.94
84 0.99
85 1.05
86 0.75
87 -0.70
88 0.04
93 -0.38
94 -1.01
95 -0.05
96 -0.17
97 0.23
98 0.06
99 -0.32
100 -0.67
101 0.92
102 -0.30
103 -0.69
104 -0.48
105 -0.58
106 -0.76
115 0.31
116 0.21
117 0.77
118 1.00
119 0.71
120 0.68
121 0.64
122 0.19
123 0.35
124 -1.93
125 0.09
#Reported_Model_Average 0.005
#Overall_Average_Reported 0.005
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
9 0.44
10 0.58
11 0.35
12 0.94
13 0.76
14 0.70
15 0.52
16 0.34
17 0.25
20 -0.08
21 -0.41
22 -0.18
23 -0.11
24 0.59
25 0.35
26 0.04
27 -0.49
28 0.68
29 1.03
30 0.98
31 0.83
32 0.81
33 0.27
34 -0.45
35 -2.13
36 -0.37
37 -0.51
38 -0.06
39 0.37
40 0.03
41 -0.02
58 0.22
59 0.66
60 0.44
61 0.59
62 0.15
63 0.39
64 0.02
65 -0.21
66 -1.42
67 -0.05
68 0.11
69 -0.15
70 0.05
71 -0.19
72 0.40
73 -1.01
74 0.09
78 0.60
79 0.37
80 0.59
81 0.86
82 0.84
83 0.92
84 0.99
85 0.95
86 0.63
87 0.02
88 0.16
93 -0.38
94 -1.01
95 0.26
96 0.26
97 0.40
98 0.25
99 -0.23
100 -0.26
101 0.92
102 0.39
103 -0.08
104 -0.19
105 -0.58
106 -0.76
115 0.50
116 0.24
117 0.70
118 0.77
119 0.75
120 0.64
121 0.73
122 0.33
123 0.60
124 -1.05
125 0.20
#Reported_Model_Average 0.196
#Overall_Average_Reported 0.196
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
9 -0.02 -0.02 0.44 0.44 -0.02 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
10 -0.30 0.71 -0.46 0.16 -0.46 0.16 -0.30 0.71 -0.46 0.16 -0.30 -0.46 0.71 -0.46 -0.30 0.71 -0.46 0.71 -0.46 -0.46
11 1.01 0.86 0.86 1.01 0.86 1.01 1.01 1.01 0.86 1.01 0.86 1.01 1.01 0.86 0.86 1.01 1.11 1.01 0.86 1.01
12 0.62 0.62 -0.32 0.62 0.62 0.62 0.29 0.62 0.62 -0.32 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 -0.32 0.62
13 -0.20 0.56 0.56 -0.20 0.56 -0.20 0.56 0.56 0.56 0.56 0.56 -0.20 0.56 -0.20 -0.20 0.56 0.56 -0.20 -0.20 0.56
14 1.30 1.30 0.71 1.30 1.30 1.30 1.30 1.30 0.71 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30
15 0.71 -0.30 -0.30 0.71 -0.30 -0.46 0.71 0.16 0.71 -0.46 0.71 0.71 0.71 1.30 -0.46 0.71 -0.46 -0.30 -0.30 -0.30
16 -0.20 -0.20 -0.13 -0.13 -0.20 -0.20 -0.20 -0.20 -0.13 -0.13 -0.20 -0.13 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.13 -0.20
17 1.10 1.10 1.10 0.56 0.56 1.10 0.56 -0.11 0.56 1.10 -0.20 -0.20 -0.20 0.56 0.56 1.10 1.10 -0.51 1.10 1.10
20 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
21 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -0.65 -1.01 -1.01 -1.01 -1.01 -0.65 -0.65 -0.65 -1.01 -1.01 -1.01 -0.65 -1.01 -1.01
22 1.18 0.71 0.71 0.71 0.71 1.18 1.18 0.71 0.71 0.71 0.71 0.71 1.18 0.71 1.18 0.71 0.71 1.18 0.71 0.71
23 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 -0.46 0.28 -0.46
24 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 0.14 0.49 0.49
25 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 0.59 0.34 0.59
26 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
27 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74
28 -0.28 0.29 0.29 -0.28 0.29 0.29 -0.28 0.29 0.29 0.29 -0.28 0.29 0.29 0.29 0.29 -0.28 0.29 0.29 0.29 0.29
29 0.44 0.44 0.44 0.29 0.44 0.44 0.29 0.44 0.29 0.44 -0.28 0.44 0.29 0.44 0.44 0.29 0.44 0.29 0.29 0.29
30 1.01 1.01 1.11 1.01 1.11 1.01 1.01 1.01 1.11 1.01 1.01 1.01 1.11 1.01 1.11 1.11 1.11 1.01 1.01 1.01
31 1.11 1.11 1.11 1.11 1.11 1.11 0.55 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11
32 0.07 0.07 0.07 0.56 0.07 0.07 0.66 0.07 0.66 0.07 0.66 0.66 0.56 0.66 0.07 0.07 0.66 0.66 0.56 0.07
33 -0.20 0.56 -0.20 1.10 -0.20 -0.20 -0.20 -0.20 0.56 -0.20 1.10 -0.20 0.56 -0.20 -0.20 0.56 -0.20 -0.20 0.56 -0.20
34 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.74 0.30 0.30 0.30 0.30 0.30 0.30 0.30 -0.62 0.30 -0.62 0.30
35 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
36 0.34 0.51 0.34 0.51 0.34 -1.97 0.51 0.34 0.34 0.34 0.34 -0.83 0.51 0.34 0.34 0.34 0.34 0.34 0.34 0.34
37 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
38 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
39 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
40 0.36 1.07 0.36 0.36 1.07 0.36 0.36 1.07 1.07 0.36 0.36 1.07 1.07 1.07 1.07 1.07 0.36 0.36 0.36 1.07
41 0.77 0.77 0.77 0.77 1.06 0.77 0.77 0.77 0.77 0.77 1.06 1.06 0.77 0.77 0.77 0.77 0.77 0.29 0.77 0.29
58 1.11 1.11 1.11 1.11 0.55 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 0.55 1.11 0.55 1.11 1.11 1.11 1.11
59 -0.02 0.76 0.76 -0.02 0.76 -0.02 0.76 0.44 0.44 0.44 -0.02 -0.02 0.44 0.76 -0.02 -0.02 -0.02 -0.02 -0.02 0.44
60 0.62 0.09 0.09 -0.43 0.62 -0.43 0.62 -0.43 -0.43 0.09 -0.43 -0.43 0.62 -0.43 0.62 0.62 -0.43 -0.43 0.62 0.62
61 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30
62 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 0.71 1.30 1.30 0.16 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30
63 -0.41 0.24 0.24 0.24 0.24 0.24 0.24 0.24 -0.41 0.71 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24
64 0.28 -0.59 0.28 0.28 0.28 0.28 0.28 0.28 -0.46 -0.46 0.28 -0.59 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
65 1.04 1.04 1.40 1.40 1.40 0.71 1.04 1.40 1.04 1.04 0.71 1.04 1.40 1.04 1.04 1.40 1.04 1.04 1.04 1.04
66 0.25 0.44 0.44 0.44 0.25 0.44 0.25 0.25 -0.11 0.44 0.44 -0.11 0.25 0.25 0.44 0.25 0.44 0.44 0.44 0.25
67 0.25 -0.57 0.25 -0.03 0.25 0.25 -0.57 0.25 -0.57 0.10 0.25 -0.87 -0.03 -0.03 0.25 0.25 0.25 0.25 0.25 0.25
68 -0.84 0.71 0.71 -0.84 0.71 0.71 0.71 0.71 0.71 1.04 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 1.40
69 0.23 0.23 0.23 0.23 0.23 0.51 0.23 0.23 0.51 0.23 0.23 0.51 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.51
70 1.62 1.62 0.96 0.96 0.96 1.62 1.62 1.62 0.96 1.62 1.62 0.96 0.96 1.62 1.62 1.62 1.62 1.62 1.62 0.96
71 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 -0.79 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.52
72 1.18 1.18 1.18 1.18 0.44 0.44 1.18 1.18 1.18 1.18 0.44 0.71 1.18 1.18 1.18 0.44 1.18 1.18 1.18 1.18
73 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
74 0.71 0.71 0.71 1.18 1.18 0.71 1.18 1.18 0.71 1.18 1.18 1.18 1.18 1.18 1.18 0.71 1.18 1.18 0.71 1.18
78 0.04 0.04 0.28 0.04 0.04 0.28 0.28 0.28 0.04 0.28 0.28 0.04 0.04 0.04 0.04 0.28 0.28 0.04 0.28 0.28
79 0.25 0.25 0.10 0.10 0.25 0.10 0.25 0.10 0.25 0.25 -0.57 0.25 -0.57 0.10 0.25 0.25 0.10 0.10 0.25 -0.87
80 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
81 0.60 0.62 0.62 0.62 0.60 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.60 0.62 0.62 0.62 0.62 0.62 0.62 0.60
82 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.76 0.44 0.44 0.44
83 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11
84 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63
85 0.44 0.29 0.29 0.29 0.29 0.29 0.29 0.44 0.29 0.29 0.44 0.29 0.44 0.29 0.29 0.29 0.44 0.29 0.29 0.44
86 0.56 0.56 0.56 0.56 0.56 0.56 1.10 0.56 0.56 0.56 0.56 0.56 0.56 1.10 1.10 0.56 1.10 1.10 0.56 0.56
87 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40
88 0.41 0.41 0.41 0.41 0.51 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 0.41 0.41
93 0.44 0.64 0.64 0.64 0.64 0.64 0.64 0.64 -0.11 0.44 0.64 0.44 0.44 0.44 0.64 0.64 0.64 0.44 0.44 -0.11
94 0.59 0.59 0.59 0.59 0.59 -0.52 0.59 0.59 -0.52 0.59 0.59 0.59 0.59 -0.52 0.59 0.59 -0.52 0.59 -0.52 0.59
95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95
96 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
97 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 0.71 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18
98 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96
99 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.79
100 0.51 0.34 0.34 0.51 0.34 0.51 0.23 0.34 0.23 0.23 0.51 0.51 0.51 0.23 0.51 0.23 0.51 0.51 0.34 0.51
101 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
102 0.55 -1.54 0.55 0.55 0.55 -1.54 0.35 0.55 -1.54 -1.54 0.55 -1.54 0.55 0.55 0.35 -1.54 0.55 0.55 0.55 -1.54
103 0.36 0.36 0.36 1.07 0.36 0.36 0.36 0.14 -0.81 0.14 0.36 0.36 0.36 1.07 0.36 0.36 0.36 0.36 0.36 0.36
104 -0.41 0.84 0.84 0.84 0.84 0.19 -0.41 0.84 0.19 0.84 -0.41 0.84 0.84 0.84 0.84 0.84 0.84 -0.41 0.84 0.84
105 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
106 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
115 0.62 0.62 0.62 0.60 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.60 0.62 0.62 0.62 -0.43 0.62 0.62 -0.43 0.62
116 0.71 0.71 0.71 0.71 0.71 1.30 0.71 1.30 0.71 1.30 0.71 0.16 0.71 0.71 0.71 0.71 1.30 0.71 0.16 0.16
117 -0.30 0.71 0.71 -0.46 -0.30 0.71 -0.30 -0.30 0.71 -0.30 0.71 -0.30 1.30 -0.30 -0.30 -0.30 0.16 0.71 -0.30 -0.30
118 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.13 -0.20 -0.20 -0.20 -0.20 -0.13 -0.20 -0.20 -0.20 -0.20 -0.20 -0.13
119 0.71 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.30 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.30 -0.46 -0.46 -0.46 -0.46
120 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26
121 0.56 0.56 0.56 0.56 0.56 0.56 0.56 -0.20 0.56 -0.20 0.56 0.56 -0.20 0.56 0.56 0.56 0.56 0.56 0.56 0.56
122 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 -0.38 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16
123 0.55 0.55 -0.02 0.55 1.11 0.55 -0.02 0.55 -0.02 0.55 1.11 1.11 0.55 1.11 0.55 0.55 -0.02 0.55 0.55 0.55
124 0.41 0.74 0.74 0.41 0.30 0.41 0.74 0.74 0.74 0.74 0.74 0.30 0.74 0.41 0.74 0.74 0.74 0.74 0.74 0.74
125 0.51 0.23 0.51 0.23 0.51 0.23 0.51 0.23 0.23 0.23 0.23 0.51 0.23 0.51 0.51 0.51 0.23 0.23 0.23 0.51
#Reported_Model_Average 0.558 0.585 0.580 0.579 0.588 0.514 0.586 0.601 0.492 0.557 0.577 0.487 0.637 0.604 0.603 0.581 0.586 0.569 0.538 0.557
#Overall_Average_Reported 0.569
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
9 -0.02 -0.02 0.44 0.44 -0.02 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
10 -0.30 0.71 -0.46 0.16 -0.46 0.16 -0.30 0.71 -0.46 0.16 -0.30 -0.46 0.71 -0.46 -0.30 0.71 -0.46 0.71 -0.46 -0.46
11 1.01 0.86 0.86 1.01 0.86 1.01 1.01 1.01 0.86 1.01 0.86 1.01 1.01 0.86 0.86 1.01 1.11 1.01 0.86 1.01
12 0.62 0.62 -0.32 0.62 0.62 0.62 0.29 0.62 0.62 -0.32 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 -0.32 0.62
13 -0.20 0.56 0.56 -0.20 0.56 -0.20 0.56 0.56 0.56 0.56 0.56 -0.20 0.56 -0.20 -0.20 0.56 0.56 -0.20 -0.20 0.56
14 1.30 1.30 0.71 1.30 1.30 1.30 1.30 1.30 0.71 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30
15 0.71 -0.30 -0.30 0.71 -0.30 -0.46 0.71 0.16 0.71 -0.46 0.71 0.71 0.71 1.30 -0.46 0.71 -0.46 -0.30 -0.30 -0.30
16 -0.20 -0.20 -0.13 -0.13 -0.20 -0.20 -0.20 -0.20 -0.13 -0.13 -0.20 -0.13 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.13 -0.20
17 1.10 1.10 1.10 0.56 0.56 1.10 0.56 -0.11 0.56 1.10 -0.20 -0.20 -0.20 0.56 0.56 1.10 1.10 -0.51 1.10 1.10
20 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
21 -1.01 -1.01 -1.01 -1.01 -1.01 -1.01 -0.65 -1.01 -1.01 -1.01 -1.01 -0.65 -0.65 -0.65 -1.01 -1.01 -1.01 -0.65 -1.01 -1.01
22 1.18 0.71 0.71 0.71 0.71 1.18 1.18 0.71 0.71 0.71 0.71 0.71 1.18 0.71 1.18 0.71 0.71 1.18 0.71 0.71
23 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 -0.46 0.28 -0.46
24 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 0.14 0.49 0.49
25 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 0.59 0.34 0.59
26 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
27 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74
28 -0.28 0.29 0.29 -0.28 0.29 0.29 -0.28 0.29 0.29 0.29 -0.28 0.29 0.29 0.29 0.29 -0.28 0.29 0.29 0.29 0.29
29 0.44 0.44 0.44 0.29 0.44 0.44 0.29 0.44 0.29 0.44 -0.28 0.44 0.29 0.44 0.44 0.29 0.44 0.29 0.29 0.29
30 1.01 1.01 1.11 1.01 1.11 1.01 1.01 1.01 1.11 1.01 1.01 1.01 1.11 1.01 1.11 1.11 1.11 1.01 1.01 1.01
31 1.11 1.11 1.11 1.11 1.11 1.11 0.55 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11
32 0.07 0.07 0.07 0.56 0.07 0.07 0.66 0.07 0.66 0.07 0.66 0.66 0.56 0.66 0.07 0.07 0.66 0.66 0.56 0.07
33 -0.20 0.56 -0.20 1.10 -0.20 -0.20 -0.20 -0.20 0.56 -0.20 1.10 -0.20 0.56 -0.20 -0.20 0.56 -0.20 -0.20 0.56 -0.20
34 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.74 0.30 0.30 0.30 0.30 0.30 0.30 0.30 -0.62 0.30 -0.62 0.30
35 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
36 0.34 0.51 0.34 0.51 0.34 -1.97 0.51 0.34 0.34 0.34 0.34 -0.83 0.51 0.34 0.34 0.34 0.34 0.34 0.34 0.34
37 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
38 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
39 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
40 0.36 1.07 0.36 0.36 1.07 0.36 0.36 1.07 1.07 0.36 0.36 1.07 1.07 1.07 1.07 1.07 0.36 0.36 0.36 1.07
41 0.77 0.77 0.77 0.77 1.06 0.77 0.77 0.77 0.77 0.77 1.06 1.06 0.77 0.77 0.77 0.77 0.77 0.29 0.77 0.29
58 1.11 1.11 1.11 1.11 0.55 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 0.55 1.11 0.55 1.11 1.11 1.11 1.11
59 -0.02 0.76 0.76 -0.02 0.76 -0.02 0.76 0.44 0.44 0.44 -0.02 -0.02 0.44 0.76 -0.02 -0.02 -0.02 -0.02 -0.02 0.44
60 0.62 0.09 0.09 -0.43 0.62 -0.43 0.62 -0.43 -0.43 0.09 -0.43 -0.43 0.62 -0.43 0.62 0.62 -0.43 -0.43 0.62 0.62
61 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30
62 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 0.71 1.30 1.30 0.16 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30
63 -0.41 0.24 0.24 0.24 0.24 0.24 0.24 0.24 -0.41 0.71 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24
64 0.28 -0.59 0.28 0.28 0.28 0.28 0.28 0.28 -0.46 -0.46 0.28 -0.59 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
65 1.04 1.04 1.40 1.40 1.40 0.71 1.04 1.40 1.04 1.04 0.71 1.04 1.40 1.04 1.04 1.40 1.04 1.04 1.04 1.04
66 0.25 0.44 0.44 0.44 0.25 0.44 0.25 0.25 -0.11 0.44 0.44 -0.11 0.25 0.25 0.44 0.25 0.44 0.44 0.44 0.25
67 0.25 -0.57 0.25 -0.03 0.25 0.25 -0.57 0.25 -0.57 0.10 0.25 -0.87 -0.03 -0.03 0.25 0.25 0.25 0.25 0.25 0.25
68 -0.84 0.71 0.71 -0.84 0.71 0.71 0.71 0.71 0.71 1.04 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 1.40
69 0.23 0.23 0.23 0.23 0.23 0.51 0.23 0.23 0.51 0.23 0.23 0.51 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.51
70 1.62 1.62 0.96 0.96 0.96 1.62 1.62 1.62 0.96 1.62 1.62 0.96 0.96 1.62 1.62 1.62 1.62 1.62 1.62 0.96
71 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 -0.79 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.52
72 1.18 1.18 1.18 1.18 0.44 0.44 1.18 1.18 1.18 1.18 0.44 0.71 1.18 1.18 1.18 0.44 1.18 1.18 1.18 1.18
73 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
74 0.71 0.71 0.71 1.18 1.18 0.71 1.18 1.18 0.71 1.18 1.18 1.18 1.18 1.18 1.18 0.71 1.18 1.18 0.71 1.18
78 0.04 0.04 0.28 0.04 0.04 0.28 0.28 0.28 0.04 0.28 0.28 0.04 0.04 0.04 0.04 0.28 0.28 0.04 0.28 0.28
79 0.25 0.25 0.10 0.10 0.25 0.10 0.25 0.10 0.25 0.25 -0.57 0.25 -0.57 0.10 0.25 0.25 0.10 0.10 0.25 -0.87
80 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
81 0.60 0.62 0.62 0.62 0.60 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.60 0.62 0.62 0.62 0.62 0.62 0.62 0.60
82 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.76 0.44 0.44 0.44
83 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11
84 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63
85 0.44 0.29 0.29 0.29 0.29 0.29 0.29 0.44 0.29 0.29 0.44 0.29 0.44 0.29 0.29 0.29 0.44 0.29 0.29 0.44
86 0.56 0.56 0.56 0.56 0.56 0.56 1.10 0.56 0.56 0.56 0.56 0.56 0.56 1.10 1.10 0.56 1.10 1.10 0.56 0.56
87 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40
88 0.41 0.41 0.41 0.41 0.51 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 0.41 0.41
93 0.44 0.64 0.64 0.64 0.64 0.64 0.64 0.64 -0.11 0.44 0.64 0.44 0.44 0.44 0.64 0.64 0.64 0.44 0.44 -0.11
94 0.59 0.59 0.59 0.59 0.59 -0.52 0.59 0.59 -0.52 0.59 0.59 0.59 0.59 -0.52 0.59 0.59 -0.52 0.59 -0.52 0.59
95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95
96 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
97 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 0.71 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18
98 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96
99 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.79
100 0.51 0.34 0.34 0.51 0.34 0.51 0.23 0.34 0.23 0.23 0.51 0.51 0.51 0.23 0.51 0.23 0.51 0.51 0.34 0.51
101 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
102 0.55 -1.54 0.55 0.55 0.55 -1.54 0.35 0.55 -1.54 -1.54 0.55 -1.54 0.55 0.55 0.35 -1.54 0.55 0.55 0.55 -1.54
103 0.36 0.36 0.36 1.07 0.36 0.36 0.36 0.14 -0.81 0.14 0.36 0.36 0.36 1.07 0.36 0.36 0.36 0.36 0.36 0.36
104 -0.41 0.84 0.84 0.84 0.84 0.19 -0.41 0.84 0.19 0.84 -0.41 0.84 0.84 0.84 0.84 0.84 0.84 -0.41 0.84 0.84
105 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
106 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
115 0.62 0.62 0.62 0.60 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.60 0.62 0.62 0.62 -0.43 0.62 0.62 -0.43 0.62
116 0.71 0.71 0.71 0.71 0.71 1.30 0.71 1.30 0.71 1.30 0.71 0.16 0.71 0.71 0.71 0.71 1.30 0.71 0.16 0.16
117 -0.30 0.71 0.71 -0.46 -0.30 0.71 -0.30 -0.30 0.71 -0.30 0.71 -0.30 1.30 -0.30 -0.30 -0.30 0.16 0.71 -0.30 -0.30
118 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.13 -0.20 -0.20 -0.20 -0.20 -0.13 -0.20 -0.20 -0.20 -0.20 -0.20 -0.13
119 0.71 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.30 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.30 -0.46 -0.46 -0.46 -0.46
120 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26
121 0.56 0.56 0.56 0.56 0.56 0.56 0.56 -0.20 0.56 -0.20 0.56 0.56 -0.20 0.56 0.56 0.56 0.56 0.56 0.56 0.56
122 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 -0.38 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16
123 0.55 0.55 -0.02 0.55 1.11 0.55 -0.02 0.55 -0.02 0.55 1.11 1.11 0.55 1.11 0.55 0.55 -0.02 0.55 0.55 0.55
124 0.41 0.74 0.74 0.41 0.30 0.41 0.74 0.74 0.74 0.74 0.74 0.30 0.74 0.41 0.74 0.74 0.74 0.74 0.74 0.74
125 0.51 0.23 0.51 0.23 0.51 0.23 0.51 0.23 0.23 0.23 0.23 0.51 0.23 0.51 0.51 0.51 0.23 0.23 0.23 0.51
#Reported_Model_Average 0.558 0.585 0.580 0.579 0.588 0.514 0.586 0.601 0.492 0.557 0.577 0.487 0.637 0.604 0.603 0.581 0.586 0.569 0.538 0.557
