Detailed results of DRR147D_R3_em_bcr3 by PSVS
Output from PDBStat
Constraints analysis
table of NOE constraints
# -------------- SUMMARY OF RESTRAINTS ---------------
# TOTAL NUMBER OF NOE RESTRAINTS : 1362
# INTRA-RESIDUE RESTRAINTS (I=J) : 260
# SEQUENTIAL RESTRAINTS (I-J)=1 : 478
# BACKBONE-BACKBONE : 105
# BACKBONE-SIDE CHAIN : 28
# SIDE CHAIN-SIDE CHAIN : 345
# MEDIUM RANGE RESTRAINTS 1<(I-J)<5 : 144
# BACKBONE-BACKBONE : 24
# BACKBONE-SIDE CHAIN : 28
# SIDE CHAIN-SIDE CHAIN : 92
# LONG RANGE RESTRAINTS (I-J)>=5 : 480
# TOTAL HYDROGEN BOND RESTRAINTS : 0
# LONG RANGE H-BOND RESTR. (I-J)>=5 : 0
# DISULFIDE RESTRAINTS : 0
# INTRA-CHAIN RESTRAINTS : 1362
# 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
GLY 2 0 0.0 0.0 0.0 0.0 0.0
GLU 3 0 2.0 2.0 0.0 0.0 0.0
THR 4 0 4.0 4.0 0.0 0.0 0.0
VAL 5 1 7.0 3.5 0.0 3.5 0.0
VAL 6 0 7.5 5.0 0.0 2.5 0.0
ARG 7 4 9.0 8.0 0.0 1.0 0.0
ASP 8 0 12.0 6.5 0.0 5.5 0.0
ALA 9 0 14.0 4.0 0.0 10.0 0.0
VAL 10 0 22.5 4.5 0.5 17.5 0.0
THR 11 2 13.0 4.5 0.0 8.5 0.0
ILE 12 5 26.0 5.5 3.5 17.0 0.0
GLY 13 0 9.0 4.0 0.0 5.0 0.0
LYS 14 14 22.5 7.0 3.0 12.5 0.0
PRO 15 0 15.0 11.0 4.0 0.0 0.0
ALA 16 0 17.0 6.0 4.5 6.5 0.0
GLU 17 4 9.0 5.0 3.5 0.5 0.0
GLN 18 5 12.0 6.5 5.5 0.0 0.0
LEU 19 6 30.5 5.5 6.5 18.5 0.0
TYR 20 4 12.0 5.0 1.5 5.5 0.0
ALA 21 1 7.5 4.5 2.5 0.5 0.0
VAL 22 3 10.5 2.0 2.5 6.0 0.0
TRP 23 0 0.5 0.5 0.0 0.0 0.0
ARG 24 7 2.0 2.0 0.0 0.0 0.0
ASP 25 3 2.5 2.5 0.0 0.0 0.0
LEU 26 3 12.5 5.5 0.5 6.5 0.0
PRO 27 0 6.5 6.5 0.0 0.0 0.0
GLY 28 0 3.0 2.0 1.0 0.0 0.0
LEU 29 7 6.0 0.0 2.5 3.5 0.0
PRO 30 0 0.0 0.0 0.0 0.0 0.0
LEU 31 4 1.5 0.5 1.0 0.0 0.0
LEU 32 2 6.5 2.5 2.5 1.5 0.0
MET 33 0 2.0 2.0 0.0 0.0 0.0
THR 34 0 0.0 0.0 0.0 0.0 0.0
HIS 35 0 0.0 0.0 0.0 0.0 0.0
LEU 36 0 0.0 0.0 0.0 0.0 0.0
ARG 37 2 2.5 2.5 0.0 0.0 0.0
SER 38 0 3.5 3.5 0.0 0.0 0.0
VAL 39 0 5.5 2.0 0.0 3.5 0.0
GLU 40 3 4.0 4.0 0.0 0.0 0.0
VAL 41 1 7.0 5.5 0.5 1.0 0.0
LEU 42 2 7.0 6.0 0.0 1.0 0.0
ASP 43 0 6.5 5.5 1.0 0.0 0.0
ASP 44 2 5.5 4.0 0.0 1.5 0.0
LYS 45 18 9.0 6.5 0.0 2.5 0.0
ARG 46 7 9.0 8.5 0.5 0.0 0.0
SER 47 0 8.0 5.5 0.0 2.5 0.0
ARG 48 2 2.0 1.5 0.0 0.5 0.0
TRP 49 0 0.0 0.0 0.0 0.0 0.0
THR 50 0 0.0 0.0 0.0 0.0 0.0
VAL 51 0 2.5 1.0 0.0 1.5 0.0
GLU 52 2 3.0 3.0 0.0 0.0 0.0
ALA 53 0 3.0 3.0 0.0 0.0 0.0
PRO 54 0 4.0 4.0 0.0 0.0 0.0
ALA 55 0 7.0 4.5 2.5 0.0 0.0
PRO 56 0 10.0 6.0 0.5 3.5 0.0
LEU 57 5 9.0 6.5 1.0 1.5 0.0
GLY 58 0 4.0 2.0 2.0 0.0 0.0
ALA 59 0 0.0 0.0 0.0 0.0 0.0
VAL 60 0 3.0 0.5 0.0 2.5 0.0
SER 61 0 0.5 0.5 0.0 0.0 0.0
TRP 62 0 1.5 1.5 0.0 0.0 0.0
GLU 63 3 15.0 5.0 0.0 10.0 0.0
ALA 64 0 8.5 4.0 0.0 4.5 0.0
GLU 65 2 16.5 4.0 0.0 12.5 0.0
LEU 66 1 21.0 7.0 3.0 11.0 0.0
THR 67 0 14.5 5.0 0.0 9.5 0.0
ALA 68 1 12.0 3.0 4.5 4.5 0.0
ASP 69 3 5.0 4.0 0.0 1.0 0.0
GLU 70 3 12.5 2.5 8.5 1.5 0.0
PRO 71 0 0.0 0.0 0.0 0.0 0.0
GLY 72 0 3.0 0.0 0.5 2.5 0.0
LYS 73 13 7.5 3.0 3.0 1.5 0.0
ARG 74 4 19.0 6.0 4.5 8.5 0.0
ILE 75 2 18.0 6.0 0.0 12.0 0.0
ALA 76 0 14.5 4.0 1.0 9.5 0.0
TRP 77 1 11.0 3.0 0.0 8.0 0.0
ARG 78 2 12.5 4.5 0.0 8.0 0.0
SER 79 0 6.5 2.5 0.5 3.5 0.0
LEU 80 4 36.0 7.0 2.5 26.5 0.0
PRO 81 0 8.5 8.5 0.0 0.0 0.0
GLY 82 0 4.5 2.0 2.5 0.0 0.0
ALA 83 0 2.5 1.5 0.5 0.5 0.0
ARG 84 1 1.0 1.0 0.0 0.0 0.0
ILE 85 0 0.0 0.0 0.0 0.0 0.0
GLU 86 0 0.0 0.0 0.0 0.0 0.0
ASN 87 0 2.0 2.0 0.0 0.0 0.0
SER 88 0 3.5 2.0 0.0 1.5 0.0
GLY 89 0 0.5 0.0 0.0 0.5 0.0
GLU 90 0 8.0 2.5 1.5 4.0 0.0
VAL 91 1 20.0 4.5 0.5 15.0 0.0
LEU 92 4 14.5 5.0 1.5 8.0 0.0
PHE 93 0 21.5 5.0 0.5 16.0 0.0
ARG 94 7 14.5 3.5 0.0 11.0 0.0
PRO 95 0 3.5 3.5 0.0 0.0 0.0
ALA 96 1 18.0 4.0 3.5 10.5 0.0
PRO 97 0 4.5 4.0 0.5 0.0 0.0
GLY 98 0 2.5 2.5 0.0 0.0 0.0
ALA 99 2 3.0 2.0 1.0 0.0 0.0
ARG 100 9 8.5 5.0 3.0 0.5 0.0
GLY 101 0 13.0 5.5 0.0 7.5 0.0
THR 102 1 17.5 4.5 1.0 12.0 0.0
GLU 103 6 27.0 7.5 5.0 14.5 0.0
VAL 104 1 27.0 7.0 1.5 18.5 0.0
VAL 105 1 24.5 4.5 5.0 15.0 0.0
VAL 106 1 11.0 5.0 0.5 5.5 0.0
ARG 107 2 5.5 4.5 0.0 1.0 0.0
LEU 108 0 7.5 3.5 2.0 2.0 0.0
THR 109 0 5.5 3.0 0.0 2.5 0.0
TYR 110 0 9.5 5.0 2.0 2.5 0.0
ARG 111 6 3.5 3.5 0.0 0.0 0.0
PRO 112 0 0.0 0.0 0.0 0.0 0.0
PRO 113 0 0.0 0.0 0.0 0.0 0.0
GLY 114 0 0.0 0.0 0.0 0.0 0.0
GLY 115 0 0.5 0.5 0.0 0.0 0.0
SER 116 0 3.0 2.0 1.0 0.0 0.0
ALA 117 1 2.0 2.0 0.0 0.0 0.0
GLY 118 0 1.5 1.5 0.0 0.0 0.0
ALA 119 0 3.5 2.5 1.0 0.0 0.0
VAL 120 1 4.0 2.5 1.5 0.0 0.0
ILE 121 0 2.5 2.5 0.0 0.0 0.0
ALA 122 0 2.0 2.0 0.0 0.0 0.0
ARG 123 4 4.5 3.0 1.5 0.0 0.0
MET 124 0 2.5 2.5 0.0 0.0 0.0
PHE 125 0 0.0 0.0 0.0 0.0 0.0
ASN 126 0 0.0 0.0 0.0 0.0 0.0
GLN 127 0 0.0 0.0 0.0 0.0 0.0
GLU 128 0 0.0 0.0 0.0 0.0 0.0
PRO 129 0 0.0 0.0 0.0 0.0 0.0
SER 130 0 0.0 0.0 0.0 0.0 0.0
GLN 131 0 0.0 0.0 0.0 0.0 0.0
GLN 132 0 0.0 0.0 0.0 0.0 0.0
LEU 133 0 0.0 0.0 0.0 0.0 0.0
ARG 134 2 0.5 0.5 0.0 0.0 0.0
ASP 135 0 2.0 2.0 0.0 0.0 0.0
ASP 136 0 2.0 2.0 0.0 0.0 0.0
LEU 137 3 16.5 3.5 2.0 11.0 0.0
MET 138 4 6.5 4.5 1.5 0.5 0.0
ARG 139 2 4.5 4.5 0.0 0.0 0.0
PHE 140 0 19.0 5.0 4.0 10.0 0.0
LYS 141 5 14.0 5.5 1.5 7.0 0.0
ARG 142 10 8.0 6.5 0.5 1.0 0.0
GLU 143 9 15.0 5.5 9.5 0.0 0.0
GLN 144 8 15.5 5.5 0.0 10.0 0.0
GLU 145 3 9.0 5.0 0.0 4.0 0.0
LEU 146 1 10.5 4.0 6.5 0.0 0.0
GLY 147 0 2.5 2.0 0.5 0.0 0.0
LEU 148 3 1.5 1.5 0.0 0.0 0.0
GLU 149 3 1.5 1.5 0.0 0.0 0.0
HIS 150 0 0.0 0.0 0.0 0.0 0.0
HIS 151 0 0.0 0.0 0.0 0.0 0.0
HIS 152 0 0.0 0.0 0.0 0.0 0.0
HIS 153 0 0.0 0.0 0.0 0.0 0.0
HIS 154 0 0.0 0.0 0.0 0.0 0.0
HIS 155 0 0.0 0.0 0.0 0.0 0.0
# TOTAL 260 1102.0 478.0 144.0 480.0 0.0
# TOTAL NUMBER OF RESTRAINTS (CHECKING): 1362.0
List of conformationally-resticting NOE constraints
assign ((resid 3 and name HB2 )) ( (resid 4 and name HN )) 5.24 5.24 0.00
assign ((resid 3 and name HB1 )) ( (resid 4 and name HN )) 5.24 5.24 0.00
assign ((resid 4 and name HA )) ( (resid 5 and name HN )) 3.12 3.12 0.00
assign ((resid 6 and name HA )) ( (resid 7 and name HN )) 3.05 3.05 0.00
assign ((resid 6 and name HB )) ( (resid 7 and name HN )) 5.28 5.28 0.00
assign ((resid 7 and name HA )) ( (resid 8 and name HN )) 3.26 3.26 0.00
assign ((resid 7 and name HB2 )) ( (resid 8 and name HN )) 4.52 4.52 0.00
assign ((resid 7 and name HB1 )) ( (resid 8 and name HN )) 4.52 4.52 0.00
assign ((resid 8 and name HN )) ( (resid 9 and name HN )) 5.35 5.35 0.00
assign ((resid 8 and name HB2 )) ( (resid 9 and name HN )) 4.78 4.78 0.00
assign ((resid 8 and name HB1 )) ( (resid 9 and name HN )) 4.78 4.78 0.00
assign ((resid 9 and name HA )) ( (resid 10 and name HN )) 3.30 3.30 0.00
assign ((resid 10 and name HN )) ( (resid 11 and name HN )) 4.88 4.88 0.00
assign ((resid 10 and name HA )) ( (resid 11 and name HN )) 3.34 3.34 0.00
assign ((resid 10 and name HB )) ( (resid 11 and name HN )) 3.23 3.23 0.00
assign ((resid 11 and name HA )) ( (resid 12 and name HN )) 3.34 3.34 0.00
assign ((resid 11 and name HB )) ( (resid 12 and name HN )) 4.60 4.60 0.00
assign ((resid 12 and name HA )) ( (resid 13 and name HN )) 3.05 3.05 0.00
assign ((resid 12 and name HB )) ( (resid 13 and name HN )) 5.03 5.03 0.00
assign ((resid 13 and name HN )) ( (resid 14 and name HN )) 5.06 5.06 0.00
assign ((resid 15 and name HB2 )) ( (resid 16 and name HN )) 3.59 3.59 0.00
assign ((resid 15 and name HB1 )) ( (resid 16 and name HN )) 3.98 3.98 0.00
assign ((resid 17 and name HB1 )) ( (resid 18 and name HN )) 4.09 4.09 0.00
assign ((resid 18 and name HN )) ( (resid 19 and name HN )) 3.23 3.23 0.00
assign ((resid 18 and name HB2 )) ( (resid 19 and name HN )) 4.45 4.45 0.00
assign ((resid 18 and name HB1 )) ( (resid 19 and name HN )) 4.45 4.45 0.00
assign ((resid 19 and name HN )) ( (resid 20 and name HN )) 3.34 3.34 0.00
assign ((resid 19 and name HB2 )) ( (resid 20 and name HN )) 4.24 4.24 0.00
assign ((resid 20 and name HB2 )) ( (resid 21 and name HN )) 4.63 4.63 0.00
assign ((resid 20 and name HB1 )) ( (resid 21 and name HN )) 4.63 4.63 0.00
assign ((resid 21 and name HN )) ( (resid 22 and name HN )) 3.62 3.62 0.00
assign ((resid 23 and name HN )) ( (resid 24 and name HN )) 4.09 4.09 0.00
assign ((resid 24 and name HB2 )) ( (resid 25 and name HN )) 5.06 5.06 0.00
assign ((resid 24 and name HB1 )) ( (resid 25 and name HN )) 5.06 5.06 0.00
assign ((resid 25 and name HA )) ( (resid 26 and name HN )) 3.16 3.16 0.00
assign ((resid 27 and name HA )) ( (resid 28 and name HN )) 3.41 3.41 0.00
assign ((resid 27 and name HB2 )) ( (resid 28 and name HN )) 4.56 4.56 0.00
assign ((resid 27 and name HB1 )) ( (resid 28 and name HN )) 4.56 4.56 0.00
assign ((resid 31 and name HN )) ( (resid 32 and name HN )) 4.20 4.20 0.00
assign ((resid 32 and name HB2 )) ( (resid 33 and name HN )) 4.81 4.81 0.00
assign ((resid 32 and name HB1 )) ( (resid 33 and name HN )) 4.81 4.81 0.00
assign ((resid 37 and name HN )) ( (resid 38 and name HN )) 4.38 4.38 0.00
assign ((resid 37 and name HB2 )) ( (resid 38 and name HN )) 6.00 6.00 0.00
assign ((resid 37 and name HB1 )) ( (resid 38 and name HN )) 6.00 6.00 0.00
assign ((resid 38 and name HB2 )) ( (resid 39 and name HN )) 4.99 4.99 0.00
assign ((resid 38 and name HB1 )) ( (resid 39 and name HN )) 4.99 4.99 0.00
assign ((resid 39 and name HB )) ( (resid 40 and name HN )) 4.60 4.60 0.00
assign ((resid 40 and name HA )) ( (resid 41 and name HN )) 2.90 2.90 0.00
assign ((resid 40 and name HB2 )) ( (resid 41 and name HN )) 5.42 5.42 0.00
assign ((resid 40 and name HB1 )) ( (resid 41 and name HN )) 5.42 5.42 0.00
assign ((resid 41 and name HA )) ( (resid 42 and name HN )) 3.34 3.34 0.00
assign ((resid 42 and name HN )) ( (resid 43 and name HN )) 3.05 3.05 0.00
assign ((resid 42 and name HB2 )) ( (resid 43 and name HN )) 3.84 3.84 0.00
assign ((resid 42 and name HB1 )) ( (resid 43 and name HN )) 3.84 3.84 0.00
assign ((resid 43 and name HA )) ( (resid 44 and name HN )) 3.37 3.37 0.00
assign ((resid 46 and name HA )) ( (resid 47 and name HN )) 2.83 2.83 0.00
assign ((resid 46 and name HB2 )) ( (resid 47 and name HN )) 4.13 4.13 0.00
assign ((resid 46 and name HB1 )) ( (resid 47 and name HN )) 4.13 4.13 0.00
assign ((resid 47 and name HB2 )) ( (resid 48 and name HN )) 4.52 4.52 0.00
assign ((resid 47 and name HB1 )) ( (resid 48 and name HN )) 4.52 4.52 0.00
assign ((resid 52 and name HA )) ( (resid 53 and name HN )) 3.48 3.48 0.00
assign ((resid 54 and name HA )) ( (resid 55 and name HN )) 3.01 3.01 0.00
assign ((resid 57 and name HN )) ( (resid 58 and name HN )) 3.73 3.73 0.00
assign ((resid 62 and name HA )) ( (resid 63 and name HN )) 3.30 3.30 0.00
assign ((resid 62 and name HB2 )) ( (resid 63 and name HN )) 3.77 3.77 0.00
assign ((resid 62 and name HB1 )) ( (resid 63 and name HN )) 3.77 3.77 0.00
assign ((resid 63 and name HA )) ( (resid 64 and name HN )) 3.41 3.41 0.00
assign ((resid 64 and name HA )) ( (resid 65 and name HN )) 3.44 3.44 0.00
assign ((resid 65 and name HN )) ( (resid 66 and name HN )) 6.00 6.00 0.00
assign ((resid 65 and name HB2 )) ( (resid 66 and name HN )) 4.52 4.52 0.00
assign ((resid 66 and name HB1 )) ( (resid 67 and name HN )) 6.00 6.00 0.00
assign ((resid 67 and name HN )) ( (resid 68 and name HN )) 3.05 3.05 0.00
assign ((resid 67 and name HB )) ( (resid 68 and name HN )) 5.03 5.03 0.00
assign ((resid 68 and name HA )) ( (resid 69 and name HN )) 2.87 2.87 0.00
assign ((resid 69 and name HA )) ( (resid 70 and name HN )) 3.23 3.23 0.00
assign ((resid 69 and name HB2 )) ( (resid 70 and name HN )) 5.64 5.64 0.00
assign ((resid 69 and name HB1 )) ( (resid 70 and name HN )) 5.64 5.64 0.00
assign ((resid 73 and name HN )) ( (resid 74 and name HN )) 2.90 2.90 0.00
assign ((resid 73 and name HB1 )) ( (resid 74 and name HN )) 3.98 3.98 0.00
assign ((resid 74 and name HA )) ( (resid 75 and name HN )) 3.16 3.16 0.00
assign ((resid 74 and name HB2 )) ( (resid 75 and name HN )) 6.00 6.00 0.00
assign ((resid 74 and name HB1 )) ( (resid 75 and name HN )) 6.00 6.00 0.00
assign ((resid 75 and name HA )) ( (resid 76 and name HN )) 3.26 3.26 0.00
assign ((resid 76 and name HA )) ( (resid 77 and name HN )) 3.44 3.44 0.00
assign ((resid 77 and name HA )) ( (resid 78 and name HN )) 3.44 3.44 0.00
assign ((resid 77 and name HB2 )) ( (resid 78 and name HN )) 3.95 3.95 0.00
assign ((resid 77 and name HB1 )) ( (resid 78 and name HN )) 3.95 3.95 0.00
assign ((resid 78 and name HA )) ( (resid 79 and name HN )) 3.30 3.30 0.00
assign ((resid 81 and name HB2 )) ( (resid 82 and name HN )) 4.49 4.49 0.00
assign ((resid 87 and name HA )) ( (resid 88 and name HN )) 3.37 3.37 0.00
assign ((resid 87 and name HB2 )) ( (resid 88 and name HN )) 4.74 4.74 0.00
assign ((resid 87 and name HB1 )) ( (resid 88 and name HN )) 4.74 4.74 0.00
assign ((resid 91 and name HA )) ( (resid 92 and name HN )) 3.48 3.48 0.00
assign ((resid 92 and name HA )) ( (resid 93 and name HN )) 3.48 3.48 0.00
assign ((resid 93 and name HN )) ( (resid 94 and name HN )) 5.14 5.14 0.00
assign ((resid 93 and name HB1 )) ( (resid 94 and name HN )) 6.00 6.00 0.00
assign ((resid 95 and name HA )) ( (resid 96 and name HN )) 2.87 2.87 0.00
assign ((resid 95 and name HB1 )) ( (resid 96 and name HN )) 4.20 4.20 0.00
assign ((resid 97 and name HA )) ( (resid 98 and name HN )) 2.76 2.76 0.00
assign ((resid 97 and name HB2 )) ( (resid 98 and name HN )) 4.13 4.13 0.00
assign ((resid 98 and name HN )) ( (resid 99 and name HN )) 3.34 3.34 0.00
assign ((resid 99 and name HA )) ( (resid 100 and name HN )) 3.41 3.41 0.00
assign ((resid 100 and name HN )) ( (resid 101 and name HN )) 3.37 3.37 0.00
assign ((resid 100 and name HA )) ( (resid 101 and name HN )) 3.52 3.52 0.00
assign ((resid 100 and name HB2 )) ( (resid 101 and name HN )) 4.45 4.45 0.00
assign ((resid 100 and name HB1 )) ( (resid 101 and name HN )) 4.45 4.45 0.00
assign ((resid 101 and name HA2 )) ( (resid 102 and name HN )) 3.30 3.30 0.00
assign ((resid 101 and name HA1 )) ( (resid 102 and name HN )) 3.30 3.30 0.00
assign ((resid 102 and name HA )) ( (resid 103 and name HN )) 3.16 3.16 0.00
assign ((resid 102 and name HB )) ( (resid 103 and name HN )) 5.17 5.17 0.00
assign ((resid 103 and name HA )) ( (resid 104 and name HN )) 3.34 3.34 0.00
assign ((resid 103 and name HB1 )) ( (resid 104 and name HN )) 5.28 5.28 0.00
assign ((resid 104 and name HN )) ( (resid 105 and name HN )) 5.75 5.75 0.00
assign ((resid 104 and name HA )) ( (resid 105 and name HN )) 3.34 3.34 0.00
assign ((resid 105 and name HA )) ( (resid 106 and name HN )) 3.19 3.19 0.00
assign ((resid 105 and name HB )) ( (resid 106 and name HN )) 5.06 5.06 0.00
assign ((resid 106 and name HN )) ( (resid 107 and name HN )) 4.31 4.31 0.00
assign ((resid 106 and name HA )) ( (resid 107 and name HN )) 3.48 3.48 0.00
assign ((resid 106 and name HB )) ( (resid 107 and name HN )) 5.21 5.21 0.00
assign ((resid 107 and name HB2 )) ( (resid 108 and name HN )) 6.00 6.00 0.00
assign ((resid 107 and name HB1 )) ( (resid 108 and name HN )) 6.00 6.00 0.00
assign ((resid 108 and name HA )) ( (resid 109 and name HN )) 3.30 3.30 0.00
assign ((resid 109 and name HA )) ( (resid 110 and name HN )) 3.37 3.37 0.00
assign ((resid 109 and name HB )) ( (resid 110 and name HN )) 5.42 5.42 0.00
assign ((resid 110 and name HA )) ( (resid 111 and name HN )) 3.48 3.48 0.00
assign ((resid 110 and name HB2 )) ( (resid 111 and name HN )) 5.06 5.06 0.00
assign ((resid 110 and name HB1 )) ( (resid 111 and name HN )) 5.06 5.06 0.00
assign ((resid 115 and name HN )) ( (resid 116 and name HN )) 6.00 6.00 0.00
assign ((resid 117 and name HN )) ( (resid 118 and name HN )) 3.59 3.59 0.00
assign ((resid 119 and name HN )) ( (resid 120 and name HN )) 4.27 4.27 0.00
assign ((resid 121 and name HN )) ( (resid 122 and name HN )) 4.96 4.96 0.00
assign ((resid 134 and name HN )) ( (resid 135 and name HN )) 6.00 6.00 0.00
assign ((resid 135 and name HN )) ( (resid 136 and name HN )) 4.45 4.45 0.00
assign ((resid 135 and name HB2 )) ( (resid 136 and name HN )) 6.00 6.00 0.00
assign ((resid 135 and name HB1 )) ( (resid 136 and name HN )) 6.00 6.00 0.00
assign ((resid 136 and name HN )) ( (resid 137 and name HN )) 5.64 5.64 0.00
assign ((resid 137 and name HB2 )) ( (resid 138 and name HN )) 5.35 5.35 0.00
assign ((resid 137 and name HB1 )) ( (resid 138 and name HN )) 5.35 5.35 0.00
assign ((resid 138 and name HN )) ( (resid 139 and name HN )) 5.17 5.17 0.00
assign ((resid 139 and name HB2 )) ( (resid 140 and name HN )) 4.34 4.34 0.00
assign ((resid 139 and name HB1 )) ( (resid 140 and name HN )) 4.34 4.34 0.00
assign ((resid 140 and name HB2 )) ( (resid 141 and name HN )) 6.00 6.00 0.00
assign ((resid 140 and name HB1 )) ( (resid 141 and name HN )) 6.00 6.00 0.00
assign ((resid 141 and name HN )) ( (resid 142 and name HN )) 4.24 4.24 0.00
assign ((resid 141 and name HB2 )) ( (resid 142 and name HN )) 4.63 4.63 0.00
assign ((resid 141 and name HB1 )) ( (resid 142 and name HN )) 4.63 4.63 0.00
assign ((resid 142 and name HN )) ( (resid 143 and name HN )) 3.66 3.66 0.00
assign ((resid 144 and name HN )) ( (resid 145 and name HN )) 6.00 6.00 0.00
assign ((resid 144 and name HB2 )) ( (resid 145 and name HN )) 4.27 4.27 0.00
assign ((resid 144 and name HB1 )) ( (resid 145 and name HN )) 4.27 4.27 0.00
assign ((resid 5 and name HN )) ( (resid 5 and name HB )) 3.37 3.37 0.00
assign ((resid 11 and name HN )) ( (resid 11 and name HB )) 3.16 3.16 0.00
assign ((resid 12 and name HN )) ( (resid 12 and name HB )) 3.44 3.44 0.00
assign ((resid 17 and name HN )) ( (resid 17 and name HB2 )) 3.37 3.37 0.00
assign ((resid 17 and name HN )) ( (resid 17 and name HB1 )) 3.37 3.37 0.00
assign ((resid 19 and name HN )) ( (resid 19 and name HB2 )) 3.84 3.84 0.00
assign ((resid 19 and name HN )) ( (resid 19 and name HB1 )) 3.84 3.84 0.00
assign ((resid 20 and name HN )) ( (resid 20 and name HB2 )) 3.95 3.95 0.00
assign ((resid 20 and name HN )) ( (resid 20 and name HB1 )) 3.95 3.95 0.00
assign ((resid 22 and name HN )) ( (resid 22 and name HB )) 3.26 3.26 0.00
assign ((resid 24 and name HN )) ( (resid 24 and name HB2 )) 3.98 3.98 0.00
assign ((resid 24 and name HN )) ( (resid 24 and name HB1 )) 3.98 3.98 0.00
assign ((resid 25 and name HN )) ( (resid 25 and name HB2 )) 3.30 3.30 0.00
assign ((resid 25 and name HN )) ( (resid 25 and name HB1 )) 3.30 3.30 0.00
assign ((resid 29 and name HN )) ( (resid 29 and name HB2 )) 4.02 4.02 0.00
assign ((resid 29 and name HN )) ( (resid 29 and name HB1 )) 4.02 4.02 0.00
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assign ((resid 94 and name HB2 )) ( (resid 105 and name HG1* )) 10.12 10.12 0.00
assign ((resid 94 and name HB1 )) ( (resid 105 and name HG1* )) 10.12 10.12 0.00
assign ((resid 94 and name HG* )) ( (resid 105 and name HG* )) 6.74 6.74 0.00
assign ((resid 94 and name HD* )) ( (resid 105 and name HG* )) 6.57 6.57 0.00
assign ((resid 95 and name HB* )) ( (resid 96 and name HN )) 3.98 3.98 0.00
assign ((resid 96 and name HA )) ( (resid 103 and name HB* )) 5.41 5.41 0.00
assign ((resid 96 and name HB* )) ( (resid 97 and name HG* )) 6.56 6.56 0.00
assign ((resid 96 and name HB* )) ( (resid 97 and name HD* )) 4.43 4.43 0.00
assign ((resid 96 and name HB* )) ( (resid 100 and name HB* )) 4.92 4.92 0.00
assign ((resid 96 and name HB* )) ( (resid 103 and name HB* )) 5.97 5.97 0.00
assign ((resid 96 and name HB* )) ( (resid 103 and name HG* )) 7.90 7.90 0.00
assign ((resid 97 and name HB* )) ( (resid 98 and name HN )) 3.92 3.92 0.00
assign ((resid 97 and name HB* )) ( (resid 100 and name HN )) 5.84 5.84 0.00
assign ((resid 100 and name HN )) ( (resid 100 and name HB* )) 3.42 3.42 0.00
assign ((resid 100 and name HB* )) ( (resid 101 and name HN )) 4.24 4.24 0.00
assign ((resid 101 and name HA* )) ( (resid 102 and name HA )) 5.69 5.69 0.00
assign ((resid 102 and name HG2* )) ( (resid 103 and name HB* )) 7.90 7.90 0.00
assign ((resid 103 and name HN )) ( (resid 103 and name HB* )) 3.74 3.74 0.00
assign ((resid 103 and name HN )) ( (resid 103 and name HG* )) 5.32 5.32 0.00
assign ((resid 103 and name HB* )) ( (resid 104 and name HG1* )) 7.90 7.90 0.00
assign ((resid 103 and name HB* )) ( (resid 105 and name HG* )) 8.12 8.12 0.00
assign ((resid 103 and name HB2 )) ( (resid 105 and name HG1* )) 10.12 10.12 0.00
assign ((resid 103 and name HB1 )) ( (resid 105 and name HG1* )) 10.12 10.12 0.00
assign ((resid 103 and name HG* )) ( (resid 105 and name HG* )) 6.40 6.40 0.00
assign ((resid 103 and name HG2 )) ( (resid 105 and name HG1* )) 8.43 8.43 0.00
assign ((resid 104 and name HG1* )) ( (resid 144 and name HG* )) 7.90 7.90 0.00
assign ((resid 108 and name HB* )) ( (resid 110 and name HE* )) 9.01 9.01 0.00
assign ((resid 108 and name HD2* )) ( (resid 110 and name HB* )) 7.90 7.90 0.00
assign ((resid 118 and name HA* )) ( (resid 119 and name HA )) 5.19 5.19 0.00
assign ((resid 119 and name HN )) ( (resid 120 and name HG* )) 7.96 7.96 0.00
assign ((resid 120 and name HA )) ( (resid 123 and name HB* )) 5.59 5.59 0.00
assign ((resid 137 and name HN )) ( (resid 137 and name HB* )) 3.90 3.90 0.00
assign ((resid 137 and name HA )) ( (resid 140 and name HB* )) 5.19 5.19 0.00
assign ((resid 138 and name HA )) ( (resid 141 and name HB* )) 5.33 5.33 0.00
assign ((resid 139 and name HB* )) ( (resid 140 and name HN )) 4.16 4.16 0.00
assign ((resid 140 and name HA )) ( (resid 143 and name HB* )) 4.92 4.92 0.00
assign ((resid 140 and name HA )) ( (resid 143 and name HG* )) 6.88 6.88 0.00
assign ((resid 141 and name HN )) ( (resid 141 and name HB* )) 3.80 3.80 0.00
assign ((resid 141 and name HB* )) ( (resid 142 and name HN )) 4.26 4.26 0.00
assign ((resid 141 and name HG* )) ( (resid 142 and name HN )) 6.88 6.88 0.00
assign ((resid 142 and name HN )) ( (resid 142 and name HB* )) 3.76 3.76 0.00
assign ((resid 142 and name HN )) ( (resid 142 and name HG* )) 4.90 4.90 0.00
assign ((resid 142 and name HG* )) ( (resid 143 and name HN )) 5.10 5.10 0.00
assign ((resid 143 and name HN )) ( (resid 143 and name HB* )) 3.51 3.51 0.00
assign ((resid 143 and name HN )) ( (resid 143 and name HG* )) 4.02 4.02 0.00
assign ((resid 143 and name HA )) ( (resid 143 and name HG* )) 3.83 3.83 0.00
assign ((resid 143 and name HA )) ( (resid 146 and name HD* )) 6.00 6.00 0.00
assign ((resid 143 and name HB* )) ( (resid 146 and name HD* )) 9.45 9.45 0.00
assign ((resid 143 and name HG* )) ( (resid 146 and name HB* )) 7.69 7.69 0.00
assign ((resid 143 and name HG* )) ( (resid 146 and name HD* )) 8.38 8.38 0.00
assign ((resid 143 and name HG2 )) ( (resid 146 and name HD1* )) 10.11 10.11 0.00
assign ((resid 143 and name HG1 )) ( (resid 146 and name HD1* )) 10.11 10.11 0.00
assign ((resid 144 and name HN )) ( (resid 144 and name HB* )) 3.80 3.80 0.00
assign ((resid 144 and name HA )) ( (resid 144 and name HE2* )) 5.87 5.87 0.00
assign ((resid 144 and name HB* )) ( (resid 145 and name HN )) 4.03 4.03 0.00
assign ((resid 145 and name HN )) ( (resid 145 and name HG* )) 3.85 3.85 0.00
assign ((resid 145 and name HG* )) ( (resid 146 and name HN )) 6.88 6.88 0.00
assign ((resid 146 and name HN )) ( (resid 146 and name HB* )) 3.77 3.77 0.00
assign ((resid 148 and name HN )) ( (resid 148 and name HB* )) 3.54 3.54 0.00
assign ((resid 148 and name HB* )) ( (resid 149 and name HN )) 4.14 4.14 0.00
assign ((resid 149 and name HN )) ( (resid 149 and name HG* )) 5.45 5.45 0.00
list of removed NOE constraints
218-> THR 4 HN - VAL 5 HA 0.00 6.00 # NoRestrctn S [2.00 3.99] -- sequential
239-> ALA 59 HN - VAL 60 HA 0.00 4.99 # NoRestrctn S [2.00 3.99] -- sequential
434-> LEU 42 HN - LEU 42 HD1* 0.00 7.02 # NoRestrctn I [2.29 6.01] -- intra
435-> LEU 57 HN - LEU 57 HD2* 0.00 6.98 # NoRestrctn I [2.29 6.01] -- intra
441-> LEU 108 HN - LEU 108 HD1* 0.00 6.16 # NoRestrctn I [2.29 6.01] -- intra
442-> LEU 108 HN - LEU 108 HD2* 0.00 6.30 # NoRestrctn I [2.29 6.01] -- intra
458-> THR 67 HN - ALA 68 HB* 0.00 6.95 # NoRestrctn S [2.00 6.01] -- sequential
756-> LEU 19 HA - LEU 19 HD2* 0.00 7.02 # NoRestrctn I [2.11 5.99] -- intra
757-> LEU 19 HA - LEU 19 HD1* 0.00 6.55 # NoRestrctn I [2.11 5.99] -- intra
758-> LEU 26 HA - LEU 26 HD1* 0.00 7.02 # NoRestrctn I [2.11 5.99] -- intra
759-> LEU 26 HA - LEU 26 HD2* 0.00 7.02 # NoRestrctn I [2.11 5.99] -- intra
761-> LEU 29 HA - LEU 29 HD2* 0.00 7.02 # NoRestrctn I [2.11 5.99] -- intra
762-> LEU 31 HN - LEU 31 HD1* 0.00 6.23 # NoRestrctn I [2.29 6.01] -- intra
768-> LEU 32 HN - LEU 32 HD2* 0.00 6.95 # NoRestrctn I [2.29 6.01] -- intra
769-> LEU 42 HA - LEU 42 HD1* 0.00 7.02 # NoRestrctn I [2.11 5.99] -- intra
770-> LEU 42 HN - LEU 42 HD2* 0.00 7.02 # NoRestrctn I [2.29 6.01] -- intra
771-> LEU 42 HA - LEU 42 HD2* 0.00 7.02 # NoRestrctn I [2.11 5.99] -- intra
772-> LEU 57 HN - LEU 57 HD1* 0.00 6.98 # NoRestrctn I [2.29 6.01] -- intra
775-> LEU 66 HN - LEU 66 HD1* 0.00 7.02 # NoRestrctn I [2.29 6.01] -- intra
777-> LEU 66 HN - LEU 66 HD2* 0.00 7.02 # NoRestrctn I [2.29 6.01] -- intra
778-> LEU 66 HA - LEU 66 HD2* 0.00 6.33 # NoRestrctn I [2.11 5.99] -- intra
779-> ILE 75 HN - ILE 75 HD1* 0.00 7.02 # NoRestrctn I [2.29 6.01] -- intra
785-> LEU 92 HA - LEU 92 HD2* 0.00 6.91 # NoRestrctn I [2.11 5.99] -- intra
786-> LEU 137 HA - LEU 137 HD1* 0.00 7.02 # NoRestrctn I [2.11 5.99] -- intra
787-> LEU 137 HA - LEU 137 HD2* 0.00 7.02 # NoRestrctn I [2.11 5.99] -- intra
788-> LEU 146 HN - LEU 146 HD1* 0.00 7.02 # NoRestrctn I [2.29 6.01] -- intra
789-> LEU 146 HA - LEU 146 HD1* 0.00 7.02 # NoRestrctn I [2.11 5.99] -- intra
790-> LEU 146 HN - LEU 146 HD2* 0.00 7.02 # NoRestrctn I [2.29 6.01] -- intra
791-> LEU 146 HA - LEU 146 HD2* 0.00 7.02 # NoRestrctn I [2.11 5.99] -- intra
852-> ALA 16 HB* - GLU 17 HA 0.00 7.02 # NoRestrctn S [2.00 6.01] -- sequential
863-> TYR 20 HD* - ALA 21 HB* 0.00 9.15 # NoRestrctn S [2.00 5.99] -- sequential
865-> TYR 20 HN - ALA 21 HB* 0.00 7.02 # NoRestrctn S [2.00 6.01] -- sequential
891-> ALA 59 HB* - VAL 60 HA 0.00 6.23 # NoRestrctn S [2.00 6.01] -- sequential
893-> ALA 64 HB* - GLU 65 HA 0.00 7.02 # NoRestrctn S [2.00 6.01] -- sequential
916-> ALA 68 HB* - ASP 69 HA 0.00 6.77 # NoRestrctn S [2.00 6.01] -- sequential
1010-> ALA 119 HB* - VAL 120 HA 0.00 6.69 # NoRestrctn S [2.00 6.01] -- sequential
1240-> LYS 45 HB* - ARG 46 HA 0.00 6.88 # NoRestrctn S [2.00 6.01] -- sequential
1246-> ARG 46 HN - ARG 46 HD* 0.00 6.88 # NoRestrctn I [2.29 6.01] -- intra
1252-> ALA 55 HA - PRO 56 HB* 0.00 6.22 # NoRestrctn S [2.00 6.01] -- sequential
1303-> LYS 73 HN - LYS 73 HD* 0.00 6.34 # NoRestrctn I [2.29 6.01] -- intra
1321-> LEU 80 HB* - PRO 81 HD* 0.00 6.83 # NoRestrctn S [2.00 5.99] -- sequential
1332-> ALA 83 HB* - ARG 84 HD* 0.00 6.64 # NoRestrctn S [2.00 5.99] -- sequential
1381-> PHE 140 HD* - LYS 141 HB* 0.00 9.01 # NoRestrctn S [2.00 5.99] -- sequential
1383-> LYS 141 HN - LYS 141 HD* 0.00 6.88 # NoRestrctn I [2.29 6.01] -- intra
====== TOTAL ======: 44
table of distance constraints violations
Residual Violations greater than 0.10
15-> VAL 10 HB - THR 11 HN [ 0.00 3.23] 0.00 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.91 .. 1.00]
35-> ASP 25 HA - LEU 26 HN [ 0.00 3.16] 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 0.00 - 1 [ 0.17 .. 0.17]
36-> PRO 27 HA - GLY 28 HN [ 0.00 3.41] 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.07 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.14 0.00 - 5 [ 0.03 .. 0.14]
42-> ARG 37 HN - SER 38 HN [ 0.00 4.38] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 - 1 [ 0.15 .. 0.15]
48-> GLU 40 HA - VAL 41 HN [ 0.00 2.90] 0.60 0.00 0.35 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.36 0.00 0.00 - 5 [ 0.11 .. 0.60]
51-> VAL 41 HA - LEU 42 HN [ 0.00 3.34] 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.20 .. 0.24]
54-> LEU 42 HB3 - ASP 43 HN [ 0.00 3.84] 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.18 0.02 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.02 .. 0.41]
55-> ASP 43 HA - ASP 44 HN [ 0.00 3.37] 0.00 0.08 0.00 0.11 0.06 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.17 0.17 0.17 - 8 [ 0.06 .. 0.17]
57-> ARG 46 HB2 - SER 47 HN [ 0.00 4.13] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 - 1 [ 0.24 .. 0.24]
64-> TRP 62 HA - GLU 63 HN [ 0.00 3.30] 0.00 0.00 0.13 0.18 0.00 0.19 0.00 0.06 0.00 0.00 0.20 0.00 0.00 0.14 0.21 0.12 0.14 0.00 0.00 0.00 - 9 [ 0.06 .. 0.21]
65-> TRP 62 HB2 - GLU 63 HN [ 0.00 3.77] 0.00 0.46 0.22 0.18 0.00 0.06 0.00 0.45 0.00 0.00 0.05 0.38 0.30 0.28 0.03 0.00 0.00 0.49 0.41 0.20 - 14 [ 0.00 .. 0.49]
66-> TRP 62 HB3 - GLU 63 HN [ 0.00 3.77] 0.61 0.65 0.39 0.00 0.12 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.28 0.13 0.70 0.29 0.00 - 10 [ 0.12 .. 0.71]
86-> TRP 77 HB2 - ARG 78 HN [ 0.00 3.95] 0.03 0.19 0.55 0.02 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.24 0.00 0.00 0.00 0.19 0.50 0.00 0.22 0.26 - 10 [ 0.02 .. 0.55]
87-> TRP 77 HB3 - ARG 78 HN [ 0.00 3.95] 0.00 0.00 0.24 0.07 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.39 0.00 0.00 0.24 - 6 [ 0.07 .. 0.39]
101-> GLY 98 HN - ALA 99 HN [ 0.00 3.34] 1.01 0.00 1.00 0.00 0.99 0.00 0.00 0.00 0.00 1.01 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 - 6 [ 0.99 .. 1.02]
152-> THR 11 HN - THR 11 HB [ 0.00 3.16] 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.46 0.00 0.00 0.00 - 3 [ 0.46 .. 0.50]
155-> GLU 17 HN - GLU 17 HB3 [ 0.00 3.37] 0.00 0.19 0.18 0.19 0.23 0.19 0.21 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.22 0.20 - 10 [ 0.18 .. 0.23]
160-> VAL 22 HN - VAL 22 HB [ 0.00 3.26] 0.00 0.37 0.38 0.37 0.56 0.39 0.00 0.00 0.36 0.37 0.36 0.37 0.00 0.36 0.00 0.52 0.38 0.37 0.36 0.00 - 14 [ 0.36 .. 0.56]
163-> ASP 25 HN - ASP 25 HB2 [ 0.00 3.30] 0.37 0.69 0.31 0.00 0.00 0.06 0.00 0.00 0.00 0.38 0.47 0.00 0.00 0.41 0.35 0.01 0.08 0.00 0.00 0.73 - 11 [ 0.01 .. 0.73]
164-> ASP 25 HN - ASP 25 HB3 [ 0.00 3.30] 0.73 0.00 0.65 0.28 0.00 0.00 0.40 0.34 0.43 0.70 0.00 0.29 0.00 0.00 0.66 0.00 0.00 0.35 0.00 0.00 - 10 [ 0.28 .. 0.73]
168-> LYS 45 HN - LYS 45 HB3 [ 0.00 3.59] 0.07 0.00 0.00 0.10 0.05 0.06 0.26 0.00 0.08 0.00 0.16 0.17 0.16 0.00 0.14 0.07 0.01 0.00 0.16 0.16 - 14 [ 0.01 .. 0.26]
174-> ALA 99 HN - ALA 99 HA [ 0.00 2.76] 0.17 0.10 0.17 0.00 0.18 0.00 0.00 0.00 0.00 0.18 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 - 7 [ 0.10 .. 0.18]
187-> THR 11 HN - ILE 12 HN [ 0.00 4.24] 0.14 0.15 0.18 0.18 0.24 0.18 0.03 0.04 0.24 0.12 0.09 0.19 0.22 0.07 0.13 0.07 0.19 0.15 0.05 0.14 - 20 [ 0.03 .. 0.24]
191-> ARG 24 HN - ASP 25 HN [ 0.00 4.24] 0.00 0.00 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.09 0.00 0.00 0.00 0.00 0.06 0.00 - 4 [ 0.06 .. 0.26]
193-> LEU 32 HN - MET 33 HN [ 0.00 3.91] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.00 .. 0.45]
197-> LYS 45 HN - ARG 46 HN [ 0.00 3.01] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.70 .. 0.70]
199-> GLU 52 HN - ALA 53 HN [ 0.00 3.80] 0.59 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 0.00 0.05 0.00 0.00 0.00 0.00 - 3 [ 0.05 .. 0.59]
208-> VAL 105 HN - VAL 106 HN [ 0.00 4.27] 0.14 0.06 0.10 0.12 0.00 0.10 0.07 0.05 0.08 0.09 0.12 0.06 0.13 0.02 0.02 0.09 0.07 0.07 0.06 0.04 - 19 [ 0.02 .. 0.14]
219-> THR 4 HN - VAL 5 HB [ 0.00 6.00] 0.22 0.76 0.28 0.00 0.38 0.44 0.49 0.40 0.15 0.06 0.60 0.67 0.14 0.29 0.45 0.10 0.54 0.19 0.00 0.29 - 18 [ 0.06 .. 0.76]
223-> LYS 14 HN - THR 102 HN [ 0.00 4.09] 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.08 .. 0.71]
225-> LYS 14 HN - GLY 101 HA3 [ 0.00 5.03] 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.29 .. 0.92]
232-> GLN 18 HN - TYR 20 HN [ 0.00 4.49] 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.06 .. 0.11]
233-> GLU 17 HA - TYR 20 HN [ 0.00 4.45] 0.26 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.17 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.17 .. 0.66]
