Detailed results of HR3646E_R3_em_bcr3 by PSVS
Output from PDBStat
Constraints analysis
table of NOE constraints
# -------------- SUMMARY OF RESTRAINTS ---------------
# TOTAL NUMBER OF NOE RESTRAINTS : 1571
# INTRA-RESIDUE RESTRAINTS (I=J) : 333
# SEQUENTIAL RESTRAINTS (I-J)=1 : 481
# BACKBONE-BACKBONE : 106
# BACKBONE-SIDE CHAIN : 29
# SIDE CHAIN-SIDE CHAIN : 346
# MEDIUM RANGE RESTRAINTS 1<(I-J)<5 : 425
# BACKBONE-BACKBONE : 104
# BACKBONE-SIDE CHAIN : 110
# SIDE CHAIN-SIDE CHAIN : 211
# LONG RANGE RESTRAINTS (I-J)>=5 : 332
# TOTAL HYDROGEN BOND RESTRAINTS : 0
# LONG RANGE H-BOND RESTR. (I-J)>=5 : 0
# DISULFIDE RESTRAINTS : 0
# INTRA-CHAIN RESTRAINTS : 1571
# 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
HIS 3 0 0.0 0.0 0.0 0.0 0.0
HIS 4 0 0.0 0.0 0.0 0.0 0.0
HIS 5 0 0.0 0.0 0.0 0.0 0.0
HIS 6 0 0.0 0.0 0.0 0.0 0.0
HIS 7 0 0.0 0.0 0.0 0.0 0.0
HIS 8 0 0.0 0.0 0.0 0.0 0.0
SER 9 0 0.0 0.0 0.0 0.0 0.0
HIS 10 0 0.0 0.0 0.0 0.0 0.0
MET 11 0 0.0 0.0 0.0 0.0 0.0
ALA 12 0 0.0 0.0 0.0 0.0 0.0
GLN 13 0 0.0 0.0 0.0 0.0 0.0
PHE 14 0 0.0 0.0 0.0 0.0 0.0
PRO 15 0 2.0 2.0 0.0 0.0 0.0
THR 16 1 5.0 5.0 0.0 0.0 0.0
PRO 17 0 6.0 6.0 0.0 0.0 0.0
PHE 18 3 3.0 3.0 0.0 0.0 0.0
GLY 19 0 0.5 0.5 0.0 0.0 0.0
GLY 20 0 1.0 1.0 0.0 0.0 0.0
SER 21 0 2.5 2.5 0.0 0.0 0.0
LEU 22 6 5.5 5.5 0.0 0.0 0.0
ASP 23 2 8.5 5.5 3.0 0.0 0.0
THR 24 1 10.5 6.5 2.0 2.0 0.0
TRP 25 4 15.0 6.0 0.5 8.5 0.0
ALA 26 1 12.0 2.5 6.0 3.5 0.0
ILE 27 4 20.0 4.0 10.5 5.5 0.0
THR 28 1 14.0 4.0 10.0 0.0 0.0
VAL 29 1 7.5 3.5 4.0 0.0 0.0
GLU 30 6 9.5 5.5 4.0 0.0 0.0
GLU 31 3 27.5 6.0 20.5 1.0 0.0
ARG 32 0 8.0 4.5 2.5 1.0 0.0
ALA 33 0 10.5 2.0 8.5 0.0 0.0
LYS 34 18 9.0 4.5 4.5 0.0 0.0
HIS 35 0 5.5 5.5 0.0 0.0 0.0
ASP 36 3 8.0 3.5 4.5 0.0 0.0
GLN 37 5 7.5 5.0 2.5 0.0 0.0
GLN 38 9 6.5 4.0 2.5 0.0 0.0
PHE 39 1 15.5 3.5 4.0 8.0 0.0
HIS 40 2 10.0 4.5 5.5 0.0 0.0
SER 41 3 7.0 4.0 3.0 0.0 0.0
LEU 42 7 21.5 5.0 3.0 13.5 0.0
LYS 43 12 7.5 5.5 1.5 0.5 0.0
PRO 44 0 18.5 5.5 6.5 6.5 0.0
ILE 45 3 8.5 5.5 3.0 0.0 0.0
SER 46 0 4.5 3.5 1.0 0.0 0.0
GLY 47 0 3.0 1.5 1.5 0.0 0.0
PHE 48 5 9.0 3.5 4.5 1.0 0.0
ILE 49 3 25.5 5.5 4.0 16.0 0.0
THR 50 1 11.0 4.5 5.5 1.0 0.0
GLY 51 0 6.0 2.5 2.0 1.5 0.0
ASP 52 3 5.0 2.0 3.0 0.0 0.0
GLN 53 9 14.5 4.5 8.5 1.5 0.0
ALA 54 0 11.5 3.5 4.5 3.5 0.0
ARG 55 9 7.5 4.0 3.5 0.0 0.0
ASN 56 2 10.0 5.0 5.0 0.0 0.0
PHE 57 5 11.0 4.0 2.0 5.0 0.0
PHE 58 4 14.0 4.5 3.0 6.5 0.0
PHE 59 5 12.5 4.5 4.0 4.0 0.0
GLN 60 7 6.0 4.5 0.5 1.0 0.0
SER 61 2 12.0 4.0 3.0 5.0 0.0
GLY 62 0 4.5 3.0 0.5 1.0 0.0
LEU 63 7 31.5 9.0 6.0 16.5 0.0
PRO 64 0 21.0 10.0 11.0 0.0 0.0
GLN 65 4 11.0 5.5 5.5 0.0 0.0
PRO 66 0 14.0 10.0 4.0 0.0 0.0
VAL 67 2 35.5 8.5 19.5 7.5 0.0
LEU 68 6 23.0 5.0 8.0 10.0 0.0
ALA 69 0 12.5 4.0 8.5 0.0 0.0
GLN 70 5 23.5 5.5 18.0 0.0 0.0
ILE 71 4 40.0 8.0 14.0 18.0 0.0
TRP 72 3 22.5 7.0 6.5 9.0 0.0
ALA 73 1 16.0 5.5 9.0 1.5 0.0
LEU 74 6 22.5 5.5 10.5 6.5 0.0
ALA 75 0 17.0 4.0 6.0 7.0 0.0
ASP 76 3 10.0 2.5 5.0 2.5 0.0
MET 77 5 15.0 5.5 1.5 8.0 0.0
ASN 78 2 6.5 4.0 2.0 0.5 0.0
ASN 79 4 6.0 2.0 2.5 1.5 0.0
ASP 80 3 6.0 3.0 3.0 0.0 0.0
GLY 81 0 5.0 2.0 0.5 2.5 0.0
ARG 82 5 5.5 4.5 0.5 0.5 0.0
MET 83 9 24.5 8.5 4.5 11.5 0.0
ASP 84 2 12.5 7.0 4.5 1.0 0.0
GLN 85 12 13.5 5.5 4.0 4.0 0.0
VAL 86 1 11.5 5.0 6.5 0.0 0.0
GLU 87 3 15.5 4.5 7.0 4.0 0.0
PHE 88 4 11.5 5.0 4.5 2.0 0.0
SER 89 0 6.5 3.0 3.5 0.0 0.0
ILE 90 3 25.5 2.5 4.5 18.5 0.0
ALA 91 0 3.5 2.0 0.5 1.0 0.0
MET 92 0 1.5 1.0 0.5 0.0 0.0
LYS 93 0 1.5 1.5 0.0 0.0 0.0
LEU 94 3 22.0 7.0 4.5 10.5 0.0
ILE 95 4 28.0 10.5 5.0 12.5 0.0
LYS 96 8 11.0 8.0 3.0 0.0 0.0
LEU 97 5 26.0 5.5 7.0 13.5 0.0
LYS 98 10 29.0 4.5 4.0 20.5 0.0
LEU 99 5 17.0 5.5 4.5 7.0 0.0
GLN 100 3 11.5 4.5 7.0 0.0 0.0
GLY 101 0 3.0 3.0 0.0 0.0 0.0
TYR 102 4 20.0 4.5 3.5 12.0 0.0
GLN 103 0 3.5 3.5 0.0 0.0 0.0
LEU 104 0 0.0 0.0 0.0 0.0 0.0
PRO 105 0 5.0 2.5 2.0 0.5 0.0
SER 106 3 6.0 4.5 0.0 1.5 0.0
ALA 107 0 6.5 3.0 2.0 1.5 0.0
LEU 108 4 8.0 1.0 3.5 3.5 0.0
PRO 109 0 0.0 0.0 0.0 0.0 0.0
PRO 110 0 7.5 3.5 4.0 0.0 0.0
VAL 111 2 23.0 7.5 8.5 7.0 0.0
MET 112 9 18.0 7.0 4.0 7.0 0.0
LYS 113 14 20.0 8.0 7.5 4.5 0.0
GLN 114 5 14.0 8.5 5.5 0.0 0.0
GLN 115 4 7.5 7.5 0.0 0.0 0.0
PRO 116 0 7.0 7.0 0.0 0.0 0.0
VAL 117 1 5.5 5.5 0.0 0.0 0.0
ALA 118 0 3.0 3.0 0.0 0.0 0.0
ILE 119 4 1.5 1.5 0.0 0.0 0.0
SER 120 0 1.5 1.5 0.0 0.0 0.0
SER 121 0 0.5 0.5 0.0 0.0 0.0
# TOTAL 333 1238.0 481.0 425.0 332.0 0.0
# TOTAL NUMBER OF RESTRAINTS (CHECKING): 1571.0
List of conformationally-resticting NOE constraints
assign ((resid 15 and name HA )) ( (resid 16 and name HN )) 2.99 2.99 0.00
assign ((resid 17 and name HA )) ( (resid 18 and name HN )) 3.52 3.52 0.00
assign ((resid 19 and name HN )) ( (resid 20 and name HN )) 5.00 5.00 0.00
assign ((resid 21 and name HN )) ( (resid 22 and name HN )) 4.94 4.94 0.00
assign ((resid 21 and name HA )) ( (resid 22 and name HN )) 3.14 3.14 0.00
assign ((resid 21 and name HB2 )) ( (resid 22 and name HN )) 4.60 4.60 0.00
assign ((resid 21 and name HB1 )) ( (resid 22 and name HN )) 4.60 4.60 0.00
assign ((resid 22 and name HA )) ( (resid 23 and name HN )) 3.33 3.33 0.00
assign ((resid 22 and name HB2 )) ( (resid 23 and name HN )) 4.07 4.07 0.00
assign ((resid 22 and name HB1 )) ( (resid 23 and name HN )) 4.07 4.07 0.00
assign ((resid 23 and name HN )) ( (resid 24 and name HN )) 4.07 4.07 0.00
assign ((resid 23 and name HA )) ( (resid 24 and name HN )) 3.17 3.17 0.00
assign ((resid 23 and name HB2 )) ( (resid 24 and name HN )) 5.19 5.19 0.00
assign ((resid 23 and name HB1 )) ( (resid 24 and name HN )) 5.19 5.19 0.00
assign ((resid 24 and name HN )) ( (resid 25 and name HN )) 3.67 3.67 0.00
assign ((resid 24 and name HB )) ( (resid 25 and name HN )) 3.64 3.64 0.00
assign ((resid 25 and name HN )) ( (resid 26 and name HN )) 2.96 2.96 0.00
assign ((resid 25 and name HB2 )) ( (resid 26 and name HN )) 4.82 4.82 0.00
assign ((resid 25 and name HB1 )) ( (resid 26 and name HN )) 3.92 3.92 0.00
assign ((resid 26 and name HA )) ( (resid 27 and name HN )) 2.80 2.80 0.00
assign ((resid 27 and name HA )) ( (resid 28 and name HN )) 3.17 3.17 0.00
assign ((resid 27 and name HB )) ( (resid 28 and name HN )) 4.38 4.38 0.00
assign ((resid 28 and name HN )) ( (resid 29 and name HN )) 4.79 4.79 0.00
assign ((resid 30 and name HB2 )) ( (resid 31 and name HN )) 3.83 3.83 0.00
assign ((resid 30 and name HB1 )) ( (resid 31 and name HN )) 3.83 3.83 0.00
assign ((resid 32 and name HN )) ( (resid 33 and name HN )) 3.39 3.39 0.00
assign ((resid 32 and name HB2 )) ( (resid 33 and name HN )) 3.70 3.70 0.00
assign ((resid 32 and name HB1 )) ( (resid 33 and name HN )) 3.95 3.95 0.00
assign ((resid 34 and name HB2 )) ( (resid 35 and name HN )) 4.20 4.20 0.00
assign ((resid 35 and name HB2 )) ( (resid 36 and name HN )) 3.95 3.95 0.00
assign ((resid 35 and name HB1 )) ( (resid 36 and name HN )) 3.95 3.95 0.00
assign ((resid 36 and name HN )) ( (resid 37 and name HN )) 3.55 3.55 0.00
assign ((resid 36 and name HB2 )) ( (resid 37 and name HN )) 4.17 4.17 0.00
assign ((resid 39 and name HN )) ( (resid 40 and name HN )) 3.79 3.79 0.00
assign ((resid 39 and name HB2 )) ( (resid 40 and name HN )) 3.98 3.98 0.00
assign ((resid 39 and name HB1 )) ( (resid 40 and name HN )) 3.98 3.98 0.00
assign ((resid 41 and name HB2 )) ( (resid 42 and name HN )) 4.45 4.45 0.00
assign ((resid 41 and name HB1 )) ( (resid 42 and name HN )) 4.45 4.45 0.00
assign ((resid 42 and name HN )) ( (resid 43 and name HN )) 3.21 3.21 0.00
assign ((resid 42 and name HB2 )) ( (resid 43 and name HN )) 4.45 4.45 0.00
assign ((resid 42 and name HB1 )) ( (resid 43 and name HN )) 4.35 4.35 0.00
assign ((resid 44 and name HA )) ( (resid 45 and name HN )) 2.90 2.90 0.00
assign ((resid 44 and name HB2 )) ( (resid 45 and name HN )) 3.73 3.73 0.00
assign ((resid 44 and name HB1 )) ( (resid 45 and name HN )) 4.11 4.11 0.00
assign ((resid 46 and name HB2 )) ( (resid 47 and name HN )) 5.50 5.50 0.00
assign ((resid 47 and name HN )) ( (resid 48 and name HN )) 3.27 3.27 0.00
assign ((resid 48 and name HA )) ( (resid 49 and name HN )) 3.11 3.11 0.00
assign ((resid 48 and name HB2 )) ( (resid 49 and name HN )) 4.51 4.51 0.00
assign ((resid 48 and name HB1 )) ( (resid 49 and name HN )) 4.51 4.51 0.00
assign ((resid 49 and name HA )) ( (resid 50 and name HN )) 3.11 3.11 0.00
assign ((resid 49 and name HB )) ( (resid 50 and name HN )) 3.36 3.36 0.00
assign ((resid 50 and name HA )) ( (resid 51 and name HN )) 2.99 2.99 0.00
assign ((resid 50 and name HB )) ( (resid 51 and name HN )) 3.79 3.79 0.00
assign ((resid 52 and name HN )) ( (resid 53 and name HN )) 3.79 3.79 0.00
assign ((resid 53 and name HN )) ( (resid 54 and name HN )) 3.36 3.36 0.00
assign ((resid 53 and name HB1 )) ( (resid 54 and name HN )) 4.11 4.11 0.00
assign ((resid 55 and name HN )) ( (resid 56 and name HN )) 3.42 3.42 0.00
assign ((resid 55 and name HB2 )) ( (resid 56 and name HN )) 4.14 4.14 0.00
assign ((resid 55 and name HB1 )) ( (resid 56 and name HN )) 4.14 4.14 0.00
assign ((resid 56 and name HB1 )) ( (resid 57 and name HN )) 3.86 3.86 0.00
assign ((resid 57 and name HN )) ( (resid 58 and name HN )) 3.27 3.27 0.00