#Overall_Average_Reported 0.569
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
9.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
10.000 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0
11.000 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0
12.000 0 0 1 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 2 0 1 0 0
15.000 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0
16.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
17.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0
20.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
21.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0 1 0 1 0 1 1 0 0 0 0 1 0 1 0 2
24.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 0 0 0 0 0 0 1 0 0
27.000 1 0 0 0 0 1 1 1 0 1 2 0 0 0 0 1 0 0 0 1
28.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
29.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
30.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
31.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
32.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
33.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
34.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
35.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
36.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
37.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
38.000 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0
39.000 0 0 0 0 0 0 1 0 1 0 2 0 0 0 0 1 0 0 0 1
40.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0
41.000 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0
58.000 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0
59.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
60.000 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
61.000 0 0 0 5 0 1 0 0 0 0 1 0 0 0 0 0 1 0 0 0
62.000 0 1 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 1 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 1 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 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
70.000 0 1 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 1 0
71.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
72.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
73.000 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 1 0 0 0 1
74.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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
79.000 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1
80.000 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0
81.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
82.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
83.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0
84.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
85.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
86.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
87.000 0 0 0 0 0 0 0 0 0 0 0 0 0 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
93.000 0 0 0 0 0 0 0 1 0 2 0 0 0 0 0 0 1 0 0 0
94.000 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
95.000 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0
96.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
97.000 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1
98.000 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
99.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0
100.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
101.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
102.000 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
103.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
104.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0
105.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
106.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
115.000 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1
116.000 2 1 1 0 2 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0
117.000 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0
118.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1
119.000 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0
120.000 0 0 0 2 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1
121.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
122.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
123.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
124.000 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0
125.000 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0
#Reported_Model_Average 0.095 0.095 0.060 0.119 0.095 0.131 0.024 0.060 0.036 0.048 0.095 0.012 0.024 0.012 0.024 0.119 0.071 0.095 0.071 0.119
#Overall_Average_Reported 0.070
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2242:A 92 PHE CB :A 91 ARG O : -0.593: 0
: 2242:A 92 PHE 2HB :A 91 ARG O : -0.491: 0
: 2242:A 116 LEU 3HD2 :A 116 LEU C : -0.547: 0
: 2242:A 110 ILE O :A 111 HIS 1HB : -0.528: 0
: 2242:A 142 HIS ND1 :A 142 HIS O : -0.492: 0
: 2242:A 97 VAL HA :A 38 VAL 2HG1 : -0.468: 0
: 2242:A 135 LEU O :A 136 GLU 1HB : -0.451: 0
: 2242:A 27 VAL N :A 23 GLU O : -0.436: 0
: 2242:A 108 SER HA :A 94 ALA HA : -0.436: 0
: 2242:A 6 PRO O :A 7 PHE 1HB : -0.430: 0
: 2242:A 126 THR HB :A 127 PRO 1HD : -0.410: 0
: 2242:A 14 LEU 1HD2 :A 56 VAL 2HG1 : -0.406: 0
#sum2 ::5.35 clashscore : 5.35 clashscore B<40
#summary::2242 atoms:2242 atoms B<40:250946 potential dots:15680.0 A^2:12 bumps:12 bumps B<40:791.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2242:A 48 THR HB :A 49 PRO 1HD : -0.468: 0
: 2242:A 51 VAL HB :A 50 GLU O : -0.449: 0
: 2242:A 97 VAL HA :A 38 VAL 2HG1 : -0.448: 0
: 2242:A 110 ILE H :A 116 LEU 1HD2 : -0.440: 0
: 2242:A 5 THR N :A 6 PRO CD : -0.422: 0
: 2242:A 98 PHE HA :A 102 LYS O : -0.418: 0
: 2242:A 126 THR HB :A 125 ASP O : -0.417: 0
: 2242:A 70 TRP 2HB :A 62 LEU 3HD1 : -0.411: 0
#sum2 ::3.57 clashscore : 3.57 clashscore B<40
#summary::2242 atoms:2242 atoms B<40:251133 potential dots:15700.0 A^2:8 bumps:8 bumps B<40:834.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2242:A 67 GLN 2HB :A 128 ALA HA : -0.476: 0
: 2242:A 60 GLU OE1 :A 60 GLU N : -0.469: 0
: 2242:A 8 SER H :A 12 GLN H : -0.461: 0
: 2242:A 116 LEU HG :A 107 LEU 2HB : -0.448: 0
: 2242:A 54 ASN 1HB :A 53 ASP O : -0.439: 0
: 2242:A 113 TRP O :A 114 ALA 3HB : -0.409: 0
: 2242:A 136 GLU H :A 134 GLN 1HG : -0.400: 0
#sum2 ::3.12 clashscore : 3.12 clashscore B<40
#summary::2242 atoms:2242 atoms B<40:250711 potential dots:15670.0 A^2:7 bumps:7 bumps B<40:819.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2242:A 79 GLN OE1 :A 79 GLN N : -0.535: 0
: 2242:A 111 HIS H :A 112 PRO 1HD : -0.529: 0
: 2242:A 112 PRO CD :A 111 HIS H : -0.501: 0
: 2242:A 112 PRO 2HD :A 111 HIS 2HB : -0.446: 0
: 2242:A 45 PRO HA :A 51 VAL 1HG2 : -0.481: 0
: 2242:A 51 VAL HB :A 50 GLU O : -0.461: 0
: 2242:A 50 GLU 2HB :A 49 PRO O : -0.405: 0
: 2242:A 113 TRP O :A 114 ALA 3HB : -0.480: 0
: 2242:A 139 HIS 1HB :A 138 HIS O : -0.462: 0
: 2242:A 117 LEU 2HD1 :A 120 MET SD : -0.441: 0
: 2242:A 61 LEU O :A 61 LEU 3HD2 : -0.420: 0
: 2242:A 61 LEU HG :A 120 MET SD : -0.411: 0
: 2242:A 61 LEU C :A 61 LEU 3HD2 : -0.401: 0
: 2242:A 47 ARG O :A 48 THR HB : -0.435: 0
#sum2 ::6.24 clashscore : 6.24 clashscore B<40
#summary::2242 atoms:2242 atoms B<40:250898 potential dots:15680.0 A^2:14 bumps:14 bumps B<40:801 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2242:A 98 PHE HA :A 102 LYS O : -0.443: 0
: 2242:A 116 LEU N :A 116 LEU CD1 : -0.440: 0
: 2242:A 10 LEU HG :A 7 PHE 1HB : -0.433: 0
: 2242:A 115 GLU N :A 113 TRP O : -0.416: 0
: 2242:A 51 VAL 2HG1 :A 51 VAL O : -0.412: 0
: 2242:A 41 LEU 2HD2 :A 80 SER HA : -0.400: 0
#sum2 ::2.68 clashscore : 2.68 clashscore B<40
#summary::2242 atoms:2242 atoms B<40:251076 potential dots:15690.0 A^2:6 bumps:6 bumps B<40:842.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2242:A 112 PRO O :A 113 TRP 2HB : -0.481: 0
: 2242:A 112 PRO O :A 113 TRP CB : -0.466: 0
: 2242:A 110 ILE O :A 111 HIS CB : -0.478: 0
: 2242:A 110 ILE O :A 111 HIS 2HB : -0.439: 0
: 2242:A 55 PRO CD :A 54 ASN N : -0.465: 0
: 2242:A 58 ILE HA :A 61 LEU 2HD1 : -0.449: 0
: 2242:A 135 LEU O :A 136 GLU CB : -0.430: 0
: 2242:A 64 GLU 1HG :A 117 LEU 2HD2 : -0.428: 0
: 2242:A 70 TRP 2HB :A 62 LEU 3HD1 : -0.423: 0
: 2242:A 27 VAL N :A 23 GLU O : -0.407: 0
: 2242:A 11 TRP CZ3 :A 76 ASP HA : -0.406: 0
: 2242:A 119 LEU 2HD1 :A 116 LEU 3HD2 : -0.403: 0
#sum2 ::5.35 clashscore : 5.35 clashscore B<40
#summary::2242 atoms:2242 atoms B<40:250926 potential dots:15680.0 A^2:12 bumps:12 bumps B<40:822.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2242:A 113 TRP O :A 114 ALA 3HB : -0.482: 0
: 2242:A 108 SER 2HB :A 107 LEU O : -0.434: 0
: 2242:A 138 HIS O :A 139 HIS 2HB : -0.429: 0
: 2242:A 3 ASN O :A 4 ASP 1HB : -0.417: 0
: 2242:A 27 VAL 2HG2 :A 39 ILE 3HD1 : -0.415: 0
: 2242:A 44 ASP N :A 45 PRO CD : -0.411: 0
#sum2 ::2.68 clashscore : 2.68 clashscore B<40
#summary::2242 atoms:2242 atoms B<40:251227 potential dots:15700.0 A^2:6 bumps:6 bumps B<40:875.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2242:A 112 PRO CD :A 111 HIS H : -0.500: 0
: 2242:A 111 HIS N :A 112 PRO CD : -0.481: 0
: 2242:A 111 HIS 1HB :A 112 PRO 2HD : -0.437: 0
: 2242:A 131 GLU 2HG :A 134 GLN 2HG : -0.495: 0
: 2242:A 49 PRO O :A 50 GLU 1HB : -0.460: 0
: 2242:A 49 PRO 2HD :A 48 THR N : -0.452: 0
: 2242:A 95 THR HB :A 107 LEU 2HB : -0.458: 0
: 2242:A 113 TRP O :A 114 ALA 3HB : -0.452: 0
: 2242:A 126 THR HB :A 125 ASP O : -0.452: 0
: 2242:A 27 VAL N :A 23 GLU O : -0.450: 0
: 2242:A 93 PRO 1HD :A 92 PHE 1HB : -0.418: 0
: 2242:A 6 PRO 2HD :A 5 THR N : -0.414: 0
#sum2 ::5.35 clashscore : 5.35 clashscore B<40
#summary::2242 atoms:2242 atoms B<40:251301 potential dots:15710.0 A^2:12 bumps:12 bumps B<40:852.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2242:A 51 VAL 2HG1 :A 51 VAL O : -0.515: 0
: 2242:A 51 VAL O :A 52 SER 2HB : -0.462: 0
: 2242:A 49 PRO O :A 50 GLU 1HB : -0.473: 0
: 2242:A 91 ARG O :A 92 PHE 1HB : -0.468: 0
: 2242:A 91 ARG O :A 92 PHE CB : -0.403: 0
: 2242:A 43 SER O :A 44 ASP CB : -0.453: 0
: 2242:A 42 SER O :A 43 SER 2HB : -0.404: 0
: 2242:A 39 ILE 1HG1 :A 73 ALA 3HB : -0.451: 0
: 2242:A 10 LEU 1HB :A 6 PRO 1HB : -0.422: 0
: 2242:A 47 ARG O :A 48 THR HB : -0.419: 0
: 2242:A 113 TRP O :A 114 ALA 3HB : -0.405: 0
#sum2 ::4.91 clashscore : 4.91 clashscore B<40
#summary::2242 atoms:2242 atoms B<40:251161 potential dots:15700.0 A^2:11 bumps:11 bumps B<40:836.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2242:A 92 PHE CB :A 91 ARG O : -0.627: 0
: 2242:A 92 PHE 2HB :A 91 ARG O : -0.497: 0
: 2242:A 93 PRO 1HD :A 92 PHE CD1 : -0.443: 0
: 2242:A 93 PRO 1HD :A 92 PHE CG : -0.429: 0
: 2242:A 110 ILE 2HD1 :A 110 ILE C : -0.607: 0
: 2242:A 110 ILE C :A 110 ILE CD1 : -0.446: 0
: 2242:A 19 TRP 1HB :A 18 GLY O : -0.450: 0
: 2242:A 51 VAL O :A 52 SER 1HB : -0.432: 0
: 2242:A 77 LEU 1HB :A 8 SER 1HB : -0.430: 0
: 2242:A 114 ALA 2HB :A 113 TRP O : -0.423: 0
: 2242:A 27 VAL N :A 23 GLU O : -0.423: 0
#sum2 ::4.91 clashscore : 4.91 clashscore B<40
#summary::2242 atoms:2242 atoms B<40:251200 potential dots:15700.0 A^2:11 bumps:11 bumps B<40:853.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2242:A 77 LEU C :A 77 LEU 3HD1 : -0.570: 0
: 2242:A 77 LEU C :A 77 LEU CD1 : -0.402: 0
: 2242:A 43 SER 1HB :A 42 SER O : -0.530: 0
: 2242:A 44 ASP CB :A 43 SER O : -0.472: 0
: 2242:A 42 SER O :A 43 SER CB : -0.439: 0
: 2242:A 11 TRP 2HB :A 8 SER HA : -0.495: 0
: 2242:A 27 VAL N :A 23 GLU O : -0.470: 0
: 2242:A 39 ILE 1HG1 :A 73 ALA 3HB : -0.411: 0
: 2242:A 27 VAL 3HG2 :A 39 ILE 3HD1 : -0.408: 0
: 2242:A 133 VAL O :A 134 GLN 2HB : -0.450: 0
: 2242:A 48 THR N :A 49 PRO CD : -0.426: 0
: 2242:A 57 MET O :A 61 LEU HG : -0.410: 0
#sum2 ::5.35 clashscore : 5.35 clashscore B<40
#summary::2242 atoms:2242 atoms B<40:251107 potential dots:15690.0 A^2:12 bumps:12 bumps B<40:871.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2242:A 45 PRO 1HD :A 44 ASP 1HB : -0.622: 0
: 2242:A 3 ASN 1HB :A 2 ALA O : -0.574: 0
: 2242:A 110 ILE 1HG2 :A 55 PRO HA : -0.513: 0
: 2242:A 133 VAL HB :A 132 THR O : -0.480: 0
: 2242:A 18 GLY O :A 15 LEU HA : -0.429: 0
: 2242:A 19 TRP 1HB :A 18 GLY O : -0.423: 0
#sum2 ::2.68 clashscore : 2.68 clashscore B<40
#summary::2242 atoms:2242 atoms B<40:251020 potential dots:15690.0 A^2:6 bumps:6 bumps B<40:844.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2242:A 48 THR HB :A 49 PRO 2HD : -0.531: 0
: 2242:A 48 THR H :A 49 PRO 1HD : -0.496: 0
: 2242:A 48 THR H :A 49 PRO CD : -0.494: 0
: 2242:A 113 TRP O :A 114 ALA 3HB : -0.474: 0
: 2242:A 91 ARG 2HB :A 90 ARG O : -0.472: 0
: 2242:A 55 PRO 2HD :A 44 ASP 2HB : -0.455: 0
: 2242:A 55 PRO 2HD :A 54 ASN HA : -0.432: 0
: 2242:A 120 MET O :A 124 VAL 2HG2 : -0.420: 0
: 2242:A 111 HIS N :A 112 PRO CD : -0.411: 0
: 2242:A 19 TRP 1HB :A 18 GLY O : -0.403: 0
: 2242:A 132 THR HB :A 131 GLU O : -0.403: 0
#sum2 ::4.91 clashscore : 4.91 clashscore B<40
#summary::2242 atoms:2242 atoms B<40:250965 potential dots:15690.0 A^2:11 bumps:11 bumps B<40:774.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2242:A 51 VAL HB :A 50 GLU O : -0.506: 0
: 2242:A 50 GLU O :A 51 VAL CB : -0.402: 0
: 2242:A 7 PHE H :A 5 THR 2HG2 : -0.482: 0
: 2242:A 7 PHE O :A 8 SER 1HB : -0.414: 0
: 2242:A 129 ALA O :A 130 GLN 1HB : -0.446: 0
: 2242:A 134 GLN 1HG :A 133 VAL 3HG1 : -0.446: 0
: 2242:A 113 TRP O :A 114 ALA 3HB : -0.444: 0
: 2242:A 113 TRP HA :A 116 LEU 1HB : -0.409: 0
#sum2 ::3.57 clashscore : 3.57 clashscore B<40
#summary::2242 atoms:2242 atoms B<40:251100 potential dots:15690.0 A^2:8 bumps:8 bumps B<40:876 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2242:A 48 THR HB :A 49 PRO 2HD : -0.617: 0
: 2242:A 48 THR H :A 49 PRO 1HD : -0.550: 0
: 2242:A 48 THR HB :A 49 PRO CD : -0.463: 0
: 2242:A 48 THR H :A 49 PRO CD : -0.446: 0
: 2242:A 6 PRO O :A 7 PHE 1HB : -0.450: 0
: 2242:A 70 TRP 2HB :A 62 LEU 3HD1 : -0.446: 0
: 2242:A 89 VAL 3HG2 :A 91 ARG H : -0.445: 0
: 2242:A 46 ARG 2HG :A 2 ALA HA : -0.427: 0
: 2242:A 2 ALA HA :A 46 ARG HA : -0.414: 0
#sum2 ::4.01 clashscore : 4.01 clashscore B<40
#summary::2242 atoms:2242 atoms B<40:251111 potential dots:15690.0 A^2:9 bumps:9 bumps B<40:865.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2242:A 113 TRP O :A 114 ALA CB : -0.611: 0
: 2242:A 113 TRP O :A 114 ALA 2HB : -0.418: 0
: 2242:A 127 PRO 2HB :A 134 GLN 2HG : -0.490: 0
: 2242:A 126 THR 2HG2 :A 128 ALA H : -0.470: 0
: 2242:A 14 LEU O :A 17 ARG 1HG : -0.441: 0
: 2242:A 55 PRO 1HB :A 14 LEU 1HD1 : -0.441: 0
: 2242:A 39 ILE 1HG1 :A 73 ALA 3HB : -0.430: 0
: 2242:A 27 VAL N :A 23 GLU O : -0.416: 0
: 2242:A 83 ILE 2HD1 :A 75 ALA 1HB : -0.407: 0
: 2242:A 80 SER 2HB :A 41 LEU 2HB : -0.405: 0
#sum2 ::4.46 clashscore : 4.46 clashscore B<40
#summary::2242 atoms:2242 atoms B<40:250965 potential dots:15690.0 A^2:10 bumps:10 bumps B<40:876.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2242:A 132 THR HB :A 131 GLU O : -0.450: 0
: 2242:A 130 GLN O :A 131 GLU 1HB : -0.430: 0
: 2242:A 112 PRO 2HD :A 111 HIS 2HB : -0.438: 0
: 2242:A 111 HIS N :A 112 PRO CD : -0.432: 0
: 2242:A 117 LEU 3HD2 :A 61 LEU 2HD1 : -0.417: 0
: 2242:A 126 THR HB :A 125 ASP O : -0.410: 0
: 2242:A 52 SER 1HB :A 93 PRO 1HB : -0.409: 0
: 2242:A 137 HIS O :A 138 HIS 2HB : -0.407: 0
: 2242:A 80 SER 2HB :A 41 LEU HA : -0.401: 0
#sum2 ::4.01 clashscore : 4.01 clashscore B<40
#summary::2242 atoms:2242 atoms B<40:251286 potential dots:15710.0 A^2:9 bumps:9 bumps B<40:815.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2242:A 48 THR HB :A 49 PRO 1HD : -0.554: 0
: 2242:A 48 THR N :A 46 ARG O : -0.440: 0
: 2242:A 113 TRP 2HB :A 52 SER HA : -0.537: 0
: 2242:A 52 SER 2HB :A 116 LEU 2HD1 : -0.406: 0
: 2242:A 23 GLU H :A 26 THR HB : -0.524: 0
: 2242:A 56 VAL HB :A 55 PRO O : -0.489: 0
: 2242:A 55 PRO 2HB :A 14 LEU 1HD1 : -0.405: 0
: 2242:A 131 GLU 2HB :A 130 GLN O : -0.488: 0
: 2242:A 130 GLN O :A 131 GLU CB : -0.420: 0
: 2242:A 104 ARG 2HG :A 99 THR HB : -0.485: 0
: 2242:A 40 LEU 3HD1 :A 58 ILE 1HD1 : -0.466: 0
#sum2 ::4.91 clashscore : 4.91 clashscore B<40
#summary::2242 atoms:2242 atoms B<40:251348 potential dots:15710.0 A^2:11 bumps:11 bumps B<40:803.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2242:A 126 THR HB :A 127 PRO 1HD : -0.524: 0
: 2242:A 5 THR O :A 5 THR 2HG2 : -0.493: 0
: 2242:A 56 VAL 3HG2 :A 57 MET 1HG : -0.460: 0
: 2242:A 76 ASP H :A 74 VAL 2HG1 : -0.458: 0
: 2242:A 70 TRP 2HB :A 62 LEU 3HD1 : -0.435: 0
: 2242:A 95 THR HB :A 107 LEU 2HD1 : -0.431: 0
: 2242:A 53 ASP 2HB :A 45 PRO HA : -0.424: 0
: 2242:A 138 HIS 2HB :A 135 LEU 2HB : -0.414: 0
: 2242:A 97 VAL HA :A 38 VAL 2HG1 : -0.406: 0
#sum2 ::4.01 clashscore : 4.01 clashscore B<40
#summary::2242 atoms:2242 atoms B<40:250753 potential dots:15670.0 A^2:9 bumps:9 bumps B<40:811.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2242:A 77 LEU O :A 77 LEU 3HD2 : -0.852: 0
: 2242:A 77 LEU C :A 77 LEU 3HD2 : -0.587: 0
: 2242:A 77 LEU CD2 :A 77 LEU C : -0.578: 0
: 2242:A 79 GLN 2HG :A 23 GLU 1HG : -0.561: 0
: 2242:A 27 VAL N :A 23 GLU O : -0.456: 0
: 2242:A 5 THR HB :A 6 PRO 1HD : -0.511: 0
: 2242:A 54 ASN 1HB :A 53 ASP O : -0.446: 0
: 2242:A 110 ILE O :A 111 HIS CB : -0.444: 0
: 2242:A 110 ILE O :A 111 HIS 2HB : -0.436: 0
: 2242:A 114 ALA 3HB :A 111 HIS 2HB : -0.433: 0
: 2242:A 45 PRO 2HD :A 44 ASP 1HB : -0.422: 0
: 2242:A 118 THR HB :A 115 GLU HA : -0.419: 0
: 2242:A 120 MET SD :A 97 VAL 1HG2 : -0.418: 0
: 2242:A 39 ILE 1HG1 :A 73 ALA 3HB : -0.407: 0
#sum2 ::6.24 clashscore : 6.24 clashscore B<40
#summary::2242 atoms:2242 atoms B<40:251194 potential dots:15700.0 A^2:14 bumps:14 bumps B<40:835.3 score
Output from PDB validation software
Summary from PDB validation
May. 11, 01:49:02 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.