234-> GLN 18 HA - ALA 21 HN [ 0.00 4.52] 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.13 .. 0.13]
235-> GLN 18 HA - VAL 22 HN [ 0.00 5.60] 0.00 0.00 2.05 0.00 0.66 0.00 0.99 0.01 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.00 0.00 0.58 - 7 [ 0.01 .. 2.05]
236-> LEU 19 HA - VAL 22 HN [ 0.00 4.16] 0.00 0.17 0.79 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.06 0.13 0.00 0.00 0.00 1.47 0.02 0.00 0.00 0.00 - 7 [ 0.02 .. 1.47]
237-> VAL 22 HA - LEU 26 HN [ 0.00 4.88] 0.00 0.00 0.00 0.00 2.35 0.00 0.40 0.00 0.00 0.00 0.00 1.95 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.40 .. 2.35]
238-> LEU 29 HA - LEU 32 HN [ 0.00 5.35] 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.90 0.13 0.00 1.11 1.10 0.00 0.00 0.00 - 6 [ 0.13 .. 1.11]
239-> ALA 59 HN - VAL 60 HA [ 0.00 4.99] 0.00 0.00 0.30 0.00 0.13 0.00 0.00 0.00 0.00 0.07 0.21 0.00 0.00 0.18 0.02 0.24 0.25 0.00 0.32 0.00 - 9 [ 0.02 .. 0.32]
241-> GLU 65 HN - ARG 78 HN [ 0.00 5.53] 0.24 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 - 3 [ 0.24 .. 1.33]
243-> ALA 68 HN - ALA 76 HN [ 0.00 3.55] 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.17 .. 0.17]
244-> ALA 68 HN - TRP 77 HA [ 0.00 5.28] 0.00 0.01 0.28 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 0.05 0.00 - 4 [ 0.01 .. 0.28]
245-> LEU 66 HA - ALA 68 HN [ 0.00 3.88] 0.61 0.56 0.00 0.03 0.19 0.00 0.00 0.00 0.00 0.20 0.00 0.17 0.00 0.09 0.41 0.00 0.50 0.00 0.45 0.00 - 10 [ 0.03 .. 0.61]
246-> LEU 66 HB3 - ALA 68 HN [ 0.00 5.06] 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.16 0.00 0.06 0.00 0.00 0.00 0.80 0.00 0.41 0.10 0.00 0.00 - 6 [ 0.06 .. 0.80]
247-> LEU 66 HB2 - ALA 68 HN [ 0.00 5.06] 0.00 0.46 0.00 0.00 0.27 0.04 0.32 0.12 0.26 0.00 0.00 0.07 0.07 0.00 0.66 0.00 0.56 0.26 0.00 0.00 - 11 [ 0.04 .. 0.66]
249-> GLU 70 HN - ARG 74 HN [ 0.00 3.88] 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 - 3 [ 0.03 .. 1.15]
250-> GLU 70 HB2 - ARG 74 HN [ 0.00 3.62] 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.80 .. 1.19]
253-> TRP 77 HN - GLU 90 HA [ 0.00 4.45] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.43 0.00 0.00 0.00 - 2 [ 0.20 .. 0.43]
254-> TRP 77 HN - GLY 89 HN [ 0.00 4.63] 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.38 .. 1.38]
256-> ALA 64 HA - LEU 80 HN [ 0.00 3.98] 0.00 0.56 0.14 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.31 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 - 6 [ 0.14 .. 1.78]
257-> SER 88 HN - THR 109 HN [ 0.00 4.27] 0.79 0.12 0.00 0.91 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 0.00 0.07 - 5 [ 0.06 .. 0.91]
258-> ARG 94 HN - GLU 103 HN [ 0.00 3.77] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 - 2 [ 0.12 .. 0.25]
270-> LEU 137 HA - LYS 141 HN [ 0.00 4.56] 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.23 .. 1.23]
272-> LYS 14 HN - GLY 101 HA2 [ 0.00 5.03] 0.00 0.00 0.00 0.00 0.00 0.17 0.41 0.00 0.00 0.00 0.54 0.00 0.00 1.22 0.00 0.00 0.58 0.00 0.00 0.00 - 5 [ 0.17 .. 1.22]
274-> ALA 96 HA - GLY 101 HN [ 0.00 5.32] 0.00 0.35 0.06 0.16 0.93 0.00 0.00 0.98 0.17 0.00 0.64 0.78 0.00 0.00 0.00 0.00 0.86 0.00 0.54 0.01 - 11 [ 0.01 .. 0.98]
278-> VAL 6 HN - LEU 108 HN [ 0.00 4.42] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.60 .. 0.60]
281-> SER 88 HN - LEU 108 HA [ 0.00 6.00] 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.13 - 3 [ 0.04 .. 0.23]
283-> SER 47 HN - ALA 64 HN [ 0.00 3.73] 1.31 0.00 0.38 1.17 0.00 0.00 0.00 0.00 2.18 0.00 0.00 2.25 0.80 0.23 0.33 0.00 3.32 0.71 0.00 0.00 - 10 [ 0.23 .. 3.32]
284-> GLU 65 HN - SER 79 HA [ 0.00 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 0.00 0.00 0.92 0.00 0.00 0.00 - 1 [ 0.92 .. 0.92]
285-> GLU 65 HN - LEU 80 HA [ 0.00 6.00] 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 0.64 0.00 0.00 0.10 - 4 [ 0.06 .. 0.64]
286-> ALA 68 HN - ALA 76 HA [ 0.00 5.39] 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.46 .. 0.47]
287-> ASP 69 HN - ALA 76 HN [ 0.00 5.78] 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 - 3 [ 0.02 .. 1.10]
288-> ALA 64 HA - SER 79 HN [ 0.00 5.86] 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.20 0.05 0.00 0.00 0.05 0.00 0.28 0.00 0.50 0.00 0.00 0.00 - 6 [ 0.01 .. 0.50]
303-> LEU 42 HG - ASP 43 HN [ 0.00 4.56] 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.13 .. 0.13]
306-> LYS 45 HD2 - ARG 46 HN [ 0.00 6.00] 0.33 0.00 0.00 0.00 0.00 0.00 0.15 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 - 4 [ 0.05 .. 0.55]
307-> LYS 45 HD3 - ARG 46 HN [ 0.00 6.00] 0.61 0.00 0.00 0.00 0.00 0.42 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.41 0.00 - 5 [ 0.12 .. 0.61]
316-> ARG 74 HG2 - ILE 75 HN [ 0.00 4.92] 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.03 0.09 0.00 0.00 0.09 0.00 0.00 0.01 0.03 - 7 [ 0.01 .. 0.26]
348-> LEU 29 HN - LEU 29 HG [ 0.00 4.34] 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.13 0.00 0.00 - 4 [ 0.04 .. 0.28]
349-> LEU 31 HN - LEU 31 HG [ 0.00 4.13] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.30 0.00 - 2 [ 0.30 .. 0.77]
355-> LYS 45 HN - LYS 45 HE2 [ 0.00 6.00] 0.00 1.42 0.00 0.00 0.02 0.00 0.00 0.90 0.00 1.08 0.64 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 - 6 [ 0.02 .. 1.42]
356-> LYS 45 HN - LYS 45 HE3 [ 0.00 6.00] 0.00 0.82 0.00 0.00 0.00 0.00 0.12 0.96 0.00 0.54 0.33 0.13 0.39 0.66 0.00 0.00 0.00 0.00 0.07 0.05 - 10 [ 0.05 .. 0.96]
378-> GLU 145 HN - GLU 145 HG2 [ 0.00 4.09] 0.00 0.00 0.00 0.51 0.00 0.46 0.00 0.00 0.47 0.00 0.00 0.42 0.00 0.45 0.00 0.00 0.00 0.00 0.40 0.00 - 6 [ 0.40 .. 0.51]
379-> GLU 145 HN - GLU 145 HG3 [ 0.00 4.09] 0.00 0.00 0.00 0.21 0.00 0.32 0.00 0.00 0.29 0.00 0.00 0.39 0.00 0.32 0.00 0.00 0.00 0.00 0.25 0.00 - 6 [ 0.21 .. 0.39]
388-> GLU 65 HB2 - SER 79 HN [ 0.00 6.00] 1.28 0.90 0.00 0.00 0.87 1.22 0.00 1.55 0.38 0.49 0.09 0.00 0.00 0.50 0.00 0.00 0.50 0.69 0.36 0.36 - 13 [ 0.09 .. 1.55]
389-> GLU 65 HB3 - SER 79 HN [ 0.00 6.00] 0.00 0.00 0.77 0.00 0.00 0.07 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.07 .. 0.77]
390-> LEU 57 HG - GLU 63 HN [ 0.00 6.00] 2.37 0.00 3.70 0.49 0.00 0.00 0.96 1.71 0.00 0.00 0.00 2.51 2.34 1.70 0.00 0.00 0.65 1.33 3.08 0.72 - 12 [ 0.49 .. 3.70]
391-> THR 67 HN - TRP 77 HB2 [ 0.00 6.00] 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.00 1.15 0.00 0.17 0.00 - 4 [ 0.05 .. 1.66]
392-> THR 67 HN - TRP 77 HB3 [ 0.00 6.00] 0.00 0.00 1.14 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.45 0.00 0.05 0.30 - 6 [ 0.05 .. 1.14]
430-> VAL 22 HN - VAL 22 HG1* [ 0.00 3.42] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.33 .. 0.33]
446-> ASP 8 HN - LEU 137 HD2* [ 0.00 4.07] 0.45 1.46 1.15 1.74 0.00 1.74 0.00 0.00 1.48 0.83 0.00 0.00 0.00 0.96 0.00 0.00 0.00 1.36 0.00 0.00 - 9 [ 0.45 .. 1.74]
447-> ALA 9 HN - LEU 137 HD2* [ 0.00 5.33] 0.42 0.30 0.16 1.13 0.00 1.24 0.00 0.00 1.04 0.65 0.82 0.00 0.00 1.41 0.59 0.00 0.26 0.86 0.00 0.00 - 12 [ 0.16 .. 1.41]
449-> VAL 10 HN - LEU 137 HD2* [ 0.00 6.23] 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 0.03 0.13 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.00 .. 0.29]
460-> LEU 66 HD1* - ARG 78 HN [ 0.00 5.76] 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.06 - 3 [ 0.06 .. 0.45]
470-> ALA 9 HB* - VAL 106 HN [ 0.00 5.04] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.10 .. 0.10]
471-> VAL 10 HG1* - LEU 137 HN [ 0.00 6.01] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 1.15 0.00 0.15 0.00 0.99 0.00 0.00 0.00 - 4 [ 0.15 .. 1.15]
473-> ILE 12 HD1* - LYS 141 HN [ 0.00 6.30] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.24 .. 0.24]
474-> VAL 10 HG1* - ARG 142 HN [ 0.00 6.48] 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.01 .. 2.64]
475-> ILE 12 HG2* - GLU 145 HN [ 0.00 5.25] 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.19 .. 3.41]
478-> LEU 57 HN - LEU 80 HD2* [ 0.00 7.02] 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.24 0.81 0.00 0.87 0.00 0.00 0.00 0.23 0.17 0.32 0.83 0.00 0.00 - 8 [ 0.17 .. 2.35]
480-> THR 67 HG2* - ARG 78 HN [ 0.00 5.97] 0.63 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.00 0.55 0.00 0.00 0.00 0.53 0.00 - 5 [ 0.21 .. 0.63]
482-> VAL 10 HG2* - ARG 142 HN [ 0.00 7.02] 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.19 .. 1.19]
486-> SER 79 HN - ALA 83 HB* [ 0.00 7.02] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.20 .. 0.20]
487-> GLU 63 HN - ALA 83 HB* [ 0.00 7.02] 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.44 .. 1.07]
488-> GLU 63 HN - LEU 80 HD2* [ 0.00 7.02] 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.54 .. 0.54]
489-> VAL 41 HN - VAL 41 HB [ 0.00 3.12] 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.74 .. 0.74]
490-> ASP 44 HN - ASP 44 HB2 [ 0.00 3.52] 0.00 0.10 0.21 0.06 0.00 0.00 0.03 0.00 0.09 0.22 0.00 0.13 0.23 0.21 0.00 0.00 0.00 0.00 0.00 0.00 - 9 [ 0.03 .. 0.23]
491-> ASP 44 HN - ASP 44 HB3 [ 0.00 3.52] 0.02 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.09 0.02 0.00 0.04 0.05 - 7 [ 0.02 .. 0.50]
494-> ARG 100 HN - ARG 100 HB3 [ 0.00 3.59] 0.03 0.22 0.03 0.09 0.11 0.00 0.12 0.11 0.06 0.07 0.14 0.11 0.00 0.05 0.09 0.00 0.10 0.08 0.11 0.05 - 17 [ 0.03 .. 0.22]
502-> LEU 148 HN - LEU 148 HB3 [ 0.00 3.70] 0.13 0.01 0.10 0.00 0.42 0.38 0.00 0.00 0.44 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 - 9 [ 0.00 .. 0.44]
504-> LEU 19 HB3 - TYR 20 HN [ 0.00 4.24] 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.07 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.12 - 6 [ 0.00 .. 0.20]
506-> ASP 43 HB2 - ASP 44 HN [ 0.00 3.88] 0.04 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.70 0.00 0.12 0.25 0.00 0.00 0.00 0.02 0.07 0.00 0.00 0.00 - 7 [ 0.02 .. 0.70]
507-> ASP 43 HB3 - ASP 44 HN [ 0.00 3.88] 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.40 0.29 0.31 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.03 .. 0.40]
508-> ASP 44 HB2 - LYS 45 HN [ 0.00 4.42] 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.13 0.11 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.06 .. 0.19]
512-> PRO 54 HB2 - ALA 55 HN [ 0.00 4.06] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 - 1 [ 0.18 .. 0.18]
513-> PRO 54 HB3 - ALA 55 HN [ 0.00 4.06] 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 0.13 0.10 0.00 0.00 0.00 - 3 [ 0.10 .. 0.13]
515-> LEU 57 HB3 - GLY 58 HN [ 0.00 4.42] 0.00 0.00 0.00 0.00 0.19 0.00 0.02 0.00 0.01 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 - 5 [ 0.01 .. 0.19]
547-> LEU 148 HB3 - GLU 149 HN [ 0.00 4.34] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.09 .. 0.11]
551-> PRO 15 HB2 - GLN 18 HN [ 0.00 4.85] 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.15 .. 1.15]
553-> PRO 15 HB3 - GLN 18 HN [ 0.00 6.00] 1.01 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.03 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.03 .. 1.01]
554-> ALA 16 HA - LEU 19 HB3 [ 0.00 4.74] 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.44 0.00 - 3 [ 0.09 .. 0.44]
557-> PHE 140 HA - GLU 143 HB3 [ 0.00 5.17] 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.05 .. 0.17]
558-> LEU 19 HA - VAL 22 HB [ 0.00 4.81] 0.00 1.42 0.81 0.00 0.03 0.00 0.00 0.00 0.38 0.21 0.17 1.24 0.00 0.36 0.00 0.38 0.93 0.00 0.00 0.00 - 10 [ 0.03 .. 1.42]
559-> LYS 45 HA - ARG 46 HA [ 0.00 4.56] 0.23 0.13 0.00 0.00 0.01 0.03 0.07 0.00 0.00 0.00 0.00 0.08 0.03 0.01 0.00 0.00 0.00 0.00 0.16 0.14 - 10 [ 0.01 .. 0.23]
561-> ALA 55 HA - GLY 58 HN [ 0.00 4.38] 0.00 0.00 0.23 0.00 0.05 0.00 0.05 0.14 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 - 6 [ 0.05 .. 0.29]
562-> THR 67 HN - TRP 77 HA [ 0.00 3.59] 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.30 0.00 - 4 [ 0.00 .. 1.36]
563-> LEU 66 HA - TRP 77 HA [ 0.00 3.84] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.00 - 1 [ 0.31 .. 0.31]
570-> GLU 143 HA - LEU 146 HB2 [ 0.00 3.73] 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 - 3 [ 0.18 .. 0.70]
571-> GLU 143 HA - LEU 146 HB3 [ 0.00 3.73] 1.08 0.89 0.32 1.00 0.64 2.00 0.29 1.70 0.91 0.14 0.00 0.97 0.36 1.26 0.72 1.30 0.00 0.69 1.68 1.27 - 18 [ 0.14 .. 2.00]
572-> GLU 143 HA - LEU 146 HN [ 0.00 4.16] 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.29 .. 0.29]
575-> GLU 143 HA - GLY 147 HN [ 0.00 4.88] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 - 2 [ 0.25 .. 1.56]
576-> VAL 41 HA - SER 47 HA [ 0.00 6.00] 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.19 0.00 0.00 0.00 0.00 - 3 [ 0.19 .. 1.39]
577-> LEU 66 HA - SER 79 HA [ 0.00 6.00] 0.00 0.69 0.00 1.12 1.44 1.12 1.09 1.66 1.01 0.83 1.79 1.10 1.77 1.00 1.38 0.72 0.46 2.13 0.00 0.67 - 17 [ 0.46 .. 2.13]
583-> LYS 14 HA - LYS 14 HD2 [ 0.00 4.63] 0.00 0.00 0.00 0.00 0.00 0.04 0.19 0.20 0.00 0.00 0.07 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 7 [ 0.00 .. 0.20]
598-> LYS 45 HA - LYS 45 HD3 [ 0.00 4.60] 0.00 0.06 0.20 0.00 0.00 0.00 0.00 0.12 0.00 0.01 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.01 .. 0.20]
599-> LYS 45 HA - LYS 45 HE2 [ 0.00 4.27] 0.81 1.80 0.16 0.09 0.69 0.76 0.56 1.15 0.84 1.84 1.84 0.00 0.58 1.10 0.12 0.78 0.69 1.13 0.47 0.04 - 19 [ 0.04 .. 1.84]
602-> LYS 45 HA - LYS 45 HE3 [ 0.00 4.27] 1.02 0.72 0.07 0.53 0.88 1.08 0.15 0.69 1.01 1.24 0.82 0.57 0.59 0.59 0.57 1.07 1.09 0.70 1.31 0.59 - 20 [ 0.07 .. 1.31]
628-> ARG 94 HN - ARG 94 HD2 [ 0.00 6.00] 0.20 0.16 0.17 0.37 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.16 .. 0.37]
642-> ARG 111 HN - ARG 111 HD3 [ 0.00 6.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.15 0.00 0.06 0.00 0.00 0.00 - 3 [ 0.04 .. 0.15]
669-> ARG 7 HD2 - ASP 8 HN [ 0.00 6.00] 0.94 0.00 0.00 0.89 1.03 0.92 0.00 0.00 0.00 0.04 0.17 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.07 0.00 - 8 [ 0.03 .. 1.03]
670-> ARG 7 HD3 - ASP 8 HN [ 0.00 6.00] 0.51 0.00 0.00 0.45 0.66 0.41 0.00 0.00 0.00 0.02 0.66 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.82 0.00 - 8 [ 0.01 .. 0.82]
686-> VAL 10 HB - LEU 137 HG [ 0.00 5.03] 3.14 0.00 0.04 2.57 0.41 2.48 0.00 0.00 3.64 0.08 2.99 1.64 0.00 3.49 4.92 0.00 5.54 3.46 0.00 0.00 - 13 [ 0.04 .. 5.54]
696-> LEU 19 HA - PHE 140 HE* [ 0.00 8.13] 0.00 0.00 0.10 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 3.56 5.33 0.00 0.00 0.00 0.00 0.00 0.00 3.24 - 5 [ 0.10 .. 5.33]
697-> LEU 19 HB3 - PHE 93 HZ [ 0.00 5.28] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.00 - 1 [ 0.18 .. 0.18]
698-> VAL 22 HB - PHE 140 HE* [ 0.00 7.05] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 4.53 0.00 0.00 0.00 0.00 0.00 0.00 1.94 - 3 [ 1.94 .. 4.53]
699-> VAL 22 HB - PHE 140 HD* [ 0.00 7.59] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.95 .. 2.03]
700-> LYS 14 HD3 - LEU 26 HB2 [ 0.00 7.37] 0.77 5.53 2.48 3.63 5.93 0.60 1.12 0.41 1.10 5.10 0.00 4.46 3.33 4.59 3.36 0.00 5.19 0.22 4.68 0.35 - 18 [ 0.22 .. 5.93]
704-> LYS 14 HD3 - LEU 26 HB3 [ 0.00 7.37] 1.24 3.84 2.49 3.33 6.63 1.39 1.37 0.00 0.31 4.11 0.00 4.31 2.01 4.71 2.35 0.00 3.49 0.39 3.22 0.00 - 16 [ 0.31 .. 6.63]
713-> LEU 66 HA - TRP 77 HB2 [ 0.00 6.00] 0.21 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 1.10 0.00 0.03 0.00 - 4 [ 0.03 .. 1.10]
715-> GLU 63 HB2 - LEU 80 HB2 [ 0.00 7.76] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.03 .. 0.30]
717-> GLU 63 HB3 - LEU 80 HB3 [ 0.00 7.76] 0.00 0.12 0.00 0.00 0.00 0.14 0.00 0.31 0.00 0.00 0.57 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.11 .. 0.57]
718-> GLU 63 HB2 - LEU 80 HG [ 0.00 6.00] 0.00 0.25 0.25 0.00 0.00 0.00 0.00 0.00 0.67 1.24 0.00 0.00 0.00 0.00 0.13 0.03 0.00 0.54 0.00 0.00 - 7 [ 0.03 .. 1.24]
720-> ARG 74 HB3 - LEU 92 HB2 [ 0.00 6.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.78 .. 1.78]
725-> VAL 5 HB - THR 109 HB [ 0.00 6.00] 0.86 0.93 1.22 1.03 0.85 0.86 0.75 0.72 1.47 1.04 2.27 0.87 2.27 1.03 0.89 1.63 0.84 1.33 1.39 1.00 - 20 [ 0.72 .. 2.27]
726-> TYR 110 HN - ARG 111 HG2 [ 0.00 6.00] 0.00 1.67 0.74 0.00 0.00 1.51 1.61 0.00 0.00 0.00 1.71 0.00 0.00 0.00 1.70 0.00 1.72 0.00 0.48 1.53 - 9 [ 0.48 .. 1.72]
727-> TYR 110 HA - ARG 111 HG3 [ 0.00 6.00] 0.00 0.35 0.00 0.00 0.00 0.44 0.51 0.00 0.05 0.00 0.48 0.00 0.00 0.00 0.41 0.00 0.37 0.00 0.00 0.53 - 8 [ 0.05 .. 0.53]
728-> TYR 110 HN - ARG 111 HG3 [ 0.00 6.00] 0.00 0.95 0.14 0.00 0.00 0.68 1.06 0.00 0.00 1.01 1.37 0.00 0.00 0.69 1.00 0.00 0.95 0.33 0.00 0.88 - 11 [ 0.14 .. 1.37]
731-> VAL 22 HN - PHE 140 HE* [ 0.00 7.74] 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 3.96 5.85 0.00 0.00 0.00 0.00 0.00 0.00 2.74 - 4 [ 0.05 .. 5.85]
732-> ILE 12 HG13 - GLN 144 HG2 [ 0.00 6.00] 1.15 6.51 0.77 1.12 0.00 0.00 0.43 0.00 0.00 0.00 0.00 1.55 1.60 0.68 0.14 1.42 1.51 1.09 2.73 1.81 - 14 [ 0.14 .. 6.51]
733-> ILE 12 HG13 - GLN 144 HG3 [ 0.00 6.00] 0.83 6.05 0.00 1.27 0.00 0.00 0.00 0.36 0.00 1.03 0.00 0.85 0.21 0.25 1.36 0.59 1.02 0.42 2.24 0.98 - 14 [ 0.21 .. 6.05]
734-> ILE 12 HB - GLU 145 HB2 [ 0.00 6.00] 1.54 8.19 2.01 0.00 0.06 0.00 1.64 1.93 0.89 2.68 3.23 0.00 0.37 0.00 1.44 1.46 0.00 1.68 0.00 0.65 - 14 [ 0.06 .. 8.19]
735-> ILE 12 HB - GLU 145 HB3 [ 0.00 6.00] 1.37 9.11 2.46 1.08 0.00 0.43 1.99 0.94 2.08 3.22 3.26 0.44 0.00 0.88 0.99 1.41 0.00 1.70 1.53 0.00 - 16 [ 0.43 .. 9.11]
739-> ILE 75 HG13 - PHE 93 HD* [ 0.00 8.13] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.00 - 1 [ 0.39 .. 0.39]
740-> ILE 75 HG12 - PHE 93 HD* [ 0.00 8.13] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 - 1 [ 0.60 .. 0.60]
741-> GLU 63 HB3 - LEU 80 HB2 [ 0.00 7.76] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.21 .. 0.51]
743-> GLU 63 HB3 - LEU 80 HG [ 0.00 6.00] 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.47 1.12 1.66 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.24 .. 1.66]
744-> ARG 74 HB2 - LEU 92 HB2 [ 0.00 6.00] 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.11 .. 0.17]
746-> ARG 74 HB3 - LEU 92 HB3 [ 0.00 6.00] 1.33 0.00 1.28 0.00 0.00 0.80 0.98 0.00 1.21 0.80 0.64 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 - 8 [ 0.64 .. 1.33]
748-> TYR 110 HA - ARG 111 HG2 [ 0.00 6.00] 0.00 0.67 0.00 0.00 0.00 0.56 0.68 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.66 0.00 0.75 0.00 0.00 0.54 - 7 [ 0.54 .. 0.75]
749-> ILE 12 HG12 - GLN 144 HG2 [ 0.00 6.00] 1.21 5.03 0.00 0.22 0.86 0.00 0.00 0.00 0.00 0.00 0.40 1.24 0.64 0.00 0.00 1.49 1.39 1.03 2.26 1.22 - 12 [ 0.22 .. 5.03]
750-> ILE 12 HG12 - GLN 144 HG3 [ 0.00 6.00] 0.71 4.69 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 1.22 0.56 0.81 0.13 1.94 0.25 - 10 [ 0.06 .. 4.69]
751-> VAL 91 HB - VAL 104 HA [ 0.00 6.00] 0.41 0.37 0.85 0.46 0.41 0.45 1.06 0.74 0.77 0.70 1.34 0.76 0.63 0.75 1.11 1.06 0.98 0.71 0.90 0.84 - 20 [ 0.37 .. 1.34]
755-> VAL 6 HB - LEU 108 HN [ 0.00 6.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.06 .. 1.06]
810-> LEU 137 HA - MET 138 HE* [ 0.00 7.02] 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.49 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.00 .. 0.52]
813-> ASP 8 HB2 - LEU 137 HD2* [ 0.00 4.97] 0.00 0.00 0.64 0.87 0.00 1.08 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.25 0.00 0.00 - 7 [ 0.00 .. 1.08]
822-> VAL 10 HG1* - LYS 141 HB3 [ 0.00 7.02] 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 0.00 0.00 0.00 0.00 - 1 [ 0.96 .. 0.96]
828-> VAL 10 HG2* - LEU 137 HG [ 0.00 5.11] 0.97 0.00 0.67 0.00 0.00 0.22 0.00 0.00 1.86 0.59 0.00 0.00 0.00 1.13 2.30 0.00 2.55 0.91 0.00 0.00 - 10 [ 0.00 .. 2.55]
829-> ILE 12 HG2* - GLN 144 HN [ 0.00 7.02] 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.89 .. 0.89]
831-> ILE 12 HG2* - GLN 144 HA [ 0.00 6.33] 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.19 0.00 - 3 [ 0.04 .. 2.53]
833-> ILE 12 HG2* - GLU 145 HG3 [ 0.00 5.69] 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.78 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.17 .. 2.42]
834-> ILE 12 HD1* - PHE 140 HD* [ 0.00 7.28] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.51 .. 0.51]
835-> ILE 12 HD1* - PHE 140 HE* [ 0.00 7.42] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.52 - 3 [ 0.39 .. 2.17]
836-> ILE 12 HD1* - LYS 141 HA [ 0.00 4.50] 0.00 1.17 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 0.00 0.00 - 2 [ 0.30 .. 1.17]
840-> LYS 14 HD2 - LEU 26 HD1* [ 0.00 7.02] 0.00 1.24 0.00 0.00 0.89 0.00 0.67 1.98 0.00 0.00 0.00 1.28 0.00 0.51 0.00 0.00 2.66 0.04 0.10 0.00 - 9 [ 0.04 .. 2.66]
845-> ALA 16 HB* - PHE 93 HA [ 0.00 6.33] 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.43 .. 0.43]
848-> ALA 16 HB* - PHE 93 HB2 [ 0.00 4.71] 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 - 2 [ 0.09 .. 0.50]
859-> LEU 19 HD2* - PHE 140 HE* [ 0.00 7.21] 0.00 0.37 0.11 0.00 1.20 0.00 0.00 0.00 0.00 0.09 0.00 2.70 3.80 0.00 0.00 0.00 0.00 0.00 0.00 2.28 - 7 [ 0.09 .. 3.80]
862-> GLN 18 HN - ALA 21 HB* [ 0.00 7.02] 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.31 .. 0.31]
864-> ALA 21 HB* - LEU 26 HN [ 0.00 5.51] 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.00 - 3 [ 0.06 .. 0.21]
866-> GLN 18 HA - ALA 21 HB* [ 0.00 3.81] 0.00 0.00 1.42 0.00 0.00 0.00 0.11 0.14 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 - 5 [ 0.11 .. 1.42]
868-> VAL 22 HG1* - PHE 140 HE* [ 0.00 8.40] 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 0.00 0.00 0.00 - 1 [ 1.08 .. 1.08]
869-> ALA 21 HN - VAL 22 HG1* [ 0.00 5.51] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.24 .. 0.24]
870-> VAL 22 HG1* - GLN 144 HE22 [ 0.00 4.82] 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.37 0.14 0.14 0.00 1.98 0.00 0.00 0.00 0.73 0.32 1.43 1.00 0.00 - 9 [ 0.14 .. 2.81]
871-> VAL 22 HG2* - PHE 140 HE* [ 0.00 6.78] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.93 .. 3.66]
872-> VAL 22 HG2* - PHE 140 HD* [ 0.00 8.14] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.61 .. 0.61]
875-> LYS 14 HD3 - LEU 26 HD1* [ 0.00 7.02] 0.00 2.49 0.00 0.00 2.24 0.00 0.37 1.57 0.54 0.90 0.00 0.29 0.00 0.57 1.27 0.00 3.49 0.00 1.09 0.00 - 11 [ 0.29 .. 3.49]
876-> GLY 28 HA2 - LEU 31 HD1* [ 0.00 7.02] 1.06 2.79 0.00 1.26 2.14 1.63 1.10 1.89 1.90 1.58 0.19 2.08 0.86 3.54 0.09 0.00 0.00 1.81 2.79 1.68 - 17 [ 0.09 .. 3.54]
877-> GLY 28 HA3 - LEU 31 HD1* [ 0.00 7.02] 0.83 1.72 0.00 2.41 2.01 1.81 1.08 1.77 1.89 1.44 0.00 2.86 1.07 4.09 0.00 0.00 0.21 1.71 3.02 1.50 - 16 [ 0.21 .. 4.09]
880-> LEU 29 HD1* - LEU 32 HD2* [ 0.00 7.17] 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.14 .. 0.49]
881-> LEU 29 HA - LEU 32 HD2* [ 0.00 5.79] 0.00 0.12 1.29 1.53 0.00 0.00 0.00 1.15 0.00 0.00 1.29 0.35 2.84 0.00 0.00 1.59 2.00 0.00 0.00 0.00 - 9 [ 0.12 .. 2.84]
888-> PRO 56 HG2 - LEU 57 HD2* [ 0.00 7.02] 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.24 .. 0.24]
890-> PRO 56 HG2 - LEU 57 HD1* [ 0.00 7.02] 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.17 .. 0.17]
895-> GLU 65 HG3 - LEU 80 HD1* [ 0.00 7.02] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.30 .. 0.30]
897-> ASP 44 HB2 - LEU 66 HD2* [ 0.00 7.02] 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 - 3 [ 0.03 .. 1.02]
898-> LYS 45 HA - LEU 66 HD2* [ 0.00 5.94] 0.00 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.09 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.09 .. 3.24]
900-> ASP 44 HN - LEU 66 HD2* [ 0.00 7.02] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 - 1 [ 0.73 .. 0.73]
901-> VAL 104 HG1* - PHE 140 HD* [ 0.00 8.68] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.79 .. 0.79]
902-> VAL 104 HG1* - PHE 140 HE* [ 0.00 8.25] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 3.00 .. 3.00]
907-> THR 67 HG2* - ARG 78 HD2 [ 0.00 6.37] 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.75 0.00 0.86 0.00 0.00 0.00 - 4 [ 0.30 .. 0.86]
908-> THR 67 HG2* - ARG 78 HD3 [ 0.00 6.37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.42 .. 0.42]
914-> VAL 22 HB - VAL 104 HG1* [ 0.00 7.02] 0.00 0.87 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 1.56 1.00 0.61 1.44 0.00 1.91 0.80 1.30 0.31 0.93 - 11 [ 0.31 .. 1.91]
920-> ILE 75 HB - VAL 91 HG2* [ 0.00 5.22] 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.48 0.00 0.22 0.00 0.00 0.00 - 4 [ 0.02 .. 0.58]
922-> ARG 74 HG3 - LEU 92 HD1* [ 0.00 5.80] 0.00 0.94 0.00 0.86 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.71 0.64 0.68 0.70 0.00 0.00 0.77 - 8 [ 0.64 .. 1.23]
924-> ARG 74 HG2 - LEU 92 HD1* [ 0.00 5.80] 0.00 0.79 0.00 0.32 0.00 0.00 0.00 0.72 0.00 0.00 0.23 0.00 0.00 0.78 0.41 0.49 0.65 0.00 0.00 0.77 - 9 [ 0.23 .. 0.79]
934-> LEU 66 HD1* - TRP 77 HB2 [ 0.00 5.65] 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.00 - 2 [ 0.09 .. 0.55]
935-> LEU 66 HD1* - TRP 77 HB3 [ 0.00 5.65] 0.00 0.00 0.10 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.01 0.78 - 5 [ 0.10 .. 1.21]
936-> THR 67 HG2* - ARG 78 HB2 [ 0.00 7.02] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.86 .. 0.86]
937-> LEU 66 HD1* - ARG 78 HG2 [ 0.00 7.02] 0.00 0.00 1.81 0.23 0.00 1.40 1.05 0.00 0.84 0.50 0.00 0.00 0.00 0.48 0.00 0.15 0.00 0.00 0.39 0.49 - 10 [ 0.15 .. 1.81]
939-> GLU 63 HB2 - LEU 80 HD1* [ 0.00 5.26] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 - 1 [ 0.80 .. 0.80]
940-> PRO 56 HB3 - LEU 80 HD1* [ 0.00 7.02] 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.90 0.75 0.00 1.71 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.28 .. 1.71]
941-> PRO 56 HB2 - LEU 80 HD1* [ 0.00 7.02] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.98 .. 0.98]
951-> PRO 56 HB3 - LEU 80 HD2* [ 0.00 6.44] 0.00 0.00 0.72 0.00 0.00 3.46 0.00 2.07 1.07 0.00 1.72 0.00 0.00 0.00 0.00 1.27 1.84 2.50 0.00 0.00 - 8 [ 0.72 .. 3.46]
952-> PRO 56 HB2 - LEU 80 HD2* [ 0.00 6.44] 0.00 0.00 0.66 0.00 0.00 3.06 0.00 0.91 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.67 2.01 0.00 0.00 - 6 [ 0.66 .. 3.06]
953-> ILE 12 HG2* - GLU 145 HA [ 0.00 5.54] 0.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 4.29 .. 4.29]
966-> ILE 75 HN - LEU 92 HD1* [ 0.00 6.34] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.07 .. 0.32]
967-> ARG 74 HA - LEU 92 HD1* [ 0.00 4.90] 0.00 0.69 0.00 0.31 0.00 0.00 0.00 0.77 0.00 0.00 0.61 0.00 0.00 0.79 0.68 0.20 0.57 0.00 0.00 0.58 - 9 [ 0.20 .. 0.79]
968-> ARG 74 HD2 - LEU 92 HD1* [ 0.00 5.62] 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 0.00 0.00 0.00 0.00 - 1 [ 0.33 .. 0.33]
969-> GLU 90 HG2 - LEU 92 HD1* [ 0.00 4.97] 2.22 0.00 2.05 0.00 0.87 2.23 2.40 0.00 0.24 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 - 8 [ 0.24 .. 2.40]
971-> ARG 94 HG2 - VAL 105 HG1* [ 0.00 7.02] 1.10 1.33 0.54 1.30 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.54 .. 1.33]
972-> ARG 94 HG3 - VAL 105 HG1* [ 0.00 7.02] 1.14 1.28 0.57 1.54 0.00 0.00 0.00 0.00 1.02 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 6 [ 0.32 .. 1.54]
973-> ARG 94 HD3 - VAL 105 HG1* [ 0.00 7.02] 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 0.71 0.00 0.00 0.00 0.00 - 2 [ 0.10 .. 0.71]
974-> ARG 94 HD2 - VAL 105 HG1* [ 0.00 7.02] 1.07 1.22 0.46 1.38 0.00 0.00 0.00 0.00 0.86 0.00 0.46 0.00 0.00 0.02 0.00 0.72 0.00 0.00 0.00 0.00 - 8 [ 0.02 .. 1.38]
1011-> ALA 9 HA - LEU 137 HD2* [ 0.00 6.12] 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]
1012-> ASP 8 HB3 - LEU 137 HD2* [ 0.00 4.97] 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 0.00 0.00 0.00 - 1 [ 0.34 .. 0.34]
1015-> ILE 12 HG2* - PHE 140 HE* [ 0.00 9.15] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.79 0.00 0.00 0.00 0.04 0.00 0.00 1.07 - 4 [ 0.04 .. 1.79]
1016-> VAL 104 HG2* - PHE 140 HE* [ 0.00 9.15] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.08 - 2 [ 0.08 .. 2.81]
1021-> ILE 12 HG2* - GLU 145 HG2 [ 0.00 5.69] 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.42 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.42 .. 3.22]
1025-> VAL 10 HG1* - LEU 137 HG [ 0.00 6.80] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.00 - 2 [ 0.14 .. 0.55]
1034-> LEU 19 HD1* - GLN 144 HE21 [ 0.00 7.02] 0.00 2.83 0.00 0.97 0.62 0.00 0.12 0.00 0.93 0.00 0.00 1.06 0.00 0.54 0.00 0.00 0.00 0.00 3.10 0.00 - 8 [ 0.12 .. 3.10]
1036-> LEU 19 HD1* - GLN 144 HE22 [ 0.00 7.02] 0.00 1.56 0.00 2.21 0.00 0.00 0.32 0.00 0.58 0.00 0.00 0.41 0.00 0.97 0.00 0.00 0.00 0.00 3.57 0.00 - 7 [ 0.32 .. 3.57]
1038-> VAL 22 HG1* - GLN 144 HE21 [ 0.00 4.82] 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.68 0.42 0.62 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.03 1.12 0.00 - 7 [ 0.03 .. 2.68]
1039-> LYS 14 HD3 - LEU 26 HD2* [ 0.00 7.02] 0.00 1.36 0.58 0.00 3.25 0.00 0.00 0.00 0.00 1.21 0.00 1.38 0.00 1.39 0.00 0.00 2.45 0.00 0.59 0.00 - 8 [ 0.58 .. 3.25]
1040-> LEU 29 HB3 - VAL 39 HG2* [ 0.00 8.78] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 - 1 [ 0.41 .. 0.41]
1041-> PRO 56 HG3 - LEU 57 HD2* [ 0.00 7.02] 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.01 .. 1.01]
1042-> PRO 56 HG3 - LEU 57 HD1* [ 0.00 7.02] 0.11 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.11 .. 0.59]
1044-> GLU 63 HG2 - LEU 80 HD2* [ 0.00 7.02] 0.00 1.73 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 - 3 [ 0.29 .. 1.73]
1046-> GLU 65 HG2 - LEU 80 HD1* [ 0.00 7.02] 0.31 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.54 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.11 .. 0.83]
1048-> GLU 65 HG3 - LEU 80 HD2* [ 0.00 7.02] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.26 .. 0.26]
1049-> ASP 44 HB3 - LEU 66 HD2* [ 0.00 7.02] 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 0.13 0.00 0.00 0.00 0.00 - 2 [ 0.12 .. 0.13]
1053-> GLU 103 HG3 - VAL 104 HG1* [ 0.00 7.02] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 - 1 [ 0.66 .. 0.66]
1061-> THR 67 HG2* - TRP 77 HA [ 0.00 6.95] 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.42 .. 0.42]
1064-> LEU 66 HD1* - ARG 78 HG3 [ 0.00 7.02] 0.00 0.00 2.15 0.33 0.00 1.33 0.00 0.70 0.96 0.00 0.39 0.49 0.51 1.39 0.11 1.06 0.00 0.60 1.12 1.51 - 14 [ 0.11 .. 2.15]
1069-> GLU 63 HG3 - LEU 80 HD2* [ 0.00 7.02] 0.00 1.54 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 1.25 .. 1.54]
1075-> ARG 74 HD3 - LEU 92 HD1* [ 0.00 5.62] 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.74 0.39 0.83 0.00 0.00 0.00 0.89 - 6 [ 0.19 .. 0.89]
1076-> GLU 90 HG3 - LEU 92 HD1* [ 0.00 4.97] 0.83 0.70 0.73 0.53 0.00 0.85 1.04 0.00 1.07 0.65 0.00 0.00 0.32 0.46 0.32 0.31 0.00 0.81 0.53 0.58 - 15 [ 0.31 .. 1.07]
1088-> GLU 103 HG2 - VAL 104 HG1* [ 0.00 7.02] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 - 1 [ 0.32 .. 0.32]
1093-> LEU 19 HD1* - PHE 140 HE* [ 0.00 9.15] 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.54 - 4 [ 0.54 .. 2.90]
1094-> VAL 22 HG2* - GLN 144 HA [ 0.00 7.02] 0.00 0.00 1.16 0.00 0.00 0.00 1.44 0.00 0.92 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.17 .. 1.44]
1095-> MET 138 HE* - ARG 142 HN [ 0.00 7.02] 0.00 0.00 0.00 0.67 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 - 2 [ 0.67 .. 1.18]
1105-> THR 67 HG2* - ALA 76 HA [ 0.00 7.02] 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.50 .. 0.50]
1108-> LEU 32 HD1* - VAL 51 HG1* [ 0.00 8.04] 0.00 0.00 0.00 0.00 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 0.56 0.00 0.00 - 2 [ 0.56 .. 0.96]
1123-> ASP 8 HB* - LEU 137 HD2* [ 0.00 4.75] 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.24 .. 0.24]
1135-> THR 11 HN - LYS 141 HB* [ 0.00 6.41] 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 0.06 0.00 0.00 0.00 - 2 [ 0.06 .. 2.62]
1142-> ILE 12 HA - GLN 144 HB* [ 0.00 6.88] 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.79 0.00 - 3 [ 0.66 .. 2.49]
1146-> ILE 12 HG2* - LYS 141 HG* [ 0.00 5.52] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.07 .. 0.35]