assign ((resid 57 and name HB2 )) ( (resid 58 and name HN )) 4.01 4.01 0.00
assign ((resid 57 and name HB1 )) ( (resid 58 and name HN )) 3.70 3.70 0.00
assign ((resid 58 and name HN )) ( (resid 59 and name HN )) 3.39 3.39 0.00
assign ((resid 58 and name HB2 )) ( (resid 59 and name HN )) 5.50 5.50 0.00
assign ((resid 59 and name HB2 )) ( (resid 60 and name HN )) 4.35 4.35 0.00
assign ((resid 59 and name HB1 )) ( (resid 60 and name HN )) 4.35 4.35 0.00
assign ((resid 60 and name HN )) ( (resid 61 and name HN )) 3.45 3.45 0.00
assign ((resid 60 and name HB2 )) ( (resid 61 and name HN )) 5.28 5.28 0.00
assign ((resid 60 and name HB1 )) ( (resid 61 and name HN )) 5.28 5.28 0.00
assign ((resid 61 and name HN )) ( (resid 62 and name HN )) 3.27 3.27 0.00
assign ((resid 61 and name HB2 )) ( (resid 62 and name HN )) 4.23 4.23 0.00
assign ((resid 61 and name HB1 )) ( (resid 62 and name HN )) 4.23 4.23 0.00
assign ((resid 64 and name HA )) ( (resid 65 and name HN )) 3.21 3.21 0.00
assign ((resid 64 and name HB1 )) ( (resid 65 and name HN )) 4.23 4.23 0.00
assign ((resid 66 and name HB2 )) ( (resid 67 and name HN )) 4.63 4.63 0.00
assign ((resid 66 and name HB1 )) ( (resid 67 and name HN )) 4.63 4.63 0.00
assign ((resid 67 and name HB )) ( (resid 68 and name HN )) 3.48 3.48 0.00
assign ((resid 68 and name HN )) ( (resid 69 and name HN )) 3.27 3.27 0.00
assign ((resid 68 and name HB2 )) ( (resid 69 and name HN )) 3.79 3.79 0.00
assign ((resid 68 and name HB1 )) ( (resid 69 and name HN )) 3.39 3.39 0.00
assign ((resid 70 and name HB1 )) ( (resid 71 and name HN )) 4.23 4.23 0.00
assign ((resid 71 and name HN )) ( (resid 72 and name HN )) 3.30 3.30 0.00
assign ((resid 71 and name HB )) ( (resid 72 and name HN )) 3.33 3.33 0.00
assign ((resid 72 and name HN )) ( (resid 73 and name HN )) 3.11 3.11 0.00
assign ((resid 72 and name HB1 )) ( (resid 73 and name HN )) 3.02 3.02 0.00
assign ((resid 74 and name HN )) ( (resid 75 and name HN )) 2.93 2.93 0.00
assign ((resid 74 and name HB2 )) ( (resid 75 and name HN )) 3.30 3.30 0.00
assign ((resid 74 and name HB1 )) ( (resid 75 and name HN )) 3.48 3.48 0.00
assign ((resid 75 and name HN )) ( (resid 76 and name HN )) 2.99 2.99 0.00
assign ((resid 76 and name HA )) ( (resid 77 and name HN )) 3.02 3.02 0.00
assign ((resid 76 and name HB2 )) ( (resid 77 and name HN )) 5.07 5.07 0.00
assign ((resid 76 and name HB1 )) ( (resid 77 and name HN )) 5.07 5.07 0.00
assign ((resid 77 and name HB2 )) ( (resid 78 and name HN )) 3.64 3.64 0.00
assign ((resid 77 and name HB1 )) ( (resid 78 and name HN )) 3.92 3.92 0.00
assign ((resid 78 and name HN )) ( (resid 79 and name HN )) 3.17 3.17 0.00
assign ((resid 79 and name HA )) ( (resid 80 and name HN )) 2.71 2.71 0.00
assign ((resid 79 and name HB2 )) ( (resid 80 and name HN )) 4.66 4.66 0.00
assign ((resid 79 and name HB1 )) ( (resid 80 and name HN )) 4.66 4.66 0.00
assign ((resid 80 and name HB2 )) ( (resid 81 and name HN )) 5.28 5.28 0.00
assign ((resid 80 and name HB1 )) ( (resid 81 and name HN )) 5.28 5.28 0.00
assign ((resid 81 and name HN )) ( (resid 82 and name HN )) 3.36 3.36 0.00
assign ((resid 82 and name HA )) ( (resid 83 and name HN )) 3.36 3.36 0.00
assign ((resid 82 and name HB2 )) ( (resid 83 and name HN )) 3.67 3.67 0.00
assign ((resid 82 and name HB1 )) ( (resid 83 and name HN )) 3.67 3.67 0.00
assign ((resid 83 and name HN )) ( (resid 84 and name HN )) 4.91 4.91 0.00
assign ((resid 83 and name HA )) ( (resid 84 and name HN )) 2.90 2.90 0.00
assign ((resid 83 and name HB2 )) ( (resid 84 and name HN )) 4.54 4.54 0.00
assign ((resid 83 and name HB1 )) ( (resid 84 and name HN )) 4.54 4.54 0.00
assign ((resid 84 and name HA )) ( (resid 85 and name HN )) 3.42 3.42 0.00
assign ((resid 84 and name HB2 )) ( (resid 85 and name HN )) 3.70 3.70 0.00
assign ((resid 84 and name HB1 )) ( (resid 85 and name HN )) 3.70 3.70 0.00
assign ((resid 85 and name HB1 )) ( (resid 86 and name HN )) 4.63 4.63 0.00
assign ((resid 87 and name HN )) ( (resid 88 and name HN )) 3.70 3.70 0.00
assign ((resid 88 and name HN )) ( (resid 89 and name HN )) 3.86 3.86 0.00
assign ((resid 88 and name HA )) ( (resid 89 and name HN )) 3.48 3.48 0.00
assign ((resid 88 and name HB2 )) ( (resid 89 and name HN )) 4.48 4.48 0.00
assign ((resid 88 and name HB1 )) ( (resid 89 and name HN )) 4.48 4.48 0.00
assign ((resid 94 and name HA )) ( (resid 95 and name HN )) 3.55 3.55 0.00
assign ((resid 94 and name HB2 )) ( (resid 95 and name HN )) 3.55 3.55 0.00
assign ((resid 94 and name HB1 )) ( (resid 95 and name HN )) 3.55 3.55 0.00
assign ((resid 95 and name HB )) ( (resid 96 and name HN )) 3.55 3.55 0.00
assign ((resid 96 and name HN )) ( (resid 97 and name HN )) 4.04 4.04 0.00
assign ((resid 97 and name HN )) ( (resid 98 and name HN )) 3.70 3.70 0.00
assign ((resid 98 and name HB2 )) ( (resid 99 and name HN )) 4.23 4.23 0.00
assign ((resid 98 and name HB1 )) ( (resid 99 and name HN )) 4.23 4.23 0.00
assign ((resid 99 and name HB2 )) ( (resid 100 and name HN )) 4.88 4.88 0.00
assign ((resid 99 and name HB1 )) ( (resid 100 and name HN )) 5.19 5.19 0.00
assign ((resid 100 and name HB2 )) ( (resid 101 and name HN )) 5.50 5.50 0.00
assign ((resid 100 and name HB1 )) ( (resid 101 and name HN )) 5.50 5.50 0.00
assign ((resid 101 and name HN )) ( (resid 102 and name HN )) 3.24 3.24 0.00
assign ((resid 102 and name HA )) ( (resid 103 and name HN )) 3.17 3.17 0.00
assign ((resid 102 and name HB2 )) ( (resid 103 and name HN )) 3.61 3.61 0.00
assign ((resid 102 and name HB1 )) ( (resid 103 and name HN )) 3.61 3.61 0.00
assign ((resid 105 and name HA )) ( (resid 106 and name HN )) 3.02 3.02 0.00
assign ((resid 105 and name HB2 )) ( (resid 106 and name HN )) 3.86 3.86 0.00
assign ((resid 106 and name HN )) ( (resid 107 and name HN )) 3.11 3.11 0.00
assign ((resid 106 and name HB2 )) ( (resid 107 and name HN )) 4.20 4.20 0.00
assign ((resid 106 and name HB1 )) ( (resid 107 and name HN )) 4.20 4.20 0.00
assign ((resid 107 and name HA )) ( (resid 108 and name HN )) 2.96 2.96 0.00
assign ((resid 110 and name HB1 )) ( (resid 111 and name HN )) 4.35 4.35 0.00
assign ((resid 111 and name HN )) ( (resid 112 and name HN )) 3.45 3.45 0.00
assign ((resid 111 and name HB )) ( (resid 112 and name HN )) 3.95 3.95 0.00
assign ((resid 113 and name HB2 )) ( (resid 114 and name HN )) 5.04 5.04 0.00
assign ((resid 113 and name HB1 )) ( (resid 114 and name HN )) 5.04 5.04 0.00
assign ((resid 114 and name HN )) ( (resid 115 and name HN )) 5.25 5.25 0.00
assign ((resid 114 and name HA )) ( (resid 115 and name HN )) 2.96 2.96 0.00
assign ((resid 114 and name HB2 )) ( (resid 115 and name HN )) 3.70 3.70 0.00
assign ((resid 114 and name HB1 )) ( (resid 115 and name HN )) 3.70 3.70 0.00
assign ((resid 116 and name HA )) ( (resid 117 and name HN )) 2.93 2.93 0.00
assign ((resid 116 and name HB1 )) ( (resid 117 and name HN )) 4.54 4.54 0.00
assign ((resid 117 and name HA )) ( (resid 118 and name HN )) 2.74 2.74 0.00
assign ((resid 117 and name HB )) ( (resid 118 and name HN )) 3.64 3.64 0.00
assign ((resid 118 and name HN )) ( (resid 119 and name HN )) 4.04 4.04 0.00
assign ((resid 16 and name HN )) ( (resid 16 and name HB )) 3.92 3.92 0.00
assign ((resid 22 and name HN )) ( (resid 22 and name HB2 )) 3.86 3.86 0.00
assign ((resid 22 and name HN )) ( (resid 22 and name HB1 )) 3.86 3.86 0.00
assign ((resid 23 and name HN )) ( (resid 23 and name HB2 )) 3.70 3.70 0.00
assign ((resid 24 and name HN )) ( (resid 24 and name HB )) 3.58 3.58 0.00
assign ((resid 25 and name HN )) ( (resid 25 and name HB2 )) 3.67 3.67 0.00
assign ((resid 25 and name HN )) ( (resid 25 and name HB1 )) 3.58 3.58 0.00
assign ((resid 27 and name HN )) ( (resid 27 and name HB )) 3.08 3.08 0.00
assign ((resid 29 and name HN )) ( (resid 29 and name HB )) 2.99 2.99 0.00
assign ((resid 30 and name HN )) ( (resid 30 and name HB1 )) 3.39 3.39 0.00
assign ((resid 34 and name HN )) ( (resid 34 and name HB1 )) 3.64 3.64 0.00
assign ((resid 36 and name HN )) ( (resid 36 and name HB2 )) 3.70 3.70 0.00
assign ((resid 36 and name HN )) ( (resid 36 and name HB1 )) 3.70 3.70 0.00
assign ((resid 38 and name HN )) ( (resid 38 and name HB2 )) 3.27 3.27 0.00
assign ((resid 38 and name HN )) ( (resid 38 and name HB1 )) 3.89 3.89 0.00
assign ((resid 41 and name HN )) ( (resid 41 and name HB2 )) 3.48 3.48 0.00
assign ((resid 41 and name HN )) ( (resid 41 and name HB1 )) 3.48 3.48 0.00
assign ((resid 42 and name HN )) ( (resid 42 and name HB2 )) 3.52 3.52 0.00
assign ((resid 42 and name HN )) ( (resid 42 and name HB1 )) 3.58 3.58 0.00
assign ((resid 43 and name HN )) ( (resid 43 and name HA )) 2.65 2.65 0.00
assign ((resid 45 and name HN )) ( (resid 45 and name HB )) 3.21 3.21 0.00
assign ((resid 48 and name HN )) ( (resid 48 and name HB2 )) 3.86 3.86 0.00
assign ((resid 48 and name HN )) ( (resid 48 and name HB1 )) 3.86 3.86 0.00
assign ((resid 52 and name HN )) ( (resid 52 and name HB2 )) 3.48 3.48 0.00
assign ((resid 52 and name HN )) ( (resid 52 and name HB1 )) 3.48 3.48 0.00