Chain Atom Res Seq Chain Atom Res Seq Mol_ID Distance
-------------------------------------------------------------------------
A H SER 8 - A H GLN 12 3 Dist = 1.59
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 0.010 Angstroms
The following table contains a list of the covalent bonds
greater than 6.0*RMSD.
Deviation Residue Chain Sequence Model AT1 - AT2 Bond Dictionary
Name ID Number Distance Value
------------------------------------------------------------------------
0.070 PRO A 45 4 CD - N 1.543 1.473
0.086 PRO A 112 4 CD - N 1.559 1.473
0.067 PRO A 66 6 CD - N 1.540 1.473
0.085 PRO A 55 10 CD - N 1.558 1.473
0.071 PRO A 112 11 CD - N 1.544 1.473
0.093 PRO A 49 13 CD - N 1.566 1.473
0.104 PRO A 49 15 CD - N 1.577 1.473
0.072 PRO A 55 20 CD - N 1.545 1.473
0.063 PRO A 66 20 CD - N 1.536 1.473
*** Covalent Angle Values:
The RMS deviation for covalent angles relative to the standard
dictionary is 0.7 degrees.
The following table contains a list of the covalent bond angles
greater than 6.0*RMSD.
Deviation Residue Chain Sequence Model AT1 - AT2 - AT3 Bond Dictionary
Name ID Number Angle Value
--------------------------------------------------------------------------------
-4.6 PRO A 112 4 CA - N - CD 107.4 112.0
4.5 ALA A 114 5 N - CA - C 115.7 111.2
-5.3 PRO A 55 10 CA - N - CD 106.7 112.0
-4.9 PRO A 49 13 CA - N - CD 107.1 112.0
-4.4 PRO A 55 20 CA - N - CD 107.6 112.0
TORSION ANGLES
The torsion angle distributions have been checked. The postscript file of the
conformation rings showing the torsion angle distributions will be sent in a
separate E-mail message.
CHIRALITY
The chirality has been checked. O1P, O2P, and hydrogen atoms which do not
follow the convention defined in the IUBMB (Liebecq, C. Compendium of
Biochemical Nomenclature and Related Documents, 2nd ed.; Portland Press:
London and Chapel Hill, 1992) and IUPAC nomenclature (J.L. Markley, A. Bax,
Y. Arata, C.W. Hilbers, R. Kaptein, B.D. Sykes, P.E. Wright and K. Wüthrich,
Recommendations for the Presentation of NMR Structures of Proteins and
Nucleic Acids, Pure & Appl. Chem., Vol. 70, pp. 117-142, 1998) have been
standardized. Any other stereochemical violations are listed below.
E/Z NOMENCLATURE
E/Z nomenclature of hydrogens and/or nitrogens on Arg, Asn or Gln residues needs
to be corrected to conform with the standard for E/Z orientation presented in
[J.L. Markley, et al., Recommendations for the Presentation of NMR Structures of
Proteins and Nucleic Acids, Pure & Appl. Chem., 1998, 70, 117-142].
Model Chain Residue Residue Atom Name Original
Name Number Atom Name
----- ----- ------- ------- -------- ---------
1 A ASN 3 1HD2
1 A ASN 3 2HD2
1 A GLN 12 1HE2
1 A GLN 12 2HE2
1 A GLN 20 1HE2
1 A GLN 20 2HE2
1 A ASN 54 1HD2
1 A ASN 54 2HD2
1 A GLN 67 1HE2
1 A GLN 67 2HE2
1 A GLN 71 1HE2
1 A GLN 71 2HE2
1 A GLN 79 1HE2
1 A GLN 79 2HE2
1 A ASN 88 1HD2
1 A ASN 88 2HD2
1 A GLN 130 1HE2
1 A GLN 130 2HE2
1 A GLN 134 1HE2
1 A GLN 134 2HE2
2 A ASN 3 1HD2
2 A ASN 3 2HD2
2 A GLN 12 1HE2
2 A GLN 12 2HE2
2 A GLN 20 1HE2
2 A GLN 20 2HE2
2 A ASN 54 1HD2
2 A ASN 54 2HD2
2 A GLN 67 1HE2
2 A GLN 67 2HE2
2 A GLN 71 1HE2
2 A GLN 71 2HE2
2 A GLN 79 1HE2
2 A GLN 79 2HE2
2 A ASN 88 1HD2
2 A ASN 88 2HD2
2 A GLN 130 1HE2
2 A GLN 130 2HE2
2 A GLN 134 1HE2
2 A GLN 134 2HE2
3 A ASN 3 1HD2
3 A ASN 3 2HD2
3 A GLN 12 1HE2
3 A GLN 12 2HE2
3 A GLN 20 1HE2
3 A GLN 20 2HE2
3 A ASN 54 1HD2
3 A ASN 54 2HD2
3 A GLN 67 1HE2
3 A GLN 67 2HE2
3 A GLN 71 1HE2
3 A GLN 71 2HE2
3 A GLN 79 1HE2
3 A GLN 79 2HE2
3 A ASN 88 1HD2
3 A ASN 88 2HD2
3 A GLN 130 1HE2
3 A GLN 130 2HE2
3 A GLN 134 1HE2
3 A GLN 134 2HE2
4 A ASN 3 1HD2
4 A ASN 3 2HD2
4 A GLN 12 1HE2
4 A GLN 12 2HE2
4 A GLN 20 1HE2
4 A GLN 20 2HE2
4 A ASN 54 1HD2
4 A ASN 54 2HD2
4 A GLN 67 1HE2
4 A GLN 67 2HE2
4 A GLN 71 1HE2
4 A GLN 71 2HE2
4 A GLN 79 1HE2
4 A GLN 79 2HE2
4 A ASN 88 1HD2
4 A ASN 88 2HD2
4 A GLN 130 1HE2
4 A GLN 130 2HE2
4 A GLN 134 1HE2
4 A GLN 134 2HE2
5 A ASN 3 1HD2
5 A ASN 3 2HD2
5 A GLN 12 1HE2
5 A GLN 12 2HE2
5 A GLN 20 1HE2
5 A GLN 20 2HE2
5 A ASN 54 1HD2
5 A ASN 54 2HD2
5 A GLN 67 1HE2
5 A GLN 67 2HE2
5 A GLN 71 1HE2
5 A GLN 71 2HE2
5 A GLN 79 1HE2
5 A GLN 79 2HE2
5 A ASN 88 1HD2
5 A ASN 88 2HD2
5 A GLN 130 1HE2
5 A GLN 130 2HE2
5 A GLN 134 1HE2
5 A GLN 134 2HE2
6 A ASN 3 1HD2
6 A ASN 3 2HD2
6 A GLN 12 1HE2
6 A GLN 12 2HE2
6 A GLN 20 1HE2
6 A GLN 20 2HE2
6 A ASN 54 1HD2
6 A ASN 54 2HD2
6 A GLN 67 1HE2
6 A GLN 67 2HE2
6 A GLN 71 1HE2
6 A GLN 71 2HE2
6 A GLN 79 1HE2
6 A GLN 79 2HE2
6 A ASN 88 1HD2
6 A ASN 88 2HD2
6 A GLN 130 1HE2
6 A GLN 130 2HE2
6 A GLN 134 1HE2
6 A GLN 134 2HE2
7 A ASN 3 1HD2
7 A ASN 3 2HD2
7 A GLN 12 1HE2
7 A GLN 12 2HE2
7 A GLN 20 1HE2
7 A GLN 20 2HE2
7 A ASN 54 1HD2
7 A ASN 54 2HD2
7 A GLN 67 1HE2
7 A GLN 67 2HE2
7 A GLN 71 1HE2
7 A GLN 71 2HE2
7 A GLN 79 1HE2
7 A GLN 79 2HE2
7 A ASN 88 1HD2
7 A ASN 88 2HD2
7 A GLN 130 1HE2
7 A GLN 130 2HE2
7 A GLN 134 1HE2
7 A GLN 134 2HE2
8 A ASN 3 1HD2
8 A ASN 3 2HD2
8 A GLN 12 1HE2
8 A GLN 12 2HE2
8 A GLN 20 1HE2
8 A GLN 20 2HE2
8 A ASN 54 1HD2
8 A ASN 54 2HD2
8 A GLN 67 1HE2
8 A GLN 67 2HE2
8 A GLN 71 1HE2
8 A GLN 71 2HE2
8 A GLN 79 1HE2
8 A GLN 79 2HE2
8 A ASN 88 1HD2
8 A ASN 88 2HD2
8 A GLN 130 1HE2
8 A GLN 130 2HE2
8 A GLN 134 1HE2
8 A GLN 134 2HE2
9 A ASN 3 1HD2
9 A ASN 3 2HD2
9 A GLN 12 1HE2
9 A GLN 12 2HE2
9 A GLN 20 1HE2
9 A GLN 20 2HE2
9 A ASN 54 1HD2
9 A ASN 54 2HD2
9 A GLN 67 1HE2
9 A GLN 67 2HE2
9 A GLN 71 1HE2
9 A GLN 71 2HE2
9 A GLN 79 1HE2
9 A GLN 79 2HE2
9 A ASN 88 1HD2
9 A ASN 88 2HD2
9 A GLN 130 1HE2
9 A GLN 130 2HE2
9 A GLN 134 1HE2
9 A GLN 134 2HE2
10 A ASN 3 1HD2
10 A ASN 3 2HD2
10 A GLN 12 1HE2
10 A GLN 12 2HE2
10 A GLN 20 1HE2
10 A GLN 20 2HE2
10 A ASN 54 1HD2
10 A ASN 54 2HD2
10 A GLN 67 1HE2
10 A GLN 67 2HE2
10 A GLN 71 1HE2
10 A GLN 71 2HE2
10 A GLN 79 1HE2
10 A GLN 79 2HE2
10 A ASN 88 1HD2
10 A ASN 88 2HD2
10 A GLN 130 1HE2
10 A GLN 130 2HE2
10 A GLN 134 1HE2
10 A GLN 134 2HE2
11 A ASN 3 1HD2
11 A ASN 3 2HD2
11 A GLN 12 1HE2
11 A GLN 12 2HE2
11 A GLN 20 1HE2
11 A GLN 20 2HE2
11 A ASN 54 1HD2
11 A ASN 54 2HD2
11 A GLN 67 1HE2
11 A GLN 67 2HE2
11 A GLN 71 1HE2
11 A GLN 71 2HE2
11 A GLN 79 1HE2
11 A GLN 79 2HE2
11 A ASN 88 1HD2
11 A ASN 88 2HD2
11 A GLN 130 1HE2
11 A GLN 130 2HE2
11 A GLN 134 1HE2
11 A GLN 134 2HE2
12 A ASN 3 1HD2
12 A ASN 3 2HD2
12 A GLN 12 1HE2
12 A GLN 12 2HE2
12 A GLN 20 1HE2
12 A GLN 20 2HE2
12 A ASN 54 1HD2
12 A ASN 54 2HD2
12 A GLN 67 1HE2
12 A GLN 67 2HE2
12 A GLN 71 1HE2
12 A GLN 71 2HE2
12 A GLN 79 1HE2
12 A GLN 79 2HE2
12 A ASN 88 1HD2
12 A ASN 88 2HD2
12 A GLN 130 1HE2
12 A GLN 130 2HE2
12 A GLN 134 1HE2
12 A GLN 134 2HE2
13 A ASN 3 1HD2
13 A ASN 3 2HD2
13 A GLN 12 1HE2
13 A GLN 12 2HE2
13 A GLN 20 1HE2
13 A GLN 20 2HE2
13 A ASN 54 1HD2
13 A ASN 54 2HD2
13 A GLN 67 1HE2
13 A GLN 67 2HE2
13 A GLN 71 1HE2
13 A GLN 71 2HE2
13 A GLN 79 1HE2
13 A GLN 79 2HE2
13 A ASN 88 1HD2
13 A ASN 88 2HD2
13 A GLN 130 1HE2
13 A GLN 130 2HE2
13 A GLN 134 1HE2
13 A GLN 134 2HE2
14 A ASN 3 1HD2
14 A ASN 3 2HD2
14 A GLN 12 1HE2
14 A GLN 12 2HE2
14 A GLN 20 1HE2
14 A GLN 20 2HE2
14 A ASN 54 1HD2
14 A ASN 54 2HD2
14 A GLN 67 1HE2
14 A GLN 67 2HE2
14 A GLN 71 1HE2
14 A GLN 71 2HE2
14 A GLN 79 1HE2
14 A GLN 79 2HE2
14 A ASN 88 1HD2
14 A ASN 88 2HD2
14 A GLN 130 1HE2
14 A GLN 130 2HE2
14 A GLN 134 1HE2
14 A GLN 134 2HE2
15 A ASN 3 1HD2
15 A ASN 3 2HD2
15 A GLN 12 1HE2
15 A GLN 12 2HE2
15 A GLN 20 1HE2
15 A GLN 20 2HE2
15 A ASN 54 1HD2
15 A ASN 54 2HD2
15 A GLN 67 1HE2
15 A GLN 67 2HE2
15 A GLN 71 1HE2
15 A GLN 71 2HE2
15 A GLN 79 1HE2
15 A GLN 79 2HE2
15 A ASN 88 1HD2
15 A ASN 88 2HD2
15 A GLN 130 1HE2
15 A GLN 130 2HE2
15 A GLN 134 1HE2
15 A GLN 134 2HE2
16 A ASN 3 1HD2
16 A ASN 3 2HD2
16 A GLN 12 1HE2
16 A GLN 12 2HE2
16 A GLN 20 1HE2
16 A GLN 20 2HE2
16 A ASN 54 1HD2
16 A ASN 54 2HD2
16 A GLN 67 1HE2
16 A GLN 67 2HE2
16 A GLN 71 1HE2
16 A GLN 71 2HE2
16 A GLN 79 1HE2
16 A GLN 79 2HE2
16 A ASN 88 1HD2
16 A ASN 88 2HD2
16 A GLN 130 1HE2
16 A GLN 130 2HE2
16 A GLN 134 1HE2
16 A GLN 134 2HE2
17 A ASN 3 1HD2
17 A ASN 3 2HD2
17 A GLN 12 1HE2
17 A GLN 12 2HE2
17 A GLN 20 1HE2
17 A GLN 20 2HE2
17 A ASN 54 1HD2
17 A ASN 54 2HD2
17 A GLN 67 1HE2
17 A GLN 67 2HE2
17 A GLN 71 1HE2
17 A GLN 71 2HE2
17 A GLN 79 1HE2
17 A GLN 79 2HE2
17 A ASN 88 1HD2
17 A ASN 88 2HD2
17 A GLN 130 1HE2
17 A GLN 130 2HE2
17 A GLN 134 1HE2
17 A GLN 134 2HE2
18 A ASN 3 1HD2
18 A ASN 3 2HD2
18 A GLN 12 1HE2
18 A GLN 12 2HE2
18 A GLN 20 1HE2
18 A GLN 20 2HE2
18 A ASN 54 1HD2
18 A ASN 54 2HD2
18 A GLN 67 1HE2
18 A GLN 67 2HE2
18 A GLN 71 1HE2
18 A GLN 71 2HE2
18 A GLN 79 1HE2
18 A GLN 79 2HE2
18 A ASN 88 1HD2
18 A ASN 88 2HD2
18 A GLN 130 1HE2
18 A GLN 130 2HE2
18 A GLN 134 1HE2
18 A GLN 134 2HE2
19 A ASN 3 1HD2
19 A ASN 3 2HD2
19 A GLN 12 1HE2
19 A GLN 12 2HE2
19 A GLN 20 1HE2
19 A GLN 20 2HE2
19 A ASN 54 1HD2
19 A ASN 54 2HD2
19 A GLN 67 1HE2
19 A GLN 67 2HE2
19 A GLN 71 1HE2
19 A GLN 71 2HE2
19 A GLN 79 1HE2
19 A GLN 79 2HE2
19 A ASN 88 1HD2
19 A ASN 88 2HD2
19 A GLN 130 1HE2
19 A GLN 130 2HE2
19 A GLN 134 1HE2
19 A GLN 134 2HE2
20 A ASN 3 1HD2
20 A ASN 3 2HD2
20 A GLN 12 1HE2
20 A GLN 12 2HE2
20 A GLN 20 1HE2
20 A GLN 20 2HE2
20 A ASN 54 1HD2
20 A ASN 54 2HD2
20 A GLN 67 1HE2
20 A GLN 67 2HE2
20 A GLN 71 1HE2
20 A GLN 71 2HE2
20 A GLN 79 1HE2
20 A GLN 79 2HE2
20 A ASN 88 1HD2
20 A ASN 88 2HD2
20 A GLN 130 1HE2
20 A GLN 130 2HE2
20 A GLN 134 1HE2
20 A GLN 134 2HE2
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-141 )
ALA( 1 A-140 )
ASN( 1 A-139 )
ASP( 1 A-138 )
THR( 1 A-137 )
PRO( 1 A-136 )
PHE( 1 A-135 )
SER( 1 A-134 )
ALA( 1 A-133 )
LEU( 1 A-132 )
TRP( 1 A-131 )
GLN( 1 A-130 )
ARG( 1 A-129 )
LEU( 1 A-128 )
LEU( 1 A-127 )
THR( 1 A-126 )
ARG( 1 A-125 )
GLY( 1 A-124 )
TRP( 1 A-123 )
GLN( 1 A-122 )
PRO( 1 A-121 )
VAL( 1 A-120 )
GLU( 1 A-119 )
ALA( 1 A-118 )
SER( 1 A-117 )
THR( 1 A-116 )
VAL( 1 A-115 )
ASP( 1 A-114 )
ASP( 1 A-113 )
TRP( 1 A-112 )
ILE( 1 A-111 )
LYS( 1 A-110 )
ARG( 1 A-109 )
VAL( 1 A-108 )
GLY( 1 A-107 )
ASP( 1 A-106 )
GLY( 1 A-105 )
VAL( 1 A-104 )
ILE( 1 A-103 )
LEU( 1 A-102 )
LEU( 1 A-101 )
SER( 1 A-100 )
SER( 1 A -99 )
ASP( 1 A -98 )
PRO( 1 A -97 )
ARG( 1 A -96 )
ARG( 1 A -95 )
THR( 1 A -94 )
PRO( 1 A -93 )
GLU( 1 A -92 )
VAL( 1 A -91 )
SER( 1 A -90 )
ASP( 1 A -89 )
ASN( 1 A -88 )
PRO( 1 A -87 )
VAL( 1 A -86 )
MET( 1 A -85 )
ILE( 1 A -84 )
ALA( 1 A -83 )
GLU( 1 A -82 )
LEU( 1 A -81 )
LEU( 1 A -80 )
ARG( 1 A -79 )
GLU( 1 A -78 )
PHE( 1 A -77 )
PRO( 1 A -76 )
GLN( 1 A -75 )
PHE( 1 A -74 )
ASP( 1 A -73 )
TRP( 1 A -72 )
GLN( 1 A -71 )
VAL( 1 A -70 )
ALA( 1 A -69 )
VAL( 1 A -68 )
ALA( 1 A -67 )
ASP( 1 A -66 )
LEU( 1 A -65 )
GLU( 1 A -64 )
GLN( 1 A -63 )
SER( 1 A -62 )
GLU( 1 A -61 )
ALA( 1 A -60 )
ILE( 1 A -59 )
GLY( 1 A -58 )
ASP( 1 A -57 )
ARG( 1 A -56 )
PHE( 1 A -55 )
ASN( 1 A -54 )
VAL( 1 A -53 )
ARG( 1 A -52 )
ARG( 1 A -51 )
PHE( 1 A -50 )
PRO( 1 A -49 )
ALA( 1 A -48 )
THR( 1 A -47 )
LEU( 1 A -46 )
VAL( 1 A -45 )
PHE( 1 A -44 )
THR( 1 A -43 )
ASP( 1 A -42 )
GLY( 1 A -41 )
LYS( 1 A -40 )
LEU( 1 A -39 )
ARG( 1 A -38 )
GLY( 1 A -37 )
ALA( 1 A -36 )
LEU( 1 A -35 )
SER( 1 A -34 )
GLY( 1 A -33 )
ILE( 1 A -32 )
HIS( 1 A -31 )
PRO( 1 A -30 )
TRP( 1 A -29 )
ALA( 1 A -28 )