1148-> ILE 12 HG2* - GLU 145 HG* [ 0.00 5.39] 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.20 0.08 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 .. 2.14]
1149-> ILE 12 HG1* - PHE 140 HE* [ 0.00 9.01] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 1.83 0.00 0.00 0.00 0.28 0.00 0.00 0.65 - 4 [ 0.28 .. 1.83]
1153-> GLY 13 HN - GLU 145 HG* [ 0.00 6.16] 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 - 3 [ 0.44 .. 3.61]
1159-> LYS 14 HN - GLY 101 HA* [ 0.00 4.41] 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.38 .. 1.02]
1170-> LYS 14 HG* - LEU 26 HD* [ 0.00 7.04] 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.62 .. 0.69]
1174-> LYS 14 HD* - LEU 26 HB* [ 0.00 6.41] 0.27 2.13 0.56 1.38 3.60 0.14 0.56 0.00 0.00 2.32 0.00 3.30 0.54 3.07 0.81 0.00 2.10 0.00 1.70 0.00 - 14 [ 0.14 .. 3.60]
1175-> LYS 14 HD2 - LEU 26 HB2 [ 0.00 7.37] 0.87 3.85 0.90 2.07 4.29 0.49 1.65 0.92 0.00 3.71 1.19 5.53 1.67 4.51 1.79 0.73 3.87 0.40 3.25 0.44 - 19 [ 0.40 .. 5.53]
1176-> LYS 14 HD2 - LEU 26 HB3 [ 0.00 7.37] 1.40 2.15 0.78 1.67 4.97 1.34 1.59 0.00 0.00 2.60 0.39 5.55 0.31 4.49 0.74 0.00 2.24 0.86 1.72 0.00 - 16 [ 0.31 .. 5.55]
1177-> LYS 14 HD* - LEU 26 HD* [ 0.00 5.98] 0.00 0.35 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.22 0.00 0.00 1.45 0.00 0.00 0.00 - 5 [ 0.22 .. 1.45]
1178-> LYS 14 HD2 - LEU 26 HD2* [ 0.00 7.02] 0.00 0.03 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.90 0.00 0.00 1.52 0.00 0.00 0.00 - 5 [ 0.03 .. 2.32]
1191-> GLU 17 HA - TYR 20 HB* [ 0.00 5.73] 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.10 .. 0.19]
1192-> GLU 17 HA - GLY 72 HA* [ 0.00 5.55] 1.00 1.28 0.00 1.38 0.00 0.00 0.00 0.35 0.00 1.68 0.00 0.00 0.00 0.00 0.39 1.58 0.47 0.00 0.00 0.00 - 8 [ 0.35 .. 1.68]
1198-> LEU 19 HA - GLN 144 HE2* [ 0.00 6.86] 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 0.00 1.49 0.00 - 2 [ 0.33 .. 1.49]
1203-> LEU 19 HG - GLN 144 HE2* [ 0.00 6.86] 0.00 0.63 0.00 0.50 0.96 0.00 0.00 0.00 1.56 0.00 0.00 1.57 0.00 0.61 0.00 0.00 0.00 0.00 3.72 0.00 - 7 [ 0.50 .. 3.72]
1208-> VAL 22 HG1* - GLN 144 HE2* [ 0.00 4.65] 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.89 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.04 0.59 0.00 - 5 [ 0.04 .. 1.89]
1211-> ASP 25 HN - ASP 25 HB* [ 0.00 3.11] 0.29 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.01 - 5 [ 0.01 .. 0.29]
1221-> LEU 29 HB2 - VAL 39 HG2* [ 0.00 8.78] 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 0.12 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.03 .. 0.12]
1222-> LEU 29 HD1* - LEU 32 HB* [ 0.00 7.61] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.00 - 1 [ 0.15 .. 0.15]
1234-> ASP 43 HN - ARG 46 HB* [ 0.00 6.63] 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.37 .. 0.37]
1235-> ASP 43 HB* - ASP 44 HN [ 0.00 3.72] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.15 .. 0.15]
1239-> LYS 45 HA - LYS 45 HE* [ 0.00 4.00] 0.61 0.77 0.00 0.05 0.50 0.61 0.09 0.59 0.62 1.13 0.85 0.00 0.33 0.52 0.08 0.62 0.57 0.59 0.50 0.03 - 18 [ 0.03 .. 1.13]
1242-> LYS 45 HB* - LEU 66 HD2* [ 0.00 7.25] 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.15 .. 0.37]
1244-> LYS 45 HE* - LEU 66 HD2* [ 0.00 7.90] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 - 2 [ 0.91 .. 1.15]
1258-> PRO 56 HB* - GLU 65 HN [ 0.00 6.88] 0.00 0.00 0.00 2.65 1.33 3.45 0.00 1.00 0.00 0.00 0.00 0.94 2.74 0.00 0.00 1.74 0.00 1.48 0.00 0.00 - 8 [ 0.94 .. 3.45]
1259-> PRO 56 HB* - LEU 80 HD2* [ 0.00 5.88] 0.00 0.00 0.47 0.00 0.00 2.75 0.00 1.06 0.14 0.00 0.92 0.00 0.00 0.00 0.00 0.22 0.84 1.84 0.00 0.00 - 8 [ 0.14 .. 2.75]
1260-> PRO 56 HG* - LEU 80 HD2* [ 0.00 7.91] 0.00 0.00 0.14 0.00 0.00 2.38 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 - 4 [ 0.14 .. 2.38]
1263-> LEU 57 HB* - GLU 65 HN [ 0.00 6.88] 0.00 0.00 1.60 2.80 0.75 2.99 2.83 0.00 0.27 0.00 0.00 0.83 2.26 1.41 0.00 0.67 0.00 0.42 0.00 0.77 - 12 [ 0.27 .. 2.99]
1266-> VAL 60 HG1* - LEU 80 HB2 [ 0.00 10.12] 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.17 .. 0.17]
1270-> GLU 63 HB2 - LEU 80 HB3 [ 0.00 7.76] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.24 0.00 0.00 - 2 [ 0.22 .. 0.24]
1281-> LEU 66 HB* - ALA 68 HN [ 0.00 4.47] 0.00 0.00 0.00 0.00 0.07 0.00 0.27 0.03 0.23 0.00 0.06 0.00 0.00 0.00 0.69 0.00 0.46 0.20 0.00 0.00 - 8 [ 0.03 .. 0.69]
1285-> THR 67 HA - ARG 78 HB* [ 0.00 6.88] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.81 0.00 0.92 0.00 0.00 0.00 - 3 [ 0.27 .. 0.92]
1287-> THR 67 HG2* - ARG 78 HD* [ 0.00 5.90] 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 0.01 0.00 0.00 0.00 - 2 [ 0.01 .. 0.28]
1309-> ARG 74 HG* - GLU 90 HG* [ 0.00 6.21] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.24 .. 0.24]
1310-> ARG 74 HG* - LEU 92 HD1* [ 0.00 5.33] 0.00 0.60 0.00 0.33 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.50 0.30 0.35 0.44 0.00 0.00 0.52 - 8 [ 0.30 .. 0.68]
1313-> ILE 75 HD1* - PHE 93 HB* [ 0.00 7.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.17 0.00 0.47 0.00 0.00 0.00 - 3 [ 0.17 .. 0.47]
1317-> TRP 77 HB* - ARG 78 HN [ 0.00 3.77] 0.00 0.00 0.08 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 0.14 0.00 0.00 0.00 - 3 [ 0.08 .. 0.14]
1325-> LEU 80 HB2 - GLY 82 HA2 [ 0.00 6.36] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.79 .. 0.84]
1369-> VAL 104 HG1* - GLN 144 HG* [ 0.00 7.90] 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 2.52 .. 2.52]
1401-> GLU 145 HN - GLU 145 HG* [ 0.00 3.85] 0.00 0.00 0.00 0.10 0.00 0.14 0.00 0.00 0.13 0.00 0.00 0.15 0.00 0.13 0.00 0.00 0.00 0.00 0.08 0.00 - 6 [ 0.08 .. 0.15]
-------------------------------------------
Number of Violations greater than 0.10 64 101 87 70 55 60 54 66 80 60 69 86 68 71 64 57 86 63 63 60
-------------------------------------------
---- 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: 7 12 17 14 8 7 8 10 13 8 14 13 6 7 13 12 8 11 9 10 10.35
0.2 - 0.5 ang: 14 19 23 20 10 16 15 18 24 12 18 26 19 16 18 11 25 15 20 10 17.45
> 0.5 ang: 43 70 47 36 37 37 31 38 43 40 37 47 43 48 33 34 53 37 34 40 41.40
Total : 78 117 105 85 67 74 66 78 93 77 84 97 82 83 78 73 102 70 80 75 83.20
Minimum Violation : 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
Maximum Violation : 3.136 9.111 3.697 3.634 6.630 3.463 2.829 2.683 3.642 5.098 3.256 5.552 5.845 4.710 4.924 1.911 5.539 3.461 4.676 3.240 9.111
Max Intra Viol : 1.020 1.799 0.651 0.533 0.882 1.076 0.561 1.147 1.013 1.844 1.837 0.568 0.586 1.100 0.664 1.074 1.093 1.133 1.312 0.727 1.844
Max Seque Viol : 1.009 1.672 1.013 0.891 1.031 1.512 1.609 0.704 0.702 1.013 1.710 0.668 0.973 0.688 1.695 0.661 1.718 0.701 0.820 1.532 1.718
Max Medium Viol : 2.224 2.787 2.054 2.413 2.350 2.235 2.396 1.895 1.903 2.054 1.289 2.861 2.837 4.091 0.802 1.587 1.999 2.283 3.024 1.682 4.091
Max Long Viol : 3.136 9.111 3.697 3.634 6.630 3.463 2.829 2.683 3.642 5.098 3.256 5.552 5.845 4.710 4.924 1.911 5.539 3.461 4.676 3.240 9.111
Average Violation : 0.037 0.108 0.047 0.045 0.048 0.046 0.034 0.039 0.041 0.045 0.039 0.070 0.061 0.054 0.034 0.030 0.063 0.038 0.051 0.034 0.04819
Avge Intra Viol : 0.018 0.026 0.010 0.010 0.015 0.016 0.008 0.018 0.018 0.030 0.022 0.010 0.012 0.022 0.009 0.012 0.012 0.012 0.015 0.007 0.01510
Avge Seque Viol : 0.019 0.026 0.023 0.015 0.021 0.019 0.019 0.015 0.021 0.017 0.007 0.023 0.013 0.023 0.008 0.013 0.013 0.017 0.018 0.016 0.01728
Avge Mediu Viol : 0.043 0.052 0.055 0.025 0.034 0.042 0.034 0.022 0.020 0.029 0.061 0.023 0.030 0.013 0.034 0.020 0.046 0.020 0.030 0.044 0.03388
Avge Long Viol : 0.065 0.260 0.091 0.102 0.100 0.093 0.066 0.081 0.082 0.087 0.076 0.169 0.148 0.117 0.076 0.060 0.150 0.081 0.112 0.066 0.10415
RMS Violation : 0.208 0.609 0.252 0.268 0.369 0.286 0.221 0.225 0.221 0.301 0.237 0.415 0.396 0.351 0.233 0.177 0.364 0.233 0.333 0.211 0.31164
RMS Intra : 0.110 0.164 0.057 0.059 0.090 0.098 0.049 0.119 0.102 0.175 0.143 0.058 0.070 0.118 0.060 0.092 0.091 0.092 0.097 0.059 0.10133
RMS Sequential : 0.152 0.191 0.175 0.153 0.183 0.180 0.156 0.150 0.154 0.148 0.076 0.204 0.149 0.257 0.069 0.126 0.120 0.162 0.204 0.144 0.16310
RMS Medium range : 0.164 0.213 0.183 0.105 0.148 0.181 0.181 0.095 0.089 0.146 0.242 0.093 0.125 0.071 0.182 0.078 0.195 0.089 0.114 0.188 0.15232
RMS Long range : 0.296 1.009 0.378 0.426 0.594 0.436 0.326 0.339 0.332 0.466 0.359 0.676 0.655 0.532 0.377 0.261 0.597 0.353 0.523 0.311 0.49398
Final --global-- Summary for 20 models, 1406 NOEs/model, 28120 NOEs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ of viol : 1355.071
Summ sq. viol : 2731.032
Maximum viol : 9.111
Average viol : 0.04819
RMSD viol : 0.31164
Std. Dev. viol : 0.30789
RMS Intra : 0.10133
RMS Seque : 0.16310
RMS Medi : 0.15232
RMS Long : 0.49398
table of dihedral angle constraints violations
1-> [THR A 4] PHI -145.0 -67.0 0.0 15.1 0.0 0.0 0.0 0.0 0.0 0.0 1.5 0.0 0.0 0.0 0.0 0.0 0.0 15.1 0.0 0.0 0.0 16.3 - 4 [ 0.0 .. 16.3]
2-> [THR A 4] PSI 123.0 143.0 3.0 10.4 13.4 34.1 0.0 0.0 0.0 3.0 2.1 0.0 4.1 0.0 4.4 0.0 0.0 26.8 0.0 7.0 5.7 7.6 - 12 [ 0.0 .. 34.1]
3-> [VAL A 5] PHI -125.0 -91.0 0.0 9.0 0.0 20.8 0.0 0.0 1.5 0.0 12.1 0.0 0.0 0.0 0.0 0.3 0.0 9.9 0.0 0.0 4.0 0.0 - 7 [ 0.0 .. 20.8]
5-> [VAL A 6] PHI -153.0 -79.0 0.0 0.0 0.0 10.9 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 - 2 [ 0.0 .. 10.9]
6-> [VAL A 6] PSI 117.0 151.0 18.0 0.0 0.0 13.3 0.0 8.0 0.0 0.0 0.0 3.0 0.0 0.0 12.8 2.8 0.0 0.0 0.0 0.0 5.9 3.3 - 8 [ 0.0 .. 18.0]
7-> [ARG A 7] PHI -141.0 -91.0 0.0 2.6 0.0 0.0 0.0 0.0 0.0 0.0 26.0 0.0 19.0 0.0 0.0 0.0 10.1 0.0 0.0 8.4 0.0 0.0 - 5 [ 0.0 .. 26.0]
8-> [ARG A 7] PSI 111.0 167.0 11.5 0.9 1.7 11.2 37.0 13.9 0.0 0.9 0.0 12.2 0.0 0.8 10.9 0.0 0.0 0.0 0.0 0.0 28.6 0.0 - 11 [ 0.0 .. 37.0]
9-> [ASP A 8] PHI -157.0 -89.0 1.6 0.0 4.0 2.6 0.0 2.7 0.0 0.0 7.3 22.9 3.2 9.6 9.2 2.7 3.8 0.0 0.0 4.8 0.0 0.0 - 12 [ 0.0 .. 22.9]
10-> [ASP A 8] PSI 125.0 171.0 21.9 0.0 16.3 0.3 4.1 13.2 0.0 0.0 0.0 3.5 0.0 0.0 0.0 0.0 14.0 0.0 1.6 14.0 0.0 0.0 - 9 [ 0.0 .. 21.9]
11-> [ALA A 9] PHI -161.0 -111.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 15.1 0.0 0.0 0.0 0.0 2.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 15.1]
14-> [VAL A 10] PSI 127.0 155.0 0.0 0.0 0.0 0.0 0.0 5.0 10.0 11.9 0.0 0.0 1.9 0.0 1.3 4.8 0.0 0.0 0.0 0.0 0.0 0.0 - 6 [ 0.0 .. 11.9]
15-> [THR A 11] PHI -125.0 -85.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.8]
19-> [GLU A 17] PHI -69.0 -49.0 9.0 0.0 0.0 0.0 6.3 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 1.1 0.0 - 3 [ 0.0 .. 9.0]
20-> [GLU A 17] PSI -55.0 -33.0 0.0 0.8 4.6 3.0 16.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.1 14.0 10.1 - 7 [ 0.0 .. 16.2]
21-> [GLN A 18] PHI -89.0 -45.0 12.8 16.4 0.0 18.1 0.0 0.0 0.0 0.0 6.5 10.1 0.0 17.6 0.0 2.5 1.0 0.0 0.0 0.0 0.0 0.0 - 8 [ 0.0 .. 18.1]
22-> [GLN A 18] PSI -73.0 -9.0 13.2 18.3 5.9 20.0 4.0 0.0 4.1 7.7 14.2 13.1 0.0 27.7 0.0 29.0 7.3 18.0 0.0 19.4 0.0 10.7 - 15 [ 0.0 .. 29.0]
23-> [LEU A 19] PHI -83.0 -53.0 9.9 0.0 22.1 21.1 0.0 2.3 11.1 13.4 17.1 4.6 1.6 3.6 0.0 29.0 9.0 28.9 0.3 30.9 18.5 15.7 - 17 [ 0.0 .. 30.9]
24-> [LEU A 19] PSI -55.0 -21.0 0.0 0.0 38.2 10.4 3.6 15.7 18.3 23.8 41.7 5.1 6.0 0.0 1.0 11.1 0.0 0.0 1.1 10.7 31.8 27.1 - 15 [ 0.0 .. 41.7]
25-> [TYR A 20] PHI -71.0 -49.0 30.7 19.0 4.2 33.7 2.0 2.8 0.8 13.3 13.2 19.6 21.7 42.9 9.4 54.8 15.6 29.1 29.0 12.7 23.9 33.2 - 20 [ 0.8 .. 54.8]
26-> [TYR A 20] PSI -57.0 -25.0 6.7 0.0 3.1 20.8 0.0 0.0 6.3 0.4 1.5 0.0 0.0 17.6 0.0 26.9 22.6 0.0 5.5 3.1 0.0 17.5 - 12 [ 0.0 .. 26.9]
27-> [ALA A 21] PHI -75.0 -53.0 0.0 4.4 10.0 23.6 6.9 0.0 0.0 22.9 0.1 0.0 14.6 0.0 0.0 5.8 0.0 6.9 0.0 0.6 5.1 7.0 - 12 [ 0.0 .. 23.6]
28-> [ALA A 21] PSI -69.0 -5.0 0.0 0.0 65.2 10.5 65.8 0.0 0.0 11.3 0.0 0.0 24.7 0.0 0.0 0.0 0.0 66.7 0.0 0.0 0.0 0.9 - 7 [ 0.0 .. 66.7]
29-> [VAL A 22] PHI -77.0 -53.0 0.0 0.0 2.3 0.0 50.4 0.0 0.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 44.1 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 50.4]
30-> [VAL A 22] PSI -55.0 -23.0 0.0 3.3 2.4 12.5 28.9 21.1 0.0 3.0 4.9 0.0 11.0 8.6 0.0 7.8 0.0 43.1 2.4 25.5 13.4 3.0 - 15 [ 0.0 .. 43.1]
31-> [TRP A 23] PHI -83.0 -45.0 2.6 0.0 0.0 0.0 35.7 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 - 3 [ 0.0 .. 35.7]
32-> [TRP A 23] PSI -53.0 -9.0 0.0 1.4 0.0 0.0 0.0 4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10.2 0.0 - 3 [ 0.0 .. 10.2]
33-> [GLU A 63] PHI -153.0 -87.0 0.0 17.6 20.2 32.0 0.0 1.9 0.0 2.0 25.9 0.0 0.0 1.3 0.0 19.2 24.0 11.1 0.0 4.8 0.0 7.6 - 12 [ 0.0 .. 32.0]
34-> [GLU A 63] PSI 99.0 165.0 0.0 0.0 0.0 0.0 0.0 0.0 14.3 6.3 0.0 0.0 0.0 15.0 0.0 5.0 0.0 0.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 15.0]
35-> [ALA A 64] PHI -167.0 -75.0 0.0 0.0 0.0 9.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 9.8]
36-> [ALA A 64] PSI 117.0 -173.0 0.0 0.0 42.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 34.2 0.0 - 2 [ 0.0 .. 42.3]
37-> [GLU A 65] PHI -163.0 -109.0 9.0 0.0 26.4 0.0 0.0 0.0 24.0 0.0 9.5 17.8 19.3 0.0 20.8 0.0 9.0 17.1 0.0 9.1 34.2 0.0 - 11 [ 0.0 .. 34.2]
38-> [GLU A 65] PSI 137.0 173.0 19.6 2.6 2.1 0.0 0.0 14.4 32.3 0.0 26.5 9.4 6.8 23.5 33.9 9.2 27.5 0.0 22.0 10.7 43.3 0.0 - 15 [ 0.0 .. 43.3]
39-> [ARG A 74] PHI -171.0 -93.0 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 0.0 0.0 - 1 [ 0.0 .. 2.3]
40-> [ARG A 74] PSI 105.0 155.0 0.0 0.0 0.0 0.0 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 - 1 [ 0.0 .. 1.9]
45-> [TRP A 77] PHI -175.0 -81.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 11.0 0.0 - 1 [ 0.0 .. 11.0]
46-> [TRP A 77] PSI 125.0 171.0 0.0 0.0 50.1 0.0 0.0 0.0 0.0 0.3 19.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 57.6 0.0 0.0 0.0 - 4 [ 0.0 .. 57.6]
47-> [ARG A 78] PHI 179.0 -113.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 12.1 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 .. 12.1]
48-> [ARG A 78] PSI 121.0 173.0 0.0 0.0 0.0 0.0 0.0 0.0 17.7 0.0 0.0 4.5 0.0 2.4 4.6 0.0 0.0 7.1 0.9 0.0 0.0 8.9 - 7 [ 0.0 .. 17.7]
50-> [ASN A 87] PSI 133.0 173.0 0.0 55.4 3.1 0.0 53.0 39.3 19.6 20.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7.0 0.0 8.0 58.8 0.0 - 9 [ 0.0 .. 58.8]
51-> [SER A 88] PHI -175.0 -97.0 0.0 25.9 0.0 0.0 0.4 0.0 12.4 0.0 0.0 0.0 31.4 0.0 0.0 18.8 0.0 0.0 0.0 0.0 0.5 11.3 - 7 [ 0.0 .. 31.4]
52-> [SER A 88] PSI 129.0 175.0 22.4 0.0 0.0 0.0 0.0 0.0 0.0 9.9 1.7 0.0 0.0 12.3 0.0 0.0 0.0 1.1 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 22.4]
53-> [GLU A 90] PHI -163.0 -103.0 0.0 0.0 0.0 0.0 0.0 0.0 0.1 2.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 27.9 0.0 0.0 0.0 - 3 [ 0.0 .. 27.9]
56-> [VAL A 91] PSI 119.0 151.0 0.0 0.0 0.0 0.0 3.4 0.0 0.0 0.0 0.0 1.1 4.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 4.9]
57-> [LEU A 92] PHI -159.0 -95.0 0.0 0.0 0.0 0.0 1.4 0.0 0.0 0.0 0.0 0.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.4]
60-> [PHE A 93] PSI 107.0 -177.0 5.0 4.6 0.9 0.0 0.0 0.0 0.0 0.0 15.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.4 0.0 - 5 [ 0.0 .. 15.9]
61-> [ARG A 94] PHI -141.0 -77.0 0.0 0.0 0.0 0.0 6.0 5.5 6.1 4.0 0.0 0.5 11.5 7.8 6.1 6.7 9.0 0.0 9.0 3.9 0.0 9.0 - 13 [ 0.0 .. 11.5]
62-> [ARG A 94] PSI 145.0 165.0 25.0 15.0 29.3 15.0 0.0 0.0 0.0 0.0 14.5 0.0 0.0 0.0 0.0 0.0 0.0 23.8 0.0 0.0 0.0 0.0 - 6 [ 0.0 .. 29.3]
67-> [VAL A 104] PHI -131.0 -89.0 0.0 0.0 2.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.9]
70-> [VAL A 105] PSI 111.0 147.0 0.0 0.0 0.0 0.0 2.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.4]
72-> [VAL A 106] PSI 115.0 147.0 0.0 7.3 0.0 0.0 8.9 0.0 0.0 0.0 0.0 0.0 7.7 0.0 0.0 0.0 0.0 10.4 0.0 0.0 4.2 0.0 - 5 [ 0.0 .. 10.4]
73-> [ARG A 107] PHI -147.0 -89.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.6 0.0 0.0 0.0 0.0 2.9 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 2.9]
74-> [ARG A 107] PSI 99.0 157.0 0.0 9.0 14.3 0.0 11.8 11.5 0.0 0.0 0.0 16.3 0.0 0.0 0.6 0.0 0.0 0.0 0.0 0.0 12.7 0.0 - 7 [ 0.0 .. 16.3]
75-> [LEU A 108] PHI -155.0 -75.0 0.0 0.0 0.0 0.0 4.8 0.0 0.0 0.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 4.8]
76-> [LEU A 108] PSI 121.0 151.0 5.1 0.0 0.0 14.9 1.4 0.0 0.0 0.0 0.0 0.0 4.4 0.0 0.0 3.8 11.5 0.0 0.0 4.0 0.0 0.0 - 7 [ 0.0 .. 14.9]
77-> [THR A 109] PHI -173.0 -85.0 0.0 5.6 0.0 20.0 16.9 0.0 0.0 0.0 13.6 15.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 25.4 0.0 - 6 [ 0.0 .. 25.4]
78-> [THR A 109] PSI 121.0 -179.0 0.0 1.8 7.1 0.0 0.0 0.0 0.6 0.0 0.0 1.8 0.0 1.3 1.9 12.8 0.0 0.0 0.0 17.2 0.0 0.0 - 8 [ 0.0 .. 17.2]
79-> [TYR A 110] PHI -171.0 -89.0 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 3.0 0.0 0.0 0.0 11.8 0.0 0.0 - 3 [ 0.0 .. 11.8]
80-> [TYR A 110] PSI 113.0 179.0 0.0 0.0 0.0 0.0 39.7 0.0 0.0 0.0 27.1 0.0 0.0 0.0 13.0 0.0 0.0 33.6 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 39.7]
81-> [ARG A 111] PHI -163.0 -61.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.4 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.4]
82-> [ARG A 111] PSI 145.0 165.0 35.7 20.0 15.3 53.7 18.1 18.3 37.7 0.0 0.0 0.0 16.3 6.2 0.0 0.0 26.6 0.0 9.1 0.0 1.0 15.0 - 13 [ 0.0 .. 53.7]
83-> [SER A 116] PHI -85.0 -47.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 14.1 0.0 0.0 0.0 0.0 0.0 25.0 0.0 0.0 - 2 [ 0.0 .. 25.0]
84-> [SER A 116] PSI -63.0 -13.0 0.0 0.0 9.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 9.9]
88-> [GLY A 118] PSI -63.0 -21.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.2 0.0 0.0 - 2 [ 0.0 .. 6.0]
90-> [ALA A 119] PSI -55.0 -21.0 0.0 0.0 0.0 0.0 6.5 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 - 1 [ 0.0 .. 6.5]
93-> [ILE A 121] PHI -75.0 -55.0 0.0 0.0 0.0 0.0 0.0 0.0 3.6 0.0 0.0 0.0 4.6 0.0 0.0 0.0 0.0 0.0 5.1 0.0 0.0 0.0 - 3 [ 0.0 .. 5.1]
94-> [ILE A 121] PSI -57.0 -23.0 0.0 0.0 0.0 0.0 2.9 0.0 3.0 0.0 0.0 0.0 9.4 0.0 0.0 0.0 0.0 0.0 10.1 0.2 0.0 0.0 - 5 [ 0.0 .. 10.1]
95-> [ALA A 122] PHI -83.0 -49.0 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 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.4]
97-> [ARG A 123] PHI -89.0 -57.0 0.0 0.0 0.0 1.4 9.1 7.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10.4 0.0 0.0 0.0 - 4 [ 0.0 .. 10.4]
99-> [MET A 124] PHI -71.0 -49.0 1.6 2.0 0.0 0.0 0.0 4.3 0.0 0.0 5.9 0.0 2.5 0.0 0.0 0.0 0.0 0.0 3.7 0.0 7.1 4.0 - 8 [ 0.0 .. 7.1]
100-> [MET A 124] PSI -53.0 -27.0 0.0 3.8 0.0 0.0 6.2 0.0 0.0 0.0 1.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 11.4 - 4 [ 0.0 .. 11.4]
101-> [ASP A 135] PHI -71.0 -49.0 0.0 0.0 2.5 1.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6.1 0.0 0.0 - 3 [ 0.0 .. 6.1]
102-> [ASP A 135] PSI -55.0 -31.0 0.0 0.0 0.0 11.7 7.9 0.0 1.2 0.0 0.0 0.0 0.0 0.0 0.0 3.7 1.4 0.0 0.0 2.5 10.6 0.0 - 7 [ 0.0 .. 11.7]
103-> [ASP A 136] PHI -73.0 -53.0 16.6 0.0 0.0 0.0 12.5 1.9 0.0 0.0 2.3 0.0 15.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 27.8 - 6 [ 0.0 .. 27.8]
104-> [ASP A 136] PSI -53.0 -31.0 6.8 0.0 0.0 11.0 4.9 9.5 0.0 3.3 2.1 0.0 13.8 0.0 0.0 0.0 5.4 0.8 0.0 0.0 0.0 0.0 - 9 [ 0.0 .. 13.8]
105-> [LEU A 137] PHI -79.0 -53.0 7.2 16.9 0.0 0.0 0.0 5.1 0.0 0.0 0.0 0.0 0.0 3.6 1.6 0.5 0.0 0.0 0.0 3.4 0.0 0.0 - 7 [ 0.0 .. 16.9]
106-> [LEU A 137] PSI -59.0 -21.0 16.6 8.1 0.0 0.9 0.0 17.6 0.0 0.0 2.5 0.0 0.0 2.2 0.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 - 7 [ 0.0 .. 17.6]
107-> [MET A 138] PHI -75.0 -55.0 0.0 5.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.3 0.0 0.0 0.0 9.9 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 9.9]
108-> [MET A 138] PSI -47.0 -27.0 13.0 11.9 0.0 12.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.5 0.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 13.0]
109-> [ARG A 139] PHI -81.0 -53.0 0.0 0.0 0.0 19.0 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 - 2 [ 0.0 .. 19.0]
111-> [PHE A 140] PHI -77.0 -57.0 0.0 0.0 0.0 5.8 0.0 1.2 0.0 0.0 0.0 0.0 0.0 0.0 22.6 1.3 0.0 0.0 1.1 0.0 0.0 0.0 - 5 [ 0.0 .. 22.6]
112-> [PHE A 140] PSI -53.0 -31.0 0.0 1.2 0.0 0.0 5.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.5 0.0 0.0 0.0 0.0 0.5 0.0 0.0 - 4 [ 0.0 .. 5.9]
114-> [LYS A 141] PSI -57.0 -35.0 0.0 0.0 0.0 11.1 0.0 2.4 0.0 0.0 0.0 0.0 0.0 0.0 6.5 0.0 0.0 0.0 0.0 0.0 3.0 0.0 - 4 [ 0.0 .. 11.1]
115-> [ARG A 142] PHI -73.0 -51.0 0.0 5.0 0.5 12.1 28.8 1.9 0.0 0.0 0.0 0.0 0.0 0.0 2.0 0.0 0.0 0.0 0.0 2.3 0.0 0.0 - 7 [ 0.0 .. 28.8]
116-> [ARG A 142] PSI -61.0 -13.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.3 0.0 1.3 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 3.3]
117-> [GLU A 143] PHI -79.0 -53.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7.4 11.7 0.0 0.0 0.0 19.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 19.1]
118-> [GLU A 143] PSI -55.0 -13.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 14.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 14.9]
119-> [GLN A 144] PHI -97.0 -49.0 0.0 0.0 0.0 0.0 0.0 3.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 3.3]
121-> [GLU A 145] PHI -111.0 -45.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 16.5 - 1 [ 0.0 .. 16.5]
122-> [GLU A 145] PSI -67.0 -5.0 0.0 0.0 0.0 0.0 1.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 35.0 - 2 [ 0.0 .. 35.0]
124-> [LEU A 146] PSI -61.0 9.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.8 0.0 0.1 0.0 0.0 0.0 - 2 [ 0.0 .. 2.8]
130-> [GLU A 3] PHI 45.0 -45.0 0.0 0.0 0.0 0.0 5.5 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 1.4 0.0 - 3 [ 0.0 .. 5.5]
136-> [THR A 4] CHI1 -165.0 45.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6.5 0.0 0.0 0.0 11.3 - 2 [ 0.0 .. 11.3]
147-> [VAL A 10] CHI1 -95.0 -45.0 0.0 108.2 106.4 0.0 0.0 0.0 0.0 0.0 0.0 104.7 87.0 0.0 84.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 108.2]
148-> [THR A 11] CHI1 165.0 15.0 0.0 0.0 0.0 0.0 41.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 39.4 0.0 0.0 0.0 36.8 0.0 0.0 0.0 - 3 [ 0.0 .. 41.6]
161-> [LYS A 14] PSI 145.0 165.0 0.0 5.6 1.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.7 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 5.6]
162-> [PRO A 15] PSI -55.0 -25.0 0.0 0.0 0.0 0.0 5.0 5.8 3.4 0.0 3.5 4.6 0.0 4.8 6.0 0.0 5.6 0.0 4.9 4.6 5.3 0.0 - 11 [ 0.0 .. 6.0]
163-> [ALA A 16] PHI 175.0 -45.0 10.0 0.0 20.3 20.1 8.7 10.0 20.0 20.1 20.0 9.9 20.0 1.1 12.0 20.0 0.0 20.0 0.0 20.1 0.1 20.0 - 18 [ 0.0 .. 20.3]
175-> [TYR A 20] CHI2 25.0 -25.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 13.0 0.0 0.0 0.0 - 2 [ 0.0 .. 13.0]
177-> [VAL A 22] CHI1 45.0 85.0 0.0 105.2 111.5 106.6 106.2 103.7 0.0 0.0 110.1 102.0 106.1 107.6 82.2 104.2 0.0 107.9 98.7 108.8 105.5 0.0 - 15 [ 0.0 .. 111.5]
186-> [ARG A 24] PSI -85.0 -165.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 19.9 0.0 1.4 0.0 0.0 0.0 0.0 0.0 0.0 0.6 - 3 [ 0.0 .. 19.9]
188-> [ASP A 25] PHI -175.0 65.0 10.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10.0 0.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 10.0]
189-> [ASP A 25] CHI1 85.0 -85.0 17.1 22.1 21.0 0.0 0.0 0.0 0.0 0.0 0.0 21.9 25.0 12.9 0.0 24.0 22.5 0.0 0.0 0.0 0.0 22.8 - 9 [ 0.0 .. 25.0]
192-> [LEU A 26] PHI 45.0 -105.0 16.1 0.0 0.0 0.0 2.3 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 1.2 0.0 - 4 [ 0.0 .. 16.1]
193-> [LEU A 26] PHI 175.0 65.0 0.0 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 0.0 0.0 2.2 0.0 0.0 0.0 - 3 [ 0.0 .. 2.2]
195-> [LEU A 26] CHI1 -115.0 65.0 67.3 0.0 0.0 0.0 0.0 58.5 58.1 67.5 66.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 65.9 0.0 0.0 - 6 [ 0.0 .. 67.5]
198-> [LEU A 26] PSI 65.0 165.0 0.0 15.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.0 15.7 11.2 4.2 0.1 0.0 3.8 0.0 0.0 5.2 11.4 - 9 [ 0.0 .. 15.7]
199-> [LEU A 26] PSI 155.0 85.0 28.1 0.0 0.0 4.5 0.0 0.0 0.0 21.8 16.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 25.0 0.0 0.0 - 5 [ 0.0 .. 28.1]
210-> [LEU A 29] PSI 55.0 165.0 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 7.7 1.6 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 7.7]
211-> [LEU A 29] PSI 145.0 85.0 0.0 16.1 0.0 0.0 21.8 0.0 0.0 12.5 2.7 10.9 4.8 0.0 0.0 0.0 0.0 0.0 12.4 25.0 0.0 11.7 - 9 [ 0.0 .. 25.0]
212-> [PRO A 30] PSI 65.0 5.0 0.0 5.6 0.0 22.3 0.0 0.0 4.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10.1 0.0 - 4 [ 0.0 .. 22.3]
218-> [LEU A 31] CHI1 -165.0 175.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.0 0.0 0.0 0.0 0.0 1.5 0.0 - 2 [ 0.0 .. 5.0]
228-> [LEU A 32] PSI -85.0 145.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 28.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 28.9]
235-> [THR A 34] PHI 45.0 -45.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 9.9]
236-> [THR A 34] PHI 175.0 75.0 5.1 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 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 5.1]
239-> [THR A 34] PSI -85.0 -165.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10.0 18.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 18.2]
253-> [ARG A 37] PHI 175.0 75.0 14.3 0.0 0.0 0.0 0.0 0.0 10.0 7.2 10.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 14.3]
260-> [SER A 38] PSI -85.0 -155.0 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 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.3]
262-> [VAL A 39] PHI 175.0 75.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9.9 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 9.9]
272-> [GLU A 40] PSI 15.0 -165.0 53.2 0.0 39.9 0.0 40.4 0.0 10.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 20.1 0.0 40.0 0.0 0.0 - 6 [ 0.0 .. 53.2]
273-> [VAL A 41] PHI -165.0 -45.0 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 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 4.8]
274-> [VAL A 41] CHI1 45.0 -155.0 94.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 94.3]
276-> [VAL A 41] PSI 105.0 -5.0 0.0 0.0 0.0 0.0 6.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 6.1]
277-> [VAL A 41] PSI -55.0 165.0 0.0 3.3 0.0 0.0 0.0 0.0 0.0 15.9 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 .. 15.9]
283-> [LEU A 42] PSI -85.0 -15.0 0.0 0.0 0.0 13.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 13.4]
287-> [ASP A 43] PSI 115.0 5.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.3 43.0 0.7 0.0 28.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 43.0]
288-> [ASP A 43] PSI -85.0 -155.0 0.0 0.0 0.0 1.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.9]
290-> [ASP A 44] PHI 175.0 65.0 0.0 0.0 0.0 2.1 0.0 0.0 0.0 0.0 2.6 10.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 10.1]
299-> [LYS A 45] PSI -85.0 85.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 14.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 14.1]
301-> [ARG A 46] PHI 175.0 75.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 1.4 0.0 0.0 0.0 0.0 0.0 0.0 10.0 0.0 - 3 [ 0.0 .. 10.0]
305-> [ARG A 46] PSI 95.0 -165.0 6.5 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 2.8 0.0 0.0 0.0 - 2 [ 0.0 .. 6.5]
310-> [ARG A 48] PHI 175.0 75.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 10.0]
314-> [ARG A 48] PSI -85.0 -165.0 9.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6.7 0.0 0.0 - 2 [ 0.0 .. 9.2]
316-> [TRP A 49] PHI 175.0 75.0 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 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 11.5]
320-> [TRP A 49] PSI -85.0 -165.0 0.0 0.0 16.7 19.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 19.9]
326-> [VAL A 51] PHI 45.0 -45.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.3 0.0 0.0 0.0 - 1 [ 0.0 .. 3.3]
327-> [VAL A 51] PHI 175.0 75.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 3.2]
331-> [VAL A 51] PSI -85.0 -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 0.0 0.0 12.2 0.0 0.0 0.0 - 1 [ 0.0 .. 12.2]
332-> [GLU A 52] PHI 45.0 -45.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.5 0.0 - 1 [ 0.0 .. 1.5]
337-> [GLU A 52] PSI -85.0 135.0 20.5 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 - 1 [ 0.0 .. 20.5]
341-> [ALA A 53] PSI 145.0 85.0 22.8 3.8 0.0 1.4 0.0 0.8 0.0 0.0 21.0 0.0 0.0 2.0 0.0 0.0 0.0 0.1 0.0 0.0 0.0 20.9 - 8 [ 0.0 .. 22.8]
342-> [PRO A 54] PSI 115.0 -165.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.3 0.0 0.0 0.0 0.0 4.8 0.0 5.1 0.0 0.0 - 3 [ 0.0 .. 5.1]
345-> [ALA A 55] PSI 65.0 165.0 0.0 0.0 0.0 0.0 0.0 3.7 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 - 2 [ 0.0 .. 3.9]
346-> [ALA A 55] PSI 145.0 85.0 0.0 0.0 0.4 9.8 0.0 0.0 0.0 9.7 0.0 0.1 13.6 0.1 0.0 0.0 0.0 5.1 0.0 20.0 0.0 0.0 - 8 [ 0.0 .. 20.0]
348-> [PRO A 56] PSI -55.0 -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 0.0 0.0 6.1 0.0 0.0 0.0 - 1 [ 0.0 .. 6.1]
360-> [ALA A 59] PSI -85.0 -155.0 0.0 10.0 0.0 0.0 0.0 0.0 0.0 0.0 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 .. 10.0]
368-> [SER A 61] PHI 175.0 75.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 49.4 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 .. 49.4]
369-> [SER A 61] PSI -85.0 -155.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 30.0 3.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 30.0]
375-> [TRP A 62] PSI 125.0 5.0 4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 0.0 1.5 0.0 0.0 - 3 [ 0.0 .. 25.0]
376-> [TRP A 62] PSI -35.0 -165.0 0.0 0.0 0.0 8.1 0.0 10.2 0.0 0.0 0.0 44.5 10.0 0.0 0.0 0.0 15.4 0.0 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 44.5]
398-> [ALA A 68] PSI 125.0 -155.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 19.3 0.0 0.0 0.0 - 1 [ 0.0 .. 19.3]
409-> [GLU A 70] PSI 145.0 85.0 25.7 19.6 15.0 0.0 0.0 0.0 0.0 0.0 0.0 28.3 29.6 29.8 0.0 9.2 26.9 15.2 12.3 25.1 0.0 26.0 - 12 [ 0.0 .. 29.8]
436-> [LEU A 80] PHI -175.0 65.0 0.1 2.4 0.0 0.0 0.0 0.0 0.0 1.9 0.0 10.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 10.1]
437-> [LEU A 80] CHI1 -125.0 -25.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 48.5 44.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 48.5]
438-> [LEU A 80] CHI2 85.0 -165.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 18.1 13.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 110.8 - 3 [ 0.0 .. 110.8]
439-> [LEU A 80] PSI 145.0 165.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 25.5 13.1 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 3.6 0.0 - 4 [ 0.0 .. 25.5]
453-> [ILE A 85] PHI 45.0 -45.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.3 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 4.3]
466-> [GLU A 86] PSI -85.0 -165.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10.1 0.0 - 2 [ 0.0 .. 10.1]
483-> [PHE A 93] CHI2 25.0 -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 15.1 0.0 0.0 0.0 - 1 [ 0.0 .. 15.1]
486-> [ARG A 94] CHI1 -115.0 85.0 59.5 58.2 62.3 64.8 0.0 0.0 0.0 0.0 59.6 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 .. 64.8]
491-> [ALA A 96] PSI 145.0 165.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 26.8 0.5 0.0 0.0 5.3 14.8 6.3 0.0 0.0 0.0 0.0 9.2 0.0 - 7 [ 0.0 .. 26.8]
514-> [VAL A 104] CHI1 -55.0 85.0 96.1 95.6 94.9 93.9 90.9 95.6 95.1 95.0 93.3 95.2 91.4 93.8 95.2 95.7 95.7 93.7 94.6 96.1 94.1 96.5 - 20 [ 90.9 .. 96.5]
532-> [TYR A 110] CHI2 25.0 -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 17.4 0.0 0.0 0.0 0.0 3.3 0.0 0.0 - 2 [ 0.0 .. 17.4]
535-> [ARG A 111] CHI1 -115.0 85.0 0.0 55.7 0.0 0.0 0.0 59.0 65.9 0.0 0.0 0.0 61.8 0.0 0.0 0.0 62.1 0.0 55.7 0.0 0.0 65.4 - 7 [ 0.0 .. 65.9]
537-> [PRO A 112] PSI 155.0 175.0 0.0 14.2 34.1 3.7 0.0 10.0 0.0 37.6 33.1 0.0 18.1 0.1 0.0 3.7 0.0 0.0 15.1 0.0 0.0 7.2 - 11 [ 0.0 .. 37.6]
560-> [PHE A 125] CHI2 25.0 -25.0 10.9 0.0 0.0 0.0 0.0 0.0 5.3 0.0 0.0 0.0 0.0 0.0 0.0 19.3 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 19.3]