assign ((resid 55 and name HN )) ( (resid 55 and name HB2 )) 3.76 3.76 0.00
assign ((resid 55 and name HN )) ( (resid 55 and name HB1 )) 3.76 3.76 0.00
assign ((resid 56 and name HN )) ( (resid 56 and name HB2 )) 2.86 2.86 0.00
assign ((resid 57 and name HN )) ( (resid 57 and name HB2 )) 3.61 3.61 0.00
assign ((resid 57 and name HN )) ( (resid 57 and name HB1 )) 3.61 3.61 0.00
assign ((resid 58 and name HN )) ( (resid 58 and name HB2 )) 4.04 4.04 0.00
assign ((resid 58 and name HN )) ( (resid 58 and name HB1 )) 4.04 4.04 0.00
assign ((resid 60 and name HN )) ( (resid 60 and name HB1 )) 3.89 3.89 0.00
assign ((resid 61 and name HN )) ( (resid 61 and name HB2 )) 3.89 3.89 0.00
assign ((resid 61 and name HN )) ( (resid 61 and name HB1 )) 3.89 3.89 0.00
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assign ((resid 48 and name HN )) ( (resid 48 and name HB* )) 3.62 3.62 0.00
assign ((resid 48 and name HB* )) ( (resid 49 and name HN )) 4.18 4.18 0.00
assign ((resid 49 and name HN )) ( (resid 49 and name HG1* )) 4.52 4.52 0.00
assign ((resid 49 and name HN )) ( (resid 85 and name HE2* )) 6.36 6.36 0.00
assign ((resid 49 and name HB )) ( (resid 53 and name HB* )) 6.38 6.38 0.00
assign ((resid 49 and name HG2* )) ( (resid 53 and name HB* )) 7.40 7.40 0.00
assign ((resid 49 and name HG2* )) ( (resid 53 and name HG* )) 7.40 7.40 0.00
assign ((resid 49 and name HG2* )) ( (resid 53 and name HE2* )) 7.38 7.38 0.00
assign ((resid 49 and name HG1* )) ( (resid 50 and name HN )) 6.38 6.38 0.00
assign ((resid 49 and name HG1* )) ( (resid 51 and name HA* )) 7.26 7.26 0.00
assign ((resid 49 and name HG1* )) ( (resid 85 and name HE2* )) 6.32 6.32 0.00
assign ((resid 49 and name HG11 )) ( (resid 85 and name HE21 )) 7.26 7.26 0.00
assign ((resid 49 and name HG11 )) ( (resid 85 and name HE22 )) 7.26 7.26 0.00
assign ((resid 49 and name HD1* )) ( (resid 53 and name HB* )) 7.40 7.40 0.00
assign ((resid 50 and name HN )) ( (resid 53 and name HB* )) 4.12 4.12 0.00
assign ((resid 50 and name HN )) ( (resid 53 and name HG* )) 6.38 6.38 0.00
assign ((resid 50 and name HA )) ( (resid 85 and name HE2* )) 6.36 6.36 0.00
assign ((resid 50 and name HB )) ( (resid 52 and name HB* )) 6.38 6.38 0.00
assign ((resid 50 and name HG2* )) ( (resid 53 and name HG* )) 7.40 7.40 0.00
assign ((resid 51 and name HA* )) ( (resid 54 and name HN )) 5.42 5.42 0.00
assign ((resid 51 and name HA* )) ( (resid 54 and name HB* )) 7.40 7.40 0.00
assign ((resid 51 and name HA* )) ( (resid 72 and name HZ3 )) 6.38 6.38 0.00
assign ((resid 52 and name HN )) ( (resid 52 and name HB* )) 3.18 3.18 0.00
assign ((resid 52 and name HA )) ( (resid 55 and name HB* )) 5.73 5.73 0.00
assign ((resid 53 and name HN )) ( (resid 53 and name HB* )) 3.81 3.81 0.00
assign ((resid 53 and name HN )) ( (resid 53 and name HG* )) 5.22 5.22 0.00
assign ((resid 53 and name HA )) ( (resid 53 and name HE2* )) 6.36 6.36 0.00
assign ((resid 53 and name HA )) ( (resid 56 and name HD2* )) 6.36 6.36 0.00
assign ((resid 53 and name HB1 )) ( (resid 53 and name HE21 )) 7.26 7.26 0.00
assign ((resid 53 and name HB1 )) ( (resid 53 and name HE22 )) 7.26 7.26 0.00
assign ((resid 53 and name HB* )) ( (resid 54 and name HN )) 3.89 3.89 0.00
assign ((resid 55 and name HN )) ( (resid 55 and name HG* )) 4.70 4.70 0.00
assign ((resid 55 and name HA )) ( (resid 58 and name HB* )) 6.29 6.29 0.00
assign ((resid 55 and name HB* )) ( (resid 56 and name HN )) 3.81 3.81 0.00
assign ((resid 55 and name HG* )) ( (resid 56 and name HN )) 6.38 6.38 0.00
assign ((resid 58 and name HB* )) ( (resid 68 and name HD1* )) 7.40 7.40 0.00
assign ((resid 58 and name HB* )) ( (resid 68 and name HD2* )) 5.78 5.78 0.00
assign ((resid 58 and name HB* )) ( (resid 95 and name HG2* )) 7.40 7.40 0.00
assign ((resid 58 and name HB* )) ( (resid 95 and name HD1* )) 6.10 6.10 0.00
assign ((resid 59 and name HN )) ( (resid 59 and name HB* )) 3.10 3.10 0.00
assign ((resid 59 and name HB* )) ( (resid 60 and name HN )) 4.14 4.14 0.00
assign ((resid 59 and name HB* )) ( (resid 68 and name HD1* )) 7.40 7.40 0.00
assign ((resid 60 and name HN )) ( (resid 60 and name HB* )) 3.63 3.63 0.00
assign ((resid 60 and name HN )) ( (resid 60 and name HE2* )) 6.36 6.36 0.00
assign ((resid 60 and name HA )) ( (resid 60 and name HE2* )) 6.36 6.36 0.00
assign ((resid 60 and name HE2* )) ( (resid 61 and name HN )) 6.36 6.36 0.00
assign ((resid 61 and name HB* )) ( (resid 62 and name HN )) 4.03 4.03 0.00
assign ((resid 61 and name HB* )) ( (resid 63 and name HN )) 6.26 6.26 0.00
assign ((resid 61 and name HB* )) ( (resid 63 and name HD1* )) 6.97 6.97 0.00
assign ((resid 61 and name HB* )) ( (resid 68 and name HD2* )) 7.40 7.40 0.00
assign ((resid 61 and name HB* )) ( (resid 95 and name HG2* )) 5.17 5.17 0.00
assign ((resid 61 and name HB* )) ( (resid 99 and name HD* )) 7.24 7.24 0.00
assign ((resid 61 and name HB2 )) ( (resid 99 and name HD1* )) 8.28 8.28 0.00
assign ((resid 61 and name HB2 )) ( (resid 99 and name HD2* )) 8.28 8.28 0.00
assign ((resid 62 and name HA* )) ( (resid 99 and name HD* )) 8.94 8.94 0.00
assign ((resid 63 and name HN )) ( (resid 63 and name HB* )) 3.85 3.85 0.00
assign ((resid 63 and name HA )) ( (resid 64 and name HD* )) 3.48 3.48 0.00
assign ((resid 63 and name HA )) ( (resid 99 and name HD* )) 8.07 8.07 0.00
assign ((resid 63 and name HB* )) ( (resid 64 and name HD* )) 5.24 5.24 0.00
assign ((resid 63 and name HB* )) ( (resid 67 and name HB )) 6.04 6.04 0.00
assign ((resid 63 and name HB* )) ( (resid 67 and name HG1* )) 6.10 6.10 0.00
assign ((resid 63 and name HB* )) ( (resid 67 and name HG2* )) 7.40 7.40 0.00
assign ((resid 63 and name HB* )) ( (resid 68 and name HN )) 5.23 5.23 0.00
assign ((resid 63 and name HB* )) ( (resid 68 and name HA )) 6.38 6.38 0.00
assign ((resid 63 and name HB* )) ( (resid 68 and name HD2* )) 7.40 7.40 0.00
assign ((resid 63 and name HB* )) ( (resid 71 and name HD1* )) 7.40 7.40 0.00
assign ((resid 63 and name HB* )) ( (resid 95 and name HG2* )) 7.40 7.40 0.00
assign ((resid 63 and name HD1* )) ( (resid 98 and name HB* )) 5.80 5.80 0.00
assign ((resid 63 and name HD1* )) ( (resid 98 and name HD* )) 7.40 7.40 0.00
assign ((resid 63 and name HD2* )) ( (resid 64 and name HG* )) 7.19 7.19 0.00
assign ((resid 63 and name HD2* )) ( (resid 64 and name HD* )) 5.27 5.27 0.00
assign ((resid 63 and name HD2* )) ( (resid 98 and name HB* )) 5.71 5.71 0.00
assign ((resid 63 and name HD2* )) ( (resid 98 and name HG* )) 6.08 6.08 0.00
assign ((resid 63 and name HD2* )) ( (resid 98 and name HE* )) 5.77 5.77 0.00
assign ((resid 64 and name HB2 )) ( (resid 66 and name HD* )) 4.94 4.94 0.00
assign ((resid 64 and name HB1 )) ( (resid 66 and name HD* )) 4.91 4.91 0.00
assign ((resid 64 and name HG* )) ( (resid 67 and name HN )) 6.39 6.39 0.00
assign ((resid 64 and name HG* )) ( (resid 67 and name HG2* )) 5.52 5.52 0.00
assign ((resid 64 and name HD* )) ( (resid 67 and name HB )) 5.93 5.93 0.00
assign ((resid 64 and name HD* )) ( (resid 67 and name HG1* )) 6.39 6.39 0.00
assign ((resid 64 and name HD* )) ( (resid 67 and name HG2* )) 5.85 5.85 0.00
assign ((resid 64 and name HD* )) ( (resid 68 and name HD2* )) 7.41 7.41 0.00
assign ((resid 65 and name HB* )) ( (resid 67 and name HN )) 6.38 6.38 0.00
assign ((resid 65 and name HG* )) ( (resid 66 and name HD* )) 7.27 7.27 0.00
assign ((resid 65 and name HG* )) ( (resid 67 and name HN )) 6.38 6.38 0.00
assign ((resid 65 and name HG* )) ( (resid 69 and name HB* )) 6.38 6.38 0.00
assign ((resid 66 and name HB* )) ( (resid 67 and name HN )) 4.42 4.42 0.00
assign ((resid 66 and name HB* )) ( (resid 67 and name HA )) 5.92 5.92 0.00
assign ((resid 66 and name HB* )) ( (resid 67 and name HG2* )) 5.76 5.76 0.00
assign ((resid 66 and name HG* )) ( (resid 67 and name HN )) 5.11 5.11 0.00
assign ((resid 66 and name HG* )) ( (resid 67 and name HG2* )) 7.41 7.41 0.00
assign ((resid 66 and name HD* )) ( (resid 67 and name HN )) 5.09 5.09 0.00
assign ((resid 66 and name HD* )) ( (resid 67 and name HG2* )) 7.41 7.41 0.00
assign ((resid 67 and name HN )) ( (resid 70 and name HG* )) 6.38 6.38 0.00
assign ((resid 67 and name HA )) ( (resid 70 and name HB* )) 4.06 4.06 0.00
assign ((resid 67 and name HG1* )) ( (resid 70 and name HG* )) 7.40 7.40 0.00
assign ((resid 67 and name HG1* )) ( (resid 98 and name HB* )) 6.81 6.81 0.00
assign ((resid 67 and name HG1* )) ( (resid 98 and name HD* )) 6.11 6.11 0.00
assign ((resid 67 and name HG1* )) ( (resid 98 and name HE* )) 5.49 5.49 0.00
assign ((resid 67 and name HG2* )) ( (resid 70 and name HG* )) 7.40 7.40 0.00
assign ((resid 67 and name HG2* )) ( (resid 98 and name HD* )) 7.40 7.40 0.00
assign ((resid 67 and name HG2* )) ( (resid 98 and name HE* )) 5.95 5.95 0.00
assign ((resid 70 and name HN )) ( (resid 70 and name HB* )) 3.02 3.02 0.00
assign ((resid 70 and name HN )) ( (resid 71 and name HG1* )) 6.38 6.38 0.00
assign ((resid 70 and name HB* )) ( (resid 71 and name HN )) 3.89 3.89 0.00
assign ((resid 70 and name HB* )) ( (resid 71 and name HG1* )) 7.26 7.26 0.00
assign ((resid 70 and name HB* )) ( (resid 73 and name HN )) 6.38 6.38 0.00