GLU( 1 A -27 )
LEU( 1 A -26 )
LEU( 1 A -25 )
THR( 1 A -24 )
LEU( 1 A -23 )
MET( 1 A -22 )
ARG( 1 A -21 )
SER( 1 A -20 )
ILE( 1 A -19 )
VAL( 1 A -18 )
ASP( 1 A -17 )
THR( 1 A -16 )
PRO( 1 A -15 )
ALA( 1 A -14 )
ALA( 1 A -13 )
GLN( 1 A -12 )
GLU( 1 A -11 )
THR( 1 A -10 )
VAL( 1 A -9 )
GLN( 1 A -8 )
LEU( 1 A -7 )
GLU( 1 A -6 )
HIS( 1 A -5 )
HIS( 1 A -4 )
HIS( 1 A -3 )
HIS( 1 A -2 )
HIS( 1 A -1 )
HIS( 1 A 0 )
MET( 2 A-141 )
ALA( 2 A-140 )
ASN( 2 A-139 )
ASP( 2 A-138 )
THR( 2 A-137 )
PRO( 2 A-136 )
PHE( 2 A-135 )
SER( 2 A-134 )
ALA( 2 A-133 )
LEU( 2 A-132 )
TRP( 2 A-131 )
GLN( 2 A-130 )
ARG( 2 A-129 )
LEU( 2 A-128 )
LEU( 2 A-127 )
THR( 2 A-126 )
ARG( 2 A-125 )
GLY( 2 A-124 )
TRP( 2 A-123 )
GLN( 2 A-122 )
PRO( 2 A-121 )
VAL( 2 A-120 )
GLU( 2 A-119 )
ALA( 2 A-118 )
SER( 2 A-117 )
THR( 2 A-116 )
VAL( 2 A-115 )
ASP( 2 A-114 )
ASP( 2 A-113 )
TRP( 2 A-112 )
ILE( 2 A-111 )
LYS( 2 A-110 )
ARG( 2 A-109 )
VAL( 2 A-108 )
GLY( 2 A-107 )
ASP( 2 A-106 )
GLY( 2 A-105 )
VAL( 2 A-104 )
ILE( 2 A-103 )
LEU( 2 A-102 )
LEU( 2 A-101 )
SER( 2 A-100 )
SER( 2 A -99 )
ASP( 2 A -98 )
PRO( 2 A -97 )
ARG( 2 A -96 )
ARG( 2 A -95 )
THR( 2 A -94 )
PRO( 2 A -93 )
GLU( 2 A -92 )
VAL( 2 A -91 )
SER( 2 A -90 )
ASP( 2 A -89 )
ASN( 2 A -88 )
PRO( 2 A -87 )
VAL( 2 A -86 )
MET( 2 A -85 )
ILE( 2 A -84 )
ALA( 2 A -83 )
GLU( 2 A -82 )
LEU( 2 A -81 )
LEU( 2 A -80 )
ARG( 2 A -79 )
GLU( 2 A -78 )
PHE( 2 A -77 )
PRO( 2 A -76 )
GLN( 2 A -75 )
PHE( 2 A -74 )
ASP( 2 A -73 )
TRP( 2 A -72 )
GLN( 2 A -71 )
VAL( 2 A -70 )
ALA( 2 A -69 )
VAL( 2 A -68 )
ALA( 2 A -67 )
ASP( 2 A -66 )
LEU( 2 A -65 )
GLU( 2 A -64 )
GLN( 2 A -63 )
SER( 2 A -62 )
GLU( 2 A -61 )
ALA( 2 A -60 )
ILE( 2 A -59 )
GLY( 2 A -58 )
ASP( 2 A -57 )
ARG( 2 A -56 )
PHE( 2 A -55 )
ASN( 2 A -54 )
VAL( 2 A -53 )
ARG( 2 A -52 )
ARG( 2 A -51 )
PHE( 2 A -50 )
PRO( 2 A -49 )
ALA( 2 A -48 )
THR( 2 A -47 )
LEU( 2 A -46 )
VAL( 2 A -45 )
PHE( 2 A -44 )
THR( 2 A -43 )
ASP( 2 A -42 )
GLY( 2 A -41 )
LYS( 2 A -40 )
LEU( 2 A -39 )
ARG( 2 A -38 )
GLY( 2 A -37 )
ALA( 2 A -36 )
LEU( 2 A -35 )
SER( 2 A -34 )
GLY( 2 A -33 )
ILE( 2 A -32 )
HIS( 2 A -31 )
PRO( 2 A -30 )
TRP( 2 A -29 )
ALA( 2 A -28 )
GLU( 2 A -27 )
LEU( 2 A -26 )
LEU( 2 A -25 )
THR( 2 A -24 )
LEU( 2 A -23 )
MET( 2 A -22 )
ARG( 2 A -21 )
SER( 2 A -20 )
ILE( 2 A -19 )
VAL( 2 A -18 )
ASP( 2 A -17 )
THR( 2 A -16 )
PRO( 2 A -15 )
ALA( 2 A -14 )
ALA( 2 A -13 )
GLN( 2 A -12 )
GLU( 2 A -11 )
THR( 2 A -10 )
VAL( 2 A -9 )
GLN( 2 A -8 )
LEU( 2 A -7 )
GLU( 2 A -6 )
HIS( 2 A -5 )
HIS( 2 A -4 )
HIS( 2 A -3 )
HIS( 2 A -2 )
HIS( 2 A -1 )
HIS( 2 A 0 )
MET( 3 A-141 )
ALA( 3 A-140 )
ASN( 3 A-139 )
ASP( 3 A-138 )
THR( 3 A-137 )
PRO( 3 A-136 )
PHE( 3 A-135 )
SER( 3 A-134 )
ALA( 3 A-133 )
LEU( 3 A-132 )
TRP( 3 A-131 )
GLN( 3 A-130 )
ARG( 3 A-129 )
LEU( 3 A-128 )
LEU( 3 A-127 )
THR( 3 A-126 )
ARG( 3 A-125 )
GLY( 3 A-124 )
TRP( 3 A-123 )
GLN( 3 A-122 )
PRO( 3 A-121 )
VAL( 3 A-120 )
GLU( 3 A-119 )
ALA( 3 A-118 )
SER( 3 A-117 )
THR( 3 A-116 )
VAL( 3 A-115 )
ASP( 3 A-114 )
ASP( 3 A-113 )
TRP( 3 A-112 )
ILE( 3 A-111 )
LYS( 3 A-110 )
ARG( 3 A-109 )
VAL( 3 A-108 )
GLY( 3 A-107 )
ASP( 3 A-106 )
GLY( 3 A-105 )
VAL( 3 A-104 )
ILE( 3 A-103 )
LEU( 3 A-102 )
LEU( 3 A-101 )
SER( 3 A-100 )
SER( 3 A -99 )
ASP( 3 A -98 )
PRO( 3 A -97 )
ARG( 3 A -96 )
ARG( 3 A -95 )
THR( 3 A -94 )
PRO( 3 A -93 )
GLU( 3 A -92 )
VAL( 3 A -91 )
SER( 3 A -90 )
ASP( 3 A -89 )
ASN( 3 A -88 )
PRO( 3 A -87 )
VAL( 3 A -86 )
MET( 3 A -85 )
ILE( 3 A -84 )
ALA( 3 A -83 )
GLU( 3 A -82 )
LEU( 3 A -81 )
LEU( 3 A -80 )
ARG( 3 A -79 )
GLU( 3 A -78 )
PHE( 3 A -77 )
PRO( 3 A -76 )
GLN( 3 A -75 )
PHE( 3 A -74 )
ASP( 3 A -73 )
TRP( 3 A -72 )
GLN( 3 A -71 )
VAL( 3 A -70 )
ALA( 3 A -69 )
VAL( 3 A -68 )
ALA( 3 A -67 )
ASP( 3 A -66 )
LEU( 3 A -65 )
GLU( 3 A -64 )
GLN( 3 A -63 )
SER( 3 A -62 )
GLU( 3 A -61 )
ALA( 3 A -60 )
ILE( 3 A -59 )
GLY( 3 A -58 )
ASP( 3 A -57 )
ARG( 3 A -56 )
PHE( 3 A -55 )
ASN( 3 A -54 )
VAL( 3 A -53 )
ARG( 3 A -52 )
ARG( 3 A -51 )
PHE( 3 A -50 )
PRO( 3 A -49 )
ALA( 3 A -48 )
THR( 3 A -47 )
LEU( 3 A -46 )
VAL( 3 A -45 )
PHE( 3 A -44 )
THR( 3 A -43 )
ASP( 3 A -42 )
GLY( 3 A -41 )
LYS( 3 A -40 )
LEU( 3 A -39 )
ARG( 3 A -38 )
GLY( 3 A -37 )
ALA( 3 A -36 )
LEU( 3 A -35 )
SER( 3 A -34 )
GLY( 3 A -33 )
ILE( 3 A -32 )
HIS( 3 A -31 )
PRO( 3 A -30 )
TRP( 3 A -29 )
ALA( 3 A -28 )
GLU( 3 A -27 )
LEU( 3 A -26 )
LEU( 3 A -25 )
THR( 3 A -24 )
LEU( 3 A -23 )
MET( 3 A -22 )
ARG( 3 A -21 )
SER( 3 A -20 )
ILE( 3 A -19 )
VAL( 3 A -18 )
ASP( 3 A -17 )
THR( 3 A -16 )
PRO( 3 A -15 )
ALA( 3 A -14 )
ALA( 3 A -13 )
GLN( 3 A -12 )
GLU( 3 A -11 )
THR( 3 A -10 )
VAL( 3 A -9 )
GLN( 3 A -8 )
LEU( 3 A -7 )
GLU( 3 A -6 )
HIS( 3 A -5 )
HIS( 3 A -4 )
HIS( 3 A -3 )
HIS( 3 A -2 )
HIS( 3 A -1 )
HIS( 3 A 0 )
MET( 4 A-141 )
ALA( 4 A-140 )
ASN( 4 A-139 )
ASP( 4 A-138 )
THR( 4 A-137 )
PRO( 4 A-136 )
PHE( 4 A-135 )
SER( 4 A-134 )
ALA( 4 A-133 )
LEU( 4 A-132 )
TRP( 4 A-131 )
GLN( 4 A-130 )
ARG( 4 A-129 )
LEU( 4 A-128 )
LEU( 4 A-127 )
THR( 4 A-126 )
ARG( 4 A-125 )
GLY( 4 A-124 )
TRP( 4 A-123 )
GLN( 4 A-122 )
PRO( 4 A-121 )
VAL( 4 A-120 )
GLU( 4 A-119 )
ALA( 4 A-118 )
SER( 4 A-117 )
THR( 4 A-116 )
VAL( 4 A-115 )
ASP( 4 A-114 )
ASP( 4 A-113 )
TRP( 4 A-112 )
ILE( 4 A-111 )
LYS( 4 A-110 )
ARG( 4 A-109 )
VAL( 4 A-108 )
GLY( 4 A-107 )
ASP( 4 A-106 )
GLY( 4 A-105 )
VAL( 4 A-104 )
ILE( 4 A-103 )
LEU( 4 A-102 )
LEU( 4 A-101 )
SER( 4 A-100 )
SER( 4 A -99 )
ASP( 4 A -98 )
PRO( 4 A -97 )
ARG( 4 A -96 )
ARG( 4 A -95 )
THR( 4 A -94 )
PRO( 4 A -93 )
GLU( 4 A -92 )
VAL( 4 A -91 )
SER( 4 A -90 )
ASP( 4 A -89 )
ASN( 4 A -88 )
PRO( 4 A -87 )
VAL( 4 A -86 )
MET( 4 A -85 )
ILE( 4 A -84 )
ALA( 4 A -83 )
GLU( 4 A -82 )
LEU( 4 A -81 )
LEU( 4 A -80 )
ARG( 4 A -79 )
GLU( 4 A -78 )
PHE( 4 A -77 )
PRO( 4 A -76 )
GLN( 4 A -75 )
PHE( 4 A -74 )
ASP( 4 A -73 )
TRP( 4 A -72 )
GLN( 4 A -71 )
VAL( 4 A -70 )
ALA( 4 A -69 )
VAL( 4 A -68 )
ALA( 4 A -67 )
ASP( 4 A -66 )
LEU( 4 A -65 )
GLU( 4 A -64 )
GLN( 4 A -63 )
SER( 4 A -62 )
GLU( 4 A -61 )
ALA( 4 A -60 )
ILE( 4 A -59 )
GLY( 4 A -58 )
ASP( 4 A -57 )
ARG( 4 A -56 )
PHE( 4 A -55 )
ASN( 4 A -54 )
VAL( 4 A -53 )
ARG( 4 A -52 )
ARG( 4 A -51 )
PHE( 4 A -50 )
PRO( 4 A -49 )
ALA( 4 A -48 )
THR( 4 A -47 )
LEU( 4 A -46 )
VAL( 4 A -45 )
PHE( 4 A -44 )
THR( 4 A -43 )
ASP( 4 A -42 )
GLY( 4 A -41 )
LYS( 4 A -40 )
LEU( 4 A -39 )
ARG( 4 A -38 )
GLY( 4 A -37 )
ALA( 4 A -36 )
LEU( 4 A -35 )
SER( 4 A -34 )
GLY( 4 A -33 )
ILE( 4 A -32 )
HIS( 4 A -31 )
PRO( 4 A -30 )
TRP( 4 A -29 )
ALA( 4 A -28 )
GLU( 4 A -27 )
LEU( 4 A -26 )
LEU( 4 A -25 )
THR( 4 A -24 )
LEU( 4 A -23 )
MET( 4 A -22 )
ARG( 4 A -21 )
SER( 4 A -20 )
ILE( 4 A -19 )
VAL( 4 A -18 )
ASP( 4 A -17 )
THR( 4 A -16 )
PRO( 4 A -15 )
ALA( 4 A -14 )
ALA( 4 A -13 )
GLN( 4 A -12 )
GLU( 4 A -11 )
THR( 4 A -10 )
VAL( 4 A -9 )
GLN( 4 A -8 )
LEU( 4 A -7 )
GLU( 4 A -6 )
HIS( 4 A -5 )
HIS( 4 A -4 )
HIS( 4 A -3 )
HIS( 4 A -2 )
HIS( 4 A -1 )
HIS( 4 A 0 )
MET( 5 A-141 )
ALA( 5 A-140 )
ASN( 5 A-139 )
ASP( 5 A-138 )
THR( 5 A-137 )
PRO( 5 A-136 )
PHE( 5 A-135 )
SER( 5 A-134 )
ALA( 5 A-133 )
LEU( 5 A-132 )
TRP( 5 A-131 )
GLN( 5 A-130 )
ARG( 5 A-129 )
LEU( 5 A-128 )
LEU( 5 A-127 )
THR( 5 A-126 )
ARG( 5 A-125 )
GLY( 5 A-124 )
TRP( 5 A-123 )
GLN( 5 A-122 )
PRO( 5 A-121 )
VAL( 5 A-120 )
GLU( 5 A-119 )
ALA( 5 A-118 )
SER( 5 A-117 )
THR( 5 A-116 )
VAL( 5 A-115 )
ASP( 5 A-114 )
ASP( 5 A-113 )
TRP( 5 A-112 )
ILE( 5 A-111 )
LYS( 5 A-110 )
ARG( 5 A-109 )
VAL( 5 A-108 )
GLY( 5 A-107 )
ASP( 5 A-106 )
GLY( 5 A-105 )
VAL( 5 A-104 )
ILE( 5 A-103 )
LEU( 5 A-102 )
LEU( 5 A-101 )
SER( 5 A-100 )
SER( 5 A -99 )
ASP( 5 A -98 )
PRO( 5 A -97 )
ARG( 5 A -96 )
ARG( 5 A -95 )
THR( 5 A -94 )
PRO( 5 A -93 )
GLU( 5 A -92 )
VAL( 5 A -91 )
SER( 5 A -90 )
ASP( 5 A -89 )
ASN( 5 A -88 )
PRO( 5 A -87 )
VAL( 5 A -86 )
MET( 5 A -85 )
ILE( 5 A -84 )
ALA( 5 A -83 )
GLU( 5 A -82 )
LEU( 5 A -81 )
LEU( 5 A -80 )
ARG( 5 A -79 )
GLU( 5 A -78 )
PHE( 5 A -77 )
PRO( 5 A -76 )
GLN( 5 A -75 )
PHE( 5 A -74 )
ASP( 5 A -73 )
TRP( 5 A -72 )
GLN( 5 A -71 )
VAL( 5 A -70 )
ALA( 5 A -69 )
VAL( 5 A -68 )
ALA( 5 A -67 )
ASP( 5 A -66 )
LEU( 5 A -65 )
GLU( 5 A -64 )
GLN( 5 A -63 )
SER( 5 A -62 )
GLU( 5 A -61 )
ALA( 5 A -60 )
ILE( 5 A -59 )
GLY( 5 A -58 )
ASP( 5 A -57 )
ARG( 5 A -56 )
PHE( 5 A -55 )
ASN( 5 A -54 )
VAL( 5 A -53 )
ARG( 5 A -52 )
ARG( 5 A -51 )
PHE( 5 A -50 )
PRO( 5 A -49 )
ALA( 5 A -48 )
THR( 5 A -47 )
LEU( 5 A -46 )
VAL( 5 A -45 )
PHE( 5 A -44 )
THR( 5 A -43 )
ASP( 5 A -42 )
GLY( 5 A -41 )
LYS( 5 A -40 )
LEU( 5 A -39 )
ARG( 5 A -38 )
GLY( 5 A -37 )
ALA( 5 A -36 )
LEU( 5 A -35 )
SER( 5 A -34 )
GLY( 5 A -33 )
ILE( 5 A -32 )
HIS( 5 A -31 )
PRO( 5 A -30 )
TRP( 5 A -29 )
ALA( 5 A -28 )
GLU( 5 A -27 )
LEU( 5 A -26 )
LEU( 5 A -25 )
THR( 5 A -24 )
LEU( 5 A -23 )
MET( 5 A -22 )
ARG( 5 A -21 )
SER( 5 A -20 )
ILE( 5 A -19 )
VAL( 5 A -18 )
ASP( 5 A -17 )
THR( 5 A -16 )
PRO( 5 A -15 )
ALA( 5 A -14 )
ALA( 5 A -13 )
GLN( 5 A -12 )
GLU( 5 A -11 )
THR( 5 A -10 )
VAL( 5 A -9 )
GLN( 5 A -8 )
LEU( 5 A -7 )
GLU( 5 A -6 )
HIS( 5 A -5 )
HIS( 5 A -4 )
HIS( 5 A -3 )
HIS( 5 A -2 )
HIS( 5 A -1 )
HIS( 5 A 0 )
MET( 6 A-141 )
ALA( 6 A-140 )
ASN( 6 A-139 )
ASP( 6 A-138 )
THR( 6 A-137 )
PRO( 6 A-136 )
PHE( 6 A-135 )
SER( 6 A-134 )
ALA( 6 A-133 )
LEU( 6 A-132 )
TRP( 6 A-131 )
GLN( 6 A-130 )
ARG( 6 A-129 )
LEU( 6 A-128 )
LEU( 6 A-127 )
THR( 6 A-126 )
ARG( 6 A-125 )
GLY( 6 A-124 )
TRP( 6 A-123 )
GLN( 6 A-122 )
PRO( 6 A-121 )
VAL( 6 A-120 )
GLU( 6 A-119 )
ALA( 6 A-118 )
SER( 6 A-117 )
THR( 6 A-116 )
VAL( 6 A-115 )
ASP( 6 A-114 )
ASP( 6 A-113 )
TRP( 6 A-112 )
ILE( 6 A-111 )
LYS( 6 A-110 )
ARG( 6 A-109 )
VAL( 6 A-108 )
GLY( 6 A-107 )
ASP( 6 A-106 )
GLY( 6 A-105 )
VAL( 6 A-104 )
ILE( 6 A-103 )
LEU( 6 A-102 )
LEU( 6 A-101 )
SER( 6 A-100 )
SER( 6 A -99 )
ASP( 6 A -98 )
PRO( 6 A -97 )
ARG( 6 A -96 )
ARG( 6 A -95 )
THR( 6 A -94 )
PRO( 6 A -93 )
GLU( 6 A -92 )
VAL( 6 A -91 )
SER( 6 A -90 )
ASP( 6 A -89 )
ASN( 6 A -88 )
PRO( 6 A -87 )
VAL( 6 A -86 )
MET( 6 A -85 )
ILE( 6 A -84 )
ALA( 6 A -83 )
GLU( 6 A -82 )
LEU( 6 A -81 )
LEU( 6 A -80 )
ARG( 6 A -79 )
GLU( 6 A -78 )
PHE( 6 A -77 )
PRO( 6 A -76 )
GLN( 6 A -75 )
PHE( 6 A -74 )
ASP( 6 A -73 )
TRP( 6 A -72 )
GLN( 6 A -71 )
VAL( 6 A -70 )
ALA( 6 A -69 )
VAL( 6 A -68 )
ALA( 6 A -67 )
ASP( 6 A -66 )
LEU( 6 A -65 )
GLU( 6 A -64 )
GLN( 6 A -63 )
SER( 6 A -62 )
GLU( 6 A -61 )
ALA( 6 A -60 )
ILE( 6 A -59 )
GLY( 6 A -58 )
ASP( 6 A -57 )
ARG( 6 A -56 )
PHE( 6 A -55 )
ASN( 6 A -54 )
VAL( 6 A -53 )
ARG( 6 A -52 )
ARG( 6 A -51 )
PHE( 6 A -50 )
PRO( 6 A -49 )
ALA( 6 A -48 )
THR( 6 A -47 )
LEU( 6 A -46 )
VAL( 6 A -45 )
PHE( 6 A -44 )
THR( 6 A -43 )
ASP( 6 A -42 )
GLY( 6 A -41 )
LYS( 6 A -40 )
LEU( 6 A -39 )
ARG( 6 A -38 )
GLY( 6 A -37 )
ALA( 6 A -36 )
LEU( 6 A -35 )
SER( 6 A -34 )
GLY( 6 A -33 )
ILE( 6 A -32 )
HIS( 6 A -31 )
PRO( 6 A -30 )
TRP( 6 A -29 )
ALA( 6 A -28 )
GLU( 6 A -27 )
LEU( 6 A -26 )
LEU( 6 A -25 )
THR( 6 A -24 )
LEU( 6 A -23 )
MET( 6 A -22 )
ARG( 6 A -21 )
SER( 6 A -20 )
ILE( 6 A -19 )
VAL( 6 A -18 )
ASP( 6 A -17 )
THR( 6 A -16 )
PRO( 6 A -15 )
ALA( 6 A -14 )
ALA( 6 A -13 )
GLN( 6 A -12 )
GLU( 6 A -11 )
THR( 6 A -10 )
VAL( 6 A -9 )
GLN( 6 A -8 )
LEU( 6 A -7 )
GLU( 6 A -6 )
HIS( 6 A -5 )
HIS( 6 A -4 )
HIS( 6 A -3 )
HIS( 6 A -2 )
HIS( 6 A -1 )
HIS( 6 A 0 )
MET( 7 A-141 )
ALA( 7 A-140 )
ASN( 7 A-139 )