562-> [PHE A 125] PSI -85.0 -165.0 0.0 0.0 0.0 0.0 0.0 24.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.1 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 24.8]
564-> [ASN A 126] PHI 175.0 75.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.3 0.0 0.0 0.0 - 1 [ 0.0 .. 2.3]
569-> [GLN A 127] PHI 175.0 75.0 0.0 0.0 10.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 10.0]
573-> [GLN A 127] PSI -85.0 -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 0.0 0.0 7.8 0.0 0.0 0.0 - 1 [ 0.0 .. 7.8]
580-> [GLU A 128] PSI 145.0 85.0 0.0 9.9 11.0 0.0 0.0 0.0 0.0 15.5 0.0 5.5 0.0 2.1 9.5 0.0 5.0 6.4 3.9 0.0 0.0 0.0 - 9 [ 0.0 .. 15.5]
581-> [PRO A 129] PSI 65.0 -5.0 0.0 0.0 0.0 6.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 6.9]
591-> [GLN A 131] PSI -85.0 -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 0.0 20.0 0.0 20.7 0.0 0.0 - 2 [ 0.0 .. 20.7]
592-> [GLN A 132] PHI 45.0 -45.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.8 0.0 0.0 - 1 [ 0.0 .. 1.8]
593-> [GLN A 132] PHI 175.0 75.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.0]
597-> [GLN A 132] PSI -85.0 -165.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 20.1 0.0 0.0 19.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 20.1]
604-> [LEU A 133] PSI -85.0 -155.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 20.1 0.0 0.0 0.0 0.0 16.6 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 20.1]
605-> [ARG A 134] PHI 45.0 -45.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 7.8]
627-> [PHE A 140] CHI2 25.0 -25.0 0.0 0.0 9.8 0.0 0.0 0.0 0.0 14.7 0.0 12.4 0.0 18.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 11.3 - 5 [ 0.0 .. 18.7]
643-> [GLU A 145] CHI1 -135.0 95.0 0.0 0.0 0.0 34.9 0.0 41.9 0.0 0.0 41.6 0.0 0.0 44.9 0.0 42.5 0.0 0.0 0.0 0.0 43.1 0.0 - 6 [ 0.0 .. 44.9]
---- ACOSummary Of Residual ACO Constraint Violations ----
Mod 1 Mod 2 Mod 3 Mod 4 Mod 5 Mod 6 Mod 7 Mod 8 Mod 9 Mod 10 Mod 11 Mod 12 Mod 13 Mod 14 Mod 15 Mod 16 Mod 17 Mod 18 Mod 19 Mod 20 Averages
~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~~~~~~
1 - 10. degrees : 17 23 18 15 27 20 11 17 22 13 18 20 21 20 16 15 18 21 18 9 17.95
> 10. degrees : 27 23 24 33 18 17 15 19 29 23 25 17 20 14 13 20 17 20 20 24 20.90
Total : 46 49 49 51 48 38 32 40 53 43 45 42 44 37 30 38 41 46 43 36 42.55
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 : 96.1 108.2 111.5 106.6 106.2 103.7 95.1 95.0 110.1 104.7 106.1 107.6 95.2 104.2 95.7 107.9 98.7 108.8 105.5 110.8 111.49
Max PHI Viol : 30.7 25.9 26.4 33.7 50.4 10.0 24.0 22.9 49.4 22.9 31.4 42.9 22.6 54.8 24.0 44.1 29.0 30.9 34.2 33.2 54.79
Max PSI Viol : 53.2 55.4 65.2 53.7 65.8 39.3 37.7 37.6 43.0 44.5 29.6 29.8 33.9 29.0 27.5 66.7 57.6 40.0 58.8 35.0 66.68
Max CHI1 Viol : 96.1 108.2 111.5 106.6 106.2 103.7 95.1 95.0 110.1 104.7 106.1 107.6 95.2 104.2 95.7 107.9 98.7 108.8 105.5 96.5 111.49
Max CHI2 Viol : 10.9 0.0 9.8 0.0 0.0 0.0 5.3 14.7 18.1 13.2 0.0 18.7 17.4 19.3 0.0 0.0 15.1 3.3 0.0 110.8 110.79
Average Violation : 1.4 1.3 1.5 1.4 1.3 1.0 0.8 0.9 1.6 1.1 1.2 0.9 1.1 0.9 0.7 1.1 0.9 1.1 1.1 1.1 1.121
Avge PHI Viol : 0.903 0.878 0.811 1.154 1.021 0.513 0.684 0.773 1.172 0.811 0.987 0.804 0.850 0.957 0.690 1.024 0.701 0.871 0.871 0.937 0.884
Avge PSI Viol : 1.568 1.322 1.670 1.497 1.595 1.248 1.071 1.277 1.447 1.200 1.251 1.157 1.221 0.926 1.084 1.440 1.146 1.380 1.426 1.195 1.320
Avge CHI1 Viol : 1.271 1.466 1.383 1.204 1.074 1.316 1.029 0.886 1.423 1.334 1.339 1.119 1.206 1.145 0.933 1.002 1.175 1.144 1.086 0.973 1.187
Avge CHI2 Viol : 0.351 0.000 0.331 0.000 0.000 0.000 0.264 0.482 0.451 0.536 0.000 0.459 0.442 0.465 0.000 0.000 0.561 0.192 0.000 1.171 0.411
RMS Violation : 7.697 8.476 9.141 7.707 7.895 7.143 5.818 5.586 8.516 7.838 7.723 6.730 6.903 6.783 5.280 7.413 6.836 7.230 7.246 7.248 7.321
RMS PHI Viol : 3.531 3.477 3.427 5.347 5.319 1.194 2.708 2.870 5.473 3.145 4.245 3.753 3.212 5.185 2.582 5.076 3.126 3.649 3.985 4.204 3.927
RMS PSI Viol : 7.848 6.082 9.803 7.014 9.412 5.395 5.000 5.624 7.358 5.689 5.042 5.061 5.293 3.725 4.674 8.160 5.719 6.284 7.726 5.263 6.502
RMS CHI1 Viol : 11.314 13.707 13.386 11.121 10.138 11.742 9.001 8.098 12.595 12.607 12.355 10.440 10.877 10.409 8.080 9.939 10.576 11.079 10.272 8.293 10.920
RMS CHI2 Viol : 1.160 0.000 1.034 0.000 0.000 0.000 0.571 1.680 1.917 1.920 0.000 1.985 1.847 2.043 0.000 0.000 2.106 0.348 0.000 11.804 2.901
Final --global-- Summary for 20 models, 656 ACOs/model, 13120 ACOs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ. Viol. : 14707.14
Summ. Sq. Viol. : 703155.88
Max. Viol. : 111.488
Avg. Viol. : 1.12097
RMS Viol. : 7.32081
Std. Dev. Viol. : 7.23447
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 0.324 0.605 0.368 0.267
GLY A 2 0.326 0.325
GLU A 3 0.515 0.776 0.493 0.794 0.842
THR A 4 0.895 0.963 0.864 4
VAL A 5 0.959 0.996 1.000 5 5
VAL A 6 0.948 0.972 0.779 6 6
ARG A 7 0.939 0.970 0.596 0.945 0.441 0.904 1.000 7 7
ASP A 8 0.976 0.986 0.879 0.905 8 8
ALA A 9 0.962 0.998 9 9
VAL A 10 0.991 0.981 0.619 10 10
THR A 11 0.987 0.998 0.799 11 11
ILE A 12 0.995 0.998 0.999 0.847 12 12
GLY A 13 0.998 0.946 13 13
LYS A 14 0.951 0.993 0.996 0.594 0.827 0.818 14 14
PRO A 15 0.998 0.998 0.983 0.970 15 15
ALA A 16 0.989 0.988 16 16
GLU A 17 0.988 0.984 0.584 0.847 0.964 17 17
GLN A 18 0.972 0.976 0.999 0.663 0.898 18 18
LEU A 19 0.980 0.958 0.999 0.998 19 19
TYR A 20 0.971 0.952 0.358 0.880 20 20
ALA A 21 0.976 0.876 21
VAL A 22 0.946 0.978 0.520 22 22
TRP A 23 0.957 0.972 0.708 0.350 23 23
ARG A 24 0.969 0.235 0.861 0.606 0.713 0.537 1.000
ASP A 25 0.115 0.551 0.394 0.937
LEU A 26 0.414 0.778 0.602 0.607
PRO A 27 0.983 0.469 0.903 0.845
GLY A 28 0.172 0.530
LEU A 29 0.557 0.807 0.735 0.758
PRO A 30 0.996 0.763 0.998 1.000
LEU A 31 0.278 0.759 0.849 0.864
LEU A 32 0.392 0.556 0.856 0.721
MET A 33 0.272 0.158 0.599 0.717 0.264
THR A 34 0.572 0.153 0.563
HIS A 35 0.389 0.083 0.424 0.279
LEU A 36 0.567 0.364 0.531 0.580
ARG A 37 0.216 0.342 0.440 0.808 0.496 0.829 1.000
SER A 38 0.384 0.205 0.047
VAL A 39 0.725 0.278 0.542
GLU A 40 0.547 0.350 0.874 0.497 0.937
VAL A 41 0.868 0.776 0.794
LEU A 42 0.789 0.965 0.467 0.571
ASP A 43 0.379 0.214 0.404 0.890
ASP A 44 0.629 0.812 0.217 0.935
LYS A 45 0.944 0.750 0.706 0.564 0.925 0.589
ARG A 46 0.505 0.927 0.724 0.811 0.053 0.536 1.000
SER A 47 0.472 0.374 0.134
ARG A 48 0.284 0.277 0.252 0.653 0.525 0.725 1.000
TRP A 49 0.230 0.144 0.422 0.237
THR A 50 0.332 0.162 0.494
VAL A 51 0.291 0.410 0.452
GLU A 52 0.612 0.514 0.751 0.732 0.910
ALA A 53 0.440 0.803
PRO A 54 0.990 0.895 0.934 0.889 54
ALA A 55 0.278 0.822
PRO A 56 0.988 0.979 0.900 0.824 56 56
LEU A 57 0.965 0.921 0.340 0.700 57 57
GLY A 58 0.138 0.290
ALA A 59 0.268 0.640
VAL A 60 0.699 0.190 0.533
SER A 61 0.325 0.252 0.159
TRP A 62 0.598 0.298 0.111 0.233
GLU A 63 0.791 0.966 0.212 0.136 0.713
ALA A 64 0.890 0.893 64
GLU A 65 0.899 0.950 0.930 0.823 0.774 65
LEU A 66 0.956 0.966 0.606 0.655 66 66
THR A 67 0.951 0.976 0.479 67 67
ALA A 68 0.968 0.987 68 68
ASP A 69 0.974 0.875 0.506 0.976 69
GLU A 70 0.887 0.918 0.848 0.409 0.716 70
PRO A 71 0.990 0.415 0.908 0.833
GLY A 72 0.193 0.939
LYS A 73 0.957 0.973 0.595 0.934 1.000 1.000 73 73
ARG A 74 0.985 0.979 0.503 0.995 0.482 0.547 1.000 74 74
ILE A 75 0.981 0.984 0.727 0.782 75 75
ALA A 76 0.956 0.982 76 76
TRP A 77 0.919 0.893 0.073 0.310 77
ARG A 78 0.970 0.945 0.176 0.571 0.500 0.657 1.000 78 78
SER A 79 0.880 0.453 0.164
LEU A 80 0.560 0.984 0.869 0.792
PRO A 81 0.994 0.991 0.937 0.887 81 81
GLY A 82 0.972 0.919 82 82
ALA A 83 0.889 0.507
ARG A 84 0.664 0.319 0.569 0.806 0.861 0.889 1.000
ILE A 85 0.687 0.389 0.586 0.777
GLU A 86 0.472 0.255 0.655 0.695 0.885
ASN A 87 0.888 0.874 0.649 0.443 87
SER A 88 0.862 0.940 0.113 88
GLY A 89 0.826 0.707
GLU A 90 0.935 0.971 0.472 0.995 0.917 90 90
VAL A 91 0.986 0.997 0.920 91 91
LEU A 92 0.994 0.993 0.459 0.591 92 92
PHE A 93 0.994 0.981 0.996 0.868 93 93
ARG A 94 0.956 0.970 0.576 0.929 0.674 0.943 1.000 94 94
PRO A 95 0.994 0.991 0.920 0.844 95 95
ALA A 96 0.995 0.983 96 96
PRO A 97 0.995 0.985 0.950 0.912 97 97
GLY A 98 0.898 0.581
ALA A 99 0.317 0.984
ARG A 100 0.967 0.897 0.775 0.858 0.505 0.827 1.000 100
GLY A 101 0.814 0.972 101
THR A 102 0.991 0.997 1.000 102 102
GLU A 103 0.989 0.993 0.865 0.998 0.776 103 103
VAL A 104 0.992 0.995 1.000 104 104
VAL A 105 0.995 0.997 1.000 105 105
VAL A 106 0.994 0.990 1.000 106 106
ARG A 107 0.972 0.965 0.601 0.995 0.529 0.574 1.000 107 107
LEU A 108 0.976 0.972 0.278 0.659 108 108
THR A 109 0.914 0.986 1.000 109 109
TYR A 110 0.908 0.870 0.130 0.788 110
ARG A 111 0.880 0.955 0.440 0.874 0.657 0.732 1.000 111
PRO A 112 0.988 0.965 0.898 0.820 112 112
PRO A 113 0.988 0.181 0.905 0.838
GLY A 114 0.295 0.155
GLY A 115 0.153 0.285
SER A 116 0.976 0.980 0.493 116 116
ALA A 117 0.997 0.994 117 117
GLY A 118 0.997 0.990 118 118
ALA A 119 0.995 0.993 119 119
VAL A 120 0.998 0.999 1.000 120 120
ILE A 121 0.995 0.986 0.649 0.878 121 121
ALA A 122 0.996 0.997 122 122
ARG A 123 0.979 0.986 0.671 0.999 0.868 0.883 1.000 123 123
MET A 124 0.997 0.984 0.714 0.655 0.209 124 124
PHE A 125 0.442 0.107 0.484 0.832
ASN A 126 0.369 0.145 0.638 0.871
GLN A 127 0.416 0.177 0.482 0.711 0.909
GLU A 128 0.227 0.865 0.511 0.559 0.884
PRO A 129 0.982 0.305 0.896 0.835
SER A 130 0.344 0.317 0.212
GLN A 131 0.358 0.099 0.857 0.459 0.860
GLN A 132 0.293 0.372 0.583 0.404 0.626
LEU A 133 0.526 0.588 0.698 0.886
ARG A 134 0.490 0.611 0.255 0.741 0.708 0.623 1.000
ASP A 135 0.990 0.984 0.736 0.882 135 135
ASP A 136 0.982 0.985 0.955 0.944 136 136
LEU A 137 0.987 0.974 0.664 0.547 137 137
MET A 138 0.994 0.985 0.671 0.304 0.270 138 138
ARG A 139 0.984 0.994 0.512 0.929 0.791 0.723 1.000 139 139
PHE A 140 0.986 0.991 0.578 0.735 140 140
LYS A 141 0.995 0.987 0.880 0.907 0.996 0.552 141 141
ARG A 142 0.979 0.973 0.672 0.999 0.638 0.711 1.000 142 142
GLU A 143 0.988 0.985 0.998 0.772 0.953 143 143
GLN A 144 0.985 0.985 0.705 0.350 0.725 144 144
GLU A 145 0.971 0.957 0.218 0.921 0.842 145 145
LEU A 146 0.975 0.972 0.924 0.933 146 146
GLY A 147 0.232 0.227
LEU A 148 0.415 0.345 0.603 0.644
GLU A 149 0.366 0.155 0.493 0.661 0.887
HIS A 150 0.426 0.462 0.421 0.548
HIS A 151 0.563 0.531 0.519 0.225
HIS A 152 0.679 0.378 0.403 0.409
HIS A 153 0.427 0.356 0.328 0.313
HIS A 154 0.447 0.095 0.550 0.665
HIS A 155 0.876 0.528 0.273
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 `DRR147D_R3_em_bcr3.pdb'
>
> Kabsch RMSD of backbone atoms in res. A[5..20],A[22..23],A[56..57],A[66..68],A[73..76],A[81..82],A[90..97],A[102..109],A[116..124],A[135..146],for model 1 is: 3.196
> Kabsch RMSD of backbone atoms in res. A[5..20],A[22..23],A[56..57],A[66..68],A[73..76],A[81..82],A[90..97],A[102..109],A[116..124],A[135..146],for model 2 is: 5.273
> Kabsch RMSD of backbone atoms in res. A[5..20],A[22..23],A[56..57],A[66..68],A[73..76],A[81..82],A[90..97],A[102..109],A[116..124],A[135..146],for model 3 is: 6.192
> Kabsch RMSD of backbone atoms in res. A[5..20],A[22..23],A[56..57],A[66..68],A[73..76],A[81..82],A[90..97],A[102..109],A[116..124],A[135..146],for model 4 is: 2.648
> Kabsch RMSD of backbone atoms in res. A[5..20],A[22..23],A[56..57],A[66..68],A[73..76],A[81..82],A[90..97],A[102..109],A[116..124],A[135..146],for model 5 is: 4.089
> Kabsch RMSD of backbone atoms in res. A[5..20],A[22..23],A[56..57],A[66..68],A[73..76],A[81..82],A[90..97],A[102..109],A[116..124],A[135..146],for model 6 is: 2.519
> Kabsch RMSD of backbone atoms in res. A[5..20],A[22..23],A[56..57],A[66..68],A[73..76],A[81..82],A[90..97],A[102..109],A[116..124],A[135..146],for model 7 is: 3.139
> Kabsch RMSD of backbone atoms in res. A[5..20],A[22..23],A[56..57],A[66..68],A[73..76],A[81..82],A[90..97],A[102..109],A[116..124],A[135..146],for model 8 is: 4.385
> Kabsch RMSD of backbone atoms in res. A[5..20],A[22..23],A[56..57],A[66..68],A[73..76],A[81..82],A[90..97],A[102..109],A[116..124],A[135..146],for model 9 is: 4.172
> Kabsch RMSD of backbone atoms in res. A[5..20],A[22..23],A[56..57],A[66..68],A[73..76],A[81..82],A[90..97],A[102..109],A[116..124],A[135..146],for model 10 is: 4.383
> Kabsch RMSD of backbone atoms in res. A[5..20],A[22..23],A[56..57],A[66..68],A[73..76],A[81..82],A[90..97],A[102..109],A[116..124],A[135..146],for model 11 is: 3.436
> Kabsch RMSD of backbone atoms in res. A[5..20],A[22..23],A[56..57],A[66..68],A[73..76],A[81..82],A[90..97],A[102..109],A[116..124],A[135..146],for model 12 is: 4.061
> Kabsch RMSD of backbone atoms in res. A[5..20],A[22..23],A[56..57],A[66..68],A[73..76],A[81..82],A[90..97],A[102..109],A[116..124],A[135..146],for model 13 is: 2.867
> Kabsch RMSD of backbone atoms in res. A[5..20],A[22..23],A[56..57],A[66..68],A[73..76],A[81..82],A[90..97],A[102..109],A[116..124],A[135..146],for model 14 is: 4.060
> Kabsch RMSD of backbone atoms in res. A[5..20],A[22..23],A[56..57],A[66..68],A[73..76],A[81..82],A[90..97],A[102..109],A[116..124],A[135..146],for model 15 is: 3.074
> Kabsch RMSD of backbone atoms in res. A[5..20],A[22..23],A[56..57],A[66..68],A[73..76],A[81..82],A[90..97],A[102..109],A[116..124],A[135..146],for model 16 is: 4.614
> Kabsch RMSD of backbone atoms in res. A[5..20],A[22..23],A[56..57],A[66..68],A[73..76],A[81..82],A[90..97],A[102..109],A[116..124],A[135..146],for model 17 is: 2.271
> Kabsch RMSD of backbone atoms in res. A[5..20],A[22..23],A[56..57],A[66..68],A[73..76],A[81..82],A[90..97],A[102..109],A[116..124],A[135..146],for model 18 is: 4.400
> Kabsch RMSD of backbone atoms in res. A[5..20],A[22..23],A[56..57],A[66..68],A[73..76],A[81..82],A[90..97],A[102..109],A[116..124],A[135..146],for model 19 is: 3.018
> Kabsch RMSD of backbone atoms in res. A[5..20],A[22..23],A[56..57],A[66..68],A[73..76],A[81..82],A[90..97],A[102..109],A[116..124],A[135..146],for model 20 is: 1.656 (*)
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[5..20],[22..23],[56..57],[66..68],[73..76],[81..82],[90..97],[102..109],[116..124],[135..146], is: 3.673
> Range of RMSD values to reference struct. is 1.656 to 6.192
> Kabsch RMSD of heavy atoms in res. A[5..20],A[22..23],A[56..57],A[66..68],A[73..76],A[81..82],A[90..97],A[102..109],A[116..124],A[135..146],for model 1 is: 3.432
> Kabsch RMSD of heavy atoms in res. A[5..20],A[22..23],A[56..57],A[66..68],A[73..76],A[81..82],A[90..97],A[102..109],A[116..124],A[135..146],for model 2 is: 5.247
> Kabsch RMSD of heavy atoms in res. A[5..20],A[22..23],A[56..57],A[66..68],A[73..76],A[81..82],A[90..97],A[102..109],A[116..124],A[135..146],for model 3 is: 6.187
> Kabsch RMSD of heavy atoms in res. A[5..20],A[22..23],A[56..57],A[66..68],A[73..76],A[81..82],A[90..97],A[102..109],A[116..124],A[135..146],for model 4 is: 2.888
> Kabsch RMSD of heavy atoms in res. A[5..20],A[22..23],A[56..57],A[66..68],A[73..76],A[81..82],A[90..97],A[102..109],A[116..124],A[135..146],for model 5 is: 4.575
> Kabsch RMSD of heavy atoms in res. A[5..20],A[22..23],A[56..57],A[66..68],A[73..76],A[81..82],A[90..97],A[102..109],A[116..124],A[135..146],for model 6 is: 2.785
> Kabsch RMSD of heavy atoms in res. A[5..20],A[22..23],A[56..57],A[66..68],A[73..76],A[81..82],A[90..97],A[102..109],A[116..124],A[135..146],for model 7 is: 3.460
> Kabsch RMSD of heavy atoms in res. A[5..20],A[22..23],A[56..57],A[66..68],A[73..76],A[81..82],A[90..97],A[102..109],A[116..124],A[135..146],for model 8 is: 4.394
> Kabsch RMSD of heavy atoms in res. A[5..20],A[22..23],A[56..57],A[66..68],A[73..76],A[81..82],A[90..97],A[102..109],A[116..124],A[135..146],for model 9 is: 4.444
> Kabsch RMSD of heavy atoms in res. A[5..20],A[22..23],A[56..57],A[66..68],A[73..76],A[81..82],A[90..97],A[102..109],A[116..124],A[135..146],for model 10 is: 4.502
> Kabsch RMSD of heavy atoms in res. A[5..20],A[22..23],A[56..57],A[66..68],A[73..76],A[81..82],A[90..97],A[102..109],A[116..124],A[135..146],for model 11 is: 3.582
> Kabsch RMSD of heavy atoms in res. A[5..20],A[22..23],A[56..57],A[66..68],A[73..76],A[81..82],A[90..97],A[102..109],A[116..124],A[135..146],for model 12 is: 4.247
> Kabsch RMSD of heavy atoms in res. A[5..20],A[22..23],A[56..57],A[66..68],A[73..76],A[81..82],A[90..97],A[102..109],A[116..124],A[135..146],for model 13 is: 3.337
> Kabsch RMSD of heavy atoms in res. A[5..20],A[22..23],A[56..57],A[66..68],A[73..76],A[81..82],A[90..97],A[102..109],A[116..124],A[135..146],for model 14 is: 4.154
> Kabsch RMSD of heavy atoms in res. A[5..20],A[22..23],A[56..57],A[66..68],A[73..76],A[81..82],A[90..97],A[102..109],A[116..124],A[135..146],for model 15 is: 3.372
> Kabsch RMSD of heavy atoms in res. A[5..20],A[22..23],A[56..57],A[66..68],A[73..76],A[81..82],A[90..97],A[102..109],A[116..124],A[135..146],for model 16 is: 4.743
> Kabsch RMSD of heavy atoms in res. A[5..20],A[22..23],A[56..57],A[66..68],A[73..76],A[81..82],A[90..97],A[102..109],A[116..124],A[135..146],for model 17 is: 2.805
> Kabsch RMSD of heavy atoms in res. A[5..20],A[22..23],A[56..57],A[66..68],A[73..76],A[81..82],A[90..97],A[102..109],A[116..124],A[135..146],for model 18 is: 4.677
> Kabsch RMSD of heavy atoms in res. A[5..20],A[22..23],A[56..57],A[66..68],A[73..76],A[81..82],A[90..97],A[102..109],A[116..124],A[135..146],for model 19 is: 3.389
> Kabsch RMSD of heavy atoms in res. A[5..20],A[22..23],A[56..57],A[66..68],A[73..76],A[81..82],A[90..97],A[102..109],A[116..124],A[135..146],for model 20 is: 2.225 (*)
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[5..20],[22..23],[56..57],[66..68],[73..76],[81..82],[90..97],[102..109],[116..124],[135..146], is: 3.922
> Range of RMSD values to reference struct. is 2.225 to 6.187
Text report of backbone RMSD for entire protein
> Kabsch RMSD of backb atoms in res. *[1..155],for model 1 is: 5.620
> Kabsch RMSD of backb atoms in res. *[1..155],for model 2 is: 6.970
> Kabsch RMSD of backb atoms in res. *[1..155],for model 3 is: 6.543
> Kabsch RMSD of backb atoms in res. *[1..155],for model 4 is: 4.927
> Kabsch RMSD of backb atoms in res. *[1..155],for model 5 is: 5.374
> Kabsch RMSD of backb atoms in res. *[1..155],for model 6 is: 4.602
> Kabsch RMSD of backb atoms in res. *[1..155],for model 7 is: 5.110
> Kabsch RMSD of backb atoms in res. *[1..155],for model 8 is: 6.602
> Kabsch RMSD of backb atoms in res. *[1..155],for model 9 is: 6.069
> Kabsch RMSD of backb atoms in res. *[1..155],for model 10 is: 6.754
> Kabsch RMSD of backb atoms in res. *[1..155],for model 11 is: 5.847
> Kabsch RMSD of backb atoms in res. *[1..155],for model 12 is: 5.307
> Kabsch RMSD of backb atoms in res. *[1..155],for model 13 is: 4.836
> Kabsch RMSD of backb atoms in res. *[1..155],for model 14 is: 6.577
> Kabsch RMSD of backb atoms in res. *[1..155],for model 15 is: 5.298
> Kabsch RMSD of backb atoms in res. *[1..155],for model 16 is: 5.699
> Kabsch RMSD of backb atoms in res. *[1..155],for model 17 is: 4.371
> Kabsch RMSD of backb atoms in res. *[1..155],for model 18 is: 5.769
> Kabsch RMSD of backb atoms in res. *[1..155],for model 19 is: 5.013
> Kabsch RMSD of backb atoms in res. *[1..155],for model 20 is: 3.843 (*)
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..155], is: 5.556
> Range of RMSD values to reference struct. is 3.843 to 6.970
Text report of heavy atom RMSD for entire protein
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 1 is: 6.261
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 2 is: 7.470
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 3 is: 6.838
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 4 is: 5.550
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 5 is: 5.963
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 6 is: 5.276
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 7 is: 5.992
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 8 is: 7.212
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 9 is: 6.688
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 10 is: 7.461
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 11 is: 6.471
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 12 is: 5.891
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 13 is: 5.688
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 14 is: 7.211
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 15 is: 5.712
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 16 is: 6.281
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 17 is: 5.063
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 18 is: 6.533
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 19 is: 5.759
> Kabsch RMSD of heavy atoms in res. *[1..155],for model 20 is: 4.793 (*)
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..155], is: 6.206
> Range of RMSD values to reference struct. is 4.793 to 7.470
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 5.6 3.3 3.4
All heavy atoms 6.2 3.7 3.7
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 >>>----------+
| |
| DRR147D_R3_em_bcr3_020.rin 0.0 1520 residues |
| |
+| Ramachandran plot: 90.3% core 7.7% allow 2.0% gener 0.0% disall |
| |
+| All Ramachandrans: 32 labelled residues (out of1520) |
+| Chi1-chi2 plots: 4 labelled residues (out of 880) |
JPEG image for all model Ramachandran Plot
Residue Properties for all models
JPEG for all model Residue Properties - page $num_n
JPEG for all model Residue Properties - page $num_n
Model Secondary Structures from Procheck
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
Ramachandran Plots for each residue
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
Ramachandran analysis for each residue from Molprobity
Chi1-Chi2 Plots for each residue
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
Procheck G-factors for phi-psi for each residue
JPEG image for residue phi-psi G-factors
Table of Procheck G-factors for phi-psi for ordered residues
#phipsi_gfactor
#Residue\Model average
4 -0.44
5 0.04
6 -0.28
7 -1.19
8 -0.91
9 -0.67
10 -0.08
11 0.07
12 0.10
13 -2.05
14 -0.39
15 -1.85
16 -3.46
17 0.41
18 -0.41
19 -0.83
20 -0.63
21 -0.57
22 -1.07
23 0.11
64 -1.11
65 -1.00
66 -0.36
67 -0.58
68 -0.91
69 -1.32
70 -1.27
73 -2.96
74 -1.35
75 -0.17
76 -0.91
77 -0.49
78 -1.16
90 -0.91
91 0.23
92 -0.09
93 -0.38
94 -0.39
95 0.09
96 -0.54
97 -0.13
100 -0.82
101 -1.54
102 0.38
103 -0.77
104 -0.20
105 -0.14
106 0.09
107 -1.13
108 -0.75
109 -0.09
110 -0.48
111 -0.71
112 0.01
116 0.62
117 0.79
118 0.85
119 0.80
120 0.91
121 0.53
122 0.78
123 0.19
124 0.52
135 0.72
136 0.64
137 0.20
138 0.57
139 0.66
140 0.91
141 0.64
142 0.33
143 0.53
144 0.33
145 0.19
146 -0.62
#Reported_Model_Average -0.332
#Overall_Average_Reported -0.332
Procheck G-factors for all dihedral angles for each residue
JPEG image for residue all dihedral G-factors
Table of Procheck G-factors for all dihedrals for ordered residues
#alldih_gfactor
#Residue\Model average
4 0.04
5 0.37
6 0.12
7 -0.32
8 -0.94
9 -0.67
10 -0.14
11 0.37
12 0.43
13 -2.05
14 0.16
15 -1.85
16 -3.46
17 0.67
18 0.26
19 0.03
20 -0.33
21 -0.57
22 -0.80
23 0.11
64 -1.11
65 -0.22
66 -0.01
67 -0.10
68 -0.91
69 -0.55
70 -0.31
73 -0.99
74 -0.57
75 0.15
76 -0.91
77 -0.48
78 -0.46
90 -0.28
91 0.41
92 0.15
93 -0.08
94 -0.11
95 0.09
96 -0.54
97 -0.13
100 0.01
101 -1.54
102 0.52
103 0.00
104 0.24
105 0.18
106 0.38
107 -0.21
108 -0.35
109 0.09
110 -0.32
111 -0.01
112 0.01
116 0.61
117 0.79
118 0.85
119 0.80
120 0.80
121 0.54
122 0.78
123 0.58
124 0.61
135 0.76
136 0.80
137 0.36
138 0.51
139 0.71
140 0.46
141 0.59
142 0.66
143 0.79
144 0.47
145 0.44
146 0.12
#Reported_Model_Average -0.047
#Overall_Average_Reported -0.047
Output from Verify3D
Verify3D Score over a window of $winsize_s residues
JPEG image for Verify3D Score
Table of Verify3D scores for ordered residues across all models
#verify3d
#Residue\Model 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
4 0.79 -0.17 0.79 0.79 0.95 0.79 0.79 0.79 0.95 0.79 0.95 0.79 0.95 0.79 0.95 0.79 0.95 0.79 0.95 0.79
5 0.08 0.08 0.08 0.44 0.08 0.08 0.08 0.08 0.71 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.44 0.08 0.08 0.08
6 1.18 0.08 0.71 1.18 1.18 0.44 0.71 0.71 0.08 1.18 1.18 0.44 1.18 0.71 1.18 0.71 0.71 1.18 0.44 0.16
7 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.84 0.19
8 -0.03 -0.61 -0.03 -0.03 -0.03 -0.61 -0.61 -0.61 -0.61 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.61 -0.61
9 -0.52 -0.52 -0.52 -0.52 0.59 -0.52 0.59 -0.52 -0.52 -0.52 -0.52 0.59 0.59 -0.52 -0.52 -0.52 -0.52 -0.52 0.59 0.59
10 0.71 1.18 1.18 0.71 1.18 1.18 1.18 0.71 1.18 1.18 0.71 1.18 0.71 1.18 0.71 1.18 0.44 0.71 1.18 1.18
11 0.79 0.95 0.95 0.95 0.95 0.95 0.95 0.79 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.79 0.95 0.95 0.95 0.95
12 1.07 1.07 1.50 1.50 1.07 1.50 1.50 1.50 1.50 1.50 1.07 1.07 1.50 1.50 1.07 1.07 1.07 1.07 1.50 1.07
13 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
14 0.08 0.47 0.08 0.47 0.08 -2.12 0.08 0.08 -2.12 0.47 -2.12 0.08 0.47 -2.12 0.08 0.08 0.08 0.08 0.47 -2.12
15 0.25 0.25 0.64 0.25 0.25 0.44 0.44 -0.07 0.25 0.25 0.44 0.25 0.44 0.44 0.44 0.25 0.25 0.44 0.25 0.25
16 0.49 0.49 0.49 0.49 -0.25 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
17 0.28 0.04 0.28 0.28 0.04 0.28 0.28 0.04 0.04 0.28 0.28 0.28 0.28 0.28 -1.13 0.28 0.04 0.28 0.28 0.28
18 -0.57 0.25 -0.87 0.10 0.25 0.25 0.25 0.10 -0.57 0.25 -0.57 -0.57 -0.57 -0.57 -0.87 -0.57 -0.57 0.25 -0.03 0.25
19 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 0.77 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
20 1.14 0.52 1.25 1.14 1.14 1.14 1.14 1.14 0.52 1.14 1.14 1.14 1.14 1.14 1.14 0.52 1.14 0.52 0.52 1.14
21 0.49 0.49 0.49 0.49 -0.25 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 -0.25 0.49 0.49 0.49 0.49 -0.25 -0.25
22 0.66 -0.40 0.66 -0.40 -0.40 0.66 -0.09 1.00 1.00 0.66 -0.40 -0.74 0.66 -0.74 0.66 -0.40 0.66 -0.40 0.66 -0.74
23 1.12 1.62 1.12 1.62 1.62 0.96 1.62 1.62 1.62 0.96 1.12 1.12 1.12 1.12 1.62 1.62 1.12 1.62 0.96 1.12
63 -0.46 -0.46 -1.13 -0.46 -0.46 -2.01 -1.13 -1.13 0.28 0.28 -0.46 -0.46 -1.13 -1.13 -0.46 -1.13 0.28 -0.46 -1.13 -0.46
64 -0.25 -0.25 0.14 -0.25 -0.25 0.49 0.49 0.49 0.49 0.49 0.49 -0.25 0.49 0.49 0.49 0.49 0.49 -0.25 0.49 -0.25
65 -0.59 0.28 -0.46 -0.46 -0.59 0.28 0.28 -0.59 -0.59 -0.46 0.28 0.28 -0.59 0.28 -0.46 0.28 0.28 0.28 -0.46 0.28
66 0.29 0.77 0.29 0.77 0.77 0.29 0.29 0.77 0.29 0.29 0.29 0.29 0.77 0.29 1.06 0.29 0.77 0.77 0.29 0.77
67 0.08 0.08 0.08 0.08 0.55 0.08 0.55 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
68 0.59 -0.52 0.14 -0.52 -0.52 -0.52 0.14 -0.52 -0.52 -0.52 -0.52 -0.52 0.59 -0.52 -0.52 -0.52 0.59 -0.52 -0.52 -0.52
69 -0.61 -0.61 -0.61 -0.61 -0.61 -0.03 -0.61 -0.03 -0.03 -0.61 -0.03 -0.03 -0.03 -0.03 -0.61 -0.61 -0.03 -0.03 -0.61 -0.61
70 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 -0.68 0.41 -0.68 0.41 0.41 0.41 0.41 0.41 0.41 -0.68 -0.68
73 0.47 0.47 -0.10 -0.10 -0.10 0.47 0.47 0.47 0.47 -0.10 -0.10 0.47 -0.10 -0.10 0.47 0.47 0.47 0.47 0.47 -0.10
74 0.19 0.19 0.19 0.19 0.84 0.19 0.19 0.19 0.19 0.19 0.84 0.19 0.84 0.19 0.84 0.84 0.19 0.19 0.19 0.19
75 1.50 1.50 1.07 1.50 1.50 1.50 1.50 1.07 0.26 1.50 1.07 1.07 1.50 1.07 1.50 1.50 1.07 1.07 1.07 0.26
76 -0.52 0.59 0.14 -0.52 -0.52 -0.52 -0.52 -0.52 -0.52 -0.52 -0.52 -0.52 -0.52 -0.52 0.59 -0.52 0.59 -0.52 0.59 -0.52
77 1.62 1.62 1.12 1.12 1.12 1.12 0.96 1.62 1.12 1.12 1.62 0.96 1.62 1.62 1.12 1.12 0.96 1.12 1.12 1.12
78 0.71 0.24 -0.41 0.71 0.24 0.24 0.24 0.71 0.24 0.24 0.71 0.71 0.71 0.24 0.24 0.71 0.71 0.24 0.71 0.71
90 -0.42 -0.68 -0.42 -0.42 0.41 0.41 -0.42 -0.68 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 0.41 -0.42 0.41 0.41
91 1.18 1.18 0.44 0.71 1.18 1.18 1.18 1.18 0.71 1.18 0.44 1.18 0.44 1.18 1.18 0.44 1.18 1.18 0.71 0.44
92 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -0.81 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 0.14 -1.33 -1.33 -1.33 -1.33
93 0.96 0.96 0.96 0.96 1.32 1.32 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 1.32 0.96 0.96 0.96
94 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19
95 -1.01 -0.88 -1.01 -0.88 -0.88 -0.88 -0.88 -1.01 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88
96 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
97 0.25 0.25 0.25 0.25 0.44 0.25 0.25 0.44 0.44 0.44 0.25 0.44 0.25 0.44 0.25 0.25 0.44 0.44 0.25 0.44
100 0.24 0.71 0.24 -0.41 -0.41 0.24 0.24 0.24 0.24 0.24 0.71 -0.41 0.71 0.24 -0.41 0.24 0.24 -0.41 0.24 0.24
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 0.95 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
103 -0.42 -0.42 -0.42 -0.42 -0.20 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.20 -0.20 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42
104 1.18 1.18 1.18 1.18 0.71 1.18 1.18 1.18 1.18 1.18 0.71 0.71 1.18 1.18 1.18 0.71 0.71 1.18 1.18 1.18
105 0.08 0.08 0.08 0.08 0.71 0.08 0.44 0.16 0.08 0.08 0.44 0.44 0.08 0.16 0.16 0.44 0.16 0.08 0.44 0.16
106 1.18 1.18 1.18 1.18 0.44 1.18 0.44 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
107 0.84 0.19 0.19 0.19 0.19 0.84 0.84 0.19 0.84 0.19 0.84 0.19 0.19 0.19 0.19 0.84 0.84 0.19 0.19 0.19
108 0.36 1.07 0.36 0.14 0.36 0.36 0.14 0.14 0.14 0.36 -0.81 1.07 0.14 0.36 0.36 0.14 0.36 1.07 0.36 -0.81
109 0.95 0.95 0.95 0.79 0.79 0.95 0.95 0.79 0.79 0.79 0.95 0.95 0.79 0.95 0.79 0.95 0.95 0.95 0.79 0.95
110 -0.30 1.09 1.30 1.09 -0.30 1.09 1.09 1.09 1.09 1.09 1.09 1.30 1.09 1.09 1.09 1.09 1.09 0.17 -0.30 1.09
111 0.24 -0.41 -0.41 0.24 0.71 0.24 0.24 0.24 0.24 0.24 -0.41 0.24 0.24 0.24 0.24 0.24 0.24 0.71 0.24 0.24
112 0.44 0.25 0.64 0.64 0.44 0.64 0.64 0.44 0.44 0.44 0.44 0.44 0.64 0.64 -0.11 0.64 0.44 0.44 0.44 0.44
116 0.16 0.16 0.16 0.16 0.47 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16
117 0.44 -0.02 0.76 0.44 0.44 0.44 0.76 0.76 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.76 0.44 0.44
118 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
119 0.44 0.44 0.44 0.44 0.76 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.76 0.44 0.44 0.76 0.44 0.44 0.44 -0.02
120 -1.25 -0.62 -0.62 -0.62 -1.25 -0.62 -0.62 -0.62 -0.62 -1.25 -1.25 -0.62 -0.62 -0.62 -0.62 -1.25 -0.62 0.30 -0.62 -1.25
121 -0.59 0.55 0.55 -0.06 -0.59 -0.59 -0.02 -0.06 -0.02 -0.59 -0.06 -0.59 -0.59 -0.06 0.55 -0.59 -0.02 0.55 -0.59 -0.59
122 0.44 0.44 0.76 0.76 -0.02 0.44 0.44 0.44 0.44 -0.02 -0.02 0.44 0.76 0.44 -0.02 -0.02 0.44 0.76 0.44 0.44
123 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 1.10 -0.20 0.56 -0.20 -0.20 -0.20 -0.20 -0.20 0.56 0.56 1.10
124 -0.90 0.87 -0.27 -0.27 -0.27 -0.27 0.87 1.02 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 1.02 -0.27 -0.27
135 0.44 -0.28 0.29 0.44 0.29 0.29 -0.28 0.29 0.29 0.29 0.29 0.29 0.44 0.44 0.29 0.44 0.29 0.44 0.44 0.29
136 0.29 -0.28 -0.28 0.29 0.29 0.44 0.29 -0.28 0.29 -0.28 0.29 -0.28 -0.28 0.29 -0.28 0.29 0.29 0.29 0.44 0.29
137 1.30 1.30 1.30 0.71 1.30 1.30 1.30 1.30 0.16 1.30 1.30 1.30 1.30 0.16 1.30 0.71 1.30 1.30 1.30 0.71
138 -0.27 1.26 1.02 -0.27 -0.27 0.87 0.87 1.02 -0.27 -0.27 1.02 0.87 -0.27 0.87 -0.27 -0.27 0.87 -0.27 -0.27 -0.27
139 0.56 0.56 0.56 0.56 1.10 0.56 -0.20 1.10 -0.20 1.10 0.56 0.56 0.56 0.56 0.56 0.56 0.56 -0.20 -0.20 0.56
140 0.87 -0.22 1.28 0.87 -0.22 1.28 0.87 1.28 -0.22 0.87 0.87 0.87 -0.22 0.87 0.87 -0.22 0.87 0.87 0.87 -0.22
141 0.56 0.66 -0.50 0.66 0.66 0.56 0.56 0.66 0.56 0.56 0.56 0.56 -0.94 0.56 0.56 0.56 0.56 0.56 0.56 0.56
142 1.10 1.10 0.56 -0.20 -0.20 0.56 0.56 0.56 0.56 0.56 -0.20 1.10 0.56 0.56 0.56 0.56 -0.20 -0.20 -0.20 -0.20
143 0.09 0.62 0.62 0.62 -0.58 0.62 0.62 0.62 0.62 0.09 -0.43 0.62 0.62 0.62 0.62 0.09 0.62 -0.58 0.62 -0.43