assign ((resid 70 and name HB* )) ( (resid 74 and name HD1* )) 5.90 5.90 0.00
assign ((resid 70 and name HG* )) ( (resid 73 and name HN )) 6.38 6.38 0.00
assign ((resid 70 and name HG* )) ( (resid 73 and name HB* )) 6.32 6.32 0.00
assign ((resid 70 and name HG* )) ( (resid 74 and name HG )) 6.38 6.38 0.00
assign ((resid 70 and name HG* )) ( (resid 74 and name HD1* )) 6.11 6.11 0.00
assign ((resid 70 and name HE2* )) ( (resid 73 and name HN )) 6.36 6.36 0.00
assign ((resid 70 and name HE2* )) ( (resid 73 and name HB* )) 7.38 7.38 0.00
assign ((resid 70 and name HE2* )) ( (resid 74 and name HD2* )) 7.38 7.38 0.00
assign ((resid 71 and name HA )) ( (resid 94 and name HB* )) 6.38 6.38 0.00
assign ((resid 71 and name HB )) ( (resid 94 and name HD* )) 8.07 8.07 0.00
assign ((resid 71 and name HG2* )) ( (resid 94 and name HB* )) 5.54 5.54 0.00
assign ((resid 71 and name HG2* )) ( (resid 94 and name HD* )) 9.09 9.09 0.00
assign ((resid 71 and name HG1* )) ( (resid 74 and name HB2 )) 6.38 6.38 0.00
assign ((resid 71 and name HG1* )) ( (resid 95 and name HB )) 6.38 6.38 0.00
assign ((resid 71 and name HG1* )) ( (resid 95 and name HD1* )) 5.79 5.79 0.00
assign ((resid 71 and name HG1* )) ( (resid 98 and name HB* )) 6.32 6.32 0.00
assign ((resid 71 and name HG12 )) ( (resid 98 and name HB2 )) 7.26 7.26 0.00
assign ((resid 71 and name HG11 )) ( (resid 98 and name HB2 )) 7.26 7.26 0.00
assign ((resid 71 and name HD1* )) ( (resid 94 and name HB* )) 7.40 7.40 0.00
assign ((resid 71 and name HD1* )) ( (resid 94 and name HD* )) 8.16 8.16 0.00
assign ((resid 72 and name HD1 )) ( (resid 76 and name HB* )) 6.38 6.38 0.00
assign ((resid 72 and name HZ2 )) ( (resid 76 and name HB* )) 6.38 6.38 0.00
assign ((resid 73 and name HN )) ( (resid 94 and name HD* )) 8.07 8.07 0.00
assign ((resid 73 and name HB* )) ( (resid 79 and name HD2* )) 7.38 7.38 0.00
assign ((resid 74 and name HN )) ( (resid 106 and name HB* )) 6.38 6.38 0.00
assign ((resid 74 and name HD2* )) ( (resid 108 and name HB* )) 6.37 6.37 0.00
assign ((resid 75 and name HA )) ( (resid 90 and name HG1* )) 6.38 6.38 0.00
assign ((resid 75 and name HA )) ( (resid 94 and name HB* )) 6.38 6.38 0.00
assign ((resid 76 and name HN )) ( (resid 76 and name HB* )) 3.13 3.13 0.00
assign ((resid 76 and name HB* )) ( (resid 79 and name HN )) 6.38 6.38 0.00
assign ((resid 76 and name HB* )) ( (resid 80 and name HN )) 6.38 6.38 0.00
assign ((resid 76 and name HB* )) ( (resid 83 and name HE* )) 7.21 7.21 0.00
assign ((resid 77 and name HN )) ( (resid 79 and name HB* )) 6.38 6.38 0.00
assign ((resid 77 and name HG* )) ( (resid 78 and name HN )) 5.32 5.32 0.00
assign ((resid 77 and name HG* )) ( (resid 90 and name HG2* )) 7.40 7.40 0.00
assign ((resid 77 and name HG* )) ( (resid 90 and name HD1* )) 6.34 6.34 0.00
assign ((resid 77 and name HE* )) ( (resid 90 and name HG1* )) 5.14 5.14 0.00
assign ((resid 78 and name HN )) ( (resid 87 and name HG* )) 6.38 6.38 0.00
assign ((resid 78 and name HD2* )) ( (resid 80 and name HA )) 6.36 6.36 0.00
assign ((resid 79 and name HN )) ( (resid 79 and name HB* )) 3.53 3.53 0.00
assign ((resid 79 and name HA )) ( (resid 87 and name HG* )) 6.38 6.38 0.00
assign ((resid 79 and name HD2* )) ( (resid 83 and name HN )) 6.36 6.36 0.00
assign ((resid 80 and name HN )) ( (resid 80 and name HB* )) 3.60 3.60 0.00
assign ((resid 82 and name HN )) ( (resid 82 and name HG* )) 5.17 5.17 0.00
assign ((resid 82 and name HB* )) ( (resid 83 and name HN )) 3.44 3.44 0.00
assign ((resid 82 and name HD* )) ( (resid 83 and name HN )) 6.38 6.38 0.00
assign ((resid 83 and name HN )) ( (resid 83 and name HB* )) 3.82 3.82 0.00
assign ((resid 83 and name HB* )) ( (resid 84 and name HN )) 4.28 4.28 0.00
assign ((resid 83 and name HB* )) ( (resid 87 and name HB* )) 6.32 6.32 0.00
assign ((resid 83 and name HB1 )) ( (resid 87 and name HB2 )) 7.26 7.26 0.00
assign ((resid 83 and name HB1 )) ( (resid 87 and name HB1 )) 7.26 7.26 0.00
assign ((resid 83 and name HG* )) ( (resid 84 and name HN )) 5.14 5.14 0.00
assign ((resid 83 and name HE* )) ( (resid 87 and name HB* )) 6.28 6.28 0.00
assign ((resid 84 and name HN )) ( (resid 87 and name HB* )) 4.15 4.15 0.00
assign ((resid 84 and name HB* )) ( (resid 85 and name HN )) 3.50 3.50 0.00
assign ((resid 84 and name HB* )) ( (resid 86 and name HN )) 5.54 5.54 0.00
assign ((resid 84 and name HB* )) ( (resid 86 and name HG* )) 7.24 7.24 0.00
assign ((resid 84 and name HB1 )) ( (resid 86 and name HG1* )) 8.28 8.28 0.00
assign ((resid 84 and name HB1 )) ( (resid 86 and name HG2* )) 8.28 8.28 0.00
assign ((resid 85 and name HN )) ( (resid 85 and name HB* )) 3.62 3.62 0.00
assign ((resid 85 and name HN )) ( (resid 85 and name HG* )) 4.82 4.82 0.00
assign ((resid 85 and name HN )) ( (resid 86 and name HG* )) 8.07 8.07 0.00
assign ((resid 85 and name HA )) ( (resid 88 and name HB* )) 4.50 4.50 0.00
assign ((resid 85 and name HB* )) ( (resid 89 and name HA )) 6.38 6.38 0.00
assign ((resid 86 and name HG* )) ( (resid 90 and name HN )) 8.07 8.07 0.00
assign ((resid 87 and name HN )) ( (resid 87 and name HG* )) 5.02 5.02 0.00
assign ((resid 87 and name HB* )) ( (resid 90 and name HG2* )) 7.40 7.40 0.00
assign ((resid 88 and name HB* )) ( (resid 89 and name HN )) 4.16 4.16 0.00
assign ((resid 90 and name HG1* )) ( (resid 94 and name HN )) 6.38 6.38 0.00
assign ((resid 90 and name HG1* )) ( (resid 112 and name HE* )) 7.40 7.40 0.00
assign ((resid 90 and name HG1* )) ( (resid 113 and name HA )) 5.70 5.70 0.00
assign ((resid 90 and name HD1* )) ( (resid 113 and name HB* )) 7.40 7.40 0.00
assign ((resid 94 and name HA )) ( (resid 97 and name HB* )) 4.83 4.83 0.00
assign ((resid 94 and name HB* )) ( (resid 95 and name HN )) 3.22 3.22 0.00
assign ((resid 94 and name HB* )) ( (resid 95 and name HA )) 5.20 5.20 0.00
assign ((resid 94 and name HB* )) ( (resid 95 and name HG1* )) 7.26 7.26 0.00
assign ((resid 94 and name HB* )) ( (resid 95 and name HD1* )) 7.40 7.40 0.00
assign ((resid 94 and name HD* )) ( (resid 95 and name HA )) 8.07 8.07 0.00
assign ((resid 94 and name HD* )) ( (resid 97 and name HD2* )) 9.09 9.09 0.00
assign ((resid 95 and name HA )) ( (resid 98 and name HB* )) 5.23 5.23 0.00
assign ((resid 95 and name HG2* )) ( (resid 98 and name HB* )) 7.40 7.40 0.00
assign ((resid 96 and name HA )) ( (resid 99 and name HD* )) 8.07 8.07 0.00
assign ((resid 96 and name HB* )) ( (resid 97 and name HN )) 4.36 4.36 0.00
assign ((resid 97 and name HA )) ( (resid 100 and name HB* )) 4.52 4.52 0.00
assign ((resid 97 and name HA )) ( (resid 100 and name HG* )) 6.38 6.38 0.00
assign ((resid 97 and name HB* )) ( (resid 102 and name HN )) 6.38 6.38 0.00
assign ((resid 97 and name HB* )) ( (resid 102 and name HB* )) 5.83 5.83 0.00
assign ((resid 97 and name HB2 )) ( (resid 102 and name HB2 )) 7.20 7.20 0.00
assign ((resid 97 and name HB* )) ( (resid 102 and name HE* )) 8.51 8.51 0.00
assign ((resid 97 and name HG )) ( (resid 100 and name HG* )) 6.38 6.38 0.00
assign ((resid 97 and name HD1* )) ( (resid 100 and name HG* )) 7.40 7.40 0.00
assign ((resid 97 and name HD2* )) ( (resid 100 and name HG* )) 7.40 7.40 0.00
assign ((resid 98 and name HA )) ( (resid 98 and name HD* )) 6.38 6.38 0.00
assign ((resid 98 and name HB* )) ( (resid 98 and name HE* )) 5.28 5.28 0.00
assign ((resid 98 and name HB* )) ( (resid 99 and name HN )) 3.68 3.68 0.00
assign ((resid 98 and name HD* )) ( (resid 99 and name HN )) 6.38 6.38 0.00
assign ((resid 100 and name HN )) ( (resid 100 and name HG* )) 5.02 5.02 0.00
assign ((resid 100 and name HB* )) ( (resid 102 and name HD* )) 8.51 8.51 0.00
assign ((resid 100 and name HG* )) ( (resid 101 and name HN )) 6.38 6.38 0.00
assign ((resid 100 and name HG* )) ( (resid 102 and name HE* )) 8.51 8.51 0.00
assign ((resid 102 and name HN )) ( (resid 102 and name HB* )) 3.36 3.36 0.00
assign ((resid 102 and name HA )) ( (resid 103 and name HB* )) 5.64 5.64 0.00
assign ((resid 102 and name HB* )) ( (resid 103 and name HN )) 3.42 3.42 0.00
assign ((resid 105 and name HG* )) ( (resid 107 and name HN )) 5.43 5.43 0.00
assign ((resid 106 and name HN )) ( (resid 106 and name HB* )) 3.66 3.66 0.00
assign ((resid 106 and name HB* )) ( (resid 107 and name HN )) 4.04 4.04 0.00
assign ((resid 108 and name HD1* )) ( (resid 112 and name HB* )) 7.40 7.40 0.00
assign ((resid 108 and name HD1* )) ( (resid 112 and name HG* )) 7.40 7.40 0.00
assign ((resid 110 and name HB* )) ( (resid 111 and name HN )) 3.97 3.97 0.00
assign ((resid 110 and name HB* )) ( (resid 113 and name HD* )) 7.27 7.27 0.00
assign ((resid 111 and name HN )) ( (resid 113 and name HD* )) 6.38 6.38 0.00
assign ((resid 111 and name HA )) ( (resid 113 and name HD* )) 6.38 6.38 0.00
assign ((resid 111 and name HA )) ( (resid 114 and name HB* )) 5.17 5.17 0.00
assign ((resid 111 and name HA )) ( (resid 114 and name HG* )) 4.73 4.73 0.00
assign ((resid 111 and name HG1* )) ( (resid 114 and name HB* )) 7.40 7.40 0.00
assign ((resid 111 and name HG2* )) ( (resid 112 and name HB* )) 7.40 7.40 0.00