ASP( 7 A-138 )
THR( 7 A-137 )
PRO( 7 A-136 )
PHE( 7 A-135 )
SER( 7 A-134 )
ALA( 7 A-133 )
LEU( 7 A-132 )
TRP( 7 A-131 )
GLN( 7 A-130 )
ARG( 7 A-129 )
LEU( 7 A-128 )
LEU( 7 A-127 )
THR( 7 A-126 )
ARG( 7 A-125 )
GLY( 7 A-124 )
TRP( 7 A-123 )
GLN( 7 A-122 )
PRO( 7 A-121 )
VAL( 7 A-120 )
GLU( 7 A-119 )
ALA( 7 A-118 )
SER( 7 A-117 )
THR( 7 A-116 )
VAL( 7 A-115 )
ASP( 7 A-114 )
ASP( 7 A-113 )
TRP( 7 A-112 )
ILE( 7 A-111 )
LYS( 7 A-110 )
ARG( 7 A-109 )
VAL( 7 A-108 )
GLY( 7 A-107 )
ASP( 7 A-106 )
GLY( 7 A-105 )
VAL( 7 A-104 )
ILE( 7 A-103 )
LEU( 7 A-102 )
LEU( 7 A-101 )
SER( 7 A-100 )
SER( 7 A -99 )
ASP( 7 A -98 )
PRO( 7 A -97 )
ARG( 7 A -96 )
ARG( 7 A -95 )
THR( 7 A -94 )
PRO( 7 A -93 )
GLU( 7 A -92 )
VAL( 7 A -91 )
SER( 7 A -90 )
ASP( 7 A -89 )
ASN( 7 A -88 )
PRO( 7 A -87 )
VAL( 7 A -86 )
MET( 7 A -85 )
ILE( 7 A -84 )
ALA( 7 A -83 )
GLU( 7 A -82 )
LEU( 7 A -81 )
LEU( 7 A -80 )
ARG( 7 A -79 )
GLU( 7 A -78 )
PHE( 7 A -77 )
PRO( 7 A -76 )
GLN( 7 A -75 )
PHE( 7 A -74 )
ASP( 7 A -73 )
TRP( 7 A -72 )
GLN( 7 A -71 )
VAL( 7 A -70 )
ALA( 7 A -69 )
VAL( 7 A -68 )
ALA( 7 A -67 )
ASP( 7 A -66 )
LEU( 7 A -65 )
GLU( 7 A -64 )
GLN( 7 A -63 )
SER( 7 A -62 )
GLU( 7 A -61 )
ALA( 7 A -60 )
ILE( 7 A -59 )
GLY( 7 A -58 )
ASP( 7 A -57 )
ARG( 7 A -56 )
PHE( 7 A -55 )
ASN( 7 A -54 )
VAL( 7 A -53 )
ARG( 7 A -52 )
ARG( 7 A -51 )
PHE( 7 A -50 )
PRO( 7 A -49 )
ALA( 7 A -48 )
THR( 7 A -47 )
LEU( 7 A -46 )
VAL( 7 A -45 )
PHE( 7 A -44 )
THR( 7 A -43 )
ASP( 7 A -42 )
GLY( 7 A -41 )
LYS( 7 A -40 )
LEU( 7 A -39 )
ARG( 7 A -38 )
GLY( 7 A -37 )
ALA( 7 A -36 )
LEU( 7 A -35 )
SER( 7 A -34 )
GLY( 7 A -33 )
ILE( 7 A -32 )
HIS( 7 A -31 )
PRO( 7 A -30 )
TRP( 7 A -29 )
ALA( 7 A -28 )
GLU( 7 A -27 )
LEU( 7 A -26 )
LEU( 7 A -25 )
THR( 7 A -24 )
LEU( 7 A -23 )
MET( 7 A -22 )
ARG( 7 A -21 )
SER( 7 A -20 )
ILE( 7 A -19 )
VAL( 7 A -18 )
ASP( 7 A -17 )
THR( 7 A -16 )
PRO( 7 A -15 )
ALA( 7 A -14 )
ALA( 7 A -13 )
GLN( 7 A -12 )
GLU( 7 A -11 )
THR( 7 A -10 )
VAL( 7 A -9 )
GLN( 7 A -8 )
LEU( 7 A -7 )
GLU( 7 A -6 )
HIS( 7 A -5 )
HIS( 7 A -4 )
HIS( 7 A -3 )
HIS( 7 A -2 )
HIS( 7 A -1 )
HIS( 7 A 0 )
MET( 8 A-141 )
ALA( 8 A-140 )
ASN( 8 A-139 )
ASP( 8 A-138 )
THR( 8 A-137 )
PRO( 8 A-136 )
PHE( 8 A-135 )
SER( 8 A-134 )
ALA( 8 A-133 )
LEU( 8 A-132 )
TRP( 8 A-131 )
GLN( 8 A-130 )
ARG( 8 A-129 )
LEU( 8 A-128 )
LEU( 8 A-127 )
THR( 8 A-126 )
ARG( 8 A-125 )
GLY( 8 A-124 )
TRP( 8 A-123 )
GLN( 8 A-122 )
PRO( 8 A-121 )
VAL( 8 A-120 )
GLU( 8 A-119 )
ALA( 8 A-118 )
SER( 8 A-117 )
THR( 8 A-116 )
VAL( 8 A-115 )
ASP( 8 A-114 )
ASP( 8 A-113 )
TRP( 8 A-112 )
ILE( 8 A-111 )
LYS( 8 A-110 )
ARG( 8 A-109 )
VAL( 8 A-108 )
GLY( 8 A-107 )
ASP( 8 A-106 )
GLY( 8 A-105 )
VAL( 8 A-104 )
ILE( 8 A-103 )
LEU( 8 A-102 )
LEU( 8 A-101 )
SER( 8 A-100 )
SER( 8 A -99 )
ASP( 8 A -98 )
PRO( 8 A -97 )
ARG( 8 A -96 )
ARG( 8 A -95 )
THR( 8 A -94 )
PRO( 8 A -93 )
GLU( 8 A -92 )
VAL( 8 A -91 )
SER( 8 A -90 )
ASP( 8 A -89 )
ASN( 8 A -88 )
PRO( 8 A -87 )
VAL( 8 A -86 )
MET( 8 A -85 )
ILE( 8 A -84 )
ALA( 8 A -83 )
GLU( 8 A -82 )
LEU( 8 A -81 )
LEU( 8 A -80 )
ARG( 8 A -79 )
GLU( 8 A -78 )
PHE( 8 A -77 )
PRO( 8 A -76 )
GLN( 8 A -75 )
PHE( 8 A -74 )
ASP( 8 A -73 )
TRP( 8 A -72 )
GLN( 8 A -71 )
VAL( 8 A -70 )
ALA( 8 A -69 )
VAL( 8 A -68 )
ALA( 8 A -67 )
ASP( 8 A -66 )
LEU( 8 A -65 )
GLU( 8 A -64 )
GLN( 8 A -63 )
SER( 8 A -62 )
GLU( 8 A -61 )
ALA( 8 A -60 )
ILE( 8 A -59 )
GLY( 8 A -58 )
ASP( 8 A -57 )
ARG( 8 A -56 )
PHE( 8 A -55 )
ASN( 8 A -54 )
VAL( 8 A -53 )
ARG( 8 A -52 )
ARG( 8 A -51 )
PHE( 8 A -50 )
PRO( 8 A -49 )
ALA( 8 A -48 )
THR( 8 A -47 )
LEU( 8 A -46 )
VAL( 8 A -45 )
PHE( 8 A -44 )
THR( 8 A -43 )
ASP( 8 A -42 )
GLY( 8 A -41 )
LYS( 8 A -40 )
LEU( 8 A -39 )
ARG( 8 A -38 )
GLY( 8 A -37 )
ALA( 8 A -36 )
LEU( 8 A -35 )
SER( 8 A -34 )
GLY( 8 A -33 )
ILE( 8 A -32 )
HIS( 8 A -31 )
PRO( 8 A -30 )
TRP( 8 A -29 )
ALA( 8 A -28 )
GLU( 8 A -27 )
LEU( 8 A -26 )
LEU( 8 A -25 )
THR( 8 A -24 )
LEU( 8 A -23 )
MET( 8 A -22 )
ARG( 8 A -21 )
SER( 8 A -20 )
ILE( 8 A -19 )
VAL( 8 A -18 )
ASP( 8 A -17 )
THR( 8 A -16 )
PRO( 8 A -15 )
ALA( 8 A -14 )
ALA( 8 A -13 )
GLN( 8 A -12 )
GLU( 8 A -11 )
THR( 8 A -10 )
VAL( 8 A -9 )
GLN( 8 A -8 )
LEU( 8 A -7 )
GLU( 8 A -6 )
HIS( 8 A -5 )
HIS( 8 A -4 )
HIS( 8 A -3 )
HIS( 8 A -2 )
HIS( 8 A -1 )
HIS( 8 A 0 )
MET( 9 A-141 )
ALA( 9 A-140 )
ASN( 9 A-139 )
ASP( 9 A-138 )
THR( 9 A-137 )
PRO( 9 A-136 )
PHE( 9 A-135 )
SER( 9 A-134 )
ALA( 9 A-133 )
LEU( 9 A-132 )
TRP( 9 A-131 )
GLN( 9 A-130 )
ARG( 9 A-129 )
LEU( 9 A-128 )
LEU( 9 A-127 )
THR( 9 A-126 )
ARG( 9 A-125 )
GLY( 9 A-124 )
TRP( 9 A-123 )
GLN( 9 A-122 )
PRO( 9 A-121 )
VAL( 9 A-120 )
GLU( 9 A-119 )
ALA( 9 A-118 )
SER( 9 A-117 )
THR( 9 A-116 )
VAL( 9 A-115 )
ASP( 9 A-114 )
ASP( 9 A-113 )
TRP( 9 A-112 )
ILE( 9 A-111 )
LYS( 9 A-110 )
ARG( 9 A-109 )
VAL( 9 A-108 )
GLY( 9 A-107 )
ASP( 9 A-106 )
GLY( 9 A-105 )
VAL( 9 A-104 )
ILE( 9 A-103 )
LEU( 9 A-102 )
LEU( 9 A-101 )
SER( 9 A-100 )
SER( 9 A -99 )
ASP( 9 A -98 )
PRO( 9 A -97 )
ARG( 9 A -96 )
ARG( 9 A -95 )
THR( 9 A -94 )
PRO( 9 A -93 )
GLU( 9 A -92 )
VAL( 9 A -91 )
SER( 9 A -90 )
ASP( 9 A -89 )
ASN( 9 A -88 )
PRO( 9 A -87 )
VAL( 9 A -86 )
MET( 9 A -85 )
ILE( 9 A -84 )
ALA( 9 A -83 )
GLU( 9 A -82 )
LEU( 9 A -81 )
LEU( 9 A -80 )
ARG( 9 A -79 )
GLU( 9 A -78 )
PHE( 9 A -77 )
PRO( 9 A -76 )
GLN( 9 A -75 )
PHE( 9 A -74 )
ASP( 9 A -73 )
TRP( 9 A -72 )
GLN( 9 A -71 )
VAL( 9 A -70 )
ALA( 9 A -69 )
VAL( 9 A -68 )
ALA( 9 A -67 )
ASP( 9 A -66 )
LEU( 9 A -65 )
GLU( 9 A -64 )
GLN( 9 A -63 )
SER( 9 A -62 )
GLU( 9 A -61 )
ALA( 9 A -60 )
ILE( 9 A -59 )
GLY( 9 A -58 )
ASP( 9 A -57 )
ARG( 9 A -56 )
PHE( 9 A -55 )
ASN( 9 A -54 )
VAL( 9 A -53 )
ARG( 9 A -52 )
ARG( 9 A -51 )
PHE( 9 A -50 )
PRO( 9 A -49 )
ALA( 9 A -48 )
THR( 9 A -47 )
LEU( 9 A -46 )
VAL( 9 A -45 )
PHE( 9 A -44 )
THR( 9 A -43 )
ASP( 9 A -42 )
GLY( 9 A -41 )
LYS( 9 A -40 )
LEU( 9 A -39 )
ARG( 9 A -38 )
GLY( 9 A -37 )
ALA( 9 A -36 )
LEU( 9 A -35 )
SER( 9 A -34 )
GLY( 9 A -33 )
ILE( 9 A -32 )
HIS( 9 A -31 )
PRO( 9 A -30 )
TRP( 9 A -29 )
ALA( 9 A -28 )
GLU( 9 A -27 )
LEU( 9 A -26 )
LEU( 9 A -25 )
THR( 9 A -24 )
LEU( 9 A -23 )
MET( 9 A -22 )
ARG( 9 A -21 )
SER( 9 A -20 )
ILE( 9 A -19 )
VAL( 9 A -18 )
ASP( 9 A -17 )
THR( 9 A -16 )
PRO( 9 A -15 )
ALA( 9 A -14 )
ALA( 9 A -13 )
GLN( 9 A -12 )
GLU( 9 A -11 )
THR( 9 A -10 )
VAL( 9 A -9 )
GLN( 9 A -8 )
LEU( 9 A -7 )
GLU( 9 A -6 )
HIS( 9 A -5 )
HIS( 9 A -4 )
HIS( 9 A -3 )
HIS( 9 A -2 )
HIS( 9 A -1 )
HIS( 9 A 0 )
MET( 10 A-141 )
ALA( 10 A-140 )
ASN( 10 A-139 )
ASP( 10 A-138 )
THR( 10 A-137 )
PRO( 10 A-136 )
PHE( 10 A-135 )
SER( 10 A-134 )
ALA( 10 A-133 )
LEU( 10 A-132 )
TRP( 10 A-131 )
GLN( 10 A-130 )
ARG( 10 A-129 )
LEU( 10 A-128 )
LEU( 10 A-127 )
THR( 10 A-126 )
ARG( 10 A-125 )
GLY( 10 A-124 )
TRP( 10 A-123 )
GLN( 10 A-122 )
PRO( 10 A-121 )
VAL( 10 A-120 )
GLU( 10 A-119 )
ALA( 10 A-118 )
SER( 10 A-117 )
THR( 10 A-116 )
VAL( 10 A-115 )
ASP( 10 A-114 )
ASP( 10 A-113 )
TRP( 10 A-112 )
ILE( 10 A-111 )
LYS( 10 A-110 )
ARG( 10 A-109 )
VAL( 10 A-108 )
GLY( 10 A-107 )
ASP( 10 A-106 )
GLY( 10 A-105 )
VAL( 10 A-104 )
ILE( 10 A-103 )
LEU( 10 A-102 )
LEU( 10 A-101 )
SER( 10 A-100 )
SER( 10 A -99 )
ASP( 10 A -98 )
PRO( 10 A -97 )
ARG( 10 A -96 )
ARG( 10 A -95 )
THR( 10 A -94 )
PRO( 10 A -93 )
GLU( 10 A -92 )
VAL( 10 A -91 )
SER( 10 A -90 )
ASP( 10 A -89 )
ASN( 10 A -88 )
PRO( 10 A -87 )
VAL( 10 A -86 )
MET( 10 A -85 )
ILE( 10 A -84 )
ALA( 10 A -83 )
GLU( 10 A -82 )
LEU( 10 A -81 )
LEU( 10 A -80 )
ARG( 10 A -79 )
GLU( 10 A -78 )
PHE( 10 A -77 )
PRO( 10 A -76 )
GLN( 10 A -75 )
PHE( 10 A -74 )
ASP( 10 A -73 )
TRP( 10 A -72 )
GLN( 10 A -71 )
VAL( 10 A -70 )
ALA( 10 A -69 )
VAL( 10 A -68 )
ALA( 10 A -67 )
ASP( 10 A -66 )
LEU( 10 A -65 )
GLU( 10 A -64 )
GLN( 10 A -63 )
SER( 10 A -62 )
GLU( 10 A -61 )
ALA( 10 A -60 )
ILE( 10 A -59 )
GLY( 10 A -58 )
ASP( 10 A -57 )
ARG( 10 A -56 )
PHE( 10 A -55 )
ASN( 10 A -54 )
VAL( 10 A -53 )
ARG( 10 A -52 )
ARG( 10 A -51 )
PHE( 10 A -50 )
PRO( 10 A -49 )
ALA( 10 A -48 )
THR( 10 A -47 )
LEU( 10 A -46 )
VAL( 10 A -45 )
PHE( 10 A -44 )
THR( 10 A -43 )
ASP( 10 A -42 )
GLY( 10 A -41 )
LYS( 10 A -40 )
LEU( 10 A -39 )
ARG( 10 A -38 )
GLY( 10 A -37 )
ALA( 10 A -36 )
LEU( 10 A -35 )
SER( 10 A -34 )
GLY( 10 A -33 )
ILE( 10 A -32 )
HIS( 10 A -31 )
PRO( 10 A -30 )
TRP( 10 A -29 )
ALA( 10 A -28 )
GLU( 10 A -27 )
LEU( 10 A -26 )
LEU( 10 A -25 )
THR( 10 A -24 )
LEU( 10 A -23 )
MET( 10 A -22 )
ARG( 10 A -21 )
SER( 10 A -20 )
ILE( 10 A -19 )
VAL( 10 A -18 )
ASP( 10 A -17 )
THR( 10 A -16 )
PRO( 10 A -15 )
ALA( 10 A -14 )
ALA( 10 A -13 )
GLN( 10 A -12 )
GLU( 10 A -11 )
THR( 10 A -10 )
VAL( 10 A -9 )
GLN( 10 A -8 )
LEU( 10 A -7 )
GLU( 10 A -6 )
HIS( 10 A -5 )
HIS( 10 A -4 )
HIS( 10 A -3 )
HIS( 10 A -2 )
HIS( 10 A -1 )
HIS( 10 A 0 )
MET( 11 A-141 )
ALA( 11 A-140 )
ASN( 11 A-139 )
ASP( 11 A-138 )
THR( 11 A-137 )
PRO( 11 A-136 )
PHE( 11 A-135 )
SER( 11 A-134 )
ALA( 11 A-133 )
LEU( 11 A-132 )
TRP( 11 A-131 )
GLN( 11 A-130 )
ARG( 11 A-129 )
LEU( 11 A-128 )
LEU( 11 A-127 )
THR( 11 A-126 )
ARG( 11 A-125 )
GLY( 11 A-124 )
TRP( 11 A-123 )
GLN( 11 A-122 )
PRO( 11 A-121 )
VAL( 11 A-120 )
GLU( 11 A-119 )
ALA( 11 A-118 )
SER( 11 A-117 )
THR( 11 A-116 )
VAL( 11 A-115 )
ASP( 11 A-114 )
ASP( 11 A-113 )
TRP( 11 A-112 )
ILE( 11 A-111 )
LYS( 11 A-110 )
ARG( 11 A-109 )
VAL( 11 A-108 )
GLY( 11 A-107 )
ASP( 11 A-106 )
GLY( 11 A-105 )
VAL( 11 A-104 )
ILE( 11 A-103 )
LEU( 11 A-102 )
LEU( 11 A-101 )
SER( 11 A-100 )
SER( 11 A -99 )
ASP( 11 A -98 )
PRO( 11 A -97 )
ARG( 11 A -96 )
ARG( 11 A -95 )
THR( 11 A -94 )
PRO( 11 A -93 )
GLU( 11 A -92 )
VAL( 11 A -91 )
SER( 11 A -90 )
ASP( 11 A -89 )
ASN( 11 A -88 )
PRO( 11 A -87 )
VAL( 11 A -86 )
MET( 11 A -85 )
ILE( 11 A -84 )
ALA( 11 A -83 )
GLU( 11 A -82 )
LEU( 11 A -81 )
LEU( 11 A -80 )
ARG( 11 A -79 )
GLU( 11 A -78 )
PHE( 11 A -77 )
PRO( 11 A -76 )
GLN( 11 A -75 )
PHE( 11 A -74 )
ASP( 11 A -73 )
TRP( 11 A -72 )
GLN( 11 A -71 )
VAL( 11 A -70 )
ALA( 11 A -69 )
VAL( 11 A -68 )
ALA( 11 A -67 )
ASP( 11 A -66 )
LEU( 11 A -65 )
GLU( 11 A -64 )
GLN( 11 A -63 )
SER( 11 A -62 )
GLU( 11 A -61 )
ALA( 11 A -60 )
ILE( 11 A -59 )
GLY( 11 A -58 )
ASP( 11 A -57 )
ARG( 11 A -56 )
PHE( 11 A -55 )
ASN( 11 A -54 )
VAL( 11 A -53 )
ARG( 11 A -52 )
ARG( 11 A -51 )
PHE( 11 A -50 )
PRO( 11 A -49 )
ALA( 11 A -48 )
THR( 11 A -47 )
LEU( 11 A -46 )
VAL( 11 A -45 )
PHE( 11 A -44 )
THR( 11 A -43 )
ASP( 11 A -42 )
GLY( 11 A -41 )
LYS( 11 A -40 )
LEU( 11 A -39 )
ARG( 11 A -38 )
GLY( 11 A -37 )
ALA( 11 A -36 )
LEU( 11 A -35 )
SER( 11 A -34 )
GLY( 11 A -33 )
ILE( 11 A -32 )
HIS( 11 A -31 )
PRO( 11 A -30 )
TRP( 11 A -29 )
ALA( 11 A -28 )
GLU( 11 A -27 )
LEU( 11 A -26 )
LEU( 11 A -25 )
THR( 11 A -24 )
LEU( 11 A -23 )
MET( 11 A -22 )
ARG( 11 A -21 )
SER( 11 A -20 )
ILE( 11 A -19 )
VAL( 11 A -18 )
ASP( 11 A -17 )
THR( 11 A -16 )
PRO( 11 A -15 )
ALA( 11 A -14 )
ALA( 11 A -13 )
GLN( 11 A -12 )
GLU( 11 A -11 )
THR( 11 A -10 )
VAL( 11 A -9 )
GLN( 11 A -8 )
LEU( 11 A -7 )
GLU( 11 A -6 )
HIS( 11 A -5 )
HIS( 11 A -4 )
HIS( 11 A -3 )
HIS( 11 A -2 )
HIS( 11 A -1 )
HIS( 11 A 0 )
MET( 12 A-141 )
ALA( 12 A-140 )
ASN( 12 A-139 )
ASP( 12 A-138 )
THR( 12 A-137 )
PRO( 12 A-136 )
PHE( 12 A-135 )
SER( 12 A-134 )
ALA( 12 A-133 )
LEU( 12 A-132 )
TRP( 12 A-131 )
GLN( 12 A-130 )
ARG( 12 A-129 )