144 -1.38 0.16 -1.38 -1.38 -1.38 0.16 -1.38 0.16 -1.38 -1.38 -1.38 -1.38 0.16 -0.32 -1.38 -1.38 -1.38 -1.38 -1.38 -1.38
145 -0.43 0.62 -0.43 0.62 -0.43 0.09 0.09 0.62 0.09 0.62 0.09 -0.43 0.62 0.62 -0.43 -0.43 -0.58 -0.43 -0.43 0.62
146 -0.46 -1.37 -0.46 -1.37 -1.37 -0.46 -0.46 -1.37 -0.46 -0.46 -1.37 -0.46 -0.46 -1.37 -0.46 -0.46 -0.46 -0.46 -1.37 -0.46
#Reported_Model_Average 0.300 0.354 0.312 0.306 0.259 0.362 0.389 0.392 0.257 0.335 0.256 0.328 0.374 0.296 0.318 0.289 0.399 0.344 0.287 0.200
#Overall_Average_Reported 0.318
Output from ProsaII
ProsaII Score over a window of $winsize_s residues
JPEG image for ProsaII Score
Table of Verify3D scores for ordered residues across all models
#verify3d
#Residue\Model 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
4 0.79 -0.17 0.79 0.79 0.95 0.79 0.79 0.79 0.95 0.79 0.95 0.79 0.95 0.79 0.95 0.79 0.95 0.79 0.95 0.79
5 0.08 0.08 0.08 0.44 0.08 0.08 0.08 0.08 0.71 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.44 0.08 0.08 0.08
6 1.18 0.08 0.71 1.18 1.18 0.44 0.71 0.71 0.08 1.18 1.18 0.44 1.18 0.71 1.18 0.71 0.71 1.18 0.44 0.16
7 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.84 0.19
8 -0.03 -0.61 -0.03 -0.03 -0.03 -0.61 -0.61 -0.61 -0.61 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.61 -0.61
9 -0.52 -0.52 -0.52 -0.52 0.59 -0.52 0.59 -0.52 -0.52 -0.52 -0.52 0.59 0.59 -0.52 -0.52 -0.52 -0.52 -0.52 0.59 0.59
10 0.71 1.18 1.18 0.71 1.18 1.18 1.18 0.71 1.18 1.18 0.71 1.18 0.71 1.18 0.71 1.18 0.44 0.71 1.18 1.18
11 0.79 0.95 0.95 0.95 0.95 0.95 0.95 0.79 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.79 0.95 0.95 0.95 0.95
12 1.07 1.07 1.50 1.50 1.07 1.50 1.50 1.50 1.50 1.50 1.07 1.07 1.50 1.50 1.07 1.07 1.07 1.07 1.50 1.07
13 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
14 0.08 0.47 0.08 0.47 0.08 -2.12 0.08 0.08 -2.12 0.47 -2.12 0.08 0.47 -2.12 0.08 0.08 0.08 0.08 0.47 -2.12
15 0.25 0.25 0.64 0.25 0.25 0.44 0.44 -0.07 0.25 0.25 0.44 0.25 0.44 0.44 0.44 0.25 0.25 0.44 0.25 0.25
16 0.49 0.49 0.49 0.49 -0.25 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
17 0.28 0.04 0.28 0.28 0.04 0.28 0.28 0.04 0.04 0.28 0.28 0.28 0.28 0.28 -1.13 0.28 0.04 0.28 0.28 0.28
18 -0.57 0.25 -0.87 0.10 0.25 0.25 0.25 0.10 -0.57 0.25 -0.57 -0.57 -0.57 -0.57 -0.87 -0.57 -0.57 0.25 -0.03 0.25
19 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 0.77 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
20 1.14 0.52 1.25 1.14 1.14 1.14 1.14 1.14 0.52 1.14 1.14 1.14 1.14 1.14 1.14 0.52 1.14 0.52 0.52 1.14
21 0.49 0.49 0.49 0.49 -0.25 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 -0.25 0.49 0.49 0.49 0.49 -0.25 -0.25
22 0.66 -0.40 0.66 -0.40 -0.40 0.66 -0.09 1.00 1.00 0.66 -0.40 -0.74 0.66 -0.74 0.66 -0.40 0.66 -0.40 0.66 -0.74
23 1.12 1.62 1.12 1.62 1.62 0.96 1.62 1.62 1.62 0.96 1.12 1.12 1.12 1.12 1.62 1.62 1.12 1.62 0.96 1.12
63 -0.46 -0.46 -1.13 -0.46 -0.46 -2.01 -1.13 -1.13 0.28 0.28 -0.46 -0.46 -1.13 -1.13 -0.46 -1.13 0.28 -0.46 -1.13 -0.46
64 -0.25 -0.25 0.14 -0.25 -0.25 0.49 0.49 0.49 0.49 0.49 0.49 -0.25 0.49 0.49 0.49 0.49 0.49 -0.25 0.49 -0.25
65 -0.59 0.28 -0.46 -0.46 -0.59 0.28 0.28 -0.59 -0.59 -0.46 0.28 0.28 -0.59 0.28 -0.46 0.28 0.28 0.28 -0.46 0.28
66 0.29 0.77 0.29 0.77 0.77 0.29 0.29 0.77 0.29 0.29 0.29 0.29 0.77 0.29 1.06 0.29 0.77 0.77 0.29 0.77
67 0.08 0.08 0.08 0.08 0.55 0.08 0.55 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
68 0.59 -0.52 0.14 -0.52 -0.52 -0.52 0.14 -0.52 -0.52 -0.52 -0.52 -0.52 0.59 -0.52 -0.52 -0.52 0.59 -0.52 -0.52 -0.52
69 -0.61 -0.61 -0.61 -0.61 -0.61 -0.03 -0.61 -0.03 -0.03 -0.61 -0.03 -0.03 -0.03 -0.03 -0.61 -0.61 -0.03 -0.03 -0.61 -0.61
70 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 -0.68 0.41 -0.68 0.41 0.41 0.41 0.41 0.41 0.41 -0.68 -0.68
73 0.47 0.47 -0.10 -0.10 -0.10 0.47 0.47 0.47 0.47 -0.10 -0.10 0.47 -0.10 -0.10 0.47 0.47 0.47 0.47 0.47 -0.10
74 0.19 0.19 0.19 0.19 0.84 0.19 0.19 0.19 0.19 0.19 0.84 0.19 0.84 0.19 0.84 0.84 0.19 0.19 0.19 0.19
75 1.50 1.50 1.07 1.50 1.50 1.50 1.50 1.07 0.26 1.50 1.07 1.07 1.50 1.07 1.50 1.50 1.07 1.07 1.07 0.26
76 -0.52 0.59 0.14 -0.52 -0.52 -0.52 -0.52 -0.52 -0.52 -0.52 -0.52 -0.52 -0.52 -0.52 0.59 -0.52 0.59 -0.52 0.59 -0.52
77 1.62 1.62 1.12 1.12 1.12 1.12 0.96 1.62 1.12 1.12 1.62 0.96 1.62 1.62 1.12 1.12 0.96 1.12 1.12 1.12
78 0.71 0.24 -0.41 0.71 0.24 0.24 0.24 0.71 0.24 0.24 0.71 0.71 0.71 0.24 0.24 0.71 0.71 0.24 0.71 0.71
90 -0.42 -0.68 -0.42 -0.42 0.41 0.41 -0.42 -0.68 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 0.41 -0.42 0.41 0.41
91 1.18 1.18 0.44 0.71 1.18 1.18 1.18 1.18 0.71 1.18 0.44 1.18 0.44 1.18 1.18 0.44 1.18 1.18 0.71 0.44
92 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -0.81 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 -1.33 0.14 -1.33 -1.33 -1.33 -1.33
93 0.96 0.96 0.96 0.96 1.32 1.32 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 0.96 1.32 0.96 0.96 0.96
94 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19 0.19
95 -1.01 -0.88 -1.01 -0.88 -0.88 -0.88 -0.88 -1.01 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88
96 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
97 0.25 0.25 0.25 0.25 0.44 0.25 0.25 0.44 0.44 0.44 0.25 0.44 0.25 0.44 0.25 0.25 0.44 0.44 0.25 0.44
100 0.24 0.71 0.24 -0.41 -0.41 0.24 0.24 0.24 0.24 0.24 0.71 -0.41 0.71 0.24 -0.41 0.24 0.24 -0.41 0.24 0.24
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 0.95 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
103 -0.42 -0.42 -0.42 -0.42 -0.20 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.20 -0.20 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42 -0.42
104 1.18 1.18 1.18 1.18 0.71 1.18 1.18 1.18 1.18 1.18 0.71 0.71 1.18 1.18 1.18 0.71 0.71 1.18 1.18 1.18
105 0.08 0.08 0.08 0.08 0.71 0.08 0.44 0.16 0.08 0.08 0.44 0.44 0.08 0.16 0.16 0.44 0.16 0.08 0.44 0.16
106 1.18 1.18 1.18 1.18 0.44 1.18 0.44 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
107 0.84 0.19 0.19 0.19 0.19 0.84 0.84 0.19 0.84 0.19 0.84 0.19 0.19 0.19 0.19 0.84 0.84 0.19 0.19 0.19
108 0.36 1.07 0.36 0.14 0.36 0.36 0.14 0.14 0.14 0.36 -0.81 1.07 0.14 0.36 0.36 0.14 0.36 1.07 0.36 -0.81
109 0.95 0.95 0.95 0.79 0.79 0.95 0.95 0.79 0.79 0.79 0.95 0.95 0.79 0.95 0.79 0.95 0.95 0.95 0.79 0.95
110 -0.30 1.09 1.30 1.09 -0.30 1.09 1.09 1.09 1.09 1.09 1.09 1.30 1.09 1.09 1.09 1.09 1.09 0.17 -0.30 1.09
111 0.24 -0.41 -0.41 0.24 0.71 0.24 0.24 0.24 0.24 0.24 -0.41 0.24 0.24 0.24 0.24 0.24 0.24 0.71 0.24 0.24
112 0.44 0.25 0.64 0.64 0.44 0.64 0.64 0.44 0.44 0.44 0.44 0.44 0.64 0.64 -0.11 0.64 0.44 0.44 0.44 0.44
116 0.16 0.16 0.16 0.16 0.47 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16
117 0.44 -0.02 0.76 0.44 0.44 0.44 0.76 0.76 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.76 0.44 0.44
118 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
119 0.44 0.44 0.44 0.44 0.76 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.76 0.44 0.44 0.76 0.44 0.44 0.44 -0.02
120 -1.25 -0.62 -0.62 -0.62 -1.25 -0.62 -0.62 -0.62 -0.62 -1.25 -1.25 -0.62 -0.62 -0.62 -0.62 -1.25 -0.62 0.30 -0.62 -1.25
121 -0.59 0.55 0.55 -0.06 -0.59 -0.59 -0.02 -0.06 -0.02 -0.59 -0.06 -0.59 -0.59 -0.06 0.55 -0.59 -0.02 0.55 -0.59 -0.59
122 0.44 0.44 0.76 0.76 -0.02 0.44 0.44 0.44 0.44 -0.02 -0.02 0.44 0.76 0.44 -0.02 -0.02 0.44 0.76 0.44 0.44
123 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 -0.20 1.10 -0.20 0.56 -0.20 -0.20 -0.20 -0.20 -0.20 0.56 0.56 1.10
124 -0.90 0.87 -0.27 -0.27 -0.27 -0.27 0.87 1.02 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 -0.27 1.02 -0.27 -0.27
135 0.44 -0.28 0.29 0.44 0.29 0.29 -0.28 0.29 0.29 0.29 0.29 0.29 0.44 0.44 0.29 0.44 0.29 0.44 0.44 0.29
136 0.29 -0.28 -0.28 0.29 0.29 0.44 0.29 -0.28 0.29 -0.28 0.29 -0.28 -0.28 0.29 -0.28 0.29 0.29 0.29 0.44 0.29
137 1.30 1.30 1.30 0.71 1.30 1.30 1.30 1.30 0.16 1.30 1.30 1.30 1.30 0.16 1.30 0.71 1.30 1.30 1.30 0.71
138 -0.27 1.26 1.02 -0.27 -0.27 0.87 0.87 1.02 -0.27 -0.27 1.02 0.87 -0.27 0.87 -0.27 -0.27 0.87 -0.27 -0.27 -0.27
139 0.56 0.56 0.56 0.56 1.10 0.56 -0.20 1.10 -0.20 1.10 0.56 0.56 0.56 0.56 0.56 0.56 0.56 -0.20 -0.20 0.56
140 0.87 -0.22 1.28 0.87 -0.22 1.28 0.87 1.28 -0.22 0.87 0.87 0.87 -0.22 0.87 0.87 -0.22 0.87 0.87 0.87 -0.22
141 0.56 0.66 -0.50 0.66 0.66 0.56 0.56 0.66 0.56 0.56 0.56 0.56 -0.94 0.56 0.56 0.56 0.56 0.56 0.56 0.56
142 1.10 1.10 0.56 -0.20 -0.20 0.56 0.56 0.56 0.56 0.56 -0.20 1.10 0.56 0.56 0.56 0.56 -0.20 -0.20 -0.20 -0.20
143 0.09 0.62 0.62 0.62 -0.58 0.62 0.62 0.62 0.62 0.09 -0.43 0.62 0.62 0.62 0.62 0.09 0.62 -0.58 0.62 -0.43
144 -1.38 0.16 -1.38 -1.38 -1.38 0.16 -1.38 0.16 -1.38 -1.38 -1.38 -1.38 0.16 -0.32 -1.38 -1.38 -1.38 -1.38 -1.38 -1.38
145 -0.43 0.62 -0.43 0.62 -0.43 0.09 0.09 0.62 0.09 0.62 0.09 -0.43 0.62 0.62 -0.43 -0.43 -0.58 -0.43 -0.43 0.62
146 -0.46 -1.37 -0.46 -1.37 -1.37 -0.46 -0.46 -1.37 -0.46 -0.46 -1.37 -0.46 -0.46 -1.37 -0.46 -0.46 -0.46 -0.46 -1.37 -0.46
#Reported_Model_Average 0.300 0.354 0.312 0.306 0.259 0.362 0.389 0.392 0.257 0.335 0.256 0.328 0.374 0.296 0.318 0.289 0.399 0.344 0.287 0.200
#Overall_Average_Reported 0.318
Output from MolProbity
VdW violations from MAGE
JPEG image for MAGE VdW violation
Table of MAGE VdW violations for ordered residues across all models
#mage_clash
#Residue\Model 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
4.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
5.000 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
6.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
7.000 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0
8.000 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0
9.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0
10.000 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0
11.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
12.000 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0
13.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
14.000 0 0 0 0 0 0 2 0 2 1 0 0 0 1 0 0 1 0 0 0
15.000 1 0 2 2 1 1 2 2 2 1 2 0 2 2 0 2 1 2 1 2
16.000 1 1 2 3 1 1 2 2 2 1 2 1 2 2 1 2 0 2 1 2
17.000 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
18.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
19.000 0 1 0 1 0 0 0 0 2 1 0 1 0 0 1 0 0 0 0 0
20.000 0 0 0 1 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0
21.000 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0
22.000 0 0 0 0 1 0 0 0 0 0 1 1 0 0 0 2 2 2 0 0
23.000 0 0 0 0 0 0 2 0 0 0 0 0 0 0 6 0 0 0 0 0
63.000 0 1 0 0 0 0 0 1 0 0 1 0 2 0 1 0 0 0 0 0
64.000 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 2 0
65.000 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 1 1 0
66.000 0 0 0 0 2 0 0 1 0 1 0 0 0 0 1 0 0 1 0 0
67.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
68.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
69.000 0 0 0 0 1 0 1 0 0 0 0 0 0 0 1 0 0 1 0 0
70.000 0 0 1 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 1 0
73.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
74.000 0 0 1 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0
75.000 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0
76.000 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0
77.000 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 1 1 0 0 0
78.000 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0
90.000 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0
91.000 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0
92.000 0 0 0 1 0 1 0 0 1 1 0 1 0 0 1 1 0 1 0 0
93.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
94.000 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
95.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
96.000 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0
97.000 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0
100.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
101.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
102.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
103.000 0 0 0 0 1 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 0 0 0
105.000 0 0 0 1 0 1 0 0 1 1 0 1 0 0 1 2 0 1 0 0
106.000 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0
107.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
108.000 2 0 0 2 5 0 0 2 0 0 1 1 0 0 2 0 0 0 1 0
109.000 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0
110.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
111.000 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0
112.000 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0
116.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
117.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
118.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
119.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
120.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
121.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0
122.000 0 0 0 2 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 1 0 0 0 0 0 0 0 0 0 0 0
135.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
136.000 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0
137.000 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0
138.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
139.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
140.000 1 0 0 2 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 0
141.000 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0
142.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
143.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0
144.000 0 0 0 1 1 0 0 0 1 0 1 1 0 0 0 1 1 1 1 0
145.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
146.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
#Reported_Model_Average 0.079 0.066 0.079 0.250 0.263 0.079 0.211 0.263 0.197 0.118 0.118 0.118 0.145 0.105 0.250 0.171 0.092 0.237 0.132 0.053
#Overall_Average_Reported 0.151
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2432:A 57 LEU H :A 57 LEU 3HD2 : -0.554: 0
: 2432:A 57 LEU 3HD2 :A 57 LEU N : -0.477: 0
: 2432:A 25 ASP 1HB :A 24 ARG O : -0.531: 0
: 2432:A 34 THR HB :A 33 MET O : -0.520: 0
: 2432:A 49 TRP 1HB :A 42 LEU 3HD2 : -0.478: 0
: 2432:A 43 ASP 1HB :A 49 TRP HA : -0.468: 0
: 2432:A 108 LEU 2HD1 :A 108 LEU C : -0.471: 0
: 2432:A 37 ARG 1HB :A 36 LEU O : -0.466: 0
: 2432:A 36 LEU O :A 37 ARG CB : -0.463: 0
: 2432:A 137 LEU HA :A 140 PHE 2HB : -0.460: 0
: 2432:A 16 ALA 2HB :A 15 PRO O : -0.447: 0
: 2432:A 55 ALA 1HB :A 58 GLY 2HA : -0.418: 0
: 2432:A 133 LEU C :A 133 LEU 2HD1 : -0.410: 0
#sum2 ::5.35 clashscore : 5.35 clashscore B<40
#summary::2432 atoms:2432 atoms B<40:271674 potential dots:16980.0 A^2:13 bumps:13 bumps B<40:758.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2432:A 57 LEU H :A 57 LEU 3HD2 : -0.658: 0
: 2432:A 57 LEU 3HD2 :A 57 LEU N : -0.463: 0
: 2432:A 80 LEU 3HD1 :A 57 LEU 2HD2 : -0.463: 0
: 2432:A 27 PRO CD :A 26 LEU N : -0.503: 0
: 2432:A 27 PRO 2HD :A 25 ASP H : -0.417: 0
: 2432:A 97 PRO 1HD :A 96 ALA 1HB : -0.471: 0
: 2432:A 49 TRP 1HB :A 48 ARG O : -0.468: 0
: 2432:A 50 THR H :A 48 ARG C : -0.442: 0
: 2432:A 30 PRO 1HD :A 29 LEU 2HD1 : -0.465: 0
: 2432:A 34 THR H :A 29 LEU 1HD2 : -0.417: 0
: 2432:A 16 ALA HA :A 19 LEU 2HD1 : -0.440: 0
: 2432:A 63 GLU 2HB :A 47 SER 1HB : -0.432: 0
: 2432:A 85 ILE O :A 86 GLU 1HB : -0.426: 0
: 2432:A 41 VAL 3HG2 :A 39 VAL 2HG1 : -0.418: 0
#sum2 ::5.76 clashscore : 5.76 clashscore B<40
#summary::2432 atoms:2432 atoms B<40:270998 potential dots:16940.0 A^2:14 bumps:14 bumps B<40:868 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2432:A 16 ALA 2HB :A 15 PRO O : -0.548: 0
: 2432:A 15 PRO O :A 16 ALA CB : -0.469: 0
: 2432:A 114 GLY 1HA :A 133 LEU 1HB : -0.546: 0
: 2432:A 39 VAL O :A 39 VAL 2HG1 : -0.537: 0
: 2432:A 30 PRO 1HG :A 32 LEU HG : -0.484: 0
: 2432:A 32 LEU 3HD1 :A 37 ARG HA : -0.467: 0
: 2432:A 126 ASN O :A 127 GLN 2HB : -0.481: 0
: 2432:A 126 ASN O :A 127 GLN CB : -0.424: 0
: 2432:A 84 ARG 1HB :A 83 ALA O : -0.417: 0
: 2432:A 43 ASP OD1 :A 43 ASP C : -0.414: 0
: 2432:A 70 GLU 1HB :A 74 ARG H : -0.401: 0
#sum2 ::4.52 clashscore : 4.52 clashscore B<40
#summary::2432 atoms:2432 atoms B<40:271274 potential dots:16950.0 A^2:11 bumps:11 bumps B<40:820.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2432:A 126 ASN 2HB :A 122 ALA HA : -0.566: 0
: 2432:A 122 ALA HA :A 126 ASN CB : -0.415: 0
: 2432:A 36 LEU 1HB :A 31 LEU HA : -0.544: 0
: 2432:A 16 ALA 2HB :A 15 PRO O : -0.515: 0
: 2432:A 16 ALA HA :A 19 LEU 2HD1 : -0.428: 0
: 2432:A 15 PRO O :A 16 ALA CB : -0.400: 0
: 2432:A 105 VAL HB :A 92 LEU 1HB : -0.486: 0
: 2432:A 108 LEU 3HD2 :A 108 LEU C : -0.455: 0
: 2432:A 32 LEU CD1 :A 32 LEU N : -0.448: 0
: 2432:A 137 LEU HA :A 140 PHE 2HB : -0.421: 0
: 2432:A 140 PHE CZ :A 144 GLN 1HG : -0.402: 0
: 2432:A 132 GLN 2HG :A 136 ASP 1HB : -0.409: 0
: 2432:A 20 TYR CE2 :A 17 GLU HA : -0.404: 0
: 2432:A 43 ASP H :A 41 VAL 2HG1 : -0.402: 0
#sum2 ::5.76 clashscore : 5.76 clashscore B<40
#summary::2432 atoms:2432 atoms B<40:271408 potential dots:16960.0 A^2:14 bumps:14 bumps B<40:739.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2432:A 57 LEU 2HD1 :A 57 LEU O : -0.544: 0
: 2432:A 57 LEU 2HD1 :A 57 LEU C : -0.501: 0
: 2432:A 79 SER HA :A 64 ALA HA : -0.531: 0
: 2432:A 41 VAL 3HG1 :A 46 ARG 1HB : -0.508: 0
: 2432:A 24 ARG 1HH2 :A 42 LEU 2HB : -0.403: 0
: 2432:A 41 VAL O :A 42 LEU 1HB : -0.403: 0
: 2432:A 108 LEU O :A 108 LEU 2HD1 : -0.505: 0
: 2432:A 108 LEU 2HD1 :A 108 LEU C : -0.462: 0
: 2432:A 108 LEU HA :A 89 GLY 2HA : -0.433: 0
: 2432:A 16 ALA 2HB :A 15 PRO O : -0.497: 0
: 2432:A 34 THR 2HG2 :A 34 THR O : -0.485: 0
: 2432:A 22 VAL HB :A 144 GLN 1HG : -0.463: 0
: 2432:A 45 LYS HA :A 66 LEU 1HB : -0.448: 0
: 2432:A 66 LEU 1HD2 :A 69 ASP 1HB : -0.400: 0
: 2432:A 137 LEU 1HB :A 134 ARG HA : -0.442: 0
: 2432:A 39 VAL CG1 :A 36 LEU H : -0.437: 0
: 2432:A 49 TRP O :A 49 TRP CE3 : -0.435: 0
: 2432:A 76 ALA HA :A 90 GLU HA : -0.431: 0
: 2432:A 109 THR HA :A 5 VAL HA : -0.407: 0
: 2432:A 132 GLN 1HB :A 131 GLN O : -0.405: 0
: 2432:A 94 ARG O :A 103 GLU N : -0.401: 0
#sum2 ::8.63 clashscore : 8.63 clashscore B<40
#summary::2432 atoms:2432 atoms B<40:271502 potential dots:16970.0 A^2:21 bumps:21 bumps B<40:803.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2432:A 16 ALA 2HB :A 15 PRO O : -0.519: 0
: 2432:A 105 VAL HB :A 92 LEU 2HB : -0.495: 0
: 2432:A 150 HIS O :A 151 HIS 2HB : -0.491: 0
: 2432:A 51 VAL 2HG1 :A 51 VAL O : -0.490: 0
: 2432:A 148 LEU O :A 149 GLU 2HB : -0.460: 0
: 2432:A 148 LEU O :A 149 GLU CB : -0.443: 0
: 2432:A 38 SER 2HB :A 27 PRO 2HG : -0.454: 0
: 2432:A 56 PRO 2HD :A 55 ALA N : -0.442: 0
: 2432:A 59 ALA O :A 60 VAL HB : -0.426: 0
: 2432:A 60 VAL O :A 60 VAL 2HG1 : -0.426: 0
: 2432:A 70 GLU 1HB :A 74 ARG H : -0.419: 0
#sum2 ::4.52 clashscore : 4.52 clashscore B<40
#summary::2432 atoms:2432 atoms B<40:271369 potential dots:16960.0 A^2:11 bumps:11 bumps B<40:808.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2432:A 23 TRP CE3 :A 23 TRP O : -0.642: 0
: 2432:A 16 ALA 2HB :A 15 PRO O : -0.537: 0
: 2432:A 15 PRO O :A 16 ALA CB : -0.455: 0
: 2432:A 37 ARG 1HB :A 36 LEU O : -0.506: 0
: 2432:A 36 LEU O :A 37 ARG CB : -0.447: 0
: 2432:A 14 LYS H :A 12 ILE 2HG2 : -0.505: 0
: 2432:A 148 LEU O :A 149 GLU 2HB : -0.424: 0
: 2432:A 14 LYS 1HG :A 148 LEU 3HD1 : -0.402: 0
: 2432:A 75 ILE 2HG2 :A 69 ASP HA : -0.502: 0
: 2432:A 70 GLU 1HB :A 74 ARG H : -0.462: 0
: 2432:A 25 ASP N :A 21 ALA O : -0.445: 0
: 2432:A 127 GLN O :A 128 GLU 1HB : -0.435: 0
: 2432:A 78 ARG O :A 65 GLU N : -0.433: 0
: 2432:A 24 ARG HA :A 24 ARG NE : -0.423: 0
: 2432:A 49 TRP O :A 49 TRP CD1 : -0.411: 0
#sum2 ::6.17 clashscore : 6.17 clashscore B<40
#summary::2432 atoms:2432 atoms B<40:271424 potential dots:16960.0 A^2:15 bumps:15 bumps B<40:811.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2432:A 51 VAL 2HG1 :A 51 VAL O : -0.668: 0
: 2432:A 51 VAL O :A 51 VAL CG1 : -0.447: 0
: 2432:A 49 TRP O :A 49 TRP CE3 : -0.647: 0
: 2432:A 40 GLU HA :A 49 TRP HA : -0.507: 0
: 2432:A 49 TRP CD2 :A 49 TRP O : -0.455: 0
: 2432:A 16 ALA 2HB :A 15 PRO O : -0.573: 0
: 2432:A 15 PRO O :A 16 ALA CB : -0.490: 0
: 2432:A 46 ARG 1HB :A 45 LYS O : -0.487: 0
: 2432:A 65 GLU 2HG :A 46 ARG HE : -0.478: 0
: 2432:A 77 TRP CD1 :A 77 TRP C : -0.480: 0
: 2432:A 77 TRP O :A 77 TRP HD1 : -0.431: 0
: 2432:A 108 LEU N :A 108 LEU 3HD2 : -0.460: 0
: 2432:A 52 GLU HA :A 35 HIS H : -0.458: 0
: 2432:A 54 PRO O :A 55 ALA 3HB : -0.434: 0
: 2432:A 41 VAL 2HG1 :A 42 LEU HG : -0.434: 0
: 2432:A 154 HIS 2HB :A 153 HIS O : -0.434: 0
: 2432:A 10 VAL HB :A 141 LYS 1HD : -0.427: 0
: 2432:A 79 SER HA :A 64 ALA HA : -0.423: 0
: 2432:A 37 ARG 1HB :A 36 LEU O : -0.420: 0
: 2432:A 3 GLU HA :A 111 ARG 1HG : -0.419: 0
: 2432:A 106 VAL 2HG2 :A 91 VAL 2HG2 : -0.409: 0
: 2432:A 63 GLU 2HB :A 48 ARG CB : -0.406: 0
: 2432:A 75 ILE 3HG2 :A 66 LEU 1HD1 : -0.400: 0
#sum2 ::9.46 clashscore : 9.46 clashscore B<40
#summary::2432 atoms:2432 atoms B<40:271334 potential dots:16960.0 A^2:23 bumps:23 bumps B<40:777.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2432:A 61 SER CB :A 60 VAL O : -0.692: 0
: 2432:A 57 LEU 1HB :A 60 VAL HB : -0.489: 0
: 2432:A 61 SER 1HB :A 60 VAL O : -0.485: 0
: 2432:A 60 VAL O :A 61 SER OG : -0.425: 0
: 2432:A 16 ALA 2HB :A 15 PRO O : -0.576: 0
: 2432:A 15 PRO O :A 16 ALA CB : -0.471: 0
: 2432:A 133 LEU N :A 133 LEU 3HD2 : -0.506: 0
: 2432:A 105 VAL HB :A 92 LEU 2HB : -0.469: 0
: 2432:A 85 ILE O :A 86 GLU 1HB : -0.449: 0
: 2432:A 14 LYS 1HB :A 19 LEU 1HD2 : -0.444: 0
: 2432:A 14 LYS 1HB :A 19 LEU 1HD1 : -0.409: 0
: 2432:A 70 GLU 1HB :A 74 ARG H : -0.438: 0
: 2432:A 33 MET HA :A 39 VAL HA : -0.421: 0
: 2432:A 41 VAL H :A 39 VAL 3HG2 : -0.400: 0
: 2432:A 43 ASP O :A 44 ASP 1HB : -0.417: 0
: 2432:A 140 PHE CE2 :A 144 GLN 2HG : -0.417: 0
: 2432:A 37 ARG 1HB :A 36 LEU O : -0.416: 0
: 2432:A 50 THR O :A 50 THR OG1 : -0.412: 0
: 2432:A 125 PHE 1HB :A 124 MET O : -0.409: 0
#sum2 ::7.81 clashscore : 7.81 clashscore B<40
#summary::2432 atoms:2432 atoms B<40:271232 potential dots:16950.0 A^2:19 bumps:19 bumps B<40:820.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2432:A 105 VAL HB :A 92 LEU 2HB : -0.481: 0
: 2432:A 85 ILE HA :A 79 SER 2HB : -0.449: 0
: 2432:A 85 ILE 2HG2 :A 85 ILE O : -0.410: 0
: 2432:A 16 ALA 2HB :A 15 PRO O : -0.447: 0
: 2432:A 66 LEU 3HD1 :A 41 VAL HB : -0.432: 0
: 2432:A 7 ARG O :A 8 ASP 1HB : -0.406: 0
: 2432:A 56 PRO 2HD :A 55 ALA HA : -0.406: 0
: 2432:A 43 ASP O :A 44 ASP 1HB : -0.405: 0
: 2432:A 14 LYS 1HB :A 19 LEU 1HD2 : -0.405: 0
: 2432:A 51 VAL HB :A 39 VAL HA : -0.404: 0
#sum2 ::4.11 clashscore : 4.11 clashscore B<40
#summary::2432 atoms:2432 atoms B<40:271189 potential dots:16950.0 A^2:10 bumps:10 bumps B<40:808.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2432:A 16 ALA 2HB :A 15 PRO O : -0.609: 0
: 2432:A 15 PRO O :A 16 ALA CB : -0.507: 0
: 2432:A 48 ARG 1HG :A 63 GLU 2HB : -0.547: 0
: 2432:A 22 VAL 1HG1 :A 144 GLN 1HG : -0.486: 0
: 2432:A 27 PRO CD :A 26 LEU N : -0.478: 0
: 2432:A 26 LEU N :A 27 PRO 2HD : -0.410: 0
: 2432:A 85 ILE HB :A 79 SER 1HB : -0.465: 0
: 2432:A 52 GLU H :A 50 THR 2HG2 : -0.458: 0
: 2432:A 49 TRP O :A 50 THR HB : -0.405: 0
: 2432:A 106 VAL 2HG1 :A 108 LEU HG : -0.442: 0
#sum2 ::4.11 clashscore : 4.11 clashscore B<40
#summary::2432 atoms:2432 atoms B<40:271334 potential dots:16960.0 A^2:10 bumps:10 bumps B<40:820.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2432:A 134 ARG 2HG :A 134 ARG O : -0.551: 0
: 2432:A 79 SER HA :A 64 ALA HA : -0.533: 0
: 2432:A 57 LEU 2HD1 :A 57 LEU C : -0.494: 0
: 2432:A 82 GLY 2HA :A 57 LEU 1HB : -0.412: 0
: 2432:A 27 PRO CD :A 26 LEU N : -0.483: 0
: 2432:A 26 LEU 1HD1 :A 21 ALA 1HB : -0.407: 0
: 2432:A 51 VAL HB :A 50 THR O : -0.477: 0
: 2432:A 16 ALA HA :A 19 LEU 2HD1 : -0.441: 0
: 2432:A 47 SER O :A 48 ARG CB : -0.431: 0
: 2432:A 47 SER O :A 48 ARG 2HB : -0.416: 0
: 2432:A 33 MET O :A 34 THR OG1 : -0.429: 0
: 2432:A 61 SER 2HB :A 60 VAL O : -0.419: 0
: 2432:A 22 VAL 1HG2 :A 144 GLN 1HG : -0.416: 0
: 2432:A 105 VAL HB :A 92 LEU 1HB : -0.413: 0
: 2432:A 108 LEU 1HD1 :A 87 ASN 2HB : -0.411: 0
: 2432:A 43 ASP 2HB :A 25 ASP 1HB : -0.407: 0
#sum2 ::6.58 clashscore : 6.58 clashscore B<40
#summary::2432 atoms:2432 atoms B<40:271420 potential dots:16960.0 A^2:16 bumps:16 bumps B<40:747 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2432:A 49 TRP 1HB :A 48 ARG O : -0.584: 0
: 2432:A 16 ALA 2HB :A 15 PRO O : -0.577: 0
: 2432:A 15 PRO O :A 16 ALA CB : -0.459: 0
: 2432:A 34 THR C :A 33 MET O : -0.497: 0
: 2432:A 63 GLU OE1 :A 63 GLU N : -0.490: 0
: 2432:A 47 SER HA :A 62 TRP 1HB : -0.455: 0
: 2432:A 26 LEU 2HB :A 27 PRO CD : -0.445: 0
: 2432:A 43 ASP H :A 41 VAL 2HG1 : -0.439: 0
: 2432:A 53 ALA N :A 54 PRO CD : -0.433: 0
: 2432:A 37 ARG O :A 38 SER 1HB : -0.429: 0
: 2432:A 131 GLN 1HB :A 130 SER O : -0.422: 0
: 2432:A 90 GLU 1HG :A 76 ALA 1HB : -0.419: 0
: 2432:A 60 VAL O :A 60 VAL 2HG1 : -0.411: 0
: 2432:A 88 SER H :A 109 THR HB : -0.409: 0
: 2432:A 97 PRO 2HD :A 96 ALA HA : -0.409: 0
#sum2 ::6.17 clashscore : 6.17 clashscore B<40
#summary::2432 atoms:2432 atoms B<40:271164 potential dots:16950.0 A^2:15 bumps:15 bumps B<40:821.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2432:A 16 ALA 2HB :A 15 PRO O : -0.591: 0
: 2432:A 15 PRO O :A 16 ALA CB : -0.474: 0
: 2432:A 38 SER O :A 39 VAL HB : -0.537: 0
: 2432:A 38 SER O :A 39 VAL CB : -0.414: 0
: 2432:A 14 LYS H :A 12 ILE 2HG2 : -0.480: 0
: 2432:A 51 VAL 2HG2 :A 50 THR C : -0.466: 0
: 2432:A 34 THR 2HG2 :A 36 LEU H : -0.458: 0
: 2432:A 125 PHE 2HB :A 127 GLN 2HG : -0.416: 0
: 2432:A 112 PRO 1HD :A 111 ARG 1HB : -0.410: 0
#sum2 ::3.70 clashscore : 3.70 clashscore B<40
#summary::2432 atoms:2432 atoms B<40:271314 potential dots:16960.0 A^2:9 bumps:9 bumps B<40:755.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2432:A 23 TRP O :A 23 TRP HD1 : -0.690: 0
: 2432:A 23 TRP C :A 23 TRP CD1 : -0.557: 0
: 2432:A 23 TRP HD1 :A 23 TRP C : -0.499: 0
: 2432:A 69 ASP 2HB :A 66 LEU 1HD2 : -0.531: 0
: 2432:A 108 LEU 2HD1 :A 108 LEU C : -0.524: 0
: 2432:A 56 PRO 1HD :A 61 SER HA : -0.502: 0
: 2432:A 26 LEU N :A 26 LEU 2HD1 : -0.472: 0
: 2432:A 26 LEU 1HB :A 147 GLY 2HA : -0.431: 0
: 2432:A 30 PRO CD :A 29 LEU N : -0.451: 0
: 2432:A 20 TYR C :A 20 TYR CD1 : -0.440: 0
: 2432:A 75 ILE 3HD1 :A 20 TYR 1HB : -0.415: 0
: 2432:A 37 ARG 1HG :A 36 LEU HG : -0.415: 0
: 2432:A 53 ALA N :A 54 PRO CD : -0.412: 0
: 2432:A 63 GLU 2HB :A 62 TRP CE3 : -0.405: 0
: 2432:A 16 ALA HA :A 19 LEU 2HD1 : -0.404: 0
: 2432:A 105 VAL HB :A 92 LEU 1HB : -0.403: 0
: 2432:A 24 ARG HE :A 55 ALA H : -0.402: 0
#sum2 ::6.99 clashscore : 6.99 clashscore B<40
#summary::2432 atoms:2432 atoms B<40:271439 potential dots:16960.0 A^2:17 bumps:17 bumps B<40:789.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2432:A 29 LEU 2HB :A 30 PRO 1HD : -0.637: 0
: 2432:A 16 ALA 2HB :A 15 PRO O : -0.551: 0
: 2432:A 15 PRO O :A 16 ALA CB : -0.447: 0
: 2432:A 47 SER HG :A 77 TRP HE1 : -0.534: 0
: 2432:A 47 SER O :A 48 ARG 1HB : -0.446: 0
: 2432:A 105 VAL HB :A 92 LEU 1HB : -0.513: 0
: 2432:A 9 ALA 2HB :A 105 VAL 2HG2 : -0.405: 0
: 2432:A 128 GLU 2HB :A 131 GLN HA : -0.463: 0
: 2432:A 109 THR HB :A 88 SER H : -0.437: 0
: 2432:A 26 LEU 2HB :A 27 PRO 1HD : -0.434: 0
: 2432:A 34 THR HA :A 51 VAL 1HG2 : -0.434: 0
: 2432:A 22 VAL 2HG1 :A 26 LEU 3HD2 : -0.421: 0
: 2432:A 26 LEU 2HB :A 27 PRO CD : -0.417: 0
: 2432:A 22 VAL 1HG1 :A 144 GLN HA : -0.405: 0
#sum2 ::5.76 clashscore : 5.76 clashscore B<40
#summary::2432 atoms:2432 atoms B<40:271487 potential dots:16970.0 A^2:14 bumps:14 bumps B<40:833.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2432:A 133 LEU N :A 133 LEU 3HD2 : -0.542: 0
: 2432:A 133 LEU 3HD2 :A 133 LEU H : -0.404: 0
: 2432:A 149 GLU N :A 147 GLY O : -0.470: 0
: 2432:A 126 ASN 1HB :A 125 PHE O : -0.468: 0
: 2432:A 77 TRP 2HB :A 57 LEU HA : -0.465: 0
: 2432:A 22 VAL HA :A 26 LEU HA : -0.465: 0
: 2432:A 22 VAL 1HG1 :A 144 GLN HA : -0.405: 0
: 2432:A 153 HIS O :A 154 HIS 2HB : -0.464: 0
: 2432:A 48 ARG 1HG :A 49 TRP CD1 : -0.440: 0
: 2432:A 134 ARG 1HB :A 137 LEU 1HB : -0.407: 0
: 2432:A 15 PRO 2HD :A 14 LYS HA : -0.402: 0
#sum2 ::4.52 clashscore : 4.52 clashscore B<40
#summary::2432 atoms:2432 atoms B<40:271401 potential dots:16960.0 A^2:11 bumps:11 bumps B<40:764 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2432:A 51 VAL 2HG1 :A 51 VAL O : -0.615: 0
: 2432:A 51 VAL O :A 51 VAL CG1 : -0.407: 0
: 2432:A 16 ALA 2HB :A 15 PRO O : -0.575: 0
: 2432:A 15 PRO O :A 16 ALA CB : -0.470: 0
: 2432:A 69 ASP 2HB :A 66 LEU 1HD2 : -0.464: 0
: 2432:A 137 LEU HA :A 140 PHE 2HB : -0.461: 0
: 2432:A 22 VAL 2HG1 :A 26 LEU 1HB : -0.454: 0
: 2432:A 22 VAL CG2 :A 144 GLN 1HG : -0.410: 0
: 2432:A 27 PRO 1HD :A 26 LEU HA : -0.402: 0
: 2432:A 136 ASP 1HB :A 133 LEU 2HB : -0.447: 0
: 2432:A 40 GLU OE1 :A 40 GLU HA : -0.445: 0
: 2432:A 143 GLU 1HG :A 148 LEU 2HD1 : -0.434: 0
: 2432:A 105 VAL HB :A 92 LEU 2HB : -0.429: 0
: 2432:A 60 VAL 3HG1 :A 62 TRP CE2 : -0.406: 0
: 2432:A 65 GLU 1HB :A 80 LEU 1HD2 : -0.405: 0
: 2432:A 121 ILE 2HD1 :A 121 ILE HA : -0.403: 0
#sum2 ::6.58 clashscore : 6.58 clashscore B<40
#summary::2432 atoms:2432 atoms B<40:271263 potential dots:16950.0 A^2:16 bumps:16 bumps B<40:864.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2432:A 57 LEU H :A 57 LEU 3HD2 : -0.632: 0
: 2432:A 57 LEU 3HD2 :A 57 LEU N : -0.503: 0
: 2432:A 31 LEU O :A 33 MET N : -0.524: 0
: 2432:A 45 LYS O :A 46 ARG 1HB : -0.478: 0
: 2432:A 79 SER HA :A 64 ALA HA : -0.476: 0
: 2432:A 46 ARG HA :A 64 ALA H : -0.414: 0
: 2432:A 78 ARG 1HG :A 79 SER O : -0.404: 0
: 2432:A 71 PRO 2HD :A 70 GLU HA : -0.437: 0
: 2432:A 140 PHE CZ :A 144 GLN 2HG : -0.431: 0
: 2432:A 16 ALA 2HB :A 15 PRO O : -0.428: 0
: 2432:A 108 LEU HA :A 89 GLY 2HA : -0.420: 0
: 2432:A 65 GLU 1HB :A 80 LEU 3HD2 : -0.410: 0
#sum2 ::4.93 clashscore : 4.93 clashscore B<40
#summary::2432 atoms:2432 atoms B<40:271463 potential dots:16970.0 A^2:12 bumps:12 bumps B<40:815.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2432:A 49 TRP O :A 49 TRP CE3 : -0.700: 0
: 2432:A 49 TRP O :A 49 TRP CD2 : -0.439: 0
: 2432:A 16 ALA 2HB :A 15 PRO O : -0.625: 0
: 2432:A 15 PRO O :A 16 ALA CB : -0.508: 0
: 2432:A 43 ASP 1HB :A 42 LEU O : -0.530: 0
: 2432:A 26 LEU N :A 27 PRO CD : -0.468: 0
: 2432:A 26 LEU N :A 27 PRO 2HD : -0.457: 0
: 2432:A 27 PRO 2HD :A 25 ASP H : -0.407: 0
: 2432:A 57 LEU 2HB :A 80 LEU HG : -0.457: 0
: 2432:A 57 LEU 2HD1 :A 57 LEU C : -0.423: 0
#sum2 ::4.11 clashscore : 4.11 clashscore B<40
#summary::2432 atoms:2432 atoms B<40:271317 potential dots:16960.0 A^2:10 bumps:10 bumps B<40:784.6 score
Output from PDB validation software
Summary from PDB validation
May. 10, 02:26:32 2013
[ Text modified to reflect that this was run under PSVS - Aneerban Bhattacharya: Dec 2005 ]
The following checks were made on :
-----------------------------------------
CLOSE CONTACTS
==> Distances smaller than 2.2 Angstroms are considered as close contacts
for heavy atoms, 1.6 Angstroms for hydrogens.
none
DISTANCES AND ANGLES
We have checked your intra and intermolecular distances and angles with the
procedures currently in place at PDB:
==> Bond and angle checks are performed by first computing the average rms
error for all bonds and angles relative to standard values for nucleotide
units [L. Clowney et al., Geometric Parameters in Nucleic Acids: Nitrogenous
Bases, J.Am.Chem.Soc. 1996, 118, 509-518; A. Gelbin et al., Geometric
Parameters in Nucleic Acids: Sugar and Phosphate Constituents, J.Am.Chem.Soc.