assign ((resid 112 and name HN )) ( (resid 112 and name HB* )) 3.42 3.42 0.00
assign ((resid 112 and name HN )) ( (resid 112 and name HG* )) 4.11 4.11 0.00
assign ((resid 112 and name HN )) ( (resid 113 and name HG* )) 6.07 6.07 0.00
assign ((resid 112 and name HN )) ( (resid 113 and name HD* )) 6.38 6.38 0.00
assign ((resid 112 and name HG* )) ( (resid 113 and name HN )) 5.33 5.33 0.00
assign ((resid 113 and name HN )) ( (resid 113 and name HB* )) 3.63 3.63 0.00
assign ((resid 113 and name HN )) ( (resid 113 and name HG* )) 5.27 5.27 0.00
assign ((resid 113 and name HN )) ( (resid 114 and name HB* )) 5.73 5.73 0.00
assign ((resid 114 and name HN )) ( (resid 114 and name HB* )) 3.73 3.73 0.00
assign ((resid 114 and name HB* )) ( (resid 115 and name HN )) 3.53 3.53 0.00
assign ((resid 115 and name HA )) ( (resid 116 and name HD* )) 3.62 3.62 0.00
assign ((resid 115 and name HB2 )) ( (resid 116 and name HD* )) 6.39 6.39 0.00
assign ((resid 116 and name HB* )) ( (resid 117 and name HN )) 4.36 4.36 0.00
assign ((resid 117 and name HG* )) ( (resid 118 and name HA )) 6.83 6.83 0.00
assign ((resid 119 and name HN )) ( (resid 119 and name HG1* )) 4.55 4.55 0.00
list of removed NOE constraints
350-> ASP 80 HN - GLY 81 HA1 0.00 4.97 # NoRestrctn S [2.00 3.99] -- sequential
355-> SER 106 HN - ALA 107 HA 0.00 5.04 # NoRestrctn S [2.00 3.99] -- sequential
539-> LEU 22 HN - LEU 22 HD1* 0.00 6.52 # NoRestrctn I [2.29 6.01] -- intra
540-> LEU 22 HN - LEU 22 HD2* 0.00 6.52 # NoRestrctn I [2.29 6.01] -- intra
548-> LEU 68 HN - LEU 68 HD2* 0.00 6.12 # NoRestrctn I [2.29 6.01] -- intra
551-> LEU 74 HN - LEU 74 HD1* 0.00 6.52 # NoRestrctn I [2.29 6.01] -- intra
553-> LEU 94 HN - LEU 94 HD1* 0.00 6.52 # NoRestrctn I [2.29 6.01] -- intra
554-> LEU 94 HN - LEU 94 HD2* 0.00 6.52 # NoRestrctn I [2.29 6.01] -- intra
556-> LEU 108 HN - LEU 108 HD1* 0.00 6.33 # NoRestrctn I [2.29 6.01] -- intra
557-> LEU 108 HN - LEU 108 HD2* 0.00 6.12 # NoRestrctn I [2.29 6.01] -- intra
588-> LEU 74 HN - ALA 75 HB* 0.00 6.43 # NoRestrctn S [2.00 6.01] -- sequential
596-> SER 106 HN - ALA 107 HB* 0.00 6.52 # NoRestrctn S [2.00 6.01] -- sequential
890-> GLN 115 HA - PRO 116 HD2 0.00 3.98 # NoRestrctn S [2.00 3.95] -- sequential
891-> GLN 115 HA - PRO 116 HD1 0.00 3.98 # NoRestrctn S [2.00 3.95] -- sequential
939-> ILE 27 HN - ILE 27 HD1* 0.00 6.52 # NoRestrctn I [2.29 6.01] -- intra
943-> ILE 45 HN - ILE 45 HD1* 0.00 6.52 # NoRestrctn I [2.29 6.01] -- intra
944-> ILE 49 HN - ILE 49 HD1* 0.00 6.52 # NoRestrctn I [2.29 6.01] -- intra
946-> LEU 63 HA - LEU 63 HD1* 0.00 6.52 # NoRestrctn I [2.11 5.99] -- intra
952-> ILE 90 HN - ILE 90 HD1* 0.00 6.52 # NoRestrctn I [2.29 6.01] -- intra
955-> LEU 97 HN - LEU 97 HD1* 0.00 6.52 # NoRestrctn I [2.29 6.01] -- intra
957-> LEU 97 HN - LEU 97 HD2* 0.00 6.15 # NoRestrctn I [2.29 6.01] -- intra
959-> LEU 99 HN - LEU 99 HD1* 0.00 6.52 # NoRestrctn I [2.29 6.01] -- intra
961-> LEU 99 HN - LEU 99 HD2* 0.00 6.52 # NoRestrctn I [2.29 6.01] -- intra
964-> LEU 108 HA - LEU 108 HD2* 0.00 6.49 # NoRestrctn I [2.11 5.99] -- intra
965-> ILE 119 HN - ILE 119 HD1* 0.00 6.52 # NoRestrctn I [2.29 6.01] -- intra
989-> TRP 25 HN - ALA 26 HB* 0.00 6.52 # NoRestrctn S [2.00 6.01] -- sequential
1006-> TRP 72 HN - ALA 73 HB* 0.00 6.52 # NoRestrctn S [2.00 6.01] -- sequential
1014-> VAL 117 HN - ALA 118 HB* 0.00 6.52 # NoRestrctn S [2.00 6.01] -- sequential
1131-> ALA 73 HB* - LEU 74 HA 0.00 6.52 # NoRestrctn S [2.00 6.01] -- sequential
1229-> ALA 54 HB* - ARG 55 HA 0.00 6.52 # NoRestrctn S [2.00 6.01] -- sequential
1265-> VAL 117 HA - ALA 118 HB* 0.00 6.52 # NoRestrctn S [2.00 6.01] -- sequential
1400-> ASN 56 HN - ASN 56 HD2* 0.00 6.36 # NoRestrctn I [2.29 6.01] -- intra
1591-> MET 112 HN - LYS 113 HB* 0.00 6.38 # NoRestrctn S [2.00 6.01] -- sequential
====== TOTAL ======: 33
table of distance constraints violations
Residual Violations greater than 0.10
5-> SER 21 HA - LEU 22 HN [ 0.00 3.14] 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 0.27 0.00 0.00 0.29 0.00 - 3 [ 0.24 .. 0.29]
8-> LEU 22 HA - ASP 23 HN [ 0.00 3.33] 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.12 0.00 - 3 [ 0.10 .. 0.17]
9-> LEU 22 HB2 - ASP 23 HN [ 0.00 4.07] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.14 .. 0.15]
10-> LEU 22 HB3 - ASP 23 HN [ 0.00 4.07] 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.07 0.19 0.38 0.00 0.21 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 - 6 [ 0.07 .. 0.38]
11-> ASP 23 HN - THR 24 HN [ 0.00 4.07] 0.00 0.20 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.01 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.01 .. 0.51]
12-> ASP 23 HA - THR 24 HN [ 0.00 3.17] 0.34 0.00 0.00 0.00 0.02 0.00 0.03 0.34 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.02 .. 0.36]
16-> THR 24 HB - TRP 25 HN [ 0.00 3.64] 0.00 0.00 0.41 0.63 0.43 0.42 0.00 0.00 0.49 0.00 0.00 0.46 0.00 0.00 0.08 0.00 0.69 0.75 0.00 0.00 - 9 [ 0.08 .. 0.75]
19-> TRP 25 HB3 - ALA 26 HN [ 0.00 3.92] 0.44 0.62 0.47 0.00 0.31 0.47 0.46 0.00 0.00 0.00 0.03 0.13 0.00 0.31 0.00 0.47 0.14 0.26 0.24 0.00 - 14 [ 0.00 .. 0.62]
27-> ARG 32 HB2 - ALA 33 HN [ 0.00 3.70] 0.00 0.00 0.06 0.00 0.00 0.40 0.00 0.16 0.23 0.23 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.21 0.19 0.00 - 8 [ 0.06 .. 0.40]
30-> HIS 35 HB2 - ASP 36 HN [ 0.00 3.95] 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.33 0.33 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.29 .. 0.33]
43-> PRO 44 HB2 - ILE 45 HN [ 0.00 3.73] 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.25 .. 0.25]
78-> VAL 67 HB - LEU 68 HN [ 0.00 3.48] 0.00 0.00 0.00 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 - 1 [ 0.49 .. 0.49]
81-> LEU 68 HB3 - ALA 69 HN [ 0.00 3.39] 0.25 0.32 0.00 0.28 0.26 0.00 0.35 0.00 0.51 0.00 0.31 0.00 0.00 0.25 0.28 0.47 0.25 0.17 0.00 0.30 - 13 [ 0.17 .. 0.51]
86-> TRP 72 HB3 - ALA 73 HN [ 0.00 3.02] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 - 1 [ 0.53 .. 0.53]
88-> LEU 74 HB2 - ALA 75 HN [ 0.00 3.30] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.49 .. 0.49]
89-> LEU 74 HB3 - ALA 75 HN [ 0.00 3.48] 0.00 0.00 0.00 0.12 0.00 0.35 0.00 0.19 0.00 0.00 0.06 0.00 0.00 0.00 0.25 0.32 0.00 0.37 0.20 0.23 - 9 [ 0.06 .. 0.37]
94-> MET 77 HB2 - ASN 78 HN [ 0.00 3.64] 0.00 0.00 0.25 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.17 - 5 [ 0.17 .. 0.40]
95-> MET 77 HB3 - ASN 78 HN [ 0.00 3.92] 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.25 0.00 0.00 0.00 0.34 0.44 - 5 [ 0.25 .. 0.44]
97-> ASN 79 HA - ASP 80 HN [ 0.00 2.71] 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.09 .. 0.11]
98-> ASN 79 HB2 - ASP 80 HN [ 0.00 4.66] 0.00 0.00 0.10 0.09 0.02 0.01 0.00 0.07 0.10 0.00 0.00 0.05 0.09 0.00 0.00 0.10 0.14 0.02 0.09 0.10 - 13 [ 0.01 .. 0.14]
103-> ARG 82 HA - MET 83 HN [ 0.00 3.36] 0.10 0.16 0.13 0.14 0.00 0.10 0.08 0.11 0.13 0.10 0.09 0.14 0.10 0.00 0.00 0.15 0.10 0.14 0.12 0.08 - 17 [ 0.08 .. 0.16]
104-> ARG 82 HB2 - MET 83 HN [ 0.00 3.67] 0.00 0.00 0.00 0.00 0.35 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.08 .. 0.35]
105-> ARG 82 HB3 - MET 83 HN [ 0.00 3.67] 0.00 0.00 0.00 0.00 0.25 0.00 0.28 0.00 0.10 0.14 0.14 0.00 0.11 0.29 0.36 0.00 0.14 0.00 0.00 0.35 - 10 [ 0.10 .. 0.36]
111-> ASP 84 HB2 - GLN 85 HN [ 0.00 3.70] 0.00 0.00 0.25 0.00 0.13 0.00 0.21 0.00 0.19 0.00 0.00 0.00 0.00 0.20 0.13 0.09 0.12 0.00 0.00 0.00 - 8 [ 0.09 .. 0.25]
120-> LEU 94 HB2 - ILE 95 HN [ 0.00 3.55] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.33 .. 0.33]
121-> LEU 94 HB3 - ILE 95 HN [ 0.00 3.55] 0.00 0.00 0.00 0.00 0.23 0.00 0.10 0.00 0.04 0.00 0.00 0.09 0.26 0.00 0.05 0.05 0.00 0.00 0.02 0.09 - 10 [ 0.00 .. 0.26]
133-> TYR 102 HB2 - GLN 103 HN [ 0.00 3.61] 0.38 0.43 0.35 0.00 0.56 0.24 0.20 0.31 0.55 0.51 0.42 0.00 0.00 0.00 0.34 0.36 0.29 0.63 0.34 0.33 - 16 [ 0.20 .. 0.63]
134-> TYR 102 HB3 - GLN 103 HN [ 0.00 3.61] 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.56 .. 0.63]
143-> VAL 111 HB - MET 112 HN [ 0.00 3.95] 0.10 0.10 0.00 0.27 0.00 0.28 0.00 0.13 0.00 0.00 0.22 0.00 0.00 0.19 0.26 0.00 0.07 0.09 0.30 0.17 - 12 [ 0.07 .. 0.30]
147-> GLN 114 HA - GLN 115 HN [ 0.00 2.96] 0.27 0.00 0.00 0.19 0.00 0.15 0.08 0.14 0.31 0.17 0.00 0.00 0.02 0.35 0.28 0.50 0.28 0.00 0.00 0.00 - 12 [ 0.02 .. 0.50]
148-> GLN 114 HB2 - GLN 115 HN [ 0.00 3.70] 0.00 0.00 0.38 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.28 - 5 [ 0.12 .. 0.64]
149-> GLN 114 HB3 - GLN 115 HN [ 0.00 3.70] 0.00 0.00 0.64 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 0.00 0.00 - 2 [ 0.45 .. 0.64]
153-> VAL 117 HB - ALA 118 HN [ 0.00 3.64] 0.57 0.58 0.48 0.47 0.62 0.61 0.56 0.42 0.56 0.66 0.71 0.56 0.68 0.66 0.60 0.00 0.00 0.00 0.75 0.56 - 17 [ 0.42 .. 0.75]
154-> ALA 118 HN - ILE 119 HN [ 0.00 4.04] 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.23 .. 0.27]
157-> LEU 22 HN - LEU 22 HB3 [ 0.00 3.86] 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.24 0.00 0.00 0.29 0.00 0.00 0.00 - 4 [ 0.23 .. 0.29]