LEU( 12 A-128 )
LEU( 12 A-127 )
THR( 12 A-126 )
ARG( 12 A-125 )
GLY( 12 A-124 )
TRP( 12 A-123 )
GLN( 12 A-122 )
PRO( 12 A-121 )
VAL( 12 A-120 )
GLU( 12 A-119 )
ALA( 12 A-118 )
SER( 12 A-117 )
THR( 12 A-116 )
VAL( 12 A-115 )
ASP( 12 A-114 )
ASP( 12 A-113 )
TRP( 12 A-112 )
ILE( 12 A-111 )
LYS( 12 A-110 )
ARG( 12 A-109 )
VAL( 12 A-108 )
GLY( 12 A-107 )
ASP( 12 A-106 )
GLY( 12 A-105 )
VAL( 12 A-104 )
ILE( 12 A-103 )
LEU( 12 A-102 )
LEU( 12 A-101 )
SER( 12 A-100 )
SER( 12 A -99 )
ASP( 12 A -98 )
PRO( 12 A -97 )
ARG( 12 A -96 )
ARG( 12 A -95 )
THR( 12 A -94 )
PRO( 12 A -93 )
GLU( 12 A -92 )
VAL( 12 A -91 )
SER( 12 A -90 )
ASP( 12 A -89 )
ASN( 12 A -88 )
PRO( 12 A -87 )
VAL( 12 A -86 )
MET( 12 A -85 )
ILE( 12 A -84 )
ALA( 12 A -83 )
GLU( 12 A -82 )
LEU( 12 A -81 )
LEU( 12 A -80 )
ARG( 12 A -79 )
GLU( 12 A -78 )
PHE( 12 A -77 )
PRO( 12 A -76 )
GLN( 12 A -75 )
PHE( 12 A -74 )
ASP( 12 A -73 )
TRP( 12 A -72 )
GLN( 12 A -71 )
VAL( 12 A -70 )
ALA( 12 A -69 )
VAL( 12 A -68 )
ALA( 12 A -67 )
ASP( 12 A -66 )
LEU( 12 A -65 )
GLU( 12 A -64 )
GLN( 12 A -63 )
SER( 12 A -62 )
GLU( 12 A -61 )
ALA( 12 A -60 )
ILE( 12 A -59 )
GLY( 12 A -58 )
ASP( 12 A -57 )
ARG( 12 A -56 )
PHE( 12 A -55 )
ASN( 12 A -54 )
VAL( 12 A -53 )
ARG( 12 A -52 )
ARG( 12 A -51 )
PHE( 12 A -50 )
PRO( 12 A -49 )
ALA( 12 A -48 )
THR( 12 A -47 )
LEU( 12 A -46 )
VAL( 12 A -45 )
PHE( 12 A -44 )
THR( 12 A -43 )
ASP( 12 A -42 )
GLY( 12 A -41 )
LYS( 12 A -40 )
LEU( 12 A -39 )
ARG( 12 A -38 )
GLY( 12 A -37 )
ALA( 12 A -36 )
LEU( 12 A -35 )
SER( 12 A -34 )
GLY( 12 A -33 )
ILE( 12 A -32 )
HIS( 12 A -31 )
PRO( 12 A -30 )
TRP( 12 A -29 )
ALA( 12 A -28 )
GLU( 12 A -27 )
LEU( 12 A -26 )
LEU( 12 A -25 )
THR( 12 A -24 )
LEU( 12 A -23 )
MET( 12 A -22 )
ARG( 12 A -21 )
SER( 12 A -20 )
ILE( 12 A -19 )
VAL( 12 A -18 )
ASP( 12 A -17 )
THR( 12 A -16 )
PRO( 12 A -15 )
ALA( 12 A -14 )
ALA( 12 A -13 )
GLN( 12 A -12 )
GLU( 12 A -11 )
THR( 12 A -10 )
VAL( 12 A -9 )
GLN( 12 A -8 )
LEU( 12 A -7 )
GLU( 12 A -6 )
HIS( 12 A -5 )
HIS( 12 A -4 )
HIS( 12 A -3 )
HIS( 12 A -2 )
HIS( 12 A -1 )
HIS( 12 A 0 )
MET( 13 A-141 )
ALA( 13 A-140 )
ASN( 13 A-139 )
ASP( 13 A-138 )
THR( 13 A-137 )
PRO( 13 A-136 )
PHE( 13 A-135 )
SER( 13 A-134 )
ALA( 13 A-133 )
LEU( 13 A-132 )
TRP( 13 A-131 )
GLN( 13 A-130 )
ARG( 13 A-129 )
LEU( 13 A-128 )
LEU( 13 A-127 )
THR( 13 A-126 )
ARG( 13 A-125 )
GLY( 13 A-124 )
TRP( 13 A-123 )
GLN( 13 A-122 )
PRO( 13 A-121 )
VAL( 13 A-120 )
GLU( 13 A-119 )
ALA( 13 A-118 )
SER( 13 A-117 )
THR( 13 A-116 )
VAL( 13 A-115 )
ASP( 13 A-114 )
ASP( 13 A-113 )
TRP( 13 A-112 )
ILE( 13 A-111 )
LYS( 13 A-110 )
ARG( 13 A-109 )
VAL( 13 A-108 )
GLY( 13 A-107 )
ASP( 13 A-106 )
GLY( 13 A-105 )
VAL( 13 A-104 )
ILE( 13 A-103 )
LEU( 13 A-102 )
LEU( 13 A-101 )
SER( 13 A-100 )
SER( 13 A -99 )
ASP( 13 A -98 )
PRO( 13 A -97 )
ARG( 13 A -96 )
ARG( 13 A -95 )
THR( 13 A -94 )
PRO( 13 A -93 )
GLU( 13 A -92 )
VAL( 13 A -91 )
SER( 13 A -90 )
ASP( 13 A -89 )
ASN( 13 A -88 )
PRO( 13 A -87 )
VAL( 13 A -86 )
MET( 13 A -85 )
ILE( 13 A -84 )
ALA( 13 A -83 )
GLU( 13 A -82 )
LEU( 13 A -81 )
LEU( 13 A -80 )
ARG( 13 A -79 )
GLU( 13 A -78 )
PHE( 13 A -77 )
PRO( 13 A -76 )
GLN( 13 A -75 )
PHE( 13 A -74 )
ASP( 13 A -73 )
TRP( 13 A -72 )
GLN( 13 A -71 )
VAL( 13 A -70 )
ALA( 13 A -69 )
VAL( 13 A -68 )
ALA( 13 A -67 )
ASP( 13 A -66 )
LEU( 13 A -65 )
GLU( 13 A -64 )
GLN( 13 A -63 )
SER( 13 A -62 )
GLU( 13 A -61 )
ALA( 13 A -60 )
ILE( 13 A -59 )
GLY( 13 A -58 )
ASP( 13 A -57 )
ARG( 13 A -56 )
PHE( 13 A -55 )
ASN( 13 A -54 )
VAL( 13 A -53 )
ARG( 13 A -52 )
ARG( 13 A -51 )
PHE( 13 A -50 )
PRO( 13 A -49 )
ALA( 13 A -48 )
THR( 13 A -47 )
LEU( 13 A -46 )
VAL( 13 A -45 )
PHE( 13 A -44 )
THR( 13 A -43 )
ASP( 13 A -42 )
GLY( 13 A -41 )
LYS( 13 A -40 )
LEU( 13 A -39 )
ARG( 13 A -38 )
GLY( 13 A -37 )
ALA( 13 A -36 )
LEU( 13 A -35 )
SER( 13 A -34 )
GLY( 13 A -33 )
ILE( 13 A -32 )
HIS( 13 A -31 )
PRO( 13 A -30 )
TRP( 13 A -29 )
ALA( 13 A -28 )
GLU( 13 A -27 )
LEU( 13 A -26 )
LEU( 13 A -25 )
THR( 13 A -24 )
LEU( 13 A -23 )
MET( 13 A -22 )
ARG( 13 A -21 )
SER( 13 A -20 )
ILE( 13 A -19 )
VAL( 13 A -18 )
ASP( 13 A -17 )
THR( 13 A -16 )
PRO( 13 A -15 )
ALA( 13 A -14 )
ALA( 13 A -13 )
GLN( 13 A -12 )
GLU( 13 A -11 )
THR( 13 A -10 )
VAL( 13 A -9 )
GLN( 13 A -8 )
LEU( 13 A -7 )
GLU( 13 A -6 )
HIS( 13 A -5 )
HIS( 13 A -4 )
HIS( 13 A -3 )
HIS( 13 A -2 )
HIS( 13 A -1 )
HIS( 13 A 0 )
MET( 14 A-141 )
ALA( 14 A-140 )
ASN( 14 A-139 )
ASP( 14 A-138 )
THR( 14 A-137 )
PRO( 14 A-136 )
PHE( 14 A-135 )
SER( 14 A-134 )
ALA( 14 A-133 )
LEU( 14 A-132 )
TRP( 14 A-131 )
GLN( 14 A-130 )
ARG( 14 A-129 )
LEU( 14 A-128 )
LEU( 14 A-127 )
THR( 14 A-126 )
ARG( 14 A-125 )
GLY( 14 A-124 )
TRP( 14 A-123 )
GLN( 14 A-122 )
PRO( 14 A-121 )
VAL( 14 A-120 )
GLU( 14 A-119 )
ALA( 14 A-118 )
SER( 14 A-117 )
THR( 14 A-116 )
VAL( 14 A-115 )
ASP( 14 A-114 )
ASP( 14 A-113 )
TRP( 14 A-112 )
ILE( 14 A-111 )
LYS( 14 A-110 )
ARG( 14 A-109 )
VAL( 14 A-108 )
GLY( 14 A-107 )
ASP( 14 A-106 )
GLY( 14 A-105 )
VAL( 14 A-104 )
ILE( 14 A-103 )
LEU( 14 A-102 )
LEU( 14 A-101 )
SER( 14 A-100 )
SER( 14 A -99 )
ASP( 14 A -98 )
PRO( 14 A -97 )
ARG( 14 A -96 )
ARG( 14 A -95 )
THR( 14 A -94 )
PRO( 14 A -93 )
GLU( 14 A -92 )
VAL( 14 A -91 )
SER( 14 A -90 )
ASP( 14 A -89 )
ASN( 14 A -88 )
PRO( 14 A -87 )
VAL( 14 A -86 )
MET( 14 A -85 )
ILE( 14 A -84 )
ALA( 14 A -83 )
GLU( 14 A -82 )
LEU( 14 A -81 )
LEU( 14 A -80 )
ARG( 14 A -79 )
GLU( 14 A -78 )
PHE( 14 A -77 )
PRO( 14 A -76 )
GLN( 14 A -75 )
PHE( 14 A -74 )
ASP( 14 A -73 )
TRP( 14 A -72 )
GLN( 14 A -71 )
VAL( 14 A -70 )
ALA( 14 A -69 )
VAL( 14 A -68 )
ALA( 14 A -67 )
ASP( 14 A -66 )
LEU( 14 A -65 )
GLU( 14 A -64 )
GLN( 14 A -63 )
SER( 14 A -62 )
GLU( 14 A -61 )
ALA( 14 A -60 )
ILE( 14 A -59 )
GLY( 14 A -58 )
ASP( 14 A -57 )
ARG( 14 A -56 )
PHE( 14 A -55 )
ASN( 14 A -54 )
VAL( 14 A -53 )
ARG( 14 A -52 )
ARG( 14 A -51 )
PHE( 14 A -50 )
PRO( 14 A -49 )
ALA( 14 A -48 )
THR( 14 A -47 )
LEU( 14 A -46 )
VAL( 14 A -45 )
PHE( 14 A -44 )
THR( 14 A -43 )
ASP( 14 A -42 )
GLY( 14 A -41 )
LYS( 14 A -40 )
LEU( 14 A -39 )
ARG( 14 A -38 )
GLY( 14 A -37 )
ALA( 14 A -36 )
LEU( 14 A -35 )
SER( 14 A -34 )
GLY( 14 A -33 )
ILE( 14 A -32 )
HIS( 14 A -31 )
PRO( 14 A -30 )
TRP( 14 A -29 )
ALA( 14 A -28 )
GLU( 14 A -27 )
LEU( 14 A -26 )
LEU( 14 A -25 )
THR( 14 A -24 )
LEU( 14 A -23 )
MET( 14 A -22 )
ARG( 14 A -21 )
SER( 14 A -20 )
ILE( 14 A -19 )
VAL( 14 A -18 )
ASP( 14 A -17 )
THR( 14 A -16 )
PRO( 14 A -15 )
ALA( 14 A -14 )
ALA( 14 A -13 )
GLN( 14 A -12 )
GLU( 14 A -11 )
THR( 14 A -10 )
VAL( 14 A -9 )
GLN( 14 A -8 )
LEU( 14 A -7 )
GLU( 14 A -6 )
HIS( 14 A -5 )
HIS( 14 A -4 )
HIS( 14 A -3 )
HIS( 14 A -2 )
HIS( 14 A -1 )
HIS( 14 A 0 )
MET( 15 A-141 )
ALA( 15 A-140 )
ASN( 15 A-139 )
ASP( 15 A-138 )
THR( 15 A-137 )
PRO( 15 A-136 )
PHE( 15 A-135 )
SER( 15 A-134 )
ALA( 15 A-133 )
LEU( 15 A-132 )
TRP( 15 A-131 )
GLN( 15 A-130 )
ARG( 15 A-129 )
LEU( 15 A-128 )
LEU( 15 A-127 )
THR( 15 A-126 )
ARG( 15 A-125 )
GLY( 15 A-124 )
TRP( 15 A-123 )
GLN( 15 A-122 )
PRO( 15 A-121 )
VAL( 15 A-120 )
GLU( 15 A-119 )
ALA( 15 A-118 )
SER( 15 A-117 )
THR( 15 A-116 )
VAL( 15 A-115 )
ASP( 15 A-114 )
ASP( 15 A-113 )
TRP( 15 A-112 )
ILE( 15 A-111 )
LYS( 15 A-110 )
ARG( 15 A-109 )
VAL( 15 A-108 )
GLY( 15 A-107 )
ASP( 15 A-106 )
GLY( 15 A-105 )
VAL( 15 A-104 )
ILE( 15 A-103 )
LEU( 15 A-102 )
LEU( 15 A-101 )
SER( 15 A-100 )
SER( 15 A -99 )
ASP( 15 A -98 )
PRO( 15 A -97 )
ARG( 15 A -96 )
ARG( 15 A -95 )
THR( 15 A -94 )
PRO( 15 A -93 )
GLU( 15 A -92 )
VAL( 15 A -91 )
SER( 15 A -90 )
ASP( 15 A -89 )
ASN( 15 A -88 )
PRO( 15 A -87 )
VAL( 15 A -86 )
MET( 15 A -85 )
ILE( 15 A -84 )
ALA( 15 A -83 )
GLU( 15 A -82 )
LEU( 15 A -81 )
LEU( 15 A -80 )
ARG( 15 A -79 )
GLU( 15 A -78 )
PHE( 15 A -77 )
PRO( 15 A -76 )
GLN( 15 A -75 )
PHE( 15 A -74 )
ASP( 15 A -73 )
TRP( 15 A -72 )
GLN( 15 A -71 )
VAL( 15 A -70 )
ALA( 15 A -69 )
VAL( 15 A -68 )
ALA( 15 A -67 )
ASP( 15 A -66 )
LEU( 15 A -65 )
GLU( 15 A -64 )
GLN( 15 A -63 )
SER( 15 A -62 )
GLU( 15 A -61 )
ALA( 15 A -60 )
ILE( 15 A -59 )
GLY( 15 A -58 )
ASP( 15 A -57 )
ARG( 15 A -56 )
PHE( 15 A -55 )
ASN( 15 A -54 )
VAL( 15 A -53 )
ARG( 15 A -52 )
ARG( 15 A -51 )
PHE( 15 A -50 )
PRO( 15 A -49 )
ALA( 15 A -48 )
THR( 15 A -47 )
LEU( 15 A -46 )
VAL( 15 A -45 )
PHE( 15 A -44 )
THR( 15 A -43 )
ASP( 15 A -42 )
GLY( 15 A -41 )
LYS( 15 A -40 )
LEU( 15 A -39 )
ARG( 15 A -38 )
GLY( 15 A -37 )
ALA( 15 A -36 )
LEU( 15 A -35 )
SER( 15 A -34 )
GLY( 15 A -33 )
ILE( 15 A -32 )
HIS( 15 A -31 )
PRO( 15 A -30 )
TRP( 15 A -29 )
ALA( 15 A -28 )
GLU( 15 A -27 )
LEU( 15 A -26 )
LEU( 15 A -25 )
THR( 15 A -24 )
LEU( 15 A -23 )
MET( 15 A -22 )
ARG( 15 A -21 )
SER( 15 A -20 )
ILE( 15 A -19 )
VAL( 15 A -18 )
ASP( 15 A -17 )
THR( 15 A -16 )
PRO( 15 A -15 )
ALA( 15 A -14 )
ALA( 15 A -13 )
GLN( 15 A -12 )
GLU( 15 A -11 )
THR( 15 A -10 )
VAL( 15 A -9 )
GLN( 15 A -8 )
LEU( 15 A -7 )
GLU( 15 A -6 )
HIS( 15 A -5 )
HIS( 15 A -4 )
HIS( 15 A -3 )
HIS( 15 A -2 )
HIS( 15 A -1 )
HIS( 15 A 0 )
MET( 16 A-141 )
ALA( 16 A-140 )
ASN( 16 A-139 )
ASP( 16 A-138 )
THR( 16 A-137 )
PRO( 16 A-136 )
PHE( 16 A-135 )
SER( 16 A-134 )
ALA( 16 A-133 )
LEU( 16 A-132 )
TRP( 16 A-131 )
GLN( 16 A-130 )
ARG( 16 A-129 )
LEU( 16 A-128 )
LEU( 16 A-127 )
THR( 16 A-126 )
ARG( 16 A-125 )
GLY( 16 A-124 )
TRP( 16 A-123 )
GLN( 16 A-122 )
PRO( 16 A-121 )
VAL( 16 A-120 )
GLU( 16 A-119 )
ALA( 16 A-118 )
SER( 16 A-117 )
THR( 16 A-116 )
VAL( 16 A-115 )
ASP( 16 A-114 )
ASP( 16 A-113 )
TRP( 16 A-112 )
ILE( 16 A-111 )
LYS( 16 A-110 )
ARG( 16 A-109 )
VAL( 16 A-108 )
GLY( 16 A-107 )
ASP( 16 A-106 )
GLY( 16 A-105 )
VAL( 16 A-104 )
ILE( 16 A-103 )
LEU( 16 A-102 )
LEU( 16 A-101 )
SER( 16 A-100 )
SER( 16 A -99 )
ASP( 16 A -98 )
PRO( 16 A -97 )
ARG( 16 A -96 )
ARG( 16 A -95 )
THR( 16 A -94 )
PRO( 16 A -93 )
GLU( 16 A -92 )
VAL( 16 A -91 )
SER( 16 A -90 )
ASP( 16 A -89 )
ASN( 16 A -88 )
PRO( 16 A -87 )
VAL( 16 A -86 )
MET( 16 A -85 )
ILE( 16 A -84 )
ALA( 16 A -83 )
GLU( 16 A -82 )
LEU( 16 A -81 )
LEU( 16 A -80 )
ARG( 16 A -79 )
GLU( 16 A -78 )
PHE( 16 A -77 )
PRO( 16 A -76 )
GLN( 16 A -75 )
PHE( 16 A -74 )
ASP( 16 A -73 )
TRP( 16 A -72 )
GLN( 16 A -71 )
VAL( 16 A -70 )
ALA( 16 A -69 )
VAL( 16 A -68 )
ALA( 16 A -67 )
ASP( 16 A -66 )
LEU( 16 A -65 )
GLU( 16 A -64 )
GLN( 16 A -63 )
SER( 16 A -62 )
GLU( 16 A -61 )
ALA( 16 A -60 )
ILE( 16 A -59 )
GLY( 16 A -58 )
ASP( 16 A -57 )
ARG( 16 A -56 )
PHE( 16 A -55 )
ASN( 16 A -54 )
VAL( 16 A -53 )
ARG( 16 A -52 )
ARG( 16 A -51 )
PHE( 16 A -50 )
PRO( 16 A -49 )
ALA( 16 A -48 )
THR( 16 A -47 )
LEU( 16 A -46 )
VAL( 16 A -45 )
PHE( 16 A -44 )
THR( 16 A -43 )
ASP( 16 A -42 )
GLY( 16 A -41 )
LYS( 16 A -40 )
LEU( 16 A -39 )
ARG( 16 A -38 )
GLY( 16 A -37 )
ALA( 16 A -36 )
LEU( 16 A -35 )
SER( 16 A -34 )
GLY( 16 A -33 )
ILE( 16 A -32 )
HIS( 16 A -31 )
PRO( 16 A -30 )
TRP( 16 A -29 )
ALA( 16 A -28 )
GLU( 16 A -27 )
LEU( 16 A -26 )
LEU( 16 A -25 )
THR( 16 A -24 )
LEU( 16 A -23 )
MET( 16 A -22 )
ARG( 16 A -21 )
SER( 16 A -20 )
ILE( 16 A -19 )
VAL( 16 A -18 )
ASP( 16 A -17 )
THR( 16 A -16 )
PRO( 16 A -15 )
ALA( 16 A -14 )
ALA( 16 A -13 )
GLN( 16 A -12 )
GLU( 16 A -11 )
THR( 16 A -10 )
VAL( 16 A -9 )
GLN( 16 A -8 )
LEU( 16 A -7 )
GLU( 16 A -6 )
HIS( 16 A -5 )
HIS( 16 A -4 )