1996, 118, 519-529] and amino acid units [R.A. Engh and R. Huber, Accurate
Bond and Angle Parameters for X-ray protein structure refinement, Acta
Crystallogr. 1991, A47, 392-400]. Any bond or angle which deviates from the
dictionary values by more than six times this computed rms error is
identified as an outlier.
*** Covalent Bond Lengths:
The RMS deviation for covalent bonds relative to the standard
dictionary is 0.011 Angstroms
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
------------------------------------------------------------------------
0.071 PRO A 30 19 CD - N 1.544 1.473
*** Covalent Angle Values:
The RMS deviation for covalent angles relative to the standard
dictionary is 0.8 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
--------------------------------------------------------------------------------
-5.4 LEU A 36 11 N - CA - C 105.8 111.2
-6.6 ASN A 87 17 N - CA - C 104.6 111.2
TORSION ANGLES
The torsion angle distributions have been checked. The postscript file of the
conformation rings showing the torsion angle distributions will be sent in a
separate E-mail message.
CHIRALITY
The chirality has been checked. O1P, O2P, and hydrogen atoms which do not
follow the convention defined in the IUBMB (Liebecq, C. Compendium of
Biochemical Nomenclature and Related Documents, 2nd ed.; Portland Press:
London and Chapel Hill, 1992) and IUPAC nomenclature (J.L. Markley, A. Bax,
Y. Arata, C.W. Hilbers, R. Kaptein, B.D. Sykes, P.E. Wright and K. Wüthrich,
Recommendations for the Presentation of NMR Structures of Proteins and
Nucleic Acids, Pure & Appl. Chem., Vol. 70, pp. 117-142, 1998) have been
standardized. Any other stereochemical violations are listed below.
E/Z NOMENCLATURE
E/Z nomenclature of hydrogens and/or nitrogens on Arg, Asn or Gln residues needs
to be corrected to conform with the standard for E/Z orientation presented in
[J.L. Markley, et al., Recommendations for the Presentation of NMR Structures of
Proteins and Nucleic Acids, Pure & Appl. Chem., 1998, 70, 117-142].
Model Chain Residue Residue Atom Name Original
Name Number Atom Name
----- ----- ------- ------- -------- ---------
1 A GLN 18 1HE2
1 A GLN 18 2HE2
1 A ASN 87 1HD2
1 A ASN 87 2HD2
1 A ASN 126 1HD2
1 A ASN 126 2HD2
1 A GLN 127 1HE2
1 A GLN 127 2HE2
1 A GLN 131 1HE2
1 A GLN 131 2HE2
1 A GLN 132 1HE2
1 A GLN 132 2HE2
1 A GLN 144 1HE2
1 A GLN 144 2HE2
2 A GLN 18 1HE2
2 A GLN 18 2HE2
2 A ASN 87 1HD2
2 A ASN 87 2HD2
2 A ASN 126 1HD2
2 A ASN 126 2HD2
2 A GLN 127 1HE2
2 A GLN 127 2HE2
2 A GLN 131 1HE2
2 A GLN 131 2HE2
2 A GLN 132 1HE2
2 A GLN 132 2HE2
2 A GLN 144 1HE2
2 A GLN 144 2HE2
3 A GLN 18 1HE2
3 A GLN 18 2HE2
3 A ASN 87 1HD2
3 A ASN 87 2HD2
3 A ASN 126 1HD2
3 A ASN 126 2HD2
3 A GLN 127 1HE2
3 A GLN 127 2HE2
3 A GLN 131 1HE2
3 A GLN 131 2HE2
3 A GLN 132 1HE2
3 A GLN 132 2HE2
3 A GLN 144 1HE2
3 A GLN 144 2HE2
4 A GLN 18 1HE2
4 A GLN 18 2HE2
4 A ASN 87 1HD2
4 A ASN 87 2HD2
4 A ASN 126 1HD2
4 A ASN 126 2HD2
4 A GLN 127 1HE2
4 A GLN 127 2HE2
4 A GLN 131 1HE2
4 A GLN 131 2HE2
4 A GLN 132 1HE2
4 A GLN 132 2HE2
4 A GLN 144 1HE2
4 A GLN 144 2HE2
5 A GLN 18 1HE2
5 A GLN 18 2HE2
5 A ASN 87 1HD2
5 A ASN 87 2HD2
5 A ASN 126 1HD2
5 A ASN 126 2HD2
5 A GLN 127 1HE2
5 A GLN 127 2HE2
5 A GLN 131 1HE2
5 A GLN 131 2HE2
5 A GLN 132 1HE2
5 A GLN 132 2HE2
5 A GLN 144 1HE2
5 A GLN 144 2HE2
6 A GLN 18 1HE2
6 A GLN 18 2HE2
6 A ASN 87 1HD2
6 A ASN 87 2HD2
6 A ASN 126 1HD2
6 A ASN 126 2HD2
6 A GLN 127 1HE2
6 A GLN 127 2HE2
6 A GLN 131 1HE2
6 A GLN 131 2HE2
6 A GLN 132 1HE2
6 A GLN 132 2HE2
6 A GLN 144 1HE2
6 A GLN 144 2HE2
7 A GLN 18 1HE2
7 A GLN 18 2HE2
7 A ASN 87 1HD2
7 A ASN 87 2HD2
7 A ASN 126 1HD2
7 A ASN 126 2HD2
7 A GLN 127 1HE2
7 A GLN 127 2HE2
7 A GLN 131 1HE2
7 A GLN 131 2HE2
7 A GLN 132 1HE2
7 A GLN 132 2HE2
7 A GLN 144 1HE2
7 A GLN 144 2HE2
8 A GLN 18 1HE2
8 A GLN 18 2HE2
8 A ASN 87 1HD2
8 A ASN 87 2HD2
8 A ASN 126 1HD2
8 A ASN 126 2HD2
8 A GLN 127 1HE2
8 A GLN 127 2HE2
8 A GLN 131 1HE2
8 A GLN 131 2HE2
8 A GLN 132 1HE2
8 A GLN 132 2HE2
8 A GLN 144 1HE2
8 A GLN 144 2HE2
9 A GLN 18 1HE2
9 A GLN 18 2HE2
9 A ASN 87 1HD2
9 A ASN 87 2HD2
9 A ASN 126 1HD2
9 A ASN 126 2HD2
9 A GLN 127 1HE2
9 A GLN 127 2HE2
9 A GLN 131 1HE2
9 A GLN 131 2HE2
9 A GLN 132 1HE2
9 A GLN 132 2HE2
9 A GLN 144 1HE2
9 A GLN 144 2HE2
10 A GLN 18 1HE2
10 A GLN 18 2HE2
10 A ASN 87 1HD2
10 A ASN 87 2HD2
10 A ASN 126 1HD2
10 A ASN 126 2HD2
10 A GLN 127 1HE2
10 A GLN 127 2HE2
10 A GLN 131 1HE2
10 A GLN 131 2HE2
10 A GLN 132 1HE2
10 A GLN 132 2HE2
10 A GLN 144 1HE2
10 A GLN 144 2HE2
11 A GLN 18 1HE2
11 A GLN 18 2HE2
11 A ASN 87 1HD2
11 A ASN 87 2HD2
11 A ASN 126 1HD2
11 A ASN 126 2HD2
11 A GLN 127 1HE2
11 A GLN 127 2HE2
11 A GLN 131 1HE2
11 A GLN 131 2HE2
11 A GLN 132 1HE2
11 A GLN 132 2HE2
11 A GLN 144 1HE2
11 A GLN 144 2HE2
12 A GLN 18 1HE2
12 A GLN 18 2HE2
12 A ASN 87 1HD2
12 A ASN 87 2HD2
12 A ASN 126 1HD2
12 A ASN 126 2HD2
12 A GLN 127 1HE2
12 A GLN 127 2HE2
12 A GLN 131 1HE2
12 A GLN 131 2HE2
12 A GLN 132 1HE2
12 A GLN 132 2HE2
12 A GLN 144 1HE2
12 A GLN 144 2HE2
13 A GLN 18 1HE2
13 A GLN 18 2HE2
13 A ASN 87 1HD2
13 A ASN 87 2HD2
13 A ASN 126 1HD2
13 A ASN 126 2HD2
13 A GLN 127 1HE2
13 A GLN 127 2HE2
13 A GLN 131 1HE2
13 A GLN 131 2HE2
13 A GLN 132 1HE2
13 A GLN 132 2HE2
13 A GLN 144 1HE2
13 A GLN 144 2HE2
14 A GLN 18 1HE2
14 A GLN 18 2HE2
14 A ASN 87 1HD2
14 A ASN 87 2HD2
14 A ASN 126 1HD2
14 A ASN 126 2HD2
14 A GLN 127 1HE2
14 A GLN 127 2HE2
14 A GLN 131 1HE2
14 A GLN 131 2HE2
14 A GLN 132 1HE2
14 A GLN 132 2HE2
14 A GLN 144 1HE2
14 A GLN 144 2HE2
15 A GLN 18 1HE2
15 A GLN 18 2HE2
15 A ASN 87 1HD2
15 A ASN 87 2HD2
15 A ASN 126 1HD2
15 A ASN 126 2HD2
15 A GLN 127 1HE2
15 A GLN 127 2HE2
15 A GLN 131 1HE2
15 A GLN 131 2HE2
15 A GLN 132 1HE2
15 A GLN 132 2HE2
15 A GLN 144 1HE2
15 A GLN 144 2HE2
16 A GLN 18 1HE2
16 A GLN 18 2HE2
16 A ASN 87 1HD2
16 A ASN 87 2HD2
16 A ASN 126 1HD2
16 A ASN 126 2HD2
16 A GLN 127 1HE2
16 A GLN 127 2HE2
16 A GLN 131 1HE2
16 A GLN 131 2HE2
16 A GLN 132 1HE2
16 A GLN 132 2HE2
16 A GLN 144 1HE2
16 A GLN 144 2HE2
17 A GLN 18 1HE2
17 A GLN 18 2HE2
17 A ASN 87 1HD2
17 A ASN 87 2HD2
17 A ASN 126 1HD2
17 A ASN 126 2HD2
17 A GLN 127 1HE2
17 A GLN 127 2HE2
17 A GLN 131 1HE2
17 A GLN 131 2HE2
17 A GLN 132 1HE2
17 A GLN 132 2HE2
17 A GLN 144 1HE2
17 A GLN 144 2HE2
18 A GLN 18 1HE2
18 A GLN 18 2HE2
18 A ASN 87 1HD2
18 A ASN 87 2HD2
18 A ASN 126 1HD2
18 A ASN 126 2HD2
18 A GLN 127 1HE2
18 A GLN 127 2HE2
18 A GLN 131 1HE2
18 A GLN 131 2HE2
18 A GLN 132 1HE2
18 A GLN 132 2HE2
18 A GLN 144 1HE2
18 A GLN 144 2HE2
19 A GLN 18 1HE2
19 A GLN 18 2HE2
19 A ASN 87 1HD2
19 A ASN 87 2HD2
19 A ASN 126 1HD2
19 A ASN 126 2HD2
19 A GLN 127 1HE2
19 A GLN 127 2HE2
19 A GLN 131 1HE2
19 A GLN 131 2HE2
19 A GLN 132 1HE2
19 A GLN 132 2HE2
19 A GLN 144 1HE2
19 A GLN 144 2HE2
20 A GLN 18 1HE2
20 A GLN 18 2HE2
20 A ASN 87 1HD2
20 A ASN 87 2HD2
20 A ASN 126 1HD2
20 A ASN 126 2HD2
20 A GLN 127 1HE2
20 A GLN 127 2HE2
20 A GLN 131 1HE2
20 A GLN 131 2HE2
20 A GLN 132 1HE2
20 A GLN 132 2HE2
20 A GLN 144 1HE2
20 A GLN 144 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-154 )
GLY( 1 A-153 )
GLU( 1 A-152 )
THR( 1 A-151 )
VAL( 1 A-150 )
VAL( 1 A-149 )
ARG( 1 A-148 )
ASP( 1 A-147 )
ALA( 1 A-146 )
VAL( 1 A-145 )
THR( 1 A-144 )
ILE( 1 A-143 )
GLY( 1 A-142 )
LYS( 1 A-141 )
PRO( 1 A-140 )
ALA( 1 A-139 )
GLU( 1 A-138 )
GLN( 1 A-137 )
LEU( 1 A-136 )
TYR( 1 A-135 )
ALA( 1 A-134 )
VAL( 1 A-133 )
TRP( 1 A-132 )
ARG( 1 A-131 )
ASP( 1 A-130 )
LEU( 1 A-129 )
PRO( 1 A-128 )
GLY( 1 A-127 )
LEU( 1 A-126 )
PRO( 1 A-125 )
LEU( 1 A-124 )
LEU( 1 A-123 )
MET( 1 A-122 )
THR( 1 A-121 )
HIS( 1 A-120 )
LEU( 1 A-119 )
ARG( 1 A-118 )
SER( 1 A-117 )
VAL( 1 A-116 )
GLU( 1 A-115 )
VAL( 1 A-114 )
LEU( 1 A-113 )
ASP( 1 A-112 )
ASP( 1 A-111 )
LYS( 1 A-110 )
ARG( 1 A-109 )
SER( 1 A-108 )
ARG( 1 A-107 )
TRP( 1 A-106 )
THR( 1 A-105 )
VAL( 1 A-104 )
GLU( 1 A-103 )
ALA( 1 A-102 )
PRO( 1 A-101 )
ALA( 1 A-100 )
PRO( 1 A -99 )
LEU( 1 A -98 )
GLY( 1 A -97 )
ALA( 1 A -96 )
VAL( 1 A -95 )
SER( 1 A -94 )
TRP( 1 A -93 )
GLU( 1 A -92 )
ALA( 1 A -91 )
GLU( 1 A -90 )
LEU( 1 A -89 )
THR( 1 A -88 )
ALA( 1 A -87 )
ASP( 1 A -86 )
GLU( 1 A -85 )
PRO( 1 A -84 )
GLY( 1 A -83 )
LYS( 1 A -82 )
ARG( 1 A -81 )
ILE( 1 A -80 )
ALA( 1 A -79 )
TRP( 1 A -78 )
ARG( 1 A -77 )
SER( 1 A -76 )
LEU( 1 A -75 )
PRO( 1 A -74 )
GLY( 1 A -73 )
ALA( 1 A -72 )
ARG( 1 A -71 )
ILE( 1 A -70 )
GLU( 1 A -69 )
ASN( 1 A -68 )
SER( 1 A -67 )
GLY( 1 A -66 )
GLU( 1 A -65 )
VAL( 1 A -64 )
LEU( 1 A -63 )
PHE( 1 A -62 )
ARG( 1 A -61 )
PRO( 1 A -60 )
ALA( 1 A -59 )
PRO( 1 A -58 )
GLY( 1 A -57 )
ALA( 1 A -56 )
ARG( 1 A -55 )
GLY( 1 A -54 )
THR( 1 A -53 )
GLU( 1 A -52 )
VAL( 1 A -51 )
VAL( 1 A -50 )
VAL( 1 A -49 )
ARG( 1 A -48 )
LEU( 1 A -47 )
THR( 1 A -46 )
TYR( 1 A -45 )
ARG( 1 A -44 )
PRO( 1 A -43 )
PRO( 1 A -42 )
GLY( 1 A -41 )
GLY( 1 A -40 )
SER( 1 A -39 )
ALA( 1 A -38 )
GLY( 1 A -37 )
ALA( 1 A -36 )
VAL( 1 A -35 )
ILE( 1 A -34 )
ALA( 1 A -33 )
ARG( 1 A -32 )
MET( 1 A -31 )
PHE( 1 A -30 )
ASN( 1 A -29 )
GLN( 1 A -28 )
GLU( 1 A -27 )
PRO( 1 A -26 )
SER( 1 A -25 )
GLN( 1 A -24 )
GLN( 1 A -23 )
LEU( 1 A -22 )
ARG( 1 A -21 )
ASP( 1 A -20 )
ASP( 1 A -19 )
LEU( 1 A -18 )
MET( 1 A -17 )
ARG( 1 A -16 )
PHE( 1 A -15 )
LYS( 1 A -14 )
ARG( 1 A -13 )
GLU( 1 A -12 )
GLN( 1 A -11 )
GLU( 1 A -10 )
LEU( 1 A -9 )
GLY( 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-154 )
GLY( 2 A-153 )
GLU( 2 A-152 )
THR( 2 A-151 )
VAL( 2 A-150 )
VAL( 2 A-149 )
ARG( 2 A-148 )
ASP( 2 A-147 )
ALA( 2 A-146 )
VAL( 2 A-145 )
THR( 2 A-144 )
ILE( 2 A-143 )
GLY( 2 A-142 )
LYS( 2 A-141 )
PRO( 2 A-140 )
ALA( 2 A-139 )
GLU( 2 A-138 )
GLN( 2 A-137 )
LEU( 2 A-136 )
TYR( 2 A-135 )
ALA( 2 A-134 )
VAL( 2 A-133 )
TRP( 2 A-132 )
ARG( 2 A-131 )
ASP( 2 A-130 )
LEU( 2 A-129 )
PRO( 2 A-128 )
GLY( 2 A-127 )
LEU( 2 A-126 )
PRO( 2 A-125 )
LEU( 2 A-124 )
LEU( 2 A-123 )
MET( 2 A-122 )
THR( 2 A-121 )
HIS( 2 A-120 )
LEU( 2 A-119 )
ARG( 2 A-118 )
SER( 2 A-117 )
VAL( 2 A-116 )
GLU( 2 A-115 )
VAL( 2 A-114 )
LEU( 2 A-113 )
ASP( 2 A-112 )
ASP( 2 A-111 )
LYS( 2 A-110 )
ARG( 2 A-109 )
SER( 2 A-108 )
ARG( 2 A-107 )
TRP( 2 A-106 )
THR( 2 A-105 )
VAL( 2 A-104 )
GLU( 2 A-103 )
ALA( 2 A-102 )
PRO( 2 A-101 )
ALA( 2 A-100 )
PRO( 2 A -99 )
LEU( 2 A -98 )
GLY( 2 A -97 )
ALA( 2 A -96 )
VAL( 2 A -95 )
SER( 2 A -94 )
TRP( 2 A -93 )
GLU( 2 A -92 )
ALA( 2 A -91 )
GLU( 2 A -90 )
LEU( 2 A -89 )
THR( 2 A -88 )
ALA( 2 A -87 )
ASP( 2 A -86 )
GLU( 2 A -85 )
PRO( 2 A -84 )
GLY( 2 A -83 )
LYS( 2 A -82 )
ARG( 2 A -81 )
ILE( 2 A -80 )
ALA( 2 A -79 )
TRP( 2 A -78 )
ARG( 2 A -77 )
SER( 2 A -76 )
LEU( 2 A -75 )
PRO( 2 A -74 )
GLY( 2 A -73 )
ALA( 2 A -72 )
ARG( 2 A -71 )
ILE( 2 A -70 )
GLU( 2 A -69 )
ASN( 2 A -68 )
SER( 2 A -67 )
GLY( 2 A -66 )
GLU( 2 A -65 )
VAL( 2 A -64 )
LEU( 2 A -63 )
PHE( 2 A -62 )
ARG( 2 A -61 )
PRO( 2 A -60 )
ALA( 2 A -59 )
PRO( 2 A -58 )
GLY( 2 A -57 )
ALA( 2 A -56 )
ARG( 2 A -55 )
GLY( 2 A -54 )
THR( 2 A -53 )
GLU( 2 A -52 )
VAL( 2 A -51 )
VAL( 2 A -50 )
VAL( 2 A -49 )
ARG( 2 A -48 )
LEU( 2 A -47 )
THR( 2 A -46 )
TYR( 2 A -45 )
ARG( 2 A -44 )
PRO( 2 A -43 )
PRO( 2 A -42 )
GLY( 2 A -41 )
GLY( 2 A -40 )
SER( 2 A -39 )
ALA( 2 A -38 )
GLY( 2 A -37 )
ALA( 2 A -36 )
VAL( 2 A -35 )
ILE( 2 A -34 )
ALA( 2 A -33 )
ARG( 2 A -32 )
MET( 2 A -31 )
PHE( 2 A -30 )
ASN( 2 A -29 )
GLN( 2 A -28 )
GLU( 2 A -27 )
PRO( 2 A -26 )
SER( 2 A -25 )
GLN( 2 A -24 )
GLN( 2 A -23 )
LEU( 2 A -22 )
ARG( 2 A -21 )
ASP( 2 A -20 )
ASP( 2 A -19 )
LEU( 2 A -18 )
MET( 2 A -17 )
ARG( 2 A -16 )
PHE( 2 A -15 )
LYS( 2 A -14 )
ARG( 2 A -13 )
GLU( 2 A -12 )
GLN( 2 A -11 )
GLU( 2 A -10 )
LEU( 2 A -9 )
GLY( 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-154 )
GLY( 3 A-153 )
GLU( 3 A-152 )
THR( 3 A-151 )
VAL( 3 A-150 )
VAL( 3 A-149 )
ARG( 3 A-148 )
ASP( 3 A-147 )
ALA( 3 A-146 )
VAL( 3 A-145 )
THR( 3 A-144 )
ILE( 3 A-143 )
GLY( 3 A-142 )
LYS( 3 A-141 )
PRO( 3 A-140 )
ALA( 3 A-139 )
GLU( 3 A-138 )
GLN( 3 A-137 )
LEU( 3 A-136 )
TYR( 3 A-135 )
ALA( 3 A-134 )
VAL( 3 A-133 )
TRP( 3 A-132 )
ARG( 3 A-131 )
ASP( 3 A-130 )
LEU( 3 A-129 )
PRO( 3 A-128 )
GLY( 3 A-127 )
LEU( 3 A-126 )
PRO( 3 A-125 )
LEU( 3 A-124 )
LEU( 3 A-123 )
MET( 3 A-122 )
THR( 3 A-121 )
HIS( 3 A-120 )
LEU( 3 A-119 )
ARG( 3 A-118 )
SER( 3 A-117 )
VAL( 3 A-116 )
GLU( 3 A-115 )
VAL( 3 A-114 )
LEU( 3 A-113 )
ASP( 3 A-112 )
ASP( 3 A-111 )
LYS( 3 A-110 )
ARG( 3 A-109 )
SER( 3 A-108 )
ARG( 3 A-107 )
TRP( 3 A-106 )
THR( 3 A-105 )
VAL( 3 A-104 )
GLU( 3 A-103 )
ALA( 3 A-102 )
PRO( 3 A-101 )
ALA( 3 A-100 )
PRO( 3 A -99 )
LEU( 3 A -98 )
GLY( 3 A -97 )
ALA( 3 A -96 )
VAL( 3 A -95 )
SER( 3 A -94 )
TRP( 3 A -93 )
GLU( 3 A -92 )
ALA( 3 A -91 )
GLU( 3 A -90 )
LEU( 3 A -89 )
THR( 3 A -88 )
ALA( 3 A -87 )
ASP( 3 A -86 )
GLU( 3 A -85 )
PRO( 3 A -84 )
GLY( 3 A -83 )
LYS( 3 A -82 )
ARG( 3 A -81 )
ILE( 3 A -80 )
ALA( 3 A -79 )
TRP( 3 A -78 )
ARG( 3 A -77 )
SER( 3 A -76 )
LEU( 3 A -75 )
PRO( 3 A -74 )
GLY( 3 A -73 )
ALA( 3 A -72 )
ARG( 3 A -71 )
ILE( 3 A -70 )
GLU( 3 A -69 )
ASN( 3 A -68 )
SER( 3 A -67 )
GLY( 3 A -66 )
GLU( 3 A -65 )
VAL( 3 A -64 )
LEU( 3 A -63 )
PHE( 3 A -62 )
ARG( 3 A -61 )
PRO( 3 A -60 )
ALA( 3 A -59 )
PRO( 3 A -58 )
GLY( 3 A -57 )
ALA( 3 A -56 )
ARG( 3 A -55 )
GLY( 3 A -54 )
THR( 3 A -53 )
GLU( 3 A -52 )
VAL( 3 A -51 )
VAL( 3 A -50 )
VAL( 3 A -49 )
ARG( 3 A -48 )
LEU( 3 A -47 )
THR( 3 A -46 )
TYR( 3 A -45 )
ARG( 3 A -44 )
PRO( 3 A -43 )
PRO( 3 A -42 )
GLY( 3 A -41 )
GLY( 3 A -40 )
SER( 3 A -39 )
ALA( 3 A -38 )
GLY( 3 A -37 )
ALA( 3 A -36 )
VAL( 3 A -35 )
ILE( 3 A -34 )
ALA( 3 A -33 )
ARG( 3 A -32 )
MET( 3 A -31 )
PHE( 3 A -30 )
ASN( 3 A -29 )
GLN( 3 A -28 )
GLU( 3 A -27 )
PRO( 3 A -26 )
SER( 3 A -25 )
GLN( 3 A -24 )
GLN( 3 A -23 )
LEU( 3 A -22 )
ARG( 3 A -21 )
ASP( 3 A -20 )
ASP( 3 A -19 )
LEU( 3 A -18 )
MET( 3 A -17 )
ARG( 3 A -16 )
PHE( 3 A -15 )
LYS( 3 A -14 )
ARG( 3 A -13 )
GLU( 3 A -12 )
GLN( 3 A -11 )
GLU( 3 A -10 )
LEU( 3 A -9 )
GLY( 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-154 )
GLY( 4 A-153 )
GLU( 4 A-152 )
THR( 4 A-151 )
VAL( 4 A-150 )
VAL( 4 A-149 )
ARG( 4 A-148 )
ASP( 4 A-147 )
ALA( 4 A-146 )
VAL( 4 A-145 )
THR( 4 A-144 )
ILE( 4 A-143 )
GLY( 4 A-142 )
LYS( 4 A-141 )
PRO( 4 A-140 )
ALA( 4 A-139 )
GLU( 4 A-138 )
GLN( 4 A-137 )
LEU( 4 A-136 )
TYR( 4 A-135 )
ALA( 4 A-134 )
VAL( 4 A-133 )
TRP( 4 A-132 )
ARG( 4 A-131 )
ASP( 4 A-130 )
LEU( 4 A-129 )
PRO( 4 A-128 )
GLY( 4 A-127 )
LEU( 4 A-126 )
PRO( 4 A-125 )
LEU( 4 A-124 )
LEU( 4 A-123 )
MET( 4 A-122 )
THR( 4 A-121 )
HIS( 4 A-120 )
LEU( 4 A-119 )
ARG( 4 A-118 )
SER( 4 A-117 )
VAL( 4 A-116 )
GLU( 4 A-115 )
VAL( 4 A-114 )
LEU( 4 A-113 )
ASP( 4 A-112 )
ASP( 4 A-111 )
LYS( 4 A-110 )
ARG( 4 A-109 )
SER( 4 A-108 )
ARG( 4 A-107 )
TRP( 4 A-106 )
THR( 4 A-105 )
VAL( 4 A-104 )
GLU( 4 A-103 )
ALA( 4 A-102 )
PRO( 4 A-101 )
ALA( 4 A-100 )
PRO( 4 A -99 )
LEU( 4 A -98 )
GLY( 4 A -97 )
ALA( 4 A -96 )
VAL( 4 A -95 )
SER( 4 A -94 )
TRP( 4 A -93 )
GLU( 4 A -92 )
ALA( 4 A -91 )
GLU( 4 A -90 )
LEU( 4 A -89 )
THR( 4 A -88 )
ALA( 4 A -87 )
ASP( 4 A -86 )
GLU( 4 A -85 )
PRO( 4 A -84 )
GLY( 4 A -83 )
LYS( 4 A -82 )
ARG( 4 A -81 )
ILE( 4 A -80 )
ALA( 4 A -79 )
TRP( 4 A -78 )
ARG( 4 A -77 )
SER( 4 A -76 )
LEU( 4 A -75 )
PRO( 4 A -74 )
GLY( 4 A -73 )
ALA( 4 A -72 )
ARG( 4 A -71 )
ILE( 4 A -70 )
GLU( 4 A -69 )
ASN( 4 A -68 )
SER( 4 A -67 )
GLY( 4 A -66 )
GLU( 4 A -65 )
VAL( 4 A -64 )
LEU( 4 A -63 )
PHE( 4 A -62 )
ARG( 4 A -61 )
PRO( 4 A -60 )
ALA( 4 A -59 )
PRO( 4 A -58 )
GLY( 4 A -57 )
ALA( 4 A -56 )
ARG( 4 A -55 )
GLY( 4 A -54 )
THR( 4 A -53 )
GLU( 4 A -52 )
VAL( 4 A -51 )
VAL( 4 A -50 )
VAL( 4 A -49 )
ARG( 4 A -48 )
LEU( 4 A -47 )
THR( 4 A -46 )
TYR( 4 A -45 )
ARG( 4 A -44 )
PRO( 4 A -43 )
PRO( 4 A -42 )
GLY( 4 A -41 )
GLY( 4 A -40 )
SER( 4 A -39 )
ALA( 4 A -38 )
GLY( 4 A -37 )
ALA( 4 A -36 )
VAL( 4 A -35 )
ILE( 4 A -34 )
ALA( 4 A -33 )
ARG( 4 A -32 )
MET( 4 A -31 )
PHE( 4 A -30 )
ASN( 4 A -29 )
GLN( 4 A -28 )
GLU( 4 A -27 )
PRO( 4 A -26 )
SER( 4 A -25 )
GLN( 4 A -24 )
GLN( 4 A -23 )
LEU( 4 A -22 )
ARG( 4 A -21 )
ASP( 4 A -20 )
ASP( 4 A -19 )
LEU( 4 A -18 )
MET( 4 A -17 )
ARG( 4 A -16 )
PHE( 4 A -15 )
LYS( 4 A -14 )
ARG( 4 A -13 )
GLU( 4 A -12 )
GLN( 4 A -11 )
GLU( 4 A -10 )
LEU( 4 A -9 )
GLY( 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-154 )
GLY( 5 A-153 )
GLU( 5 A-152 )
THR( 5 A-151 )
VAL( 5 A-150 )
VAL( 5 A-149 )
ARG( 5 A-148 )
ASP( 5 A-147 )
ALA( 5 A-146 )
VAL( 5 A-145 )
THR( 5 A-144 )
ILE( 5 A-143 )
GLY( 5 A-142 )
LYS( 5 A-141 )
PRO( 5 A-140 )
ALA( 5 A-139 )
GLU( 5 A-138 )
GLN( 5 A-137 )
LEU( 5 A-136 )
TYR( 5 A-135 )
ALA( 5 A-134 )
VAL( 5 A-133 )
TRP( 5 A-132 )
ARG( 5 A-131 )
ASP( 5 A-130 )
LEU( 5 A-129 )
PRO( 5 A-128 )
GLY( 5 A-127 )
LEU( 5 A-126 )
PRO( 5 A-125 )
LEU( 5 A-124 )
LEU( 5 A-123 )
MET( 5 A-122 )
THR( 5 A-121 )
HIS( 5 A-120 )
LEU( 5 A-119 )
ARG( 5 A-118 )
SER( 5 A-117 )
VAL( 5 A-116 )
GLU( 5 A-115 )
VAL( 5 A-114 )
LEU( 5 A-113 )
ASP( 5 A-112 )
ASP( 5 A-111 )
LYS( 5 A-110 )
ARG( 5 A-109 )
SER( 5 A-108 )
ARG( 5 A-107 )
TRP( 5 A-106 )
THR( 5 A-105 )
VAL( 5 A-104 )
GLU( 5 A-103 )
ALA( 5 A-102 )
PRO( 5 A-101 )
ALA( 5 A-100 )
PRO( 5 A -99 )
LEU( 5 A -98 )
GLY( 5 A -97 )
ALA( 5 A -96 )
VAL( 5 A -95 )
SER( 5 A -94 )
TRP( 5 A -93 )
GLU( 5 A -92 )
ALA( 5 A -91 )
GLU( 5 A -90 )
LEU( 5 A -89 )
THR( 5 A -88 )
ALA( 5 A -87 )
ASP( 5 A -86 )
GLU( 5 A -85 )
PRO( 5 A -84 )
GLY( 5 A -83 )
LYS( 5 A -82 )
ARG( 5 A -81 )
ILE( 5 A -80 )
ALA( 5 A -79 )
TRP( 5 A -78 )
ARG( 5 A -77 )
SER( 5 A -76 )
LEU( 5 A -75 )
PRO( 5 A -74 )
GLY( 5 A -73 )
ALA( 5 A -72 )
ARG( 5 A -71 )
ILE( 5 A -70 )
GLU( 5 A -69 )
ASN( 5 A -68 )
SER( 5 A -67 )
GLY( 5 A -66 )
GLU( 5 A -65 )
VAL( 5 A -64 )
LEU( 5 A -63 )
PHE( 5 A -62 )
ARG( 5 A -61 )
PRO( 5 A -60 )
ALA( 5 A -59 )
PRO( 5 A -58 )
GLY( 5 A -57 )
ALA( 5 A -56 )
ARG( 5 A -55 )
GLY( 5 A -54 )
THR( 5 A -53 )
GLU( 5 A -52 )
VAL( 5 A -51 )
VAL( 5 A -50 )
VAL( 5 A -49 )
ARG( 5 A -48 )
LEU( 5 A -47 )
THR( 5 A -46 )
TYR( 5 A -45 )
ARG( 5 A -44 )
PRO( 5 A -43 )
PRO( 5 A -42 )
GLY( 5 A -41 )
GLY( 5 A -40 )
SER( 5 A -39 )
ALA( 5 A -38 )
GLY( 5 A -37 )
ALA( 5 A -36 )
VAL( 5 A -35 )
ILE( 5 A -34 )
ALA( 5 A -33 )
ARG( 5 A -32 )
MET( 5 A -31 )
PHE( 5 A -30 )
ASN( 5 A -29 )
GLN( 5 A -28 )
GLU( 5 A -27 )
PRO( 5 A -26 )
SER( 5 A -25 )
GLN( 5 A -24 )
GLN( 5 A -23 )
LEU( 5 A -22 )
ARG( 5 A -21 )
ASP( 5 A -20 )
ASP( 5 A -19 )
LEU( 5 A -18 )
MET( 5 A -17 )
ARG( 5 A -16 )
PHE( 5 A -15 )
LYS( 5 A -14 )
ARG( 5 A -13 )
GLU( 5 A -12 )
GLN( 5 A -11 )
GLU( 5 A -10 )
LEU( 5 A -9 )
GLY( 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-154 )
GLY( 6 A-153 )
GLU( 6 A-152 )
THR( 6 A-151 )
VAL( 6 A-150 )
VAL( 6 A-149 )
ARG( 6 A-148 )
ASP( 6 A-147 )
ALA( 6 A-146 )
VAL( 6 A-145 )
THR( 6 A-144 )
ILE( 6 A-143 )
GLY( 6 A-142 )
LYS( 6 A-141 )
PRO( 6 A-140 )
ALA( 6 A-139 )
GLU( 6 A-138 )
GLN( 6 A-137 )
LEU( 6 A-136 )
TYR( 6 A-135 )
ALA( 6 A-134 )
VAL( 6 A-133 )
TRP( 6 A-132 )
ARG( 6 A-131 )
ASP( 6 A-130 )
LEU( 6 A-129 )
PRO( 6 A-128 )
GLY( 6 A-127 )
LEU( 6 A-126 )
PRO( 6 A-125 )
LEU( 6 A-124 )
LEU( 6 A-123 )
MET( 6 A-122 )
THR( 6 A-121 )
HIS( 6 A-120 )
LEU( 6 A-119 )
ARG( 6 A-118 )
SER( 6 A-117 )
VAL( 6 A-116 )
GLU( 6 A-115 )
VAL( 6 A-114 )
LEU( 6 A-113 )
ASP( 6 A-112 )
ASP( 6 A-111 )
LYS( 6 A-110 )
ARG( 6 A-109 )
SER( 6 A-108 )
ARG( 6 A-107 )
TRP( 6 A-106 )
THR( 6 A-105 )
VAL( 6 A-104 )
GLU( 6 A-103 )
ALA( 6 A-102 )
PRO( 6 A-101 )
ALA( 6 A-100 )
PRO( 6 A -99 )
LEU( 6 A -98 )
GLY( 6 A -97 )
ALA( 6 A -96 )
VAL( 6 A -95 )
SER( 6 A -94 )
TRP( 6 A -93 )
GLU( 6 A -92 )
ALA( 6 A -91 )
GLU( 6 A -90 )
LEU( 6 A -89 )
THR( 6 A -88 )
ALA( 6 A -87 )
ASP( 6 A -86 )
GLU( 6 A -85 )
PRO( 6 A -84 )
GLY( 6 A -83 )
LYS( 6 A -82 )
ARG( 6 A -81 )
ILE( 6 A -80 )
ALA( 6 A -79 )
TRP( 6 A -78 )
ARG( 6 A -77 )
SER( 6 A -76 )
LEU( 6 A -75 )
PRO( 6 A -74 )
GLY( 6 A -73 )
ALA( 6 A -72 )
ARG( 6 A -71 )
ILE( 6 A -70 )
GLU( 6 A -69 )
ASN( 6 A -68 )
SER( 6 A -67 )
GLY( 6 A -66 )
GLU( 6 A -65 )
VAL( 6 A -64 )
LEU( 6 A -63 )
PHE( 6 A -62 )
ARG( 6 A -61 )
PRO( 6 A -60 )
ALA( 6 A -59 )
PRO( 6 A -58 )
GLY( 6 A -57 )
ALA( 6 A -56 )
ARG( 6 A -55 )
GLY( 6 A -54 )
THR( 6 A -53 )
GLU( 6 A -52 )
VAL( 6 A -51 )
VAL( 6 A -50 )
VAL( 6 A -49 )
ARG( 6 A -48 )
LEU( 6 A -47 )
THR( 6 A -46 )
TYR( 6 A -45 )
ARG( 6 A -44 )
PRO( 6 A -43 )
PRO( 6 A -42 )
GLY( 6 A -41 )
GLY( 6 A -40 )
SER( 6 A -39 )
ALA( 6 A -38 )
GLY( 6 A -37 )
ALA( 6 A -36 )
VAL( 6 A -35 )
ILE( 6 A -34 )
ALA( 6 A -33 )
ARG( 6 A -32 )
MET( 6 A -31 )
PHE( 6 A -30 )
ASN( 6 A -29 )
GLN( 6 A -28 )
GLU( 6 A -27 )
PRO( 6 A -26 )
SER( 6 A -25 )
GLN( 6 A -24 )
GLN( 6 A -23 )
LEU( 6 A -22 )
ARG( 6 A -21 )
ASP( 6 A -20 )
ASP( 6 A -19 )
LEU( 6 A -18 )
MET( 6 A -17 )
ARG( 6 A -16 )
PHE( 6 A -15 )
LYS( 6 A -14 )
ARG( 6 A -13 )
GLU( 6 A -12 )
GLN( 6 A -11 )
GLU( 6 A -10 )
LEU( 6 A -9 )
GLY( 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-154 )
GLY( 7 A-153 )
GLU( 7 A-152 )
THR( 7 A-151 )
VAL( 7 A-150 )
VAL( 7 A-149 )
ARG( 7 A-148 )
ASP( 7 A-147 )
ALA( 7 A-146 )
VAL( 7 A-145 )
THR( 7 A-144 )
ILE( 7 A-143 )
GLY( 7 A-142 )
LYS( 7 A-141 )
PRO( 7 A-140 )
ALA( 7 A-139 )
GLU( 7 A-138 )
GLN( 7 A-137 )
LEU( 7 A-136 )
TYR( 7 A-135 )
ALA( 7 A-134 )
VAL( 7 A-133 )
TRP( 7 A-132 )
ARG( 7 A-131 )
ASP( 7 A-130 )
LEU( 7 A-129 )
PRO( 7 A-128 )
GLY( 7 A-127 )
LEU( 7 A-126 )
PRO( 7 A-125 )
LEU( 7 A-124 )
LEU( 7 A-123 )
MET( 7 A-122 )
THR( 7 A-121 )
HIS( 7 A-120 )
LEU( 7 A-119 )
ARG( 7 A-118 )
SER( 7 A-117 )
VAL( 7 A-116 )
GLU( 7 A-115 )
VAL( 7 A-114 )
LEU( 7 A-113 )
ASP( 7 A-112 )
ASP( 7 A-111 )
LYS( 7 A-110 )
ARG( 7 A-109 )
SER( 7 A-108 )
ARG( 7 A-107 )
TRP( 7 A-106 )
THR( 7 A-105 )
VAL( 7 A-104 )
GLU( 7 A-103 )
ALA( 7 A-102 )
PRO( 7 A-101 )
ALA( 7 A-100 )
PRO( 7 A -99 )
LEU( 7 A -98 )
GLY( 7 A -97 )
ALA( 7 A -96 )
VAL( 7 A -95 )
SER( 7 A -94 )
TRP( 7 A -93 )
GLU( 7 A -92 )
ALA( 7 A -91 )
GLU( 7 A -90 )
LEU( 7 A -89 )
THR( 7 A -88 )
ALA( 7 A -87 )
ASP( 7 A -86 )
GLU( 7 A -85 )
PRO( 7 A -84 )
GLY( 7 A -83 )
LYS( 7 A -82 )
ARG( 7 A -81 )
ILE( 7 A -80 )
ALA( 7 A -79 )
TRP( 7 A -78 )
ARG( 7 A -77 )
SER( 7 A -76 )
LEU( 7 A -75 )
PRO( 7 A -74 )
GLY( 7 A -73 )
ALA( 7 A -72 )
ARG( 7 A -71 )
ILE( 7 A -70 )
GLU( 7 A -69 )
ASN( 7 A -68 )
SER( 7 A -67 )
GLY( 7 A -66 )
GLU( 7 A -65 )
VAL( 7 A -64 )
LEU( 7 A -63 )
PHE( 7 A -62 )
ARG( 7 A -61 )
PRO( 7 A -60 )
ALA( 7 A -59 )
PRO( 7 A -58 )
GLY( 7 A -57 )
ALA( 7 A -56 )
ARG( 7 A -55 )
GLY( 7 A -54 )
THR( 7 A -53 )
GLU( 7 A -52 )
VAL( 7 A -51 )
VAL( 7 A -50 )
VAL( 7 A -49 )
ARG( 7 A -48 )
LEU( 7 A -47 )
THR( 7 A -46 )
TYR( 7 A -45 )
ARG( 7 A -44 )
PRO( 7 A -43 )
PRO( 7 A -42 )
GLY( 7 A -41 )
GLY( 7 A -40 )
SER( 7 A -39 )
ALA( 7 A -38 )
GLY( 7 A -37 )
ALA( 7 A -36 )
VAL( 7 A -35 )
ILE( 7 A -34 )
ALA( 7 A -33 )
ARG( 7 A -32 )
MET( 7 A -31 )