158-> ASP 23 HN - ASP 23 HB2 [ 0.00 3.70] 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 0.01 0.04 0.00 0.00 0.00 0.00 - 3 [ 0.01 .. 0.29]
159-> THR 24 HN - THR 24 HB [ 0.00 3.58] 0.00 0.21 0.22 0.11 0.11 0.07 0.00 0.00 0.05 0.00 0.00 0.10 0.00 0.00 0.28 0.00 0.20 0.21 0.00 0.00 - 10 [ 0.05 .. 0.28]
161-> TRP 25 HN - TRP 25 HB3 [ 0.00 3.58] 0.12 0.00 0.16 0.05 0.17 0.07 0.13 0.00 0.05 0.02 0.03 0.00 0.02 0.03 0.00 0.14 0.03 0.09 0.08 0.10 - 16 [ 0.02 .. 0.17]
163-> VAL 29 HN - VAL 29 HB [ 0.00 2.99] 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.64 .. 0.64]
164-> GLU 30 HN - GLU 30 HB3 [ 0.00 3.39] 0.00 0.00 0.00 0.00 0.20 0.00 0.22 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 - 3 [ 0.18 .. 0.22]
170-> SER 41 HN - SER 41 HB2 [ 0.00 3.48] 0.09 0.11 0.00 0.09 0.00 0.10 0.00 0.09 0.11 0.11 0.10 0.11 0.12 0.09 0.09 0.00 0.09 0.08 0.11 0.00 - 15 [ 0.08 .. 0.12]
171-> SER 41 HN - SER 41 HB3 [ 0.00 3.48] 0.00 0.00 0.10 0.00 0.10 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.12 - 5 [ 0.07 .. 0.12]
176-> PHE 48 HN - PHE 48 HB2 [ 0.00 3.86] 0.08 0.14 0.00 0.09 0.00 0.07 0.12 0.09 0.10 0.00 0.12 0.11 0.11 0.10 0.00 0.10 0.08 0.13 0.00 0.00 - 14 [ 0.07 .. 0.14]
179-> ASP 52 HN - ASP 52 HB3 [ 0.00 3.48] 0.08 0.08 0.00 0.09 0.07 0.08 0.07 0.07 0.09 0.09 0.11 0.07 0.06 0.08 0.08 0.08 0.08 0.11 0.08 0.10 - 19 [ 0.06 .. 0.11]
193-> VAL 67 HN - VAL 67 HB [ 0.00 3.02] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.64 .. 0.64]
196-> GLN 70 HN - GLN 70 HB3 [ 0.00 3.24] 0.00 0.32 0.00 0.31 0.00 0.30 0.00 0.31 0.00 0.31 0.00 0.32 0.00 0.33 0.33 0.34 0.00 0.32 0.00 0.31 - 11 [ 0.30 .. 0.34]
198-> TRP 72 HN - TRP 72 HB3 [ 0.00 3.30] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 - 1 [ 0.30 .. 0.30]
200-> LEU 74 HN - LEU 74 HB3 [ 0.00 3.45] 0.09 0.11 0.10 0.13 0.00 0.11 0.11 0.11 0.11 0.09 0.11 0.11 0.00 0.00 0.11 0.14 0.10 0.14 0.12 0.12 - 17 [ 0.09 .. 0.14]
209-> ASN 79 HN - ASN 79 HB3 [ 0.00 3.76] 0.06 0.13 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.12 0.00 0.00 0.11 0.12 0.00 0.00 0.00 0.00 0.00 - 6 [ 0.06 .. 0.13]
214-> ASP 84 HN - ASP 84 HB2 [ 0.00 3.86] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.25 - 2 [ 0.04 .. 0.25]
224-> LYS 96 HN - LYS 96 HB3 [ 0.00 3.30] 0.00 0.00 0.00 0.28 0.27 0.00 0.27 0.28 0.00 0.28 0.00 0.27 0.00 0.00 0.00 0.27 0.25 0.00 0.00 0.27 - 9 [ 0.25 .. 0.28]
232-> VAL 111 HN - VAL 111 HB [ 0.00 3.08] 0.55 0.56 0.00 0.58 0.00 0.59 0.00 0.57 0.00 0.00 0.58 0.00 0.00 0.56 0.58 0.00 0.55 0.56 0.62 0.58 - 12 [ 0.55 .. 0.62]
239-> GLN 115 HN - GLN 115 HB2 [ 0.00 3.86] 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.16 .. 0.16]
240-> GLN 115 HN - GLN 115 HB3 [ 0.00 3.21] 0.47 0.00 0.00 0.37 0.77 0.30 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.53 0.88 0.00 0.00 0.87 - 8 [ 0.30 .. 0.88]
241-> ILE 119 HN - ILE 119 HB [ 0.00 3.33] 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.27 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.11 .. 0.30]
267-> ASP 76 HN - MET 77 HN [ 0.00 4.07] 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.14 0.00 0.03 0.13 0.16 - 6 [ 0.03 .. 0.16]
291-> ILE 45 HN - PHE 48 HN [ 0.00 3.70] 0.00 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 - 1 [ 1.19 .. 1.19]
292-> ILE 45 HN - ILE 49 HA [ 0.00 5.25] 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.37 .. 0.37]
295-> SER 61 HN - LEU 63 HN [ 0.00 4.66] 0.00 0.00 0.00 0.00 0.00 0.00 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 - 1 [ 0.22 .. 0.22]
297-> ALA 69 HN - ILE 71 HN [ 0.00 4.23] 0.00 0.00 0.12 0.00 0.00 0.13 0.00 0.05 0.00 0.00 0.00 0.19 0.04 0.00 0.00 0.00 0.00 0.00 0.30 0.00 - 6 [ 0.04 .. 0.30]
299-> ASP 80 HN - ARG 82 HN [ 0.00 3.95] 0.25 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.24 .. 0.34]
303-> ILE 95 HN - LYS 98 HN [ 0.00 4.66] 0.00 0.00 0.00 0.00 0.13 0.29 0.03 0.00 0.29 0.00 0.01 0.00 0.10 0.22 0.17 0.12 0.08 0.01 0.00 0.08 - 12 [ 0.01 .. 0.29]
306-> PRO 105 HA - ALA 107 HN [ 0.00 4.11] 0.07 0.19 0.00 0.20 0.00 0.20 0.00 0.15 0.00 0.00 0.10 0.24 0.15 0.00 0.00 0.16 0.00 0.09 0.10 0.06 - 12 [ 0.06 .. 0.24]
308-> ASP 23 HA - TRP 25 HN [ 0.00 5.04] 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.32 .. 0.32]
310-> THR 24 HA - ALA 26 HN [ 0.00 4.66] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.26 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.02 - 4 [ 0.02 .. 0.41]
311-> THR 24 HB - ALA 26 HN [ 0.00 4.69] 0.08 0.04 0.60 1.32 0.86 0.35 0.22 0.21 0.82 0.67 0.11 0.52 0.23 0.12 0.60 0.23 0.62 0.67 0.00 0.00 - 18 [ 0.04 .. 1.32]
313-> VAL 29 HN - ARG 32 HB3 [ 0.00 5.04] 1.42 1.51 0.00 1.40 1.57 0.00 2.23 0.00 0.11 0.00 1.46 1.63 2.13 1.72 1.68 0.00 1.58 0.00 0.00 1.76 - 13 [ 0.11 .. 2.23]
315-> VAL 29 HA - ALA 33 HN [ 0.00 4.60] 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.15 .. 0.32]
319-> GLN 37 HA - HIS 40 HN [ 0.00 4.14] 0.00 0.00 0.00 0.00 0.00 0.38 0.16 0.00 0.00 0.38 0.40 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.16 .. 0.40]
321-> GLN 38 HA - HIS 40 HN [ 0.00 4.35] 0.10 0.00 0.00 0.00 0.00 0.05 0.02 0.09 0.00 0.39 0.26 0.04 0.07 0.00 0.35 0.00 0.00 0.27 0.00 0.00 - 10 [ 0.02 .. 0.39]
322-> HIS 40 HA - LEU 42 HN [ 0.00 4.01] 0.00 0.00 0.02 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 - 3 [ 0.02 .. 0.46]
324-> PRO 44 HA - PHE 48 HN [ 0.00 4.79] 0.00 0.00 0.57 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 - 3 [ 0.07 .. 0.57]
325-> ILE 45 HA - PHE 48 HN [ 0.00 5.50] 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 - 2 [ 0.01 .. 0.71]
326-> ILE 45 HB - PHE 48 HN [ 0.00 5.50] 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]
328-> PRO 44 HB3 - PHE 48 HN [ 0.00 4.35] 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.10 .. 0.10]
331-> ASP 52 HA - ARG 55 HN [ 0.00 4.04] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.00 0.00 0.00 - 1 [ 0.16 .. 0.16]
333-> ALA 54 HA - PHE 58 HN [ 0.00 5.04] 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 0.00 - 1 [ 0.24 .. 0.24]
335-> PHE 59 HA - GLY 62 HN [ 0.00 4.54] 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.61 .. 0.61]
336-> PHE 59 HA - LEU 63 HN [ 0.00 5.50] 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 0.00 0.00 0.00 0.00 - 1 [ 0.30 .. 0.30]
338-> GLN 65 HA - ALA 69 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 0.24 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.11 .. 0.24]
340-> ALA 69 HA - ILE 71 HN [ 0.00 4.42] 0.00 0.00 0.26 0.00 0.13 0.29 0.00 0.20 0.03 0.08 0.00 0.45 0.01 0.00 0.00 0.10 0.15 0.01 0.42 0.00 - 12 [ 0.01 .. 0.45]
341-> LEU 68 HA - ILE 71 HN [ 0.00 3.48] 0.00 0.00 0.41 0.00 0.00 0.45 0.00 0.56 0.00 0.11 0.00 0.46 0.87 0.00 0.00 0.00 0.00 0.00 0.69 0.00 - 7 [ 0.11 .. 0.87]
342-> ALA 69 HA - TRP 72 HN [ 0.00 3.73] 0.00 0.00 0.06 0.00 0.00 0.10 0.00 0.42 0.00 0.06 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 - 6 [ 0.06 .. 0.42]
343-> GLN 70 HA - ALA 73 HN [ 0.00 3.61] 0.00 0.00 0.02 0.00 0.00 0.04 0.00 0.34 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.12 0.24 0.00 - 7 [ 0.02 .. 0.34]
344-> ASN 56 HA - GLN 60 HN [ 0.00 4.17] 0.00 0.67 0.03 0.58 0.22 0.00 0.00 0.00 0.60 0.18 0.81 0.00 0.01 0.00 0.66 0.08 0.84 0.00 0.01 1.30 - 13 [ 0.01 .. 1.30]
349-> ALA 75 HA - MET 77 HN [ 0.00 4.79] 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.28 0.00 0.01 0.31 0.33 - 6 [ 0.01 .. 0.33]
355-> SER 106 HN - ALA 107 HA [ 0.00 5.04] 0.17 0.26 0.08 0.26 0.04 0.25 0.00 0.20 0.00 0.19 0.12 0.27 0.32 0.00 0.08 0.20 0.11 0.12 0.17 0.16 - 17 [ 0.04 .. 0.32]
363-> LEU 74 HN - SER 106 HA [ 0.00 5.50] 0.03 1.03 0.39 0.47 1.27 0.58 1.00 0.53 1.33 1.10 0.89 0.26 0.00 1.17 0.57 2.50 1.74 1.21 0.70 0.10 - 19 [ 0.03 .. 2.50]
379-> ILE 49 HN - ASP 84 HA [ 0.00 5.50] 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.28 .. 1.40]
384-> PRO 15 HG2 - THR 16 HN [ 0.00 5.50] 0.00 0.00 0.00 0.11 0.00 0.28 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.00 .. 0.28]
385-> PRO 15 HG3 - THR 16 HN [ 0.00 5.50] 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 0.22 0.08 0.00 0.00 0.11 0.00 - 4 [ 0.08 .. 0.25]
386-> PRO 17 HD2 - PHE 18 HN [ 0.00 5.50] 0.07 0.00 0.17 0.02 0.02 0.08 0.01 0.11 0.01 0.03 0.07 0.12 0.05 0.00 0.19 0.00 0.14 0.06 0.16 0.08 - 17 [ 0.01 .. 0.19]
387-> PRO 17 HD3 - PHE 18 HN [ 0.00 5.50] 0.24 0.04 0.08 0.25 0.12 0.16 0.22 0.15 0.18 0.00 0.04 0.12 0.01 0.00 0.01 0.00 0.15 0.15 0.09 0.22 - 17 [ 0.01 .. 0.25]
397-> LYS 34 HD2 - HIS 35 HN [ 0.00 5.50] 0.00 0.03 0.01 0.00 0.00 0.30 0.00 0.00 0.00 0.14 0.32 0.00 0.61 0.00 0.34 0.00 0.00 0.00 0.00 0.00 - 7 [ 0.01 .. 0.61]
398-> LYS 34 HD3 - HIS 35 HN [ 0.00 5.50] 0.37 0.37 0.00 0.52 0.32 0.74 0.18 0.47 0.55 0.55 0.00 0.28 0.00 0.22 0.00 0.21 0.25 0.23 0.37 0.27 - 16 [ 0.18 .. 0.74]
402-> HIS 40 HD2 - SER 41 HN [ 0.00 5.50] 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 0.50 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.03 .. 0.50]
403-> PRO 44 HG2 - ILE 45 HN [ 0.00 5.50] 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.03 0.01 0.00 0.00 - 4 [ 0.01 .. 0.14]
405-> ARG 55 HD2 - ASN 56 HN [ 0.00 5.50] 0.00 0.00 0.20 0.14 0.00 0.23 0.20 0.00 0.00 0.66 0.07 0.16 0.10 0.00 0.00 0.36 1.06 0.42 0.47 0.19 - 13 [ 0.07 .. 1.06]