HIS( 16 A -3 )
HIS( 16 A -2 )
HIS( 16 A -1 )
HIS( 16 A 0 )
MET( 17 A-141 )
ALA( 17 A-140 )
ASN( 17 A-139 )
ASP( 17 A-138 )
THR( 17 A-137 )
PRO( 17 A-136 )
PHE( 17 A-135 )
SER( 17 A-134 )
ALA( 17 A-133 )
LEU( 17 A-132 )
TRP( 17 A-131 )
GLN( 17 A-130 )
ARG( 17 A-129 )
LEU( 17 A-128 )
LEU( 17 A-127 )
THR( 17 A-126 )
ARG( 17 A-125 )
GLY( 17 A-124 )
TRP( 17 A-123 )
GLN( 17 A-122 )
PRO( 17 A-121 )
VAL( 17 A-120 )
GLU( 17 A-119 )
ALA( 17 A-118 )
SER( 17 A-117 )
THR( 17 A-116 )
VAL( 17 A-115 )
ASP( 17 A-114 )
ASP( 17 A-113 )
TRP( 17 A-112 )
ILE( 17 A-111 )
LYS( 17 A-110 )
ARG( 17 A-109 )
VAL( 17 A-108 )
GLY( 17 A-107 )
ASP( 17 A-106 )
GLY( 17 A-105 )
VAL( 17 A-104 )
ILE( 17 A-103 )
LEU( 17 A-102 )
LEU( 17 A-101 )
SER( 17 A-100 )
SER( 17 A -99 )
ASP( 17 A -98 )
PRO( 17 A -97 )
ARG( 17 A -96 )
ARG( 17 A -95 )
THR( 17 A -94 )
PRO( 17 A -93 )
GLU( 17 A -92 )
VAL( 17 A -91 )
SER( 17 A -90 )
ASP( 17 A -89 )
ASN( 17 A -88 )
PRO( 17 A -87 )
VAL( 17 A -86 )
MET( 17 A -85 )
ILE( 17 A -84 )
ALA( 17 A -83 )
GLU( 17 A -82 )
LEU( 17 A -81 )
LEU( 17 A -80 )
ARG( 17 A -79 )
GLU( 17 A -78 )
PHE( 17 A -77 )
PRO( 17 A -76 )
GLN( 17 A -75 )
PHE( 17 A -74 )
ASP( 17 A -73 )
TRP( 17 A -72 )
GLN( 17 A -71 )
VAL( 17 A -70 )
ALA( 17 A -69 )
VAL( 17 A -68 )
ALA( 17 A -67 )
ASP( 17 A -66 )
LEU( 17 A -65 )
GLU( 17 A -64 )
GLN( 17 A -63 )
SER( 17 A -62 )
GLU( 17 A -61 )
ALA( 17 A -60 )
ILE( 17 A -59 )
GLY( 17 A -58 )
ASP( 17 A -57 )
ARG( 17 A -56 )
PHE( 17 A -55 )
ASN( 17 A -54 )
VAL( 17 A -53 )
ARG( 17 A -52 )
ARG( 17 A -51 )
PHE( 17 A -50 )
PRO( 17 A -49 )
ALA( 17 A -48 )
THR( 17 A -47 )
LEU( 17 A -46 )
VAL( 17 A -45 )
PHE( 17 A -44 )
THR( 17 A -43 )
ASP( 17 A -42 )
GLY( 17 A -41 )
LYS( 17 A -40 )
LEU( 17 A -39 )
ARG( 17 A -38 )
GLY( 17 A -37 )
ALA( 17 A -36 )
LEU( 17 A -35 )
SER( 17 A -34 )
GLY( 17 A -33 )
ILE( 17 A -32 )
HIS( 17 A -31 )
PRO( 17 A -30 )
TRP( 17 A -29 )
ALA( 17 A -28 )
GLU( 17 A -27 )
LEU( 17 A -26 )
LEU( 17 A -25 )
THR( 17 A -24 )
LEU( 17 A -23 )
MET( 17 A -22 )
ARG( 17 A -21 )
SER( 17 A -20 )
ILE( 17 A -19 )
VAL( 17 A -18 )
ASP( 17 A -17 )
THR( 17 A -16 )
PRO( 17 A -15 )
ALA( 17 A -14 )
ALA( 17 A -13 )
GLN( 17 A -12 )
GLU( 17 A -11 )
THR( 17 A -10 )
VAL( 17 A -9 )
GLN( 17 A -8 )
LEU( 17 A -7 )
GLU( 17 A -6 )
HIS( 17 A -5 )
HIS( 17 A -4 )
HIS( 17 A -3 )
HIS( 17 A -2 )
HIS( 17 A -1 )
HIS( 17 A 0 )
MET( 18 A-141 )
ALA( 18 A-140 )
ASN( 18 A-139 )
ASP( 18 A-138 )
THR( 18 A-137 )
PRO( 18 A-136 )
PHE( 18 A-135 )
SER( 18 A-134 )
ALA( 18 A-133 )
LEU( 18 A-132 )
TRP( 18 A-131 )
GLN( 18 A-130 )
ARG( 18 A-129 )
LEU( 18 A-128 )
LEU( 18 A-127 )
THR( 18 A-126 )
ARG( 18 A-125 )
GLY( 18 A-124 )
TRP( 18 A-123 )
GLN( 18 A-122 )
PRO( 18 A-121 )
VAL( 18 A-120 )
GLU( 18 A-119 )
ALA( 18 A-118 )
SER( 18 A-117 )
THR( 18 A-116 )
VAL( 18 A-115 )
ASP( 18 A-114 )
ASP( 18 A-113 )
TRP( 18 A-112 )
ILE( 18 A-111 )
LYS( 18 A-110 )
ARG( 18 A-109 )
VAL( 18 A-108 )
GLY( 18 A-107 )
ASP( 18 A-106 )
GLY( 18 A-105 )
VAL( 18 A-104 )
ILE( 18 A-103 )
LEU( 18 A-102 )
LEU( 18 A-101 )
SER( 18 A-100 )
SER( 18 A -99 )
ASP( 18 A -98 )
PRO( 18 A -97 )
ARG( 18 A -96 )
ARG( 18 A -95 )
THR( 18 A -94 )
PRO( 18 A -93 )
GLU( 18 A -92 )
VAL( 18 A -91 )
SER( 18 A -90 )
ASP( 18 A -89 )
ASN( 18 A -88 )
PRO( 18 A -87 )
VAL( 18 A -86 )
MET( 18 A -85 )
ILE( 18 A -84 )
ALA( 18 A -83 )
GLU( 18 A -82 )
LEU( 18 A -81 )
LEU( 18 A -80 )
ARG( 18 A -79 )
GLU( 18 A -78 )
PHE( 18 A -77 )
PRO( 18 A -76 )
GLN( 18 A -75 )
PHE( 18 A -74 )
ASP( 18 A -73 )
TRP( 18 A -72 )
GLN( 18 A -71 )
VAL( 18 A -70 )
ALA( 18 A -69 )
VAL( 18 A -68 )
ALA( 18 A -67 )
ASP( 18 A -66 )
LEU( 18 A -65 )
GLU( 18 A -64 )
GLN( 18 A -63 )
SER( 18 A -62 )
GLU( 18 A -61 )
ALA( 18 A -60 )
ILE( 18 A -59 )
GLY( 18 A -58 )
ASP( 18 A -57 )
ARG( 18 A -56 )
PHE( 18 A -55 )
ASN( 18 A -54 )
VAL( 18 A -53 )
ARG( 18 A -52 )
ARG( 18 A -51 )
PHE( 18 A -50 )
PRO( 18 A -49 )
ALA( 18 A -48 )
THR( 18 A -47 )
LEU( 18 A -46 )
VAL( 18 A -45 )
PHE( 18 A -44 )
THR( 18 A -43 )
ASP( 18 A -42 )
GLY( 18 A -41 )
LYS( 18 A -40 )
LEU( 18 A -39 )
ARG( 18 A -38 )
GLY( 18 A -37 )
ALA( 18 A -36 )
LEU( 18 A -35 )
SER( 18 A -34 )
GLY( 18 A -33 )
ILE( 18 A -32 )
HIS( 18 A -31 )
PRO( 18 A -30 )
TRP( 18 A -29 )
ALA( 18 A -28 )
GLU( 18 A -27 )
LEU( 18 A -26 )
LEU( 18 A -25 )
THR( 18 A -24 )
LEU( 18 A -23 )
MET( 18 A -22 )
ARG( 18 A -21 )
SER( 18 A -20 )
ILE( 18 A -19 )
VAL( 18 A -18 )
ASP( 18 A -17 )
THR( 18 A -16 )
PRO( 18 A -15 )
ALA( 18 A -14 )
ALA( 18 A -13 )
GLN( 18 A -12 )
GLU( 18 A -11 )
THR( 18 A -10 )
VAL( 18 A -9 )
GLN( 18 A -8 )
LEU( 18 A -7 )
GLU( 18 A -6 )
HIS( 18 A -5 )
HIS( 18 A -4 )
HIS( 18 A -3 )
HIS( 18 A -2 )
HIS( 18 A -1 )
HIS( 18 A 0 )
MET( 19 A-141 )
ALA( 19 A-140 )
ASN( 19 A-139 )
ASP( 19 A-138 )
THR( 19 A-137 )
PRO( 19 A-136 )
PHE( 19 A-135 )
SER( 19 A-134 )
ALA( 19 A-133 )
LEU( 19 A-132 )
TRP( 19 A-131 )
GLN( 19 A-130 )
ARG( 19 A-129 )
LEU( 19 A-128 )
LEU( 19 A-127 )
THR( 19 A-126 )
ARG( 19 A-125 )
GLY( 19 A-124 )
TRP( 19 A-123 )
GLN( 19 A-122 )
PRO( 19 A-121 )
VAL( 19 A-120 )
GLU( 19 A-119 )
ALA( 19 A-118 )
SER( 19 A-117 )
THR( 19 A-116 )
VAL( 19 A-115 )
ASP( 19 A-114 )
ASP( 19 A-113 )
TRP( 19 A-112 )
ILE( 19 A-111 )
LYS( 19 A-110 )
ARG( 19 A-109 )
VAL( 19 A-108 )
GLY( 19 A-107 )
ASP( 19 A-106 )
GLY( 19 A-105 )
VAL( 19 A-104 )
ILE( 19 A-103 )
LEU( 19 A-102 )
LEU( 19 A-101 )
SER( 19 A-100 )
SER( 19 A -99 )
ASP( 19 A -98 )
PRO( 19 A -97 )
ARG( 19 A -96 )
ARG( 19 A -95 )
THR( 19 A -94 )
PRO( 19 A -93 )
GLU( 19 A -92 )
VAL( 19 A -91 )
SER( 19 A -90 )
ASP( 19 A -89 )
ASN( 19 A -88 )
PRO( 19 A -87 )
VAL( 19 A -86 )
MET( 19 A -85 )
ILE( 19 A -84 )
ALA( 19 A -83 )
GLU( 19 A -82 )
LEU( 19 A -81 )
LEU( 19 A -80 )
ARG( 19 A -79 )
GLU( 19 A -78 )
PHE( 19 A -77 )
PRO( 19 A -76 )
GLN( 19 A -75 )
PHE( 19 A -74 )
ASP( 19 A -73 )
TRP( 19 A -72 )
GLN( 19 A -71 )
VAL( 19 A -70 )
ALA( 19 A -69 )
VAL( 19 A -68 )
ALA( 19 A -67 )
ASP( 19 A -66 )
LEU( 19 A -65 )
GLU( 19 A -64 )
GLN( 19 A -63 )
SER( 19 A -62 )
GLU( 19 A -61 )
ALA( 19 A -60 )
ILE( 19 A -59 )
GLY( 19 A -58 )
ASP( 19 A -57 )
ARG( 19 A -56 )
PHE( 19 A -55 )
ASN( 19 A -54 )
VAL( 19 A -53 )
ARG( 19 A -52 )
ARG( 19 A -51 )
PHE( 19 A -50 )
PRO( 19 A -49 )
ALA( 19 A -48 )
THR( 19 A -47 )
LEU( 19 A -46 )
VAL( 19 A -45 )
PHE( 19 A -44 )
THR( 19 A -43 )
ASP( 19 A -42 )
GLY( 19 A -41 )
LYS( 19 A -40 )
LEU( 19 A -39 )
ARG( 19 A -38 )
GLY( 19 A -37 )
ALA( 19 A -36 )
LEU( 19 A -35 )
SER( 19 A -34 )
GLY( 19 A -33 )
ILE( 19 A -32 )
HIS( 19 A -31 )
PRO( 19 A -30 )
TRP( 19 A -29 )
ALA( 19 A -28 )
GLU( 19 A -27 )
LEU( 19 A -26 )
LEU( 19 A -25 )
THR( 19 A -24 )
LEU( 19 A -23 )
MET( 19 A -22 )
ARG( 19 A -21 )
SER( 19 A -20 )
ILE( 19 A -19 )
VAL( 19 A -18 )
ASP( 19 A -17 )
THR( 19 A -16 )
PRO( 19 A -15 )
ALA( 19 A -14 )
ALA( 19 A -13 )
GLN( 19 A -12 )
GLU( 19 A -11 )
THR( 19 A -10 )
VAL( 19 A -9 )
GLN( 19 A -8 )
LEU( 19 A -7 )
GLU( 19 A -6 )
HIS( 19 A -5 )
HIS( 19 A -4 )
HIS( 19 A -3 )
HIS( 19 A -2 )
HIS( 19 A -1 )
HIS( 19 A 0 )
MET( 20 A-141 )
ALA( 20 A-140 )
ASN( 20 A-139 )
ASP( 20 A-138 )
THR( 20 A-137 )
PRO( 20 A-136 )
PHE( 20 A-135 )
SER( 20 A-134 )
ALA( 20 A-133 )
LEU( 20 A-132 )
TRP( 20 A-131 )
GLN( 20 A-130 )
ARG( 20 A-129 )
LEU( 20 A-128 )
LEU( 20 A-127 )
THR( 20 A-126 )
ARG( 20 A-125 )
GLY( 20 A-124 )
TRP( 20 A-123 )
GLN( 20 A-122 )
PRO( 20 A-121 )
VAL( 20 A-120 )
GLU( 20 A-119 )
ALA( 20 A-118 )
SER( 20 A-117 )
THR( 20 A-116 )
VAL( 20 A-115 )
ASP( 20 A-114 )
ASP( 20 A-113 )
TRP( 20 A-112 )
ILE( 20 A-111 )
LYS( 20 A-110 )
ARG( 20 A-109 )
VAL( 20 A-108 )
GLY( 20 A-107 )
ASP( 20 A-106 )
GLY( 20 A-105 )
VAL( 20 A-104 )
ILE( 20 A-103 )
LEU( 20 A-102 )
LEU( 20 A-101 )
SER( 20 A-100 )
SER( 20 A -99 )
ASP( 20 A -98 )
PRO( 20 A -97 )
ARG( 20 A -96 )
ARG( 20 A -95 )
THR( 20 A -94 )
PRO( 20 A -93 )
GLU( 20 A -92 )
VAL( 20 A -91 )
SER( 20 A -90 )
ASP( 20 A -89 )
ASN( 20 A -88 )
PRO( 20 A -87 )
VAL( 20 A -86 )
MET( 20 A -85 )
ILE( 20 A -84 )
ALA( 20 A -83 )
GLU( 20 A -82 )
LEU( 20 A -81 )
LEU( 20 A -80 )
ARG( 20 A -79 )
GLU( 20 A -78 )
PHE( 20 A -77 )
PRO( 20 A -76 )
GLN( 20 A -75 )
PHE( 20 A -74 )
ASP( 20 A -73 )
TRP( 20 A -72 )
GLN( 20 A -71 )
VAL( 20 A -70 )
ALA( 20 A -69 )
VAL( 20 A -68 )
ALA( 20 A -67 )
ASP( 20 A -66 )
LEU( 20 A -65 )
GLU( 20 A -64 )
GLN( 20 A -63 )
SER( 20 A -62 )
GLU( 20 A -61 )
ALA( 20 A -60 )
ILE( 20 A -59 )
GLY( 20 A -58 )
ASP( 20 A -57 )
ARG( 20 A -56 )
PHE( 20 A -55 )
ASN( 20 A -54 )
VAL( 20 A -53 )
ARG( 20 A -52 )
ARG( 20 A -51 )
PHE( 20 A -50 )
PRO( 20 A -49 )
ALA( 20 A -48 )
THR( 20 A -47 )
LEU( 20 A -46 )
VAL( 20 A -45 )
PHE( 20 A -44 )
THR( 20 A -43 )
ASP( 20 A -42 )
GLY( 20 A -41 )
LYS( 20 A -40 )
LEU( 20 A -39 )
ARG( 20 A -38 )
GLY( 20 A -37 )
ALA( 20 A -36 )
LEU( 20 A -35 )
SER( 20 A -34 )
GLY( 20 A -33 )
ILE( 20 A -32 )
HIS( 20 A -31 )
PRO( 20 A -30 )
TRP( 20 A -29 )
ALA( 20 A -28 )
GLU( 20 A -27 )
LEU( 20 A -26 )
LEU( 20 A -25 )
THR( 20 A -24 )
LEU( 20 A -23 )
MET( 20 A -22 )
ARG( 20 A -21 )
SER( 20 A -20 )
ILE( 20 A -19 )
VAL( 20 A -18 )
ASP( 20 A -17 )
THR( 20 A -16 )
PRO( 20 A -15 )
ALA( 20 A -14 )
ALA( 20 A -13 )
GLN( 20 A -12 )
GLU( 20 A -11 )
THR( 20 A -10 )
VAL( 20 A -9 )
GLN( 20 A -8 )
LEU( 20 A -7 )
GLU( 20 A -6 )
HIS( 20 A -5 )
HIS( 20 A -4 )
HIS( 20 A -3 )
HIS( 20 A -2 )
HIS( 20 A -1 )
HIS( 20 A 0 )
PDB Chain_ID: A
1 15
SEQRES: MET ALA ASN ASP THR PRO PHE SER ALA LEU TRP GLN ARG LEU LEU
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
16 30
SEQRES: THR ARG GLY TRP GLN PRO VAL GLU ALA SER THR VAL ASP ASP TRP
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
31 45
SEQRES: ILE LYS ARG VAL GLY ASP GLY VAL ILE LEU LEU SER SER ASP PRO
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
46 60
SEQRES: ARG ARG THR PRO GLU VAL SER ASP ASN PRO VAL MET ILE ALA GLU
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
61 75
SEQRES: LEU LEU ARG GLU PHE PRO GLN PHE ASP TRP GLN VAL ALA VAL ALA
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
76 90
SEQRES: ASP LEU GLU GLN SER GLU ALA ILE GLY ASP ARG PHE ASN VAL ARG
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
91 105
SEQRES: ARG PHE PRO ALA THR LEU VAL PHE THR ASP GLY LYS LEU ARG GLY
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
106 120
SEQRES: ALA LEU SER GLY ILE HIS PRO TRP ALA GLU LEU LEU THR LEU MET
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
121 135
SEQRES: ARG SER ILE VAL ASP THR PRO ALA ALA GLN GLU THR VAL GLN LEU
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
136 150
SEQRES: GLU HIS HIS HIS HIS HIS HIS MET ALA ASN ASP THR PRO PHE SER
COORDS: ... ... ... ... ... ... ... MET ALA ASN ASP THR PRO PHE SER
1 8
151 165
SEQRES: ALA LEU TRP GLN ARG LEU LEU THR ARG GLY TRP GLN PRO VAL GLU
COORDS: ALA LEU TRP GLN ARG LEU LEU THR ARG GLY TRP GLN PRO VAL GLU
9 23
166 180
SEQRES: ALA SER THR VAL ASP ASP TRP ILE LYS ARG VAL GLY ASP GLY VAL
COORDS: ALA SER THR VAL ASP ASP TRP ILE LYS ARG VAL GLY ASP GLY VAL
24 38
181 195
SEQRES: ILE LEU LEU SER SER ASP PRO ARG ARG THR PRO GLU VAL SER ASP
COORDS: ILE LEU LEU SER SER ASP PRO ARG ARG THR PRO GLU VAL SER ASP
39 53
196 210
SEQRES: ASN PRO VAL MET ILE ALA GLU LEU LEU ARG GLU PHE PRO GLN PHE
COORDS: ASN PRO VAL MET ILE ALA GLU LEU LEU ARG GLU PHE PRO GLN PHE
54 68
211 225