PHE( 7 A -30 )
ASN( 7 A -29 )
GLN( 7 A -28 )
GLU( 7 A -27 )
PRO( 7 A -26 )
SER( 7 A -25 )
GLN( 7 A -24 )
GLN( 7 A -23 )
LEU( 7 A -22 )
ARG( 7 A -21 )
ASP( 7 A -20 )
ASP( 7 A -19 )
LEU( 7 A -18 )
MET( 7 A -17 )
ARG( 7 A -16 )
PHE( 7 A -15 )
LYS( 7 A -14 )
ARG( 7 A -13 )
GLU( 7 A -12 )
GLN( 7 A -11 )
GLU( 7 A -10 )
LEU( 7 A -9 )
GLY( 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-154 )
GLY( 8 A-153 )
GLU( 8 A-152 )
THR( 8 A-151 )
VAL( 8 A-150 )
VAL( 8 A-149 )
ARG( 8 A-148 )
ASP( 8 A-147 )
ALA( 8 A-146 )
VAL( 8 A-145 )
THR( 8 A-144 )
ILE( 8 A-143 )
GLY( 8 A-142 )
LYS( 8 A-141 )
PRO( 8 A-140 )
ALA( 8 A-139 )
GLU( 8 A-138 )
GLN( 8 A-137 )
LEU( 8 A-136 )
TYR( 8 A-135 )
ALA( 8 A-134 )
VAL( 8 A-133 )
TRP( 8 A-132 )
ARG( 8 A-131 )
ASP( 8 A-130 )
LEU( 8 A-129 )
PRO( 8 A-128 )
GLY( 8 A-127 )
LEU( 8 A-126 )
PRO( 8 A-125 )
LEU( 8 A-124 )
LEU( 8 A-123 )
MET( 8 A-122 )
THR( 8 A-121 )
HIS( 8 A-120 )
LEU( 8 A-119 )
ARG( 8 A-118 )
SER( 8 A-117 )
VAL( 8 A-116 )
GLU( 8 A-115 )
VAL( 8 A-114 )
LEU( 8 A-113 )
ASP( 8 A-112 )
ASP( 8 A-111 )
LYS( 8 A-110 )
ARG( 8 A-109 )
SER( 8 A-108 )
ARG( 8 A-107 )
TRP( 8 A-106 )
THR( 8 A-105 )
VAL( 8 A-104 )
GLU( 8 A-103 )
ALA( 8 A-102 )
PRO( 8 A-101 )
ALA( 8 A-100 )
PRO( 8 A -99 )
LEU( 8 A -98 )
GLY( 8 A -97 )
ALA( 8 A -96 )
VAL( 8 A -95 )
SER( 8 A -94 )
TRP( 8 A -93 )
GLU( 8 A -92 )
ALA( 8 A -91 )
GLU( 8 A -90 )
LEU( 8 A -89 )
THR( 8 A -88 )
ALA( 8 A -87 )
ASP( 8 A -86 )
GLU( 8 A -85 )
PRO( 8 A -84 )
GLY( 8 A -83 )
LYS( 8 A -82 )
ARG( 8 A -81 )
ILE( 8 A -80 )
ALA( 8 A -79 )
TRP( 8 A -78 )
ARG( 8 A -77 )
SER( 8 A -76 )
LEU( 8 A -75 )
PRO( 8 A -74 )
GLY( 8 A -73 )
ALA( 8 A -72 )
ARG( 8 A -71 )
ILE( 8 A -70 )
GLU( 8 A -69 )
ASN( 8 A -68 )
SER( 8 A -67 )
GLY( 8 A -66 )
GLU( 8 A -65 )
VAL( 8 A -64 )
LEU( 8 A -63 )
PHE( 8 A -62 )
ARG( 8 A -61 )
PRO( 8 A -60 )
ALA( 8 A -59 )
PRO( 8 A -58 )
GLY( 8 A -57 )
ALA( 8 A -56 )
ARG( 8 A -55 )
GLY( 8 A -54 )
THR( 8 A -53 )
GLU( 8 A -52 )
VAL( 8 A -51 )
VAL( 8 A -50 )
VAL( 8 A -49 )
ARG( 8 A -48 )
LEU( 8 A -47 )
THR( 8 A -46 )
TYR( 8 A -45 )
ARG( 8 A -44 )
PRO( 8 A -43 )
PRO( 8 A -42 )
GLY( 8 A -41 )
GLY( 8 A -40 )
SER( 8 A -39 )
ALA( 8 A -38 )
GLY( 8 A -37 )
ALA( 8 A -36 )
VAL( 8 A -35 )
ILE( 8 A -34 )
ALA( 8 A -33 )
ARG( 8 A -32 )
MET( 8 A -31 )
PHE( 8 A -30 )
ASN( 8 A -29 )
GLN( 8 A -28 )
GLU( 8 A -27 )
PRO( 8 A -26 )
SER( 8 A -25 )
GLN( 8 A -24 )
GLN( 8 A -23 )
LEU( 8 A -22 )
ARG( 8 A -21 )
ASP( 8 A -20 )
ASP( 8 A -19 )
LEU( 8 A -18 )
MET( 8 A -17 )
ARG( 8 A -16 )
PHE( 8 A -15 )
LYS( 8 A -14 )
ARG( 8 A -13 )
GLU( 8 A -12 )
GLN( 8 A -11 )
GLU( 8 A -10 )
LEU( 8 A -9 )
GLY( 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-154 )
GLY( 9 A-153 )
GLU( 9 A-152 )
THR( 9 A-151 )
VAL( 9 A-150 )
VAL( 9 A-149 )
ARG( 9 A-148 )
ASP( 9 A-147 )
ALA( 9 A-146 )
VAL( 9 A-145 )
THR( 9 A-144 )
ILE( 9 A-143 )
GLY( 9 A-142 )
LYS( 9 A-141 )
PRO( 9 A-140 )
ALA( 9 A-139 )
GLU( 9 A-138 )
GLN( 9 A-137 )
LEU( 9 A-136 )
TYR( 9 A-135 )
ALA( 9 A-134 )
VAL( 9 A-133 )
TRP( 9 A-132 )
ARG( 9 A-131 )
ASP( 9 A-130 )
LEU( 9 A-129 )
PRO( 9 A-128 )
GLY( 9 A-127 )
LEU( 9 A-126 )
PRO( 9 A-125 )
LEU( 9 A-124 )
LEU( 9 A-123 )
MET( 9 A-122 )
THR( 9 A-121 )
HIS( 9 A-120 )
LEU( 9 A-119 )
ARG( 9 A-118 )
SER( 9 A-117 )
VAL( 9 A-116 )
GLU( 9 A-115 )
VAL( 9 A-114 )
LEU( 9 A-113 )
ASP( 9 A-112 )
ASP( 9 A-111 )
LYS( 9 A-110 )
ARG( 9 A-109 )
SER( 9 A-108 )
ARG( 9 A-107 )
TRP( 9 A-106 )
THR( 9 A-105 )
VAL( 9 A-104 )
GLU( 9 A-103 )
ALA( 9 A-102 )
PRO( 9 A-101 )
ALA( 9 A-100 )
PRO( 9 A -99 )
LEU( 9 A -98 )
GLY( 9 A -97 )
ALA( 9 A -96 )
VAL( 9 A -95 )
SER( 9 A -94 )
TRP( 9 A -93 )
GLU( 9 A -92 )
ALA( 9 A -91 )
GLU( 9 A -90 )
LEU( 9 A -89 )
THR( 9 A -88 )
ALA( 9 A -87 )
ASP( 9 A -86 )
GLU( 9 A -85 )
PRO( 9 A -84 )
GLY( 9 A -83 )
LYS( 9 A -82 )
ARG( 9 A -81 )
ILE( 9 A -80 )
ALA( 9 A -79 )
TRP( 9 A -78 )
ARG( 9 A -77 )
SER( 9 A -76 )
LEU( 9 A -75 )
PRO( 9 A -74 )
GLY( 9 A -73 )
ALA( 9 A -72 )
ARG( 9 A -71 )
ILE( 9 A -70 )
GLU( 9 A -69 )
ASN( 9 A -68 )
SER( 9 A -67 )
GLY( 9 A -66 )
GLU( 9 A -65 )
VAL( 9 A -64 )
LEU( 9 A -63 )
PHE( 9 A -62 )
ARG( 9 A -61 )
PRO( 9 A -60 )
ALA( 9 A -59 )
PRO( 9 A -58 )
GLY( 9 A -57 )
ALA( 9 A -56 )
ARG( 9 A -55 )
GLY( 9 A -54 )
THR( 9 A -53 )
GLU( 9 A -52 )
VAL( 9 A -51 )
VAL( 9 A -50 )
VAL( 9 A -49 )
ARG( 9 A -48 )
LEU( 9 A -47 )
THR( 9 A -46 )
TYR( 9 A -45 )
ARG( 9 A -44 )
PRO( 9 A -43 )
PRO( 9 A -42 )
GLY( 9 A -41 )
GLY( 9 A -40 )
SER( 9 A -39 )
ALA( 9 A -38 )
GLY( 9 A -37 )
ALA( 9 A -36 )
VAL( 9 A -35 )
ILE( 9 A -34 )
ALA( 9 A -33 )
ARG( 9 A -32 )
MET( 9 A -31 )
PHE( 9 A -30 )
ASN( 9 A -29 )
GLN( 9 A -28 )
GLU( 9 A -27 )
PRO( 9 A -26 )
SER( 9 A -25 )
GLN( 9 A -24 )
GLN( 9 A -23 )
LEU( 9 A -22 )
ARG( 9 A -21 )
ASP( 9 A -20 )
ASP( 9 A -19 )
LEU( 9 A -18 )
MET( 9 A -17 )
ARG( 9 A -16 )
PHE( 9 A -15 )
LYS( 9 A -14 )
ARG( 9 A -13 )
GLU( 9 A -12 )
GLN( 9 A -11 )
GLU( 9 A -10 )
LEU( 9 A -9 )
GLY( 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-154 )
GLY( 10 A-153 )
GLU( 10 A-152 )
THR( 10 A-151 )
VAL( 10 A-150 )
VAL( 10 A-149 )
ARG( 10 A-148 )
ASP( 10 A-147 )
ALA( 10 A-146 )
VAL( 10 A-145 )
THR( 10 A-144 )
ILE( 10 A-143 )
GLY( 10 A-142 )
LYS( 10 A-141 )
PRO( 10 A-140 )
ALA( 10 A-139 )
GLU( 10 A-138 )
GLN( 10 A-137 )
LEU( 10 A-136 )
TYR( 10 A-135 )
ALA( 10 A-134 )
VAL( 10 A-133 )
TRP( 10 A-132 )
ARG( 10 A-131 )
ASP( 10 A-130 )
LEU( 10 A-129 )
PRO( 10 A-128 )
GLY( 10 A-127 )
LEU( 10 A-126 )
PRO( 10 A-125 )
LEU( 10 A-124 )
LEU( 10 A-123 )
MET( 10 A-122 )
THR( 10 A-121 )
HIS( 10 A-120 )
LEU( 10 A-119 )
ARG( 10 A-118 )
SER( 10 A-117 )
VAL( 10 A-116 )
GLU( 10 A-115 )
VAL( 10 A-114 )
LEU( 10 A-113 )
ASP( 10 A-112 )
ASP( 10 A-111 )
LYS( 10 A-110 )
ARG( 10 A-109 )
SER( 10 A-108 )
ARG( 10 A-107 )
TRP( 10 A-106 )
THR( 10 A-105 )
VAL( 10 A-104 )
GLU( 10 A-103 )
ALA( 10 A-102 )
PRO( 10 A-101 )
ALA( 10 A-100 )
PRO( 10 A -99 )
LEU( 10 A -98 )
GLY( 10 A -97 )
ALA( 10 A -96 )
VAL( 10 A -95 )
SER( 10 A -94 )
TRP( 10 A -93 )
GLU( 10 A -92 )
ALA( 10 A -91 )
GLU( 10 A -90 )
LEU( 10 A -89 )
THR( 10 A -88 )
ALA( 10 A -87 )
ASP( 10 A -86 )
GLU( 10 A -85 )
PRO( 10 A -84 )
GLY( 10 A -83 )
LYS( 10 A -82 )
ARG( 10 A -81 )
ILE( 10 A -80 )
ALA( 10 A -79 )
TRP( 10 A -78 )
ARG( 10 A -77 )
SER( 10 A -76 )
LEU( 10 A -75 )
PRO( 10 A -74 )
GLY( 10 A -73 )
ALA( 10 A -72 )
ARG( 10 A -71 )
ILE( 10 A -70 )
GLU( 10 A -69 )
ASN( 10 A -68 )
SER( 10 A -67 )
GLY( 10 A -66 )
GLU( 10 A -65 )
VAL( 10 A -64 )
LEU( 10 A -63 )
PHE( 10 A -62 )
ARG( 10 A -61 )
PRO( 10 A -60 )
ALA( 10 A -59 )
PRO( 10 A -58 )
GLY( 10 A -57 )
ALA( 10 A -56 )
ARG( 10 A -55 )
GLY( 10 A -54 )
THR( 10 A -53 )
GLU( 10 A -52 )
VAL( 10 A -51 )
VAL( 10 A -50 )
VAL( 10 A -49 )
ARG( 10 A -48 )
LEU( 10 A -47 )
THR( 10 A -46 )
TYR( 10 A -45 )
ARG( 10 A -44 )
PRO( 10 A -43 )
PRO( 10 A -42 )
GLY( 10 A -41 )
GLY( 10 A -40 )
SER( 10 A -39 )
ALA( 10 A -38 )
GLY( 10 A -37 )
ALA( 10 A -36 )
VAL( 10 A -35 )
ILE( 10 A -34 )
ALA( 10 A -33 )
ARG( 10 A -32 )
MET( 10 A -31 )
PHE( 10 A -30 )
ASN( 10 A -29 )
GLN( 10 A -28 )
GLU( 10 A -27 )
PRO( 10 A -26 )
SER( 10 A -25 )
GLN( 10 A -24 )
GLN( 10 A -23 )
LEU( 10 A -22 )
ARG( 10 A -21 )
ASP( 10 A -20 )
ASP( 10 A -19 )
LEU( 10 A -18 )
MET( 10 A -17 )
ARG( 10 A -16 )
PHE( 10 A -15 )
LYS( 10 A -14 )
ARG( 10 A -13 )
GLU( 10 A -12 )
GLN( 10 A -11 )
GLU( 10 A -10 )
LEU( 10 A -9 )
GLY( 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-154 )
GLY( 11 A-153 )
GLU( 11 A-152 )
THR( 11 A-151 )
VAL( 11 A-150 )
VAL( 11 A-149 )
ARG( 11 A-148 )
ASP( 11 A-147 )
ALA( 11 A-146 )
VAL( 11 A-145 )
THR( 11 A-144 )
ILE( 11 A-143 )
GLY( 11 A-142 )
LYS( 11 A-141 )
PRO( 11 A-140 )
ALA( 11 A-139 )
GLU( 11 A-138 )
GLN( 11 A-137 )
LEU( 11 A-136 )
TYR( 11 A-135 )
ALA( 11 A-134 )
VAL( 11 A-133 )
TRP( 11 A-132 )
ARG( 11 A-131 )
ASP( 11 A-130 )
LEU( 11 A-129 )
PRO( 11 A-128 )
GLY( 11 A-127 )
LEU( 11 A-126 )
PRO( 11 A-125 )
LEU( 11 A-124 )
LEU( 11 A-123 )
MET( 11 A-122 )
THR( 11 A-121 )
HIS( 11 A-120 )
LEU( 11 A-119 )
ARG( 11 A-118 )
SER( 11 A-117 )
VAL( 11 A-116 )
GLU( 11 A-115 )
VAL( 11 A-114 )
LEU( 11 A-113 )
ASP( 11 A-112 )
ASP( 11 A-111 )
LYS( 11 A-110 )
ARG( 11 A-109 )
SER( 11 A-108 )
ARG( 11 A-107 )
TRP( 11 A-106 )
THR( 11 A-105 )
VAL( 11 A-104 )
GLU( 11 A-103 )
ALA( 11 A-102 )
PRO( 11 A-101 )
ALA( 11 A-100 )
PRO( 11 A -99 )
LEU( 11 A -98 )
GLY( 11 A -97 )
ALA( 11 A -96 )
VAL( 11 A -95 )
SER( 11 A -94 )
TRP( 11 A -93 )
GLU( 11 A -92 )
ALA( 11 A -91 )
GLU( 11 A -90 )
LEU( 11 A -89 )
THR( 11 A -88 )
ALA( 11 A -87 )
ASP( 11 A -86 )
GLU( 11 A -85 )
PRO( 11 A -84 )
GLY( 11 A -83 )
LYS( 11 A -82 )
ARG( 11 A -81 )
ILE( 11 A -80 )
ALA( 11 A -79 )
TRP( 11 A -78 )
ARG( 11 A -77 )
SER( 11 A -76 )
LEU( 11 A -75 )
PRO( 11 A -74 )
GLY( 11 A -73 )
ALA( 11 A -72 )
ARG( 11 A -71 )
ILE( 11 A -70 )
GLU( 11 A -69 )
ASN( 11 A -68 )
SER( 11 A -67 )
GLY( 11 A -66 )
GLU( 11 A -65 )
VAL( 11 A -64 )
LEU( 11 A -63 )
PHE( 11 A -62 )
ARG( 11 A -61 )
PRO( 11 A -60 )
ALA( 11 A -59 )
PRO( 11 A -58 )
GLY( 11 A -57 )
ALA( 11 A -56 )
ARG( 11 A -55 )
GLY( 11 A -54 )
THR( 11 A -53 )
GLU( 11 A -52 )
VAL( 11 A -51 )
VAL( 11 A -50 )
VAL( 11 A -49 )
ARG( 11 A -48 )
LEU( 11 A -47 )
THR( 11 A -46 )
TYR( 11 A -45 )
ARG( 11 A -44 )
PRO( 11 A -43 )
PRO( 11 A -42 )
GLY( 11 A -41 )
GLY( 11 A -40 )
SER( 11 A -39 )
ALA( 11 A -38 )
GLY( 11 A -37 )
ALA( 11 A -36 )
VAL( 11 A -35 )
ILE( 11 A -34 )
ALA( 11 A -33 )
ARG( 11 A -32 )
MET( 11 A -31 )
PHE( 11 A -30 )
ASN( 11 A -29 )
GLN( 11 A -28 )
GLU( 11 A -27 )
PRO( 11 A -26 )
SER( 11 A -25 )
GLN( 11 A -24 )
GLN( 11 A -23 )
LEU( 11 A -22 )
ARG( 11 A -21 )
ASP( 11 A -20 )
ASP( 11 A -19 )
LEU( 11 A -18 )
MET( 11 A -17 )
ARG( 11 A -16 )
PHE( 11 A -15 )
LYS( 11 A -14 )
ARG( 11 A -13 )
GLU( 11 A -12 )
GLN( 11 A -11 )
GLU( 11 A -10 )
LEU( 11 A -9 )
GLY( 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-154 )
GLY( 12 A-153 )
GLU( 12 A-152 )
THR( 12 A-151 )
VAL( 12 A-150 )
VAL( 12 A-149 )
ARG( 12 A-148 )
ASP( 12 A-147 )
ALA( 12 A-146 )
VAL( 12 A-145 )
THR( 12 A-144 )
ILE( 12 A-143 )
GLY( 12 A-142 )
LYS( 12 A-141 )
PRO( 12 A-140 )
ALA( 12 A-139 )
GLU( 12 A-138 )
GLN( 12 A-137 )
LEU( 12 A-136 )
TYR( 12 A-135 )
ALA( 12 A-134 )
VAL( 12 A-133 )
TRP( 12 A-132 )
ARG( 12 A-131 )
ASP( 12 A-130 )
LEU( 12 A-129 )
PRO( 12 A-128 )
GLY( 12 A-127 )
LEU( 12 A-126 )
PRO( 12 A-125 )
LEU( 12 A-124 )
LEU( 12 A-123 )
MET( 12 A-122 )
THR( 12 A-121 )
HIS( 12 A-120 )
LEU( 12 A-119 )
ARG( 12 A-118 )
SER( 12 A-117 )
VAL( 12 A-116 )
GLU( 12 A-115 )
VAL( 12 A-114 )
LEU( 12 A-113 )
ASP( 12 A-112 )
ASP( 12 A-111 )
LYS( 12 A-110 )
ARG( 12 A-109 )
SER( 12 A-108 )
ARG( 12 A-107 )
TRP( 12 A-106 )
THR( 12 A-105 )
VAL( 12 A-104 )
GLU( 12 A-103 )
ALA( 12 A-102 )
PRO( 12 A-101 )
ALA( 12 A-100 )
PRO( 12 A -99 )
LEU( 12 A -98 )
GLY( 12 A -97 )
ALA( 12 A -96 )
VAL( 12 A -95 )
SER( 12 A -94 )
TRP( 12 A -93 )
GLU( 12 A -92 )
ALA( 12 A -91 )
GLU( 12 A -90 )
LEU( 12 A -89 )
THR( 12 A -88 )
ALA( 12 A -87 )
ASP( 12 A -86 )
GLU( 12 A -85 )
PRO( 12 A -84 )
GLY( 12 A -83 )
LYS( 12 A -82 )
ARG( 12 A -81 )
ILE( 12 A -80 )
ALA( 12 A -79 )
TRP( 12 A -78 )
ARG( 12 A -77 )
SER( 12 A -76 )
LEU( 12 A -75 )
PRO( 12 A -74 )
GLY( 12 A -73 )
ALA( 12 A -72 )
ARG( 12 A -71 )
ILE( 12 A -70 )
GLU( 12 A -69 )
ASN( 12 A -68 )
SER( 12 A -67 )
GLY( 12 A -66 )
GLU( 12 A -65 )
VAL( 12 A -64 )
LEU( 12 A -63 )
PHE( 12 A -62 )
ARG( 12 A -61 )
PRO( 12 A -60 )
ALA( 12 A -59 )
PRO( 12 A -58 )
GLY( 12 A -57 )
ALA( 12 A -56 )
ARG( 12 A -55 )
GLY( 12 A -54 )
THR( 12 A -53 )
GLU( 12 A -52 )
VAL( 12 A -51 )
VAL( 12 A -50 )
VAL( 12 A -49 )
ARG( 12 A -48 )
LEU( 12 A -47 )
THR( 12 A -46 )
TYR( 12 A -45 )
ARG( 12 A -44 )
PRO( 12 A -43 )
PRO( 12 A -42 )
GLY( 12 A -41 )
GLY( 12 A -40 )
SER( 12 A -39 )
ALA( 12 A -38 )
GLY( 12 A -37 )
ALA( 12 A -36 )
VAL( 12 A -35 )
ILE( 12 A -34 )
ALA( 12 A -33 )
ARG( 12 A -32 )
MET( 12 A -31 )
PHE( 12 A -30 )
ASN( 12 A -29 )
GLN( 12 A -28 )
GLU( 12 A -27 )
PRO( 12 A -26 )
SER( 12 A -25 )
GLN( 12 A -24 )
GLN( 12 A -23 )
LEU( 12 A -22 )
ARG( 12 A -21 )
ASP( 12 A -20 )
ASP( 12 A -19 )
LEU( 12 A -18 )
MET( 12 A -17 )
ARG( 12 A -16 )
PHE( 12 A -15 )
LYS( 12 A -14 )
ARG( 12 A -13 )
GLU( 12 A -12 )
GLN( 12 A -11 )
GLU( 12 A -10 )
LEU( 12 A -9 )
GLY( 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-154 )
GLY( 13 A-153 )
GLU( 13 A-152 )
THR( 13 A-151 )
VAL( 13 A-150 )
VAL( 13 A-149 )
ARG( 13 A-148 )
ASP( 13 A-147 )
ALA( 13 A-146 )
VAL( 13 A-145 )
THR( 13 A-144 )
ILE( 13 A-143 )
GLY( 13 A-142 )
LYS( 13 A-141 )
PRO( 13 A-140 )
ALA( 13 A-139 )
GLU( 13 A-138 )
GLN( 13 A-137 )
LEU( 13 A-136 )
TYR( 13 A-135 )
ALA( 13 A-134 )
VAL( 13 A-133 )
TRP( 13 A-132 )
ARG( 13 A-131 )
ASP( 13 A-130 )
LEU( 13 A-129 )
PRO( 13 A-128 )
GLY( 13 A-127 )
LEU( 13 A-126 )
PRO( 13 A-125 )
LEU( 13 A-124 )
LEU( 13 A-123 )
MET( 13 A-122 )
THR( 13 A-121 )
HIS( 13 A-120 )
LEU( 13 A-119 )
ARG( 13 A-118 )
SER( 13 A-117 )
VAL( 13 A-116 )
GLU( 13 A-115 )
VAL( 13 A-114 )
LEU( 13 A-113 )
ASP( 13 A-112 )
ASP( 13 A-111 )
LYS( 13 A-110 )
ARG( 13 A-109 )
SER( 13 A-108 )
ARG( 13 A-107 )
TRP( 13 A-106 )
THR( 13 A-105 )
VAL( 13 A-104 )
GLU( 13 A-103 )
ALA( 13 A-102 )
PRO( 13 A-101 )
ALA( 13 A-100 )
PRO( 13 A -99 )
LEU( 13 A -98 )
GLY( 13 A -97 )
ALA( 13 A -96 )
VAL( 13 A -95 )
SER( 13 A -94 )
TRP( 13 A -93 )
GLU( 13 A -92 )
ALA( 13 A -91 )
GLU( 13 A -90 )
LEU( 13 A -89 )
THR( 13 A -88 )
ALA( 13 A -87 )
ASP( 13 A -86 )
GLU( 13 A -85 )
PRO( 13 A -84 )
GLY( 13 A -83 )
LYS( 13 A -82 )
ARG( 13 A -81 )
ILE( 13 A -80 )
ALA( 13 A -79 )
TRP( 13 A -78 )
ARG( 13 A -77 )
SER( 13 A -76 )
LEU( 13 A -75 )
PRO( 13 A -74 )
GLY( 13 A -73 )
ALA( 13 A -72 )
ARG( 13 A -71 )
ILE( 13 A -70 )
GLU( 13 A -69 )
ASN( 13 A -68 )
SER( 13 A -67 )
GLY( 13 A -66 )
GLU( 13 A -65 )
VAL( 13 A -64 )
LEU( 13 A -63 )
PHE( 13 A -62 )
ARG( 13 A -61 )
PRO( 13 A -60 )
ALA( 13 A -59 )
PRO( 13 A -58 )
GLY( 13 A -57 )
ALA( 13 A -56 )
ARG( 13 A -55 )
GLY( 13 A -54 )
THR( 13 A -53 )
GLU( 13 A -52 )
VAL( 13 A -51 )
VAL( 13 A -50 )
VAL( 13 A -49 )
ARG( 13 A -48 )
LEU( 13 A -47 )
THR( 13 A -46 )
TYR( 13 A -45 )
ARG( 13 A -44 )
PRO( 13 A -43 )
PRO( 13 A -42 )
GLY( 13 A -41 )
GLY( 13 A -40 )
SER( 13 A -39 )
ALA( 13 A -38 )
GLY( 13 A -37 )
ALA( 13 A -36 )
VAL( 13 A -35 )
ILE( 13 A -34 )
ALA( 13 A -33 )
ARG( 13 A -32 )
MET( 13 A -31 )
PHE( 13 A -30 )
ASN( 13 A -29 )
GLN( 13 A -28 )
GLU( 13 A -27 )
PRO( 13 A -26 )
SER( 13 A -25 )
GLN( 13 A -24 )
GLN( 13 A -23 )
LEU( 13 A -22 )
ARG( 13 A -21 )
ASP( 13 A -20 )
ASP( 13 A -19 )
LEU( 13 A -18 )
MET( 13 A -17 )
ARG( 13 A -16 )
PHE( 13 A -15 )
LYS( 13 A -14 )
ARG( 13 A -13 )
GLU( 13 A -12 )
GLN( 13 A -11 )
GLU( 13 A -10 )
LEU( 13 A -9 )
GLY( 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-154 )
GLY( 14 A-153 )
GLU( 14 A-152 )
THR( 14 A-151 )
VAL( 14 A-150 )
VAL( 14 A-149 )
ARG( 14 A-148 )
ASP( 14 A-147 )
ALA( 14 A-146 )
VAL( 14 A-145 )
THR( 14 A-144 )
ILE( 14 A-143 )
GLY( 14 A-142 )
LYS( 14 A-141 )
PRO( 14 A-140 )
ALA( 14 A-139 )
GLU( 14 A-138 )
GLN( 14 A-137 )
LEU( 14 A-136 )
TYR( 14 A-135 )
ALA( 14 A-134 )
VAL( 14 A-133 )
TRP( 14 A-132 )
ARG( 14 A-131 )
ASP( 14 A-130 )
LEU( 14 A-129 )
PRO( 14 A-128 )
GLY( 14 A-127 )
LEU( 14 A-126 )
PRO( 14 A-125 )
LEU( 14 A-124 )
LEU( 14 A-123 )
MET( 14 A-122 )
THR( 14 A-121 )
HIS( 14 A-120 )
LEU( 14 A-119 )
ARG( 14 A-118 )
SER( 14 A-117 )
VAL( 14 A-116 )
GLU( 14 A-115 )
VAL( 14 A-114 )
LEU( 14 A-113 )
ASP( 14 A-112 )
ASP( 14 A-111 )
LYS( 14 A-110 )
ARG( 14 A-109 )
SER( 14 A-108 )
ARG( 14 A-107 )
TRP( 14 A-106 )
THR( 14 A-105 )
VAL( 14 A-104 )
GLU( 14 A-103 )
ALA( 14 A-102 )
PRO( 14 A-101 )
ALA( 14 A-100 )
PRO( 14 A -99 )
LEU( 14 A -98 )
GLY( 14 A -97 )
ALA( 14 A -96 )
VAL( 14 A -95 )
SER( 14 A -94 )
TRP( 14 A -93 )
GLU( 14 A -92 )
ALA( 14 A -91 )
GLU( 14 A -90 )
LEU( 14 A -89 )
THR( 14 A -88 )
ALA( 14 A -87 )
ASP( 14 A -86 )
GLU( 14 A -85 )
PRO( 14 A -84 )
GLY( 14 A -83 )
LYS( 14 A -82 )
ARG( 14 A -81 )
ILE( 14 A -80 )
ALA( 14 A -79 )
TRP( 14 A -78 )
ARG( 14 A -77 )
SER( 14 A -76 )
LEU( 14 A -75 )
PRO( 14 A -74 )
GLY( 14 A -73 )
ALA( 14 A -72 )
ARG( 14 A -71 )
ILE( 14 A -70 )
GLU( 14 A -69 )
ASN( 14 A -68 )
SER( 14 A -67 )
GLY( 14 A -66 )
GLU( 14 A -65 )
VAL( 14 A -64 )
LEU( 14 A -63 )
PHE( 14 A -62 )
ARG( 14 A -61 )
PRO( 14 A -60 )
ALA( 14 A -59 )
PRO( 14 A -58 )
GLY( 14 A -57 )
ALA( 14 A -56 )
ARG( 14 A -55 )
GLY( 14 A -54 )
THR( 14 A -53 )
GLU( 14 A -52 )
VAL( 14 A -51 )
VAL( 14 A -50 )
VAL( 14 A -49 )
ARG( 14 A -48 )
LEU( 14 A -47 )
THR( 14 A -46 )
TYR( 14 A -45 )
ARG( 14 A -44 )
PRO( 14 A -43 )
PRO( 14 A -42 )
GLY( 14 A -41 )
GLY( 14 A -40 )
SER( 14 A -39 )
ALA( 14 A -38 )
GLY( 14 A -37 )
ALA( 14 A -36 )
VAL( 14 A -35 )
ILE( 14 A -34 )
ALA( 14 A -33 )
ARG( 14 A -32 )
MET( 14 A -31 )
PHE( 14 A -30 )
ASN( 14 A -29 )
GLN( 14 A -28 )
GLU( 14 A -27 )
PRO( 14 A -26 )
SER( 14 A -25 )
GLN( 14 A -24 )
GLN( 14 A -23 )
LEU( 14 A -22 )
ARG( 14 A -21 )
ASP( 14 A -20 )
ASP( 14 A -19 )
LEU( 14 A -18 )
MET( 14 A -17 )
ARG( 14 A -16 )
PHE( 14 A -15 )
LYS( 14 A -14 )
ARG( 14 A -13 )
GLU( 14 A -12 )
GLN( 14 A -11 )
GLU( 14 A -10 )
LEU( 14 A -9 )
GLY( 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-154 )
GLY( 15 A-153 )
GLU( 15 A-152 )
THR( 15 A-151 )
VAL( 15 A-150 )
VAL( 15 A-149 )
ARG( 15 A-148 )
ASP( 15 A-147 )
ALA( 15 A-146 )
VAL( 15 A-145 )
THR( 15 A-144 )
ILE( 15 A-143 )
GLY( 15 A-142 )
LYS( 15 A-141 )
PRO( 15 A-140 )
ALA( 15 A-139 )
GLU( 15 A-138 )
GLN( 15 A-137 )
LEU( 15 A-136 )
TYR( 15 A-135 )
ALA( 15 A-134 )
VAL( 15 A-133 )
TRP( 15 A-132 )
ARG( 15 A-131 )
ASP( 15 A-130 )
LEU( 15 A-129 )
PRO( 15 A-128 )
GLY( 15 A-127 )
LEU( 15 A-126 )
PRO( 15 A-125 )
LEU( 15 A-124 )
LEU( 15 A-123 )
MET( 15 A-122 )
THR( 15 A-121 )
HIS( 15 A-120 )
LEU( 15 A-119 )
ARG( 15 A-118 )
SER( 15 A-117 )
VAL( 15 A-116 )
GLU( 15 A-115 )
VAL( 15 A-114 )
LEU( 15 A-113 )
ASP( 15 A-112 )
ASP( 15 A-111 )
LYS( 15 A-110 )
ARG( 15 A-109 )
SER( 15 A-108 )
ARG( 15 A-107 )
TRP( 15 A-106 )
THR( 15 A-105 )
VAL( 15 A-104 )
GLU( 15 A-103 )
ALA( 15 A-102 )
PRO( 15 A-101 )
ALA( 15 A-100 )
PRO( 15 A -99 )
LEU( 15 A -98 )
GLY( 15 A -97 )
ALA( 15 A -96 )
VAL( 15 A -95 )
SER( 15 A -94 )
TRP( 15 A -93 )
GLU( 15 A -92 )
ALA( 15 A -91 )
GLU( 15 A -90 )
LEU( 15 A -89 )
THR( 15 A -88 )
ALA( 15 A -87 )
ASP( 15 A -86 )
GLU( 15 A -85 )
PRO( 15 A -84 )
GLY( 15 A -83 )
LYS( 15 A -82 )
ARG( 15 A -81 )
ILE( 15 A -80 )
ALA( 15 A -79 )
TRP( 15 A -78 )
ARG( 15 A -77 )
SER( 15 A -76 )
LEU( 15 A -75 )
PRO( 15 A -74 )
GLY( 15 A -73 )
ALA( 15 A -72 )
ARG( 15 A -71 )
ILE( 15 A -70 )
GLU( 15 A -69 )
ASN( 15 A -68 )
SER( 15 A -67 )
GLY( 15 A -66 )
GLU( 15 A -65 )
VAL( 15 A -64 )
LEU( 15 A -63 )
PHE( 15 A -62 )
ARG( 15 A -61 )
PRO( 15 A -60 )
ALA( 15 A -59 )
PRO( 15 A -58 )
GLY( 15 A -57 )
ALA( 15 A -56 )
ARG( 15 A -55 )
GLY( 15 A -54 )
THR( 15 A -53 )
GLU( 15 A -52 )
VAL( 15 A -51 )
VAL( 15 A -50 )
VAL( 15 A -49 )
ARG( 15 A -48 )
LEU( 15 A -47 )
THR( 15 A -46 )
TYR( 15 A -45 )
ARG( 15 A -44 )
PRO( 15 A -43 )
PRO( 15 A -42 )
GLY( 15 A -41 )
GLY( 15 A -40 )
SER( 15 A -39 )
ALA( 15 A -38 )
GLY( 15 A -37 )
ALA( 15 A -36 )
VAL( 15 A -35 )
ILE( 15 A -34 )
ALA( 15 A -33 )
ARG( 15 A -32 )
MET( 15 A -31 )
PHE( 15 A -30 )
ASN( 15 A -29 )
GLN( 15 A -28 )
GLU( 15 A -27 )
PRO( 15 A -26 )
SER( 15 A -25 )
GLN( 15 A -24 )
GLN( 15 A -23 )
LEU( 15 A -22 )
ARG( 15 A -21 )
ASP( 15 A -20 )
ASP( 15 A -19 )
LEU( 15 A -18 )
MET( 15 A -17 )
ARG( 15 A -16 )
PHE( 15 A -15 )
LYS( 15 A -14 )
ARG( 15 A -13 )
GLU( 15 A -12 )
GLN( 15 A -11 )
GLU( 15 A -10 )
LEU( 15 A -9 )
GLY( 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-154 )
GLY( 16 A-153 )
GLU( 16 A-152 )
THR( 16 A-151 )
VAL( 16 A-150 )
VAL( 16 A-149 )
ARG( 16 A-148 )
ASP( 16 A-147 )
ALA( 16 A-146 )
VAL( 16 A-145 )
THR( 16 A-144 )
ILE( 16 A-143 )
GLY( 16 A-142 )
LYS( 16 A-141 )
PRO( 16 A-140 )
ALA( 16 A-139 )
GLU( 16 A-138 )
GLN( 16 A-137 )
LEU( 16 A-136 )
TYR( 16 A-135 )
ALA( 16 A-134 )
VAL( 16 A-133 )
TRP( 16 A-132 )
ARG( 16 A-131 )
ASP( 16 A-130 )
LEU( 16 A-129 )
PRO( 16 A-128 )
GLY( 16 A-127 )
LEU( 16 A-126 )
PRO( 16 A-125 )
LEU( 16 A-124 )
LEU( 16 A-123 )
MET( 16 A-122 )
THR( 16 A-121 )
HIS( 16 A-120 )
LEU( 16 A-119 )
ARG( 16 A-118 )
SER( 16 A-117 )
VAL( 16 A-116 )
GLU( 16 A-115 )
VAL( 16 A-114 )
LEU( 16 A-113 )
ASP( 16 A-112 )
ASP( 16 A-111 )
LYS( 16 A-110 )
ARG( 16 A-109 )
SER( 16 A-108 )
ARG( 16 A-107 )
TRP( 16 A-106 )
THR( 16 A-105 )
VAL( 16 A-104 )
GLU( 16 A-103 )
ALA( 16 A-102 )
PRO( 16 A-101 )
ALA( 16 A-100 )
PRO( 16 A -99 )
LEU( 16 A -98 )
GLY( 16 A -97 )
ALA( 16 A -96 )
VAL( 16 A -95 )
SER( 16 A -94 )
TRP( 16 A -93 )
GLU( 16 A -92 )
ALA( 16 A -91 )
GLU( 16 A -90 )
LEU( 16 A -89 )
THR( 16 A -88 )
ALA( 16 A -87 )
ASP( 16 A -86 )
GLU( 16 A -85 )
PRO( 16 A -84 )
GLY( 16 A -83 )
LYS( 16 A -82 )
ARG( 16 A -81 )
ILE( 16 A -80 )
ALA( 16 A -79 )
TRP( 16 A -78 )
ARG( 16 A -77 )
SER( 16 A -76 )
LEU( 16 A -75 )
PRO( 16 A -74 )
GLY( 16 A -73 )
ALA( 16 A -72 )
ARG( 16 A -71 )
ILE( 16 A -70 )
GLU( 16 A -69 )
ASN( 16 A -68 )
SER( 16 A -67 )
GLY( 16 A -66 )
GLU( 16 A -65 )
VAL( 16 A -64 )
LEU( 16 A -63 )
PHE( 16 A -62 )
ARG( 16 A -61 )
PRO( 16 A -60 )
ALA( 16 A -59 )
PRO( 16 A -58 )
GLY( 16 A -57 )
ALA( 16 A -56 )
ARG( 16 A -55 )
GLY( 16 A -54 )
THR( 16 A -53 )
GLU( 16 A -52 )
VAL( 16 A -51 )
VAL( 16 A -50 )
VAL( 16 A -49 )
ARG( 16 A -48 )
LEU( 16 A -47 )
THR( 16 A -46 )
TYR( 16 A -45 )
ARG( 16 A -44 )
PRO( 16 A -43 )
PRO( 16 A -42 )
GLY( 16 A -41 )
GLY( 16 A -40 )
SER( 16 A -39 )
ALA( 16 A -38 )
GLY( 16 A -37 )
ALA( 16 A -36 )
VAL( 16 A -35 )
ILE( 16 A -34 )
ALA( 16 A -33 )
ARG( 16 A -32 )
MET( 16 A -31 )
PHE( 16 A -30 )
ASN( 16 A -29 )
GLN( 16 A -28 )
GLU( 16 A -27 )
PRO( 16 A -26 )
SER( 16 A -25 )
GLN( 16 A -24 )
GLN( 16 A -23 )
LEU( 16 A -22 )
ARG( 16 A -21 )
ASP( 16 A -20 )
ASP( 16 A -19 )
LEU( 16 A -18 )
MET( 16 A -17 )
ARG( 16 A -16 )
PHE( 16 A -15 )
LYS( 16 A -14 )
ARG( 16 A -13 )
GLU( 16 A -12 )
GLN( 16 A -11 )
GLU( 16 A -10 )
LEU( 16 A -9 )
GLY( 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-154 )
GLY( 17 A-153 )
GLU( 17 A-152 )
THR( 17 A-151 )
VAL( 17 A-150 )
VAL( 17 A-149 )
ARG( 17 A-148 )
ASP( 17 A-147 )
ALA( 17 A-146 )
VAL( 17 A-145 )
THR( 17 A-144 )
ILE( 17 A-143 )
GLY( 17 A-142 )
LYS( 17 A-141 )
PRO( 17 A-140 )
ALA( 17 A-139 )
GLU( 17 A-138 )
GLN( 17 A-137 )
LEU( 17 A-136 )
TYR( 17 A-135 )
ALA( 17 A-134 )
VAL( 17 A-133 )
TRP( 17 A-132 )
ARG( 17 A-131 )
ASP( 17 A-130 )
LEU( 17 A-129 )
PRO( 17 A-128 )
GLY( 17 A-127 )
LEU( 17 A-126 )
PRO( 17 A-125 )
LEU( 17 A-124 )
LEU( 17 A-123 )
MET( 17 A-122 )
THR( 17 A-121 )
HIS( 17 A-120 )
LEU( 17 A-119 )
ARG( 17 A-118 )
SER( 17 A-117 )
VAL( 17 A-116 )
GLU( 17 A-115 )
VAL( 17 A-114 )
LEU( 17 A-113 )
ASP( 17 A-112 )
ASP( 17 A-111 )
LYS( 17 A-110 )
ARG( 17 A-109 )
SER( 17 A-108 )
ARG( 17 A-107 )
TRP( 17 A-106 )