406-> ARG 55 HD3 - ASN 56 HN [ 0.00 5.50] 0.32 0.44 0.00 0.90 0.00 0.98 0.81 0.09 0.41 1.06 0.99 1.03 1.05 0.13 0.42 1.01 0.00 0.14 1.06 1.05 - 17 [ 0.09 .. 1.06]
407-> PHE 57 HE* - PHE 58 HN [ 0.00 5.50] 0.07 0.14 0.37 0.00 0.09 0.00 0.01 0.26 0.00 0.35 0.00 0.00 0.13 0.00 0.28 0.12 0.17 0.00 0.12 0.37 - 13 [ 0.01 .. 0.37]
414-> LEU 68 HG - ALA 69 HN [ 0.00 4.79] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.31 0.00 0.20 0.23 0.00 0.00 0.00 0.00 0.00 0.15 0.00 - 5 [ 0.15 .. 0.31]
420-> MET 77 HG3 - ASN 78 HN [ 0.00 5.47] 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 0.16 0.00 0.00 0.00 0.00 0.13 0.00 - 3 [ 0.13 .. 0.24]
423-> MET 83 HG3 - ASP 84 HN [ 0.00 5.50] 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.45 .. 0.46]
432-> LYS 96 HD2 - LEU 97 HN [ 0.00 5.50] 0.20 0.18 0.14 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.08 0.00 0.14 0.19 0.00 0.00 0.00 0.23 0.20 0.00 - 9 [ 0.08 .. 0.23]
433-> LYS 96 HD3 - LEU 97 HN [ 0.00 5.50] 0.00 0.00 0.00 0.24 0.29 0.00 0.22 0.33 0.00 0.30 0.00 0.28 0.00 0.00 0.00 0.18 0.08 0.00 0.00 0.27 - 9 [ 0.08 .. 0.33]
443-> LYS 113 HD2 - GLN 114 HN [ 0.00 5.50] 0.00 0.16 0.56 0.00 0.00 0.08 0.00 0.04 0.75 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 6 [ 0.04 .. 0.75]
444-> LYS 113 HD3 - GLN 114 HN [ 0.00 5.50] 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.34 0.00 0.00 0.00 0.20 0.00 0.00 0.70 0.18 - 6 [ 0.08 .. 0.70]
445-> PRO 116 HG2 - VAL 117 HN [ 0.00 5.50] 0.00 0.06 0.00 0.00 0.14 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.16 0.19 0.09 0.07 0.11 0.12 0.00 0.00 - 9 [ 0.06 .. 0.19]
446-> PRO 116 HG3 - VAL 117 HN [ 0.00 5.50] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.32 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.23 .. 0.32]
449-> TRP 25 HN - TRP 25 HD1 [ 0.00 4.82] 0.00 0.00 0.11 0.18 0.00 0.00 0.00 0.36 0.00 0.29 0.14 0.00 0.00 0.00 0.00 0.22 0.26 0.09 0.16 0.12 - 10 [ 0.09 .. 0.36]
463-> ARG 55 HN - ARG 55 HD2 [ 0.00 5.50] 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 - 2 [ 0.47 .. 0.50]
464-> ARG 55 HN - ARG 55 HD3 [ 0.00 5.50] 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.47 .. 0.47]
469-> GLN 70 HN - GLN 70 HG2 [ 0.00 4.32] 0.47 0.00 0.45 0.00 0.35 0.00 0.34 0.00 0.34 0.00 0.33 0.00 0.48 0.00 0.00 0.00 0.45 0.00 0.44 0.00 - 9 [ 0.33 .. 0.48]
471-> LEU 74 HN - LEU 74 HG [ 0.00 3.76] 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.68 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.53 .. 0.68]
472-> MET 77 HN - MET 77 HG2 [ 0.00 3.98] 0.00 0.00 0.44 0.00 0.00 0.48 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 - 3 [ 0.44 .. 0.49]
473-> MET 77 HN - MET 77 HG3 [ 0.00 3.98] 0.00 0.00 0.51 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.44 .. 0.51]
484-> LEU 94 HN - LEU 94 HG [ 0.00 4.32] 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 0.00 0.00 - 1 [ 0.17 .. 0.17]
490-> LEU 108 HN - LEU 108 HG [ 0.00 4.26] 0.22 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.24 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.22 .. 0.24]
497-> GLN 85 HA - GLN 85 HE21 [ 0.00 5.50] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.52 .. 0.52]
499-> GLN 85 HA - GLN 85 HE22 [ 0.00 5.50] 0.58 0.50 0.49 0.49 0.57 0.55 0.51 0.59 0.59 1.18 0.52 0.51 0.48 0.49 0.55 0.66 0.55 0.54 0.55 0.58 - 20 [ 0.48 .. 1.18]
500-> TRP 72 HZ2 - GLY 81 HN [ 0.00 5.50] 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 6.97 0.00 0.00 - 3 [ 0.35 .. 6.97]
501-> THR 24 HB - TRP 25 HE1 [ 0.00 5.50] 0.00 0.36 0.21 1.49 0.00 0.00 0.18 1.26 0.00 0.53 0.40 2.76 0.00 0.00 0.75 0.55 1.83 1.26 0.72 0.20 - 14 [ 0.18 .. 2.76]
504-> LYS 34 HE2 - GLN 38 HE21 [ 0.00 5.50] 1.40 1.05 0.00 4.14 1.73 1.01 4.92 1.85 6.50 0.71 0.00 2.08 0.00 0.26 2.76 2.22 7.40 0.75 1.47 1.80 - 17 [ 0.26 .. 7.40]
505-> GLN 38 HB3 - GLN 38 HE22 [ 0.00 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 - 1 [ 0.35 .. 0.35]
511-> GLN 70 HE21 - LEU 74 HG [ 0.00 5.50] 0.00 1.77 0.00 1.63 0.00 2.35 0.00 1.83 0.00 1.66 0.64 2.41 0.08 5.49 1.55 3.36 0.00 2.46 0.00 1.87 - 13 [ 0.08 .. 5.49]
512-> GLN 70 HE22 - LEU 74 HG [ 0.00 5.50] 0.00 2.12 0.00 2.37 1.08 3.02 0.24 2.54 0.11 2.31 1.52 2.86 0.57 5.12 2.10 3.72 0.00 3.08 0.00 2.35 - 16 [ 0.11 .. 5.12]
513-> TRP 72 HE1 - GLY 81 HA2 [ 0.00 5.50] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.86 0.00 0.00 - 2 [ 0.14 .. 3.86]
514-> TRP 72 HE1 - GLY 81 HA3 [ 0.00 5.50] 0.00 0.47 0.92 0.00 0.00 0.00 0.20 1.20 0.33 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 5.22 0.00 0.24 - 8 [ 0.20 .. 5.22]
516-> VAL 111 HN - LYS 113 HG2 [ 0.00 5.50] 0.00 1.85 1.62 0.00 0.00 2.05 1.76 1.94 1.52 0.00 1.58 1.68 1.77 0.00 1.55 1.77 1.99 1.93 1.78 2.81 - 15 [ 1.52 .. 2.81]
517-> TRP 72 HZ2 - ARG 82 HN [ 0.00 5.50] 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 0.00 0.00 6.67 0.00 0.00 - 2 [ 0.90 .. 6.67]
518-> LYS 34 HE3 - GLN 38 HE21 [ 0.00 5.50] 2.42 2.31 0.00 4.80 2.63 2.34 5.72 2.97 7.30 1.98 0.34 3.15 0.00 1.58 2.00 3.16 8.32 2.00 2.43 2.83 - 18 [ 0.34 .. 8.32]
520-> VAL 111 HN - LYS 113 HG3 [ 0.00 5.50] 0.45 0.29 2.17 0.14 0.29 2.55 2.41 2.30 0.00 0.25 0.00 0.09 2.23 0.59 0.00 0.18 2.56 2.33 0.25 2.27 - 17 [ 0.09 .. 2.56]
521-> ILE 49 HG12 - GLN 85 HE22 [ 0.00 7.26] 1.16 2.33 0.00 3.40 0.00 1.56 0.87 3.54 2.49 3.81 3.70 3.58 1.58 3.35 1.22 3.12 1.20 3.66 3.51 5.34 - 18 [ 0.87 .. 5.34]
522-> ILE 49 HG12 - GLN 85 HE21 [ 0.00 7.26] 0.00 0.77 0.00 2.37 0.00 0.00 0.15 2.66 1.62 3.22 2.07 2.49 0.00 1.70 0.00 2.07 0.00 2.81 2.66 4.47 - 13 [ 0.15 .. 4.47]
523-> LEU 94 HG - LEU 97 HN [ 0.00 5.50] 0.70 0.39 0.17 0.31 0.55 1.04 0.48 0.40 0.46 0.00 0.41 0.39 0.38 0.54 0.95 0.40 0.52 0.44 0.38 0.06 - 19 [ 0.06 .. 1.04]
524-> MET 83 HB3 - PHE 88 HN [ 0.00 5.50] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.16 0.03 0.00 0.06 0.00 0.00 - 4 [ 0.03 .. 0.16]
559-> TRP 25 HN - VAL 111 HG2* [ 0.00 6.21] 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 - 2 [ 0.39 .. 0.95]
560-> THR 24 HG2* - TRP 25 HE1 [ 0.00 6.49] 0.00 0.00 0.04 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.76 0.17 0.00 0.00 - 5 [ 0.04 .. 0.76]
562-> ALA 26 HN - VAL 111 HG2* [ 0.00 5.71] 0.00 0.00 0.00 0.00 0.28 0.00 0.62 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 - 4 [ 0.05 .. 0.63]
568-> LEU 42 HD1* - THR 50 HN [ 0.00 6.52] 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.82 .. 0.82]
572-> LEU 42 HD1* - ALA 54 HN [ 0.00 5.62] 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.32 .. 0.32]
573-> PHE 59 HN - LEU 68 HD2* [ 0.00 6.52] 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.44 .. 0.44]
576-> GLY 62 HN - LEU 68 HD2* [ 0.00 6.52] 0.00 0.00 2.65 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 1.60 .. 2.65]
579-> GLN 70 HN - LEU 74 HD1* [ 0.00 6.52] 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 1.29 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.29 .. 1.29]
582-> GLN 70 HE21 - LEU 74 HD1* [ 0.00 6.52] 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.34 0.00 1.98 0.00 1.26 0.00 0.00 0.00 0.00 - 4 [ 0.09 .. 1.98]
583-> GLN 70 HE22 - LEU 74 HD1* [ 0.00 6.52] 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.29 0.00 1.42 0.00 1.19 0.00 0.10 0.00 0.00 - 5 [ 0.10 .. 1.42]
585-> TRP 72 HE1 - MET 83 HE* [ 0.00 6.52] 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 0.62 0.03 0.00 0.00 0.00 0.00 - 2 [ 0.03 .. 0.62]
589-> ALA 75 HN - MET 83 HE* [ 0.00 6.43] 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 0.12 0.23 0.00 0.30 0.00 0.00 - 3 [ 0.12 .. 0.30]
590-> ASP 76 HN - ILE 90 HG2* [ 0.00 6.52] 0.00 1.04 1.32 0.00 0.98 0.81 0.00 0.00 1.09 0.00 0.00 1.22 0.00 0.84 0.00 1.07 1.09 1.16 0.00 1.17 - 11 [ 0.81 .. 1.32]
591-> ASP 76 HN - MET 83 HE* [ 0.00 5.28] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.48 0.02 0.00 0.00 0.00 0.37 0.31 0.00 0.51 0.00 0.00 - 6 [ 0.02 .. 0.51]
597-> LEU 74 HD2* - ALA 107 HN [ 0.00 5.68] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.58 .. 0.58]
598-> LEU 74 HD2* - LEU 108 HN [ 0.00 5.34] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.06 .. 1.06]
605-> PHE 59 HN - ILE 95 HG2* [ 0.00 6.52] 0.00 0.00 0.05 0.35 0.16 1.70 0.20 0.96 0.08 0.00 0.20 0.33 0.33 0.29 0.00 0.00 0.00 1.22 1.00 0.07 - 15 [ 0.00 .. 1.70]
607-> GLN 60 HN - ILE 95 HG2* [ 0.00 6.52] 0.00 0.00 0.00 0.00 0.17 1.65 0.00 1.06 0.00 0.05 0.00 0.50 0.65 0.00 0.00 0.00 0.00 0.96 1.17 0.00 - 8 [ 0.05 .. 1.65]
609-> GLU 87 HN - ILE 90 HG2* [ 0.00 6.52] 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.01 .. 0.21]
610-> MET 77 HN - ILE 90 HG2* [ 0.00 6.52] 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.05 0.02 0.00 0.00 0.11 - 5 [ 0.02 .. 0.74]
611-> ASP 23 HN - ASP 23 HB3 [ 0.00 3.70] 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.26 0.26 0.00 0.22 0.25 0.00 0.24 - 7 [ 0.22 .. 0.28]
615-> GLN 37 HN - GLN 37 HB3 [ 0.00 3.61] 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 0.07 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.07 .. 0.11]