SEQRES: ASP TRP GLN VAL ALA VAL ALA ASP LEU GLU GLN SER GLU ALA ILE
COORDS: ASP TRP GLN VAL ALA VAL ALA ASP LEU GLU GLN SER GLU ALA ILE
69 83
226 240
SEQRES: GLY ASP ARG PHE ASN VAL ARG ARG PHE PRO ALA THR LEU VAL PHE
COORDS: GLY ASP ARG PHE ASN VAL ARG ARG PHE PRO ALA THR LEU VAL PHE
84 98
241 255
SEQRES: THR ASP GLY LYS LEU ARG GLY ALA LEU SER GLY ILE HIS PRO TRP
COORDS: THR ASP GLY LYS LEU ARG GLY ALA LEU SER GLY ILE HIS PRO TRP
99 113
256 270
SEQRES: ALA GLU LEU LEU THR LEU MET ARG SER ILE VAL ASP THR PRO ALA
COORDS: ALA GLU LEU LEU THR LEU MET ARG SER ILE VAL ASP THR PRO ALA
114 128
271 284
SEQRES: ALA GLN GLU THR VAL GLN LEU GLU HIS HIS HIS HIS HIS HIS
COORDS: ALA GLN GLU THR VAL GLN LEU GLU HIS HIS HIS HIS HIS HIS
129 142
==> The following residues have missing atoms:
RES MOD#C SEQ ATOMS
ASP( 1 A 4) HD2
GLU( 1 A 23) HE2
ASP( 1 A 28) HD2
ASP( 1 A 29) HD2
ASP( 1 A 36) HD2
ASP( 1 A 44) HD2
GLU( 1 A 50) HE2
ASP( 1 A 53) HD2
GLU( 1 A 60) HE2
GLU( 1 A 64) HE2
ASP( 1 A 69) HD2
ASP( 1 A 76) HD2
GLU( 1 A 78) HE2
GLU( 1 A 81) HE2
ASP( 1 A 85) HD2
ASP( 1 A 100) HD2
HIS( 1 A 111) HD1
GLU( 1 A 115) HE2
ASP( 1 A 125) HD2
GLU( 1 A 131) HE2
GLU( 1 A 136) HE2
HIS( 1 A 137) HD1
HIS( 1 A 138) HE2
HIS( 1 A 139) HE2
HIS( 1 A 140) HD1
HIS( 1 A 141) HD1
HIS( 1 A 142) HE2
ASP( 2 A 4) HD2
GLU( 2 A 23) HE2
ASP( 2 A 28) HD2
ASP( 2 A 29) HD2
ASP( 2 A 36) HD2
ASP( 2 A 44) HD2
GLU( 2 A 50) HE2
ASP( 2 A 53) HD2
GLU( 2 A 60) HE2
GLU( 2 A 64) HE2
ASP( 2 A 69) HD2
ASP( 2 A 76) HD2
GLU( 2 A 78) HE2
GLU( 2 A 81) HE2
ASP( 2 A 85) HD2
ASP( 2 A 100) HD2
HIS( 2 A 111) HE2
GLU( 2 A 115) HE2
ASP( 2 A 125) HD2
GLU( 2 A 131) HE2
GLU( 2 A 136) HE2
HIS( 2 A 137) HE2
HIS( 2 A 138) HE2
HIS( 2 A 139) HE2
HIS( 2 A 140) HE2
HIS( 2 A 141) HD1
HIS( 2 A 142) HD1
ASP( 3 A 4) HD2
GLU( 3 A 23) HE2
ASP( 3 A 28) HD2
ASP( 3 A 29) HD2
ASP( 3 A 36) HD2
ASP( 3 A 44) HD2
GLU( 3 A 50) HE2
ASP( 3 A 53) HD2
GLU( 3 A 60) HE2
GLU( 3 A 64) HE2
ASP( 3 A 69) HD2
ASP( 3 A 76) HD2
GLU( 3 A 78) HE2
GLU( 3 A 81) HE2
ASP( 3 A 85) HD2
ASP( 3 A 100) HD2
HIS( 3 A 111) HD1
GLU( 3 A 115) HE2
ASP( 3 A 125) HD2
GLU( 3 A 131) HE2
GLU( 3 A 136) HE2
HIS( 3 A 137) HE2
HIS( 3 A 138) HD1
HIS( 3 A 139) HE2
HIS( 3 A 140) HD1
HIS( 3 A 141) HE2
HIS( 3 A 142) HD1
ASP( 4 A 4) HD2
GLU( 4 A 23) HE2
ASP( 4 A 28) HD2
ASP( 4 A 29) HD2
ASP( 4 A 36) HD2
ASP( 4 A 44) HD2
GLU( 4 A 50) HE2
ASP( 4 A 53) HD2
GLU( 4 A 60) HE2
GLU( 4 A 64) HE2
ASP( 4 A 69) HD2
ASP( 4 A 76) HD2
GLU( 4 A 78) HE2
GLU( 4 A 81) HE2
ASP( 4 A 85) HD2
ASP( 4 A 100) HD2
HIS( 4 A 111) HE2
GLU( 4 A 115) HE2
ASP( 4 A 125) HD2
GLU( 4 A 131) HE2
GLU( 4 A 136) HE2
HIS( 4 A 137) HD1
HIS( 4 A 138) HE2
HIS( 4 A 139) HE2
HIS( 4 A 140) HD1
HIS( 4 A 141) HD1
HIS( 4 A 142) HD1
ASP( 5 A 4) HD2
GLU( 5 A 23) HE2
ASP( 5 A 28) HD2
ASP( 5 A 29) HD2
ASP( 5 A 36) HD2
ASP( 5 A 44) HD2
GLU( 5 A 50) HE2
ASP( 5 A 53) HD2
GLU( 5 A 60) HE2
GLU( 5 A 64) HE2
ASP( 5 A 69) HD2
ASP( 5 A 76) HD2
GLU( 5 A 78) HE2
GLU( 5 A 81) HE2
ASP( 5 A 85) HD2
ASP( 5 A 100) HD2
HIS( 5 A 111) HE2
GLU( 5 A 115) HE2
ASP( 5 A 125) HD2
GLU( 5 A 131) HE2
GLU( 5 A 136) HE2
HIS( 5 A 137) HE2
HIS( 5 A 138) HE2
HIS( 5 A 139) HD1
HIS( 5 A 140) HE2
HIS( 5 A 141) HD1
HIS( 5 A 142) HE2
ASP( 6 A 4) HD2
GLU( 6 A 23) HE2
ASP( 6 A 28) HD2
ASP( 6 A 29) HD2
ASP( 6 A 36) HD2
ASP( 6 A 44) HD2
GLU( 6 A 50) HE2
ASP( 6 A 53) HD2
GLU( 6 A 60) HE2
GLU( 6 A 64) HE2
ASP( 6 A 69) HD2
ASP( 6 A 76) HD2
GLU( 6 A 78) HE2
GLU( 6 A 81) HE2
ASP( 6 A 85) HD2
ASP( 6 A 100) HD2
HIS( 6 A 111) HD1
GLU( 6 A 115) HE2
ASP( 6 A 125) HD2
GLU( 6 A 131) HE2
GLU( 6 A 136) HE2
HIS( 6 A 137) HD1
HIS( 6 A 138) HD1
HIS( 6 A 139) HE2
HIS( 6 A 140) HE2
HIS( 6 A 141) HE2
HIS( 6 A 142) HD1
ASP( 7 A 4) HD2
GLU( 7 A 23) HE2
ASP( 7 A 28) HD2
ASP( 7 A 29) HD2
ASP( 7 A 36) HD2
ASP( 7 A 44) HD2
GLU( 7 A 50) HE2
ASP( 7 A 53) HD2
GLU( 7 A 60) HE2
GLU( 7 A 64) HE2
ASP( 7 A 69) HD2
ASP( 7 A 76) HD2
GLU( 7 A 78) HE2
GLU( 7 A 81) HE2
ASP( 7 A 85) HD2
ASP( 7 A 100) HD2
HIS( 7 A 111) HE2
GLU( 7 A 115) HE2
ASP( 7 A 125) HD2
GLU( 7 A 131) HE2
GLU( 7 A 136) HE2
HIS( 7 A 137) HD1
HIS( 7 A 138) HE2
HIS( 7 A 139) HE2
HIS( 7 A 140) HD1
HIS( 7 A 141) HD1
HIS( 7 A 142) HE2
ASP( 8 A 4) HD2
GLU( 8 A 23) HE2
ASP( 8 A 28) HD2
ASP( 8 A 29) HD2
ASP( 8 A 36) HD2
ASP( 8 A 44) HD2
GLU( 8 A 50) HE2
ASP( 8 A 53) HD2
GLU( 8 A 60) HE2
GLU( 8 A 64) HE2
ASP( 8 A 69) HD2
ASP( 8 A 76) HD2
GLU( 8 A 78) HE2
GLU( 8 A 81) HE2
ASP( 8 A 85) HD2
ASP( 8 A 100) HD2
HIS( 8 A 111) HD1
GLU( 8 A 115) HE2
ASP( 8 A 125) HD2
GLU( 8 A 131) HE2
GLU( 8 A 136) HE2
HIS( 8 A 137) HD1
HIS( 8 A 138) HE2
HIS( 8 A 139) HE2
HIS( 8 A 140) HD1
HIS( 8 A 141) HD1
HIS( 8 A 142) HE2
ASP( 9 A 4) HD2
GLU( 9 A 23) HE2
ASP( 9 A 28) HD2
ASP( 9 A 29) HD2
ASP( 9 A 36) HD2
ASP( 9 A 44) HD2
GLU( 9 A 50) HE2
ASP( 9 A 53) HD2
GLU( 9 A 60) HE2
GLU( 9 A 64) HE2
ASP( 9 A 69) HD2
ASP( 9 A 76) HD2
GLU( 9 A 78) HE2
GLU( 9 A 81) HE2
ASP( 9 A 85) HD2
ASP( 9 A 100) HD2
HIS( 9 A 111) HD1
GLU( 9 A 115) HE2
ASP( 9 A 125) HD2
GLU( 9 A 131) HE2
GLU( 9 A 136) HE2
HIS( 9 A 137) HD1
HIS( 9 A 138) HD1
HIS( 9 A 139) HD1
HIS( 9 A 140) HE2
HIS( 9 A 141) HE2
HIS( 9 A 142) HE2
ASP( 10 A 4) HD2
GLU( 10 A 23) HE2
ASP( 10 A 28) HD2
ASP( 10 A 29) HD2
ASP( 10 A 36) HD2
ASP( 10 A 44) HD2
GLU( 10 A 50) HE2
ASP( 10 A 53) HD2
GLU( 10 A 60) HE2
GLU( 10 A 64) HE2
ASP( 10 A 69) HD2
ASP( 10 A 76) HD2
GLU( 10 A 78) HE2
GLU( 10 A 81) HE2
ASP( 10 A 85) HD2
ASP( 10 A 100) HD2
HIS( 10 A 111) HD1
GLU( 10 A 115) HE2
ASP( 10 A 125) HD2
GLU( 10 A 131) HE2
GLU( 10 A 136) HE2
HIS( 10 A 137) HE2
HIS( 10 A 138) HE2
HIS( 10 A 139) HE2
HIS( 10 A 140) HE2
HIS( 10 A 141) HE2
HIS( 10 A 142) HE2
ASP( 11 A 4) HD2
GLU( 11 A 23) HE2
ASP( 11 A 28) HD2
ASP( 11 A 29) HD2
ASP( 11 A 36) HD2
ASP( 11 A 44) HD2
GLU( 11 A 50) HE2
ASP( 11 A 53) HD2
GLU( 11 A 60) HE2
GLU( 11 A 64) HE2
ASP( 11 A 69) HD2
ASP( 11 A 76) HD2
GLU( 11 A 78) HE2
GLU( 11 A 81) HE2
ASP( 11 A 85) HD2
ASP( 11 A 100) HD2
HIS( 11 A 111) HE2
GLU( 11 A 115) HE2
ASP( 11 A 125) HD2
GLU( 11 A 131) HE2
GLU( 11 A 136) HE2
HIS( 11 A 137) HE2
HIS( 11 A 138) HE2
HIS( 11 A 139) HE2
HIS( 11 A 140) HD1
HIS( 11 A 141) HD1
HIS( 11 A 142) HE2
ASP( 12 A 4) HD2
GLU( 12 A 23) HE2
ASP( 12 A 28) HD2
ASP( 12 A 29) HD2
ASP( 12 A 36) HD2
ASP( 12 A 44) HD2
GLU( 12 A 50) HE2
ASP( 12 A 53) HD2
GLU( 12 A 60) HE2
GLU( 12 A 64) HE2
ASP( 12 A 69) HD2
ASP( 12 A 76) HD2
GLU( 12 A 78) HE2
GLU( 12 A 81) HE2
ASP( 12 A 85) HD2
ASP( 12 A 100) HD2
HIS( 12 A 111) HE2
GLU( 12 A 115) HE2
ASP( 12 A 125) HD2
GLU( 12 A 131) HE2
GLU( 12 A 136) HE2
HIS( 12 A 137) HE2
HIS( 12 A 138) HD1
HIS( 12 A 139) HE2
HIS( 12 A 140) HE2
HIS( 12 A 141) HD1
HIS( 12 A 142) HE2
ASP( 13 A 4) HD2
GLU( 13 A 23) HE2
ASP( 13 A 28) HD2
ASP( 13 A 29) HD2
ASP( 13 A 36) HD2
ASP( 13 A 44) HD2
GLU( 13 A 50) HE2
ASP( 13 A 53) HD2
GLU( 13 A 60) HE2
GLU( 13 A 64) HE2
ASP( 13 A 69) HD2
ASP( 13 A 76) HD2
GLU( 13 A 78) HE2
GLU( 13 A 81) HE2
ASP( 13 A 85) HD2
ASP( 13 A 100) HD2
HIS( 13 A 111) HE2
GLU( 13 A 115) HE2
ASP( 13 A 125) HD2
GLU( 13 A 131) HE2
GLU( 13 A 136) HE2
HIS( 13 A 137) HE2
HIS( 13 A 138) HE2
HIS( 13 A 139) HD1
HIS( 13 A 140) HD1
HIS( 13 A 141) HD1
HIS( 13 A 142) HD1
ASP( 14 A 4) HD2
GLU( 14 A 23) HE2
ASP( 14 A 28) HD2
ASP( 14 A 29) HD2
ASP( 14 A 36) HD2
ASP( 14 A 44) HD2
GLU( 14 A 50) HE2
ASP( 14 A 53) HD2
GLU( 14 A 60) HE2
GLU( 14 A 64) HE2
ASP( 14 A 69) HD2
ASP( 14 A 76) HD2
GLU( 14 A 78) HE2
GLU( 14 A 81) HE2
ASP( 14 A 85) HD2
ASP( 14 A 100) HD2
HIS( 14 A 111) HE2
GLU( 14 A 115) HE2
ASP( 14 A 125) HD2
GLU( 14 A 131) HE2
GLU( 14 A 136) HE2
HIS( 14 A 137) HE2
HIS( 14 A 138) HD1
HIS( 14 A 139) HE2
HIS( 14 A 140) HE2
HIS( 14 A 141) HE2
HIS( 14 A 142) HD1
ASP( 15 A 4) HD2
GLU( 15 A 23) HE2
ASP( 15 A 28) HD2
ASP( 15 A 29) HD2
ASP( 15 A 36) HD2
ASP( 15 A 44) HD2
GLU( 15 A 50) HE2
ASP( 15 A 53) HD2
GLU( 15 A 60) HE2
GLU( 15 A 64) HE2
ASP( 15 A 69) HD2
ASP( 15 A 76) HD2
GLU( 15 A 78) HE2
GLU( 15 A 81) HE2
ASP( 15 A 85) HD2
ASP( 15 A 100) HD2
HIS( 15 A 111) HE2
GLU( 15 A 115) HE2
ASP( 15 A 125) HD2
GLU( 15 A 131) HE2
GLU( 15 A 136) HE2
HIS( 15 A 137) HE2
HIS( 15 A 138) HE2
HIS( 15 A 139) HD1
HIS( 15 A 140) HE2
HIS( 15 A 141) HD1
HIS( 15 A 142) HD1
ASP( 16 A 4) HD2
GLU( 16 A 23) HE2
ASP( 16 A 28) HD2
ASP( 16 A 29) HD2
ASP( 16 A 36) HD2
ASP( 16 A 44) HD2
GLU( 16 A 50) HE2
ASP( 16 A 53) HD2
GLU( 16 A 60) HE2
GLU( 16 A 64) HE2
ASP( 16 A 69) HD2
ASP( 16 A 76) HD2
GLU( 16 A 78) HE2
GLU( 16 A 81) HE2
ASP( 16 A 85) HD2
ASP( 16 A 100) HD2
HIS( 16 A 111) HE2
GLU( 16 A 115) HE2
ASP( 16 A 125) HD2
GLU( 16 A 131) HE2
GLU( 16 A 136) HE2
HIS( 16 A 137) HE2
HIS( 16 A 138) HE2
HIS( 16 A 139) HD1
HIS( 16 A 140) HD1
HIS( 16 A 141) HD1
HIS( 16 A 142) HD1
ASP( 17 A 4) HD2
GLU( 17 A 23) HE2
ASP( 17 A 28) HD2
ASP( 17 A 29) HD2
ASP( 17 A 36) HD2
ASP( 17 A 44) HD2
GLU( 17 A 50) HE2
ASP( 17 A 53) HD2
GLU( 17 A 60) HE2
GLU( 17 A 64) HE2
ASP( 17 A 69) HD2
ASP( 17 A 76) HD2
GLU( 17 A 78) HE2
GLU( 17 A 81) HE2
ASP( 17 A 85) HD2
ASP( 17 A 100) HD2
HIS( 17 A 111) HD1
GLU( 17 A 115) HE2
ASP( 17 A 125) HD2
GLU( 17 A 131) HE2
GLU( 17 A 136) HE2
HIS( 17 A 137) HE2
HIS( 17 A 138) HE2
HIS( 17 A 139) HE2
HIS( 17 A 140) HE2
HIS( 17 A 141) HD1
HIS( 17 A 142) HD1
ASP( 18 A 4) HD2
GLU( 18 A 23) HE2
ASP( 18 A 28) HD2
ASP( 18 A 29) HD2
ASP( 18 A 36) HD2
ASP( 18 A 44) HD2
GLU( 18 A 50) HE2
ASP( 18 A 53) HD2
GLU( 18 A 60) HE2
GLU( 18 A 64) HE2
ASP( 18 A 69) HD2
ASP( 18 A 76) HD2
GLU( 18 A 78) HE2
GLU( 18 A 81) HE2
ASP( 18 A 85) HD2
ASP( 18 A 100) HD2
HIS( 18 A 111) HD1
GLU( 18 A 115) HE2
ASP( 18 A 125) HD2
GLU( 18 A 131) HE2
GLU( 18 A 136) HE2
HIS( 18 A 137) HD1
HIS( 18 A 138) HE2
HIS( 18 A 139) HE2
HIS( 18 A 140) HD1
HIS( 18 A 141) HE2
HIS( 18 A 142) HE2
ASP( 19 A 4) HD2
GLU( 19 A 23) HE2
ASP( 19 A 28) HD2
ASP( 19 A 29) HD2
ASP( 19 A 36) HD2
ASP( 19 A 44) HD2
GLU( 19 A 50) HE2
ASP( 19 A 53) HD2
GLU( 19 A 60) HE2
GLU( 19 A 64) HE2
ASP( 19 A 69) HD2
ASP( 19 A 76) HD2
GLU( 19 A 78) HE2
GLU( 19 A 81) HE2
ASP( 19 A 85) HD2
ASP( 19 A 100) HD2
HIS( 19 A 111) HD1
GLU( 19 A 115) HE2
ASP( 19 A 125) HD2
GLU( 19 A 131) HE2
GLU( 19 A 136) HE2
HIS( 19 A 137) HE2
HIS( 19 A 138) HE2
HIS( 19 A 139) HD1
HIS( 19 A 140) HE2
HIS( 19 A 141) HE2
HIS( 19 A 142) HE2
ASP( 20 A 4) HD2
GLU( 20 A 23) HE2
ASP( 20 A 28) HD2
ASP( 20 A 29) HD2
ASP( 20 A 36) HD2
ASP( 20 A 44) HD2
GLU( 20 A 50) HE2
ASP( 20 A 53) HD2
GLU( 20 A 60) HE2
GLU( 20 A 64) HE2
ASP( 20 A 69) HD2
ASP( 20 A 76) HD2
GLU( 20 A 78) HE2
GLU( 20 A 81) HE2
ASP( 20 A 85) HD2
ASP( 20 A 100) HD2
HIS( 20 A 111) HD1
GLU( 20 A 115) HE2
ASP( 20 A 125) HD2
GLU( 20 A 131) HE2
GLU( 20 A 136) HE2
HIS( 20 A 137) HD1
HIS( 20 A 138) HE2
HIS( 20 A 139) HD1
HIS( 20 A 140) HD1
HIS( 20 A 141) HE2
HIS( 20 A 142) HE2
==> The following residues have extra atoms:
RES MOD#C SEQ ATOMS
HIS( 1 A 142) O2
HIS( 2 A 142) O2
HIS( 3 A 142) O2
HIS( 4 A 142) O2
HIS( 5 A 142) O2
HIS( 6 A 142) O2
HIS( 7 A 142) O2
HIS( 8 A 142) O2
HIS( 9 A 142) O2
HIS( 10 A 142) O2
HIS( 11 A 142) O2
HIS( 12 A 142) O2
HIS( 13 A 142) O2
HIS( 14 A 142) O2
HIS( 15 A 142) O2
HIS( 16 A 142) O2
HIS( 17 A 142) O2
HIS( 18 A 142) O2
HIS( 19 A 142) O2
HIS( 20 A 142) 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
STR70_R3_em_bcr3.pdb: Missing KEYWDS records
STR70_R3_em_bcr3.pdb: Missing TITLE record