THR( 17 A-105 )
VAL( 17 A-104 )
GLU( 17 A-103 )
ALA( 17 A-102 )
PRO( 17 A-101 )
ALA( 17 A-100 )
PRO( 17 A -99 )
LEU( 17 A -98 )
GLY( 17 A -97 )
ALA( 17 A -96 )
VAL( 17 A -95 )
SER( 17 A -94 )
TRP( 17 A -93 )
GLU( 17 A -92 )
ALA( 17 A -91 )
GLU( 17 A -90 )
LEU( 17 A -89 )
THR( 17 A -88 )
ALA( 17 A -87 )
ASP( 17 A -86 )
GLU( 17 A -85 )
PRO( 17 A -84 )
GLY( 17 A -83 )
LYS( 17 A -82 )
ARG( 17 A -81 )
ILE( 17 A -80 )
ALA( 17 A -79 )
TRP( 17 A -78 )
ARG( 17 A -77 )
SER( 17 A -76 )
LEU( 17 A -75 )
PRO( 17 A -74 )
GLY( 17 A -73 )
ALA( 17 A -72 )
ARG( 17 A -71 )
ILE( 17 A -70 )
GLU( 17 A -69 )
ASN( 17 A -68 )
SER( 17 A -67 )
GLY( 17 A -66 )
GLU( 17 A -65 )
VAL( 17 A -64 )
LEU( 17 A -63 )
PHE( 17 A -62 )
ARG( 17 A -61 )
PRO( 17 A -60 )
ALA( 17 A -59 )
PRO( 17 A -58 )
GLY( 17 A -57 )
ALA( 17 A -56 )
ARG( 17 A -55 )
GLY( 17 A -54 )
THR( 17 A -53 )
GLU( 17 A -52 )
VAL( 17 A -51 )
VAL( 17 A -50 )
VAL( 17 A -49 )
ARG( 17 A -48 )
LEU( 17 A -47 )
THR( 17 A -46 )
TYR( 17 A -45 )
ARG( 17 A -44 )
PRO( 17 A -43 )
PRO( 17 A -42 )
GLY( 17 A -41 )
GLY( 17 A -40 )
SER( 17 A -39 )
ALA( 17 A -38 )
GLY( 17 A -37 )
ALA( 17 A -36 )
VAL( 17 A -35 )
ILE( 17 A -34 )
ALA( 17 A -33 )
ARG( 17 A -32 )
MET( 17 A -31 )
PHE( 17 A -30 )
ASN( 17 A -29 )
GLN( 17 A -28 )
GLU( 17 A -27 )
PRO( 17 A -26 )
SER( 17 A -25 )
GLN( 17 A -24 )
GLN( 17 A -23 )
LEU( 17 A -22 )
ARG( 17 A -21 )
ASP( 17 A -20 )
ASP( 17 A -19 )
LEU( 17 A -18 )
MET( 17 A -17 )
ARG( 17 A -16 )
PHE( 17 A -15 )
LYS( 17 A -14 )
ARG( 17 A -13 )
GLU( 17 A -12 )
GLN( 17 A -11 )
GLU( 17 A -10 )
LEU( 17 A -9 )
GLY( 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-154 )
GLY( 18 A-153 )
GLU( 18 A-152 )
THR( 18 A-151 )
VAL( 18 A-150 )
VAL( 18 A-149 )
ARG( 18 A-148 )
ASP( 18 A-147 )
ALA( 18 A-146 )
VAL( 18 A-145 )
THR( 18 A-144 )
ILE( 18 A-143 )
GLY( 18 A-142 )
LYS( 18 A-141 )
PRO( 18 A-140 )
ALA( 18 A-139 )
GLU( 18 A-138 )
GLN( 18 A-137 )
LEU( 18 A-136 )
TYR( 18 A-135 )
ALA( 18 A-134 )
VAL( 18 A-133 )
TRP( 18 A-132 )
ARG( 18 A-131 )
ASP( 18 A-130 )
LEU( 18 A-129 )
PRO( 18 A-128 )
GLY( 18 A-127 )
LEU( 18 A-126 )
PRO( 18 A-125 )
LEU( 18 A-124 )
LEU( 18 A-123 )
MET( 18 A-122 )
THR( 18 A-121 )
HIS( 18 A-120 )
LEU( 18 A-119 )
ARG( 18 A-118 )
SER( 18 A-117 )
VAL( 18 A-116 )
GLU( 18 A-115 )
VAL( 18 A-114 )
LEU( 18 A-113 )
ASP( 18 A-112 )
ASP( 18 A-111 )
LYS( 18 A-110 )
ARG( 18 A-109 )
SER( 18 A-108 )
ARG( 18 A-107 )
TRP( 18 A-106 )
THR( 18 A-105 )
VAL( 18 A-104 )
GLU( 18 A-103 )
ALA( 18 A-102 )
PRO( 18 A-101 )
ALA( 18 A-100 )
PRO( 18 A -99 )
LEU( 18 A -98 )
GLY( 18 A -97 )
ALA( 18 A -96 )
VAL( 18 A -95 )
SER( 18 A -94 )
TRP( 18 A -93 )
GLU( 18 A -92 )
ALA( 18 A -91 )
GLU( 18 A -90 )
LEU( 18 A -89 )
THR( 18 A -88 )
ALA( 18 A -87 )
ASP( 18 A -86 )
GLU( 18 A -85 )
PRO( 18 A -84 )
GLY( 18 A -83 )
LYS( 18 A -82 )
ARG( 18 A -81 )
ILE( 18 A -80 )
ALA( 18 A -79 )
TRP( 18 A -78 )
ARG( 18 A -77 )
SER( 18 A -76 )
LEU( 18 A -75 )
PRO( 18 A -74 )
GLY( 18 A -73 )
ALA( 18 A -72 )
ARG( 18 A -71 )
ILE( 18 A -70 )
GLU( 18 A -69 )
ASN( 18 A -68 )
SER( 18 A -67 )
GLY( 18 A -66 )
GLU( 18 A -65 )
VAL( 18 A -64 )
LEU( 18 A -63 )
PHE( 18 A -62 )
ARG( 18 A -61 )
PRO( 18 A -60 )
ALA( 18 A -59 )
PRO( 18 A -58 )
GLY( 18 A -57 )
ALA( 18 A -56 )
ARG( 18 A -55 )
GLY( 18 A -54 )
THR( 18 A -53 )
GLU( 18 A -52 )
VAL( 18 A -51 )
VAL( 18 A -50 )
VAL( 18 A -49 )
ARG( 18 A -48 )
LEU( 18 A -47 )
THR( 18 A -46 )
TYR( 18 A -45 )
ARG( 18 A -44 )
PRO( 18 A -43 )
PRO( 18 A -42 )
GLY( 18 A -41 )
GLY( 18 A -40 )
SER( 18 A -39 )
ALA( 18 A -38 )
GLY( 18 A -37 )
ALA( 18 A -36 )
VAL( 18 A -35 )
ILE( 18 A -34 )
ALA( 18 A -33 )
ARG( 18 A -32 )
MET( 18 A -31 )
PHE( 18 A -30 )
ASN( 18 A -29 )
GLN( 18 A -28 )
GLU( 18 A -27 )
PRO( 18 A -26 )
SER( 18 A -25 )
GLN( 18 A -24 )
GLN( 18 A -23 )
LEU( 18 A -22 )
ARG( 18 A -21 )
ASP( 18 A -20 )
ASP( 18 A -19 )
LEU( 18 A -18 )
MET( 18 A -17 )
ARG( 18 A -16 )
PHE( 18 A -15 )
LYS( 18 A -14 )
ARG( 18 A -13 )
GLU( 18 A -12 )
GLN( 18 A -11 )
GLU( 18 A -10 )
LEU( 18 A -9 )
GLY( 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-154 )
GLY( 19 A-153 )
GLU( 19 A-152 )
THR( 19 A-151 )
VAL( 19 A-150 )
VAL( 19 A-149 )
ARG( 19 A-148 )
ASP( 19 A-147 )
ALA( 19 A-146 )
VAL( 19 A-145 )
THR( 19 A-144 )
ILE( 19 A-143 )
GLY( 19 A-142 )
LYS( 19 A-141 )
PRO( 19 A-140 )
ALA( 19 A-139 )
GLU( 19 A-138 )
GLN( 19 A-137 )
LEU( 19 A-136 )
TYR( 19 A-135 )
ALA( 19 A-134 )
VAL( 19 A-133 )
TRP( 19 A-132 )
ARG( 19 A-131 )
ASP( 19 A-130 )
LEU( 19 A-129 )
PRO( 19 A-128 )
GLY( 19 A-127 )
LEU( 19 A-126 )
PRO( 19 A-125 )
LEU( 19 A-124 )
LEU( 19 A-123 )
MET( 19 A-122 )
THR( 19 A-121 )
HIS( 19 A-120 )
LEU( 19 A-119 )
ARG( 19 A-118 )
SER( 19 A-117 )
VAL( 19 A-116 )
GLU( 19 A-115 )
VAL( 19 A-114 )
LEU( 19 A-113 )
ASP( 19 A-112 )
ASP( 19 A-111 )
LYS( 19 A-110 )
ARG( 19 A-109 )
SER( 19 A-108 )
ARG( 19 A-107 )
TRP( 19 A-106 )
THR( 19 A-105 )
VAL( 19 A-104 )
GLU( 19 A-103 )
ALA( 19 A-102 )
PRO( 19 A-101 )
ALA( 19 A-100 )
PRO( 19 A -99 )
LEU( 19 A -98 )
GLY( 19 A -97 )
ALA( 19 A -96 )
VAL( 19 A -95 )
SER( 19 A -94 )
TRP( 19 A -93 )
GLU( 19 A -92 )
ALA( 19 A -91 )
GLU( 19 A -90 )
LEU( 19 A -89 )
THR( 19 A -88 )
ALA( 19 A -87 )
ASP( 19 A -86 )
GLU( 19 A -85 )
PRO( 19 A -84 )
GLY( 19 A -83 )
LYS( 19 A -82 )
ARG( 19 A -81 )
ILE( 19 A -80 )
ALA( 19 A -79 )
TRP( 19 A -78 )
ARG( 19 A -77 )
SER( 19 A -76 )
LEU( 19 A -75 )
PRO( 19 A -74 )
GLY( 19 A -73 )
ALA( 19 A -72 )
ARG( 19 A -71 )
ILE( 19 A -70 )
GLU( 19 A -69 )
ASN( 19 A -68 )
SER( 19 A -67 )
GLY( 19 A -66 )
GLU( 19 A -65 )
VAL( 19 A -64 )
LEU( 19 A -63 )
PHE( 19 A -62 )
ARG( 19 A -61 )
PRO( 19 A -60 )
ALA( 19 A -59 )
PRO( 19 A -58 )
GLY( 19 A -57 )
ALA( 19 A -56 )
ARG( 19 A -55 )
GLY( 19 A -54 )
THR( 19 A -53 )
GLU( 19 A -52 )
VAL( 19 A -51 )
VAL( 19 A -50 )
VAL( 19 A -49 )
ARG( 19 A -48 )
LEU( 19 A -47 )
THR( 19 A -46 )
TYR( 19 A -45 )
ARG( 19 A -44 )
PRO( 19 A -43 )
PRO( 19 A -42 )
GLY( 19 A -41 )
GLY( 19 A -40 )
SER( 19 A -39 )
ALA( 19 A -38 )
GLY( 19 A -37 )
ALA( 19 A -36 )
VAL( 19 A -35 )
ILE( 19 A -34 )
ALA( 19 A -33 )
ARG( 19 A -32 )
MET( 19 A -31 )
PHE( 19 A -30 )
ASN( 19 A -29 )
GLN( 19 A -28 )
GLU( 19 A -27 )
PRO( 19 A -26 )
SER( 19 A -25 )
GLN( 19 A -24 )
GLN( 19 A -23 )
LEU( 19 A -22 )
ARG( 19 A -21 )
ASP( 19 A -20 )
ASP( 19 A -19 )
LEU( 19 A -18 )
MET( 19 A -17 )
ARG( 19 A -16 )
PHE( 19 A -15 )
LYS( 19 A -14 )
ARG( 19 A -13 )
GLU( 19 A -12 )
GLN( 19 A -11 )
GLU( 19 A -10 )
LEU( 19 A -9 )
GLY( 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-154 )
GLY( 20 A-153 )
GLU( 20 A-152 )
THR( 20 A-151 )
VAL( 20 A-150 )
VAL( 20 A-149 )
ARG( 20 A-148 )
ASP( 20 A-147 )
ALA( 20 A-146 )
VAL( 20 A-145 )
THR( 20 A-144 )
ILE( 20 A-143 )
GLY( 20 A-142 )
LYS( 20 A-141 )
PRO( 20 A-140 )
ALA( 20 A-139 )
GLU( 20 A-138 )
GLN( 20 A-137 )
LEU( 20 A-136 )
TYR( 20 A-135 )
ALA( 20 A-134 )
VAL( 20 A-133 )
TRP( 20 A-132 )
ARG( 20 A-131 )
ASP( 20 A-130 )
LEU( 20 A-129 )
PRO( 20 A-128 )
GLY( 20 A-127 )
LEU( 20 A-126 )
PRO( 20 A-125 )
LEU( 20 A-124 )
LEU( 20 A-123 )
MET( 20 A-122 )
THR( 20 A-121 )
HIS( 20 A-120 )
LEU( 20 A-119 )
ARG( 20 A-118 )
SER( 20 A-117 )
VAL( 20 A-116 )
GLU( 20 A-115 )
VAL( 20 A-114 )
LEU( 20 A-113 )
ASP( 20 A-112 )
ASP( 20 A-111 )
LYS( 20 A-110 )
ARG( 20 A-109 )
SER( 20 A-108 )
ARG( 20 A-107 )
TRP( 20 A-106 )
THR( 20 A-105 )
VAL( 20 A-104 )
GLU( 20 A-103 )
ALA( 20 A-102 )
PRO( 20 A-101 )
ALA( 20 A-100 )
PRO( 20 A -99 )
LEU( 20 A -98 )
GLY( 20 A -97 )
ALA( 20 A -96 )
VAL( 20 A -95 )
SER( 20 A -94 )
TRP( 20 A -93 )
GLU( 20 A -92 )
ALA( 20 A -91 )
GLU( 20 A -90 )
LEU( 20 A -89 )
THR( 20 A -88 )
ALA( 20 A -87 )
ASP( 20 A -86 )
GLU( 20 A -85 )
PRO( 20 A -84 )
GLY( 20 A -83 )
LYS( 20 A -82 )
ARG( 20 A -81 )
ILE( 20 A -80 )
ALA( 20 A -79 )
TRP( 20 A -78 )
ARG( 20 A -77 )
SER( 20 A -76 )
LEU( 20 A -75 )
PRO( 20 A -74 )
GLY( 20 A -73 )
ALA( 20 A -72 )
ARG( 20 A -71 )
ILE( 20 A -70 )
GLU( 20 A -69 )
ASN( 20 A -68 )
SER( 20 A -67 )
GLY( 20 A -66 )
GLU( 20 A -65 )
VAL( 20 A -64 )
LEU( 20 A -63 )
PHE( 20 A -62 )
ARG( 20 A -61 )
PRO( 20 A -60 )
ALA( 20 A -59 )
PRO( 20 A -58 )
GLY( 20 A -57 )
ALA( 20 A -56 )
ARG( 20 A -55 )
GLY( 20 A -54 )
THR( 20 A -53 )
GLU( 20 A -52 )
VAL( 20 A -51 )
VAL( 20 A -50 )
VAL( 20 A -49 )
ARG( 20 A -48 )
LEU( 20 A -47 )
THR( 20 A -46 )
TYR( 20 A -45 )
ARG( 20 A -44 )
PRO( 20 A -43 )
PRO( 20 A -42 )
GLY( 20 A -41 )
GLY( 20 A -40 )
SER( 20 A -39 )
ALA( 20 A -38 )
GLY( 20 A -37 )
ALA( 20 A -36 )
VAL( 20 A -35 )
ILE( 20 A -34 )
ALA( 20 A -33 )
ARG( 20 A -32 )
MET( 20 A -31 )
PHE( 20 A -30 )
ASN( 20 A -29 )
GLN( 20 A -28 )
GLU( 20 A -27 )
PRO( 20 A -26 )
SER( 20 A -25 )
GLN( 20 A -24 )
GLN( 20 A -23 )
LEU( 20 A -22 )
ARG( 20 A -21 )
ASP( 20 A -20 )
ASP( 20 A -19 )
LEU( 20 A -18 )
MET( 20 A -17 )
ARG( 20 A -16 )
PHE( 20 A -15 )
LYS( 20 A -14 )
ARG( 20 A -13 )
GLU( 20 A -12 )
GLN( 20 A -11 )
GLU( 20 A -10 )
LEU( 20 A -9 )
GLY( 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 GLY GLU THR VAL VAL ARG ASP ALA VAL THR ILE GLY LYS PRO
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
16 30
SEQRES: ALA GLU GLN LEU TYR ALA VAL TRP ARG ASP LEU PRO GLY LEU PRO
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
31 45
SEQRES: LEU LEU MET THR HIS LEU ARG SER VAL GLU VAL LEU ASP ASP LYS
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
46 60
SEQRES: ARG SER ARG TRP THR VAL GLU ALA PRO ALA PRO LEU GLY ALA VAL
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
61 75
SEQRES: SER TRP GLU ALA GLU LEU THR ALA ASP GLU PRO GLY LYS ARG ILE
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
76 90
SEQRES: ALA TRP ARG SER LEU PRO GLY ALA ARG ILE GLU ASN SER GLY GLU
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
91 105
SEQRES: VAL LEU PHE ARG PRO ALA PRO GLY ALA ARG GLY THR GLU VAL VAL
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
106 120
SEQRES: VAL ARG LEU THR TYR ARG PRO PRO GLY GLY SER ALA GLY ALA VAL
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
121 135
SEQRES: ILE ALA ARG MET PHE ASN GLN GLU PRO SER GLN GLN LEU ARG ASP
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
136 150
SEQRES: ASP LEU MET ARG PHE LYS ARG GLU GLN GLU LEU GLY LEU GLU HIS
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
151 165
SEQRES: HIS HIS HIS HIS HIS MET GLY GLU THR VAL VAL ARG ASP ALA VAL
COORDS: ... ... ... ... ... MET GLY GLU THR VAL VAL ARG ASP ALA VAL
1 10
166 180
SEQRES: THR ILE GLY LYS PRO ALA GLU GLN LEU TYR ALA VAL TRP ARG ASP
COORDS: THR ILE GLY LYS PRO ALA GLU GLN LEU TYR ALA VAL TRP ARG ASP
11 25
181 195
SEQRES: LEU PRO GLY LEU PRO LEU LEU MET THR HIS LEU ARG SER VAL GLU
COORDS: LEU PRO GLY LEU PRO LEU LEU MET THR HIS LEU ARG SER VAL GLU
26 40
196 210
SEQRES: VAL LEU ASP ASP LYS ARG SER ARG TRP THR VAL GLU ALA PRO ALA
COORDS: VAL LEU ASP ASP LYS ARG SER ARG TRP THR VAL GLU ALA PRO ALA
41 55
211 225
SEQRES: PRO LEU GLY ALA VAL SER TRP GLU ALA GLU LEU THR ALA ASP GLU
COORDS: PRO LEU GLY ALA VAL SER TRP GLU ALA GLU LEU THR ALA ASP GLU
56 70
226 240
SEQRES: PRO GLY LYS ARG ILE ALA TRP ARG SER LEU PRO GLY ALA ARG ILE
COORDS: PRO GLY LYS ARG ILE ALA TRP ARG SER LEU PRO GLY ALA ARG ILE
71 85
241 255
SEQRES: GLU ASN SER GLY GLU VAL LEU PHE ARG PRO ALA PRO GLY ALA ARG
COORDS: GLU ASN SER GLY GLU VAL LEU PHE ARG PRO ALA PRO GLY ALA ARG
86 100
256 270
SEQRES: GLY THR GLU VAL VAL VAL ARG LEU THR TYR ARG PRO PRO GLY GLY
COORDS: GLY THR GLU VAL VAL VAL ARG LEU THR TYR ARG PRO PRO GLY GLY
101 115
271 285
SEQRES: SER ALA GLY ALA VAL ILE ALA ARG MET PHE ASN GLN GLU PRO SER
COORDS: SER ALA GLY ALA VAL ILE ALA ARG MET PHE ASN GLN GLU PRO SER
116 130
286 300
SEQRES: GLN GLN LEU ARG ASP ASP LEU MET ARG PHE LYS ARG GLU GLN GLU
COORDS: GLN GLN LEU ARG ASP ASP LEU MET ARG PHE LYS ARG GLU GLN GLU
131 145
301 310
SEQRES: LEU GLY LEU GLU HIS HIS HIS HIS HIS HIS
COORDS: LEU GLY LEU GLU HIS HIS HIS HIS HIS HIS
146 155
==> The following residues have missing atoms:
RES MOD#C SEQ ATOMS
GLU( 1 A 3) HE2
ASP( 1 A 8) HD2
GLU( 1 A 17) HE2
ASP( 1 A 25) HD2
HIS( 1 A 35) HE2
GLU( 1 A 40) HE2
ASP( 1 A 43) HD2
ASP( 1 A 44) HD2
GLU( 1 A 52) HE2
GLU( 1 A 63) HE2
GLU( 1 A 65) HE2
ASP( 1 A 69) HD2
GLU( 1 A 70) HE2
GLU( 1 A 86) HE2
GLU( 1 A 90) HE2
GLU( 1 A 103) HE2
GLU( 1 A 128) HE2
ASP( 1 A 135) HD2
ASP( 1 A 136) HD2
GLU( 1 A 143) HE2
GLU( 1 A 145) HE2
GLU( 1 A 149) HE2
HIS( 1 A 150) HD1
HIS( 1 A 151) HD1
HIS( 1 A 152) HE2
HIS( 1 A 153) HD1
HIS( 1 A 154) HD1
HIS( 1 A 155) HE2
GLU( 2 A 3) HE2
ASP( 2 A 8) HD2
GLU( 2 A 17) HE2
ASP( 2 A 25) HD2
HIS( 2 A 35) HD1
GLU( 2 A 40) HE2
ASP( 2 A 43) HD2
ASP( 2 A 44) HD2
GLU( 2 A 52) HE2
GLU( 2 A 63) HE2
GLU( 2 A 65) HE2
ASP( 2 A 69) HD2
GLU( 2 A 70) HE2
GLU( 2 A 86) HE2
GLU( 2 A 90) HE2
GLU( 2 A 103) HE2
GLU( 2 A 128) HE2
ASP( 2 A 135) HD2
ASP( 2 A 136) HD2
GLU( 2 A 143) HE2
GLU( 2 A 145) HE2
GLU( 2 A 149) HE2
HIS( 2 A 150) HE2
HIS( 2 A 151) HD1
HIS( 2 A 152) HD1
HIS( 2 A 153) HD1
HIS( 2 A 154) HE2
HIS( 2 A 155) HD1
GLU( 3 A 3) HE2
ASP( 3 A 8) HD2
GLU( 3 A 17) HE2
ASP( 3 A 25) HD2
HIS( 3 A 35) HD1
GLU( 3 A 40) HE2
ASP( 3 A 43) HD2
ASP( 3 A 44) HD2
GLU( 3 A 52) HE2
GLU( 3 A 63) HE2
GLU( 3 A 65) HE2
ASP( 3 A 69) HD2
GLU( 3 A 70) HE2
GLU( 3 A 86) HE2
GLU( 3 A 90) HE2
GLU( 3 A 103) HE2
GLU( 3 A 128) HE2
ASP( 3 A 135) HD2
ASP( 3 A 136) HD2
GLU( 3 A 143) HE2
GLU( 3 A 145) HE2
GLU( 3 A 149) HE2
HIS( 3 A 150) HD1
HIS( 3 A 151) HD1
HIS( 3 A 152) HE2
HIS( 3 A 153) HE2
HIS( 3 A 154) HE2
HIS( 3 A 155) HE2
GLU( 4 A 3) HE2
ASP( 4 A 8) HD2
GLU( 4 A 17) HE2
ASP( 4 A 25) HD2
HIS( 4 A 35) HD1
GLU( 4 A 40) HE2
ASP( 4 A 43) HD2
ASP( 4 A 44) HD2
GLU( 4 A 52) HE2
GLU( 4 A 63) HE2
GLU( 4 A 65) HE2
ASP( 4 A 69) HD2
GLU( 4 A 70) HE2
GLU( 4 A 86) HE2
GLU( 4 A 90) HE2
GLU( 4 A 103) HE2
GLU( 4 A 128) HE2
ASP( 4 A 135) HD2
ASP( 4 A 136) HD2
GLU( 4 A 143) HE2
GLU( 4 A 145) HE2
GLU( 4 A 149) HE2
HIS( 4 A 150) HE2
HIS( 4 A 151) HE2
HIS( 4 A 152) HE2
HIS( 4 A 153) HD1
HIS( 4 A 154) HD1
HIS( 4 A 155) HD1
GLU( 5 A 3) HE2
ASP( 5 A 8) HD2
GLU( 5 A 17) HE2
ASP( 5 A 25) HD2
HIS( 5 A 35) HD1
GLU( 5 A 40) HE2
ASP( 5 A 43) HD2
ASP( 5 A 44) HD2
GLU( 5 A 52) HE2
GLU( 5 A 63) HE2
GLU( 5 A 65) HE2
ASP( 5 A 69) HD2
GLU( 5 A 70) HE2
GLU( 5 A 86) HE2
GLU( 5 A 90) HE2
GLU( 5 A 103) HE2
GLU( 5 A 128) HE2
ASP( 5 A 135) HD2
ASP( 5 A 136) HD2
GLU( 5 A 143) HE2
GLU( 5 A 145) HE2
GLU( 5 A 149) HE2
HIS( 5 A 150) HD1
HIS( 5 A 151) HE2
HIS( 5 A 152) HD1
HIS( 5 A 153) HD1
HIS( 5 A 154) HE2
HIS( 5 A 155) HE2
GLU( 6 A 3) HE2
ASP( 6 A 8) HD2
GLU( 6 A 17) HE2
ASP( 6 A 25) HD2
HIS( 6 A 35) HD1
GLU( 6 A 40) HE2
ASP( 6 A 43) HD2
ASP( 6 A 44) HD2
GLU( 6 A 52) HE2
GLU( 6 A 63) HE2
GLU( 6 A 65) HE2
ASP( 6 A 69) HD2
GLU( 6 A 70) HE2
GLU( 6 A 86) HE2
GLU( 6 A 90) HE2
GLU( 6 A 103) HE2
GLU( 6 A 128) HE2
ASP( 6 A 135) HD2
ASP( 6 A 136) HD2
GLU( 6 A 143) HE2
GLU( 6 A 145) HE2
GLU( 6 A 149) HE2
HIS( 6 A 150) HD1
HIS( 6 A 151) HE2
HIS( 6 A 152) HE2
HIS( 6 A 153) HD1
HIS( 6 A 154) HE2
HIS( 6 A 155) HE2
GLU( 7 A 3) HE2
ASP( 7 A 8) HD2
GLU( 7 A 17) HE2
ASP( 7 A 25) HD2
HIS( 7 A 35) HE2
GLU( 7 A 40) HE2
ASP( 7 A 43) HD2
ASP( 7 A 44) HD2
GLU( 7 A 52) HE2
GLU( 7 A 63) HE2
GLU( 7 A 65) HE2
ASP( 7 A 69) HD2
GLU( 7 A 70) HE2
GLU( 7 A 86) HE2
GLU( 7 A 90) HE2
GLU( 7 A 103) HE2
GLU( 7 A 128) HE2
ASP( 7 A 135) HD2
ASP( 7 A 136) HD2
GLU( 7 A 143) HE2
GLU( 7 A 145) HE2
GLU( 7 A 149) HE2
HIS( 7 A 150) HE2
HIS( 7 A 151) HD1
HIS( 7 A 152) HD1
HIS( 7 A 153) HE2
HIS( 7 A 154) HD1
HIS( 7 A 155) HD1
GLU( 8 A 3) HE2
ASP( 8 A 8) HD2
GLU( 8 A 17) HE2
ASP( 8 A 25) HD2
HIS( 8 A 35) HD1
GLU( 8 A 40) HE2
ASP( 8 A 43) HD2
ASP( 8 A 44) HD2
GLU( 8 A 52) HE2
GLU( 8 A 63) HE2
GLU( 8 A 65) HE2
ASP( 8 A 69) HD2
GLU( 8 A 70) HE2
GLU( 8 A 86) HE2
GLU( 8 A 90) HE2
GLU( 8 A 103) HE2
GLU( 8 A 128) HE2
ASP( 8 A 135) HD2
ASP( 8 A 136) HD2
GLU( 8 A 143) HE2
GLU( 8 A 145) HE2
GLU( 8 A 149) HE2
HIS( 8 A 150) HD1
HIS( 8 A 151) HD1
HIS( 8 A 152) HE2
HIS( 8 A 153) HD1
HIS( 8 A 154) HD1
HIS( 8 A 155) HE2
GLU( 9 A 3) HE2
ASP( 9 A 8) HD2
GLU( 9 A 17) HE2
ASP( 9 A 25) HD2
HIS( 9 A 35) HD1
GLU( 9 A 40) HE2
ASP( 9 A 43) HD2
ASP( 9 A 44) HD2
GLU( 9 A 52) HE2
GLU( 9 A 63) HE2
GLU( 9 A 65) HE2
ASP( 9 A 69) HD2
GLU( 9 A 70) HE2
GLU( 9 A 86) HE2
GLU( 9 A 90) HE2
GLU( 9 A 103) HE2
GLU( 9 A 128) HE2
ASP( 9 A 135) HD2
ASP( 9 A 136) HD2
GLU( 9 A 143) HE2
GLU( 9 A 145) HE2
GLU( 9 A 149) HE2
HIS( 9 A 150) HE2
HIS( 9 A 151) HE2
HIS( 9 A 152) HD1
HIS( 9 A 153) HE2
HIS( 9 A 154) HD1
HIS( 9 A 155) HD1
GLU( 10 A 3) HE2
ASP( 10 A 8) HD2
GLU( 10 A 17) HE2
ASP( 10 A 25) HD2
HIS( 10 A 35) HE2
GLU( 10 A 40) HE2
ASP( 10 A 43) HD2
ASP( 10 A 44) HD2
GLU( 10 A 52) HE2
GLU( 10 A 63) HE2
GLU( 10 A 65) HE2
ASP( 10 A 69) HD2
GLU( 10 A 70) HE2
GLU( 10 A 86) HE2
GLU( 10 A 90) HE2
GLU( 10 A 103) HE2
GLU( 10 A 128) HE2
ASP( 10 A 135) HD2
ASP( 10 A 136) HD2
GLU( 10 A 143) HE2
GLU( 10 A 145) HE2
GLU( 10 A 149) HE2
HIS( 10 A 150) HE2
HIS( 10 A 151) HD1
HIS( 10 A 152) HE2
HIS( 10 A 153) HE2
HIS( 10 A 154) HD1
HIS( 10 A 155) HD1
GLU( 11 A 3) HE2
ASP( 11 A 8) HD2
GLU( 11 A 17) HE2
ASP( 11 A 25) HD2
HIS( 11 A 35) HE2
GLU( 11 A 40) HE2
ASP( 11 A 43) HD2
ASP( 11 A 44) HD2
GLU( 11 A 52) HE2
GLU( 11 A 63) HE2
GLU( 11 A 65) HE2
ASP( 11 A 69) HD2
GLU( 11 A 70) HE2
GLU( 11 A 86) HE2
GLU( 11 A 90) HE2
GLU( 11 A 103) HE2
GLU( 11 A 128) HE2
ASP( 11 A 135) HD2
ASP( 11 A 136) HD2
GLU( 11 A 143) HE2
GLU( 11 A 145) HE2
GLU( 11 A 149) HE2
HIS( 11 A 150) HE2
HIS( 11 A 151) HD1
HIS( 11 A 152) HD1
HIS( 11 A 153) HD1
HIS( 11 A 154) HE2
HIS( 11 A 155) HE2
GLU( 12 A 3) HE2
ASP( 12 A 8) HD2
GLU( 12 A 17) HE2
ASP( 12 A 25) HD2
HIS( 12 A 35) HD1
GLU( 12 A 40) HE2
ASP( 12 A 43) HD2
ASP( 12 A 44) HD2
GLU( 12 A 52) HE2
GLU( 12 A 63) HE2
GLU( 12 A 65) HE2
ASP( 12 A 69) HD2
GLU( 12 A 70) HE2
GLU( 12 A 86) HE2
GLU( 12 A 90) HE2
GLU( 12 A 103) HE2
GLU( 12 A 128) HE2
ASP( 12 A 135) HD2
ASP( 12 A 136) HD2
GLU( 12 A 143) HE2
GLU( 12 A 145) HE2
GLU( 12 A 149) HE2
HIS( 12 A 150) HD1
HIS( 12 A 151) HE2
HIS( 12 A 152) HD1
HIS( 12 A 153) HE2
HIS( 12 A 154) HE2
HIS( 12 A 155) HE2
GLU( 13 A 3) HE2
ASP( 13 A 8) HD2
GLU( 13 A 17) HE2
ASP( 13 A 25) HD2
HIS( 13 A 35) HD1
GLU( 13 A 40) HE2
ASP( 13 A 43) HD2
ASP( 13 A 44) HD2
GLU( 13 A 52) HE2
GLU( 13 A 63) HE2
GLU( 13 A 65) HE2
ASP( 13 A 69) HD2
GLU( 13 A 70) HE2
GLU( 13 A 86) HE2
GLU( 13 A 90) HE2
GLU( 13 A 103) HE2
GLU( 13 A 128) HE2
ASP( 13 A 135) HD2
ASP( 13 A 136) HD2
GLU( 13 A 143) HE2
GLU( 13 A 145) HE2
GLU( 13 A 149) HE2
HIS( 13 A 150) HE2
HIS( 13 A 151) HD1
HIS( 13 A 152) HE2
HIS( 13 A 153) HD1
HIS( 13 A 154) HD1
HIS( 13 A 155) HD1
GLU( 14 A 3) HE2
ASP( 14 A 8) HD2
GLU( 14 A 17) HE2
ASP( 14 A 25) HD2
HIS( 14 A 35) HE2
GLU( 14 A 40) HE2
ASP( 14 A 43) HD2
ASP( 14 A 44) HD2
GLU( 14 A 52) HE2
GLU( 14 A 63) HE2
GLU( 14 A 65) HE2
ASP( 14 A 69) HD2
GLU( 14 A 70) HE2
GLU( 14 A 86) HE2
GLU( 14 A 90) HE2
GLU( 14 A 103) HE2
GLU( 14 A 128) HE2
ASP( 14 A 135) HD2
ASP( 14 A 136) HD2
GLU( 14 A 143) HE2
GLU( 14 A 145) HE2
GLU( 14 A 149) HE2
HIS( 14 A 150) HD1
HIS( 14 A 151) HE2
HIS( 14 A 152) HE2
HIS( 14 A 153) HD1
HIS( 14 A 154) HD1
HIS( 14 A 155) HD1
GLU( 15 A 3) HE2
ASP( 15 A 8) HD2
GLU( 15 A 17) HE2
ASP( 15 A 25) HD2
HIS( 15 A 35) HD1
GLU( 15 A 40) HE2
ASP( 15 A 43) HD2
ASP( 15 A 44) HD2
GLU( 15 A 52) HE2
GLU( 15 A 63) HE2
GLU( 15 A 65) HE2
ASP( 15 A 69) HD2
GLU( 15 A 70) HE2
GLU( 15 A 86) HE2
GLU( 15 A 90) HE2
GLU( 15 A 103) HE2
GLU( 15 A 128) HE2
ASP( 15 A 135) HD2
ASP( 15 A 136) HD2
GLU( 15 A 143) HE2
GLU( 15 A 145) HE2
GLU( 15 A 149) HE2
HIS( 15 A 150) HE2
HIS( 15 A 151) HD1
HIS( 15 A 152) HE2
HIS( 15 A 153) HE2
HIS( 15 A 154) HD1
HIS( 15 A 155) HE2
GLU( 16 A 3) HE2
ASP( 16 A 8) HD2
GLU( 16 A 17) HE2
ASP( 16 A 25) HD2
HIS( 16 A 35) HE2
GLU( 16 A 40) HE2
ASP( 16 A 43) HD2
ASP( 16 A 44) HD2
GLU( 16 A 52) HE2
GLU( 16 A 63) HE2
GLU( 16 A 65) HE2
ASP( 16 A 69) HD2
GLU( 16 A 70) HE2
GLU( 16 A 86) HE2
GLU( 16 A 90) HE2
GLU( 16 A 103) HE2
GLU( 16 A 128) HE2
ASP( 16 A 135) HD2
ASP( 16 A 136) HD2
GLU( 16 A 143) HE2
GLU( 16 A 145) HE2
GLU( 16 A 149) HE2
HIS( 16 A 150) HE2
HIS( 16 A 151) HE2
HIS( 16 A 152) HD1
HIS( 16 A 153) HD1
HIS( 16 A 154) HD1
HIS( 16 A 155) HE2
GLU( 17 A 3) HE2
ASP( 17 A 8) HD2
GLU( 17 A 17) HE2
ASP( 17 A 25) HD2
HIS( 17 A 35) HE2
GLU( 17 A 40) HE2
ASP( 17 A 43) HD2
ASP( 17 A 44) HD2
GLU( 17 A 52) HE2
GLU( 17 A 63) HE2
GLU( 17 A 65) HE2
ASP( 17 A 69) HD2
GLU( 17 A 70) HE2
GLU( 17 A 86) HE2
GLU( 17 A 90) HE2
GLU( 17 A 103) HE2
GLU( 17 A 128) HE2
ASP( 17 A 135) HD2
ASP( 17 A 136) HD2
GLU( 17 A 143) HE2
GLU( 17 A 145) HE2
GLU( 17 A 149) HE2
HIS( 17 A 150) HE2
HIS( 17 A 151) HD1
HIS( 17 A 152) HE2
HIS( 17 A 153) HE2
HIS( 17 A 154) HE2
HIS( 17 A 155) HD1
GLU( 18 A 3) HE2
ASP( 18 A 8) HD2
GLU( 18 A 17) HE2
ASP( 18 A 25) HD2
HIS( 18 A 35) HD1
GLU( 18 A 40) HE2
ASP( 18 A 43) HD2
ASP( 18 A 44) HD2
GLU( 18 A 52) HE2
GLU( 18 A 63) HE2
GLU( 18 A 65) HE2
ASP( 18 A 69) HD2
GLU( 18 A 70) HE2
GLU( 18 A 86) HE2
GLU( 18 A 90) HE2
GLU( 18 A 103) HE2
GLU( 18 A 128) HE2
ASP( 18 A 135) HD2
ASP( 18 A 136) HD2
GLU( 18 A 143) HE2
GLU( 18 A 145) HE2
GLU( 18 A 149) HE2
HIS( 18 A 150) HD1
HIS( 18 A 151) HD1
HIS( 18 A 152) HE2
HIS( 18 A 153) HE2
HIS( 18 A 154) HD1
HIS( 18 A 155) HE2
GLU( 19 A 3) HE2
ASP( 19 A 8) HD2
GLU( 19 A 17) HE2
ASP( 19 A 25) HD2
HIS( 19 A 35) HE2
GLU( 19 A 40) HE2
ASP( 19 A 43) HD2
ASP( 19 A 44) HD2
GLU( 19 A 52) HE2
GLU( 19 A 63) HE2
GLU( 19 A 65) HE2
ASP( 19 A 69) HD2
GLU( 19 A 70) HE2
GLU( 19 A 86) HE2
GLU( 19 A 90) HE2
GLU( 19 A 103) HE2
GLU( 19 A 128) HE2
ASP( 19 A 135) HD2
ASP( 19 A 136) HD2
GLU( 19 A 143) HE2
GLU( 19 A 145) HE2
GLU( 19 A 149) HE2
HIS( 19 A 150) HE2
HIS( 19 A 151) HE2
HIS( 19 A 152) HE2
HIS( 19 A 153) HE2
HIS( 19 A 154) HD1
HIS( 19 A 155) HE2
GLU( 20 A 3) HE2
ASP( 20 A 8) HD2
GLU( 20 A 17) HE2
ASP( 20 A 25) HD2
HIS( 20 A 35) HE2
GLU( 20 A 40) HE2
ASP( 20 A 43) HD2
ASP( 20 A 44) HD2
GLU( 20 A 52) HE2
GLU( 20 A 63) HE2
GLU( 20 A 65) HE2
ASP( 20 A 69) HD2
GLU( 20 A 70) HE2
GLU( 20 A 86) HE2
GLU( 20 A 90) HE2
GLU( 20 A 103) HE2
GLU( 20 A 128) HE2
ASP( 20 A 135) HD2
ASP( 20 A 136) HD2
GLU( 20 A 143) HE2
GLU( 20 A 145) HE2
GLU( 20 A 149) HE2
HIS( 20 A 150) HD1
HIS( 20 A 151) HE2
HIS( 20 A 152) HE2
HIS( 20 A 153) HD1
HIS( 20 A 154) HD1
HIS( 20 A 155) HD1
==> The following residues have extra atoms:
RES MOD#C SEQ ATOMS
HIS( 1 A 155) O2
HIS( 2 A 155) O2
HIS( 3 A 155) O2
HIS( 4 A 155) O2
HIS( 5 A 155) O2
HIS( 6 A 155) O2
HIS( 7 A 155) O2
HIS( 8 A 155) O2
HIS( 9 A 155) O2
HIS( 10 A 155) O2
HIS( 11 A 155) O2
HIS( 12 A 155) O2
HIS( 13 A 155) O2
HIS( 14 A 155) O2
HIS( 15 A 155) O2
HIS( 16 A 155) O2
HIS( 17 A 155) O2
HIS( 18 A 155) O2
HIS( 19 A 155) O2
HIS( 20 A 155) 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
DRR147D_R3_em_bcr3.pdb: Missing KEYWDS records
DRR147D_R3_em_bcr3.pdb: Missing TITLE record