618-> PHE 59 HN - PHE 59 HB3 [ 0.00 3.30] 0.34 0.00 0.34 0.28 0.00 0.31 0.32 0.00 0.30 0.00 0.30 0.00 0.00 0.31 0.00 0.00 0.32 0.00 0.00 0.00 - 9 [ 0.28 .. 0.34]
629-> VAL 29 HB - GLU 30 HN [ 0.00 3.86] 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.19 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.10 .. 0.26]
659-> GLU 31 HB2 - LYS 34 HN [ 0.00 5.50] 0.00 0.06 0.18 0.00 0.00 0.18 0.00 0.02 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.04 0.06 0.03 0.00 0.04 - 11 [ 0.00 .. 0.18]
662-> PRO 44 HA - ILE 49 HA [ 0.00 4.48] 0.00 0.00 0.19 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 - 3 [ 0.10 .. 0.27]
675-> ILE 27 HN - MET 112 HA [ 0.00 5.00] 0.00 1.40 2.53 0.00 1.24 2.36 0.00 0.00 0.33 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 - 7 [ 0.33 .. 4.05]
677-> VAL 29 HA - ARG 32 HB3 [ 0.00 4.60] 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.02 .. 0.10]
678-> ALA 33 HA - ASP 36 HB2 [ 0.00 4.32] 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.40 0.39 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.39 .. 0.70]
679-> ALA 33 HA - ASP 36 HB3 [ 0.00 4.32] 0.69 0.82 0.02 0.42 0.29 2.32 0.39 0.10 0.24 1.73 1.68 0.45 0.00 1.20 1.75 0.00 0.20 0.23 0.72 0.26 - 18 [ 0.02 .. 2.32]
680-> GLN 37 HA - HIS 40 HB2 [ 0.00 4.01] 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.07 .. 0.50]
682-> PRO 44 HB2 - GLY 47 HA3 [ 0.00 5.50] 0.00 0.25 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 - 4 [ 0.07 .. 0.41]
684-> ASN 56 HA - PHE 59 HB3 [ 0.00 3.83] 0.71 0.00 0.76 0.00 0.00 0.00 0.69 0.00 1.20 0.00 0.37 0.00 0.00 0.78 0.00 0.00 0.81 0.00 0.00 0.00 - 7 [ 0.37 .. 1.20]
688-> LEU 68 HA - ILE 71 HB [ 0.00 3.36] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.05 0.74 0.00 0.00 0.00 0.00 0.00 0.46 0.00 - 4 [ 0.05 .. 0.74]
690-> ALA 69 HA - TRP 72 HB2 [ 0.00 4.48] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.31 .. 0.31]
691-> ALA 69 HA - TRP 72 HB3 [ 0.00 4.11] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 - 1 [ 0.37 .. 0.37]
697-> GLU 87 HA - ILE 90 HB [ 0.00 4.51] 0.00 0.51 0.26 0.00 0.46 1.00 0.00 0.00 0.50 0.00 0.00 0.36 0.24 0.38 0.00 1.34 0.44 0.61 0.00 0.88 - 12 [ 0.24 .. 1.34]
698-> LYS 96 HA - LEU 99 HB2 [ 0.00 3.92] 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.38 .. 0.38]
705-> GLN 37 HA - HIS 40 HB3 [ 0.00 4.01] 1.30 0.90 0.00 1.14 0.00 1.89 1.44 1.10 1.22 0.94 2.21 1.19 0.09 0.00 1.16 0.72 0.48 0.98 0.60 0.17 - 17 [ 0.09 .. 2.21]
706-> VAL 67 HA - GLN 70 HB3 [ 0.00 4.38] 0.00 0.24 0.00 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.79 0.00 0.48 0.00 0.00 - 5 [ 0.16 .. 0.79]
708-> GLU 30 HA - ALA 33 HA [ 0.00 5.50] 0.00 0.35 0.49 0.00 0.00 0.00 0.00 0.12 0.01 0.00 0.28 0.14 0.09 0.00 0.00 0.02 0.27 0.01 0.34 0.00 - 11 [ 0.01 .. 0.49]
711-> GLN 85 HA - SER 89 HA [ 0.00 5.50] 0.31 0.34 0.72 0.91 0.61 0.54 0.63 0.99 0.72 0.61 1.09 0.83 0.52 0.06 1.14 0.69 0.97 0.43 0.70 0.35 - 20 [ 0.06 .. 1.14]
712-> VAL 86 HA - SER 89 HA [ 0.00 5.50] 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.19 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.08 .. 0.45]
714-> ASP 76 HN - ASN 79 HA [ 0.00 5.50] 0.30 0.42 0.18 0.33 0.00 0.00 0.57 0.29 0.21 0.00 0.00 0.56 0.45 0.27 0.05 0.00 0.07 0.00 0.86 0.91 - 14 [ 0.05 .. 0.91]
717-> PHE 48 HA - ASP 84 HA [ 0.00 5.50] 0.00 0.00 1.67 0.00 0.88 0.00 0.00 0.00 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 [ 0.88 .. 1.67]
764-> GLN 60 HN - GLN 60 HG2 [ 0.00 4.45] 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.35 .. 0.36]
784-> LYS 98 HA - LYS 98 HE2 [ 0.00 5.50] 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.68 .. 0.68]
787-> LYS 98 HA - LYS 98 HE3 [ 0.00 5.50] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 - 1 [ 0.29 .. 0.29]
813-> TRP 72 HD1 - ALA 73 HN [ 0.00 5.50] 0.19 0.18 0.19 0.00 0.00 0.00 0.21 0.09 0.15 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.10 - 9 [ 0.01 .. 0.21]
822-> THR 24 HB - TRP 25 HD1 [ 0.00 4.91] 0.00 0.84 1.00 1.97 0.89 0.21 0.00 1.62 0.00 1.18 1.05 1.35 0.00 0.00 0.36 1.07 2.19 1.62 1.18 0.87 - 15 [ 0.21 .. 2.19]
823-> THR 24 HN - TRP 25 HD1 [ 0.00 5.50] 0.00 0.02 1.02 1.13 0.00 0.00 0.45 2.19 0.00 1.66 1.83 0.00 0.00 0.00 0.00 2.07 0.80 0.40 1.70 1.68 - 12 [ 0.02 .. 2.19]
824-> LYS 34 HE2 - GLN 38 HE22 [ 0.00 5.50] 2.63 2.15 0.00 5.66 2.74 2.33 6.52 3.14 6.55 1.88 1.30 3.46 0.99 1.37 4.24 3.55 6.85 1.96 2.68 3.08 - 19 [ 0.99 .. 6.85]
825-> PHE 39 HZ - ILE 49 HN [ 0.00 5.50] 0.00 0.00 0.79 0.00 1.74 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 1.74 - 3 [ 0.79 .. 1.74]
826-> PHE 39 HE* - ILE 49 HN [ 0.00 5.50] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 - 1 [ 0.61 .. 0.61]
827-> PHE 39 HE* - PRO 44 HB2 [ 0.00 5.50] 0.00 0.00 2.34 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.38 .. 2.34]
829-> PHE 39 HZ - PHE 48 HA [ 0.00 5.50] 0.00 0.00 1.56 0.00 2.59 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 0.14 - 3 [ 0.14 .. 2.59]
830-> GLY 51 HA2 - TRP 72 HH2 [ 0.00 5.50] 4.51 1.21 2.20 1.94 0.00 0.00 5.54 0.03 1.58 0.00 0.00 1.05 0.00 3.40 0.00 0.00 0.00 5.01 1.17 0.00 - 11 [ 0.03 .. 5.54]
831-> GLY 51 HA3 - TRP 72 HH2 [ 0.00 5.50] 4.50 0.55 1.55 1.32 0.00 0.00 6.12 0.00 0.82 0.00 0.00 0.32 0.00 3.91 0.00 0.00 0.00 5.29 0.14 0.00 - 10 [ 0.14 .. 6.12]
832-> TRP 72 HE3 - ALA 73 HA [ 0.00 5.19] 0.00 0.00 0.00 0.54 1.66 1.22 0.00 0.00 0.00 0.41 1.79 0.00 1.88 0.00 1.17 1.86 0.99 1.24 0.00 0.00 - 10 [ 0.41 .. 1.88]
833-> TRP 72 HE1 - ASN 79 HA [ 0.00 5.50] 0.20 2.64 2.89 1.06 0.13 0.46 0.33 3.09 2.21 1.13 0.53 2.45 1.79 0.00 0.67 0.00 0.11 6.55 2.94 2.72 - 18 [ 0.11 .. 6.55]
834-> MET 83 HB2 - PHE 88 HN [ 0.00 5.50] 0.48 0.13 0.46 0.28 0.00 0.00 0.00 0.44 0.59 0.61 0.00 0.45 0.00 0.44 0.56 0.72 0.22 0.44 0.03 0.00 - 14 [ 0.03 .. 0.72]
836-> TRP 25 HH2 - LEU 94 HG [ 0.00 5.04] 0.99 7.45 4.57 7.36 1.74 1.21 6.75 6.50 5.84 7.12 8.39 12.29 5.47 3.61 0.01 7.24 4.43 6.91 8.65 6.86 - 20 [ 0.01 .. 12.29]
837-> TRP 25 HE1 - TYR 102 HD* [ 0.00 7.63] 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.13 .. 12.18]
840-> LYS 113 HN - GLN 114 HG2 [ 0.00 5.50] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.20 0.00 1.88 0.00 0.00 0.00 1.61 - 4 [ 0.20 .. 1.88]
841-> THR 16 HB - PRO 17 HD3 [ 0.00 4.69] 0.00 0.13 0.41 0.00 0.14 0.00 0.03 0.33 0.24 0.17 0.00 0.46 0.36 0.38 0.39 0.26 0.00 0.32 0.00 0.25 - 14 [ 0.03 .. 0.46]
842-> THR 16 HB - PRO 17 HD2 [ 0.00 4.69] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.00 - 2 [ 0.08 .. 0.14]
843-> PRO 17 HB2 - PHE 18 HD* [ 0.00 5.50] 0.41 0.00 0.00 0.35 0.32 0.00 0.29 0.09 0.00 0.50 0.00 0.08 0.27 1.42 0.00 0.00 0.00 0.03 0.35 0.05 - 12 [ 0.03 .. 1.42]
844-> PRO 17 HB3 - PHE 18 HD* [ 0.00 5.50] 0.08 0.40 0.00 0.00 0.00 0.07 0.18 0.41 0.00 1.21 0.00 0.42 0.66 2.23 0.00 0.23 0.20 0.37 1.58 0.39 - 14 [ 0.07 .. 2.23]
845-> ILE 27 HG12 - GLU 31 HB2 [ 0.00 5.50] 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 0.27 0.76 0.25 0.00 0.00 0.00 0.00 - 4 [ 0.25 .. 0.76]
846-> ILE 27 HG13 - GLU 31 HB2 [ 0.00 5.50] 0.00 0.53 0.02 0.63 0.49 0.45 0.15 0.41 0.00 0.00 0.44 0.40 0.00 0.00 0.56 0.26 0.36 0.08 0.52 0.28 - 15 [ 0.02 .. 0.63]
847-> PHE 39 HE* - PRO 44 HG2 [ 0.00 5.50] 0.00 0.00 1.93 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.07 .. 1.93]
849-> PHE 39 HE* - PRO 44 HB3 [ 0.00 5.00] 0.00 0.00 2.05 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.16 .. 2.05]
850-> PHE 39 HZ - PRO 44 HB2 [ 0.00 5.50] 0.00 0.00 4.62 0.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 - 3 [ 0.56 .. 4.62]
851-> PHE 39 HZ - PRO 44 HB3 [ 0.00 5.50] 0.00 0.00 3.94 0.00 2.15 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 - 2 [ 2.15 .. 3.94]
852-> HIS 40 HA - PRO 44 HG2 [ 0.00 5.50] 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 - 2 [ 0.48 .. 0.78]
853-> HIS 40 HA - PRO 44 HG3 [ 0.00 5.50] 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 0.00 0.00 0.63 - 2 [ 0.63 .. 0.70]
868-> VAL 67 HA - GLN 70 HG3 [ 0.00 5.50] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.54 .. 0.54]
869-> LEU 68 HB3 - ILE 71 HB [ 0.00 5.50] 0.00 0.00 0.55 0.00 0.00 0.61 0.00 0.30 0.00 0.00 0.00 0.38 0.80 0.00 0.00 0.00 0.00 0.00 0.77 0.00 - 6 [ 0.30 .. 0.80]
870-> TRP 72 HZ2 - GLY 81 HA3 [ 0.00 4.11] 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.19 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 7.37 0.00 0.00 - 4 [ 0.19 .. 7.37]
871-> TRP 72 HZ2 - GLY 81 HA2 [ 0.00 4.88] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.00 5.54 0.00 0.00 - 2 [ 0.29 .. 5.54]
873-> ILE 71 HG12 - LEU 94 HB2 [ 0.00 5.50] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.51 .. 0.51]
875-> LEU 94 HG - ILE 95 HA [ 0.00 5.50] 1.02 1.11 0.61 1.09 0.94 1.09 1.02 1.07 1.05 0.00 1.07 1.07 1.12 1.11 1.09 1.06 1.07 1.07 1.09 1.15 - 19 [ 0.61 .. 1.15]
876-> ILE 95 HA - LEU 99 HG [ 0.00 4.69] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.99 0.00 0.00 2.76 0.00 0.00 0.00 0.00 2.63 0.00 0.00 - 3 [ 2.63 .. 2.99]
885-> PRO 110 HA - LYS 113 HE2 [ 0.00 5.50] 0.00 0.78 0.10 0.00 0.00 0.94 0.42 0.27 0.00 0.00 0.50 0.45 0.00 0.00 0.27 0.62 0.38 0.23 0.00 2.39 - 12 [ 0.10 .. 2.39]
886-> VAL 111 HA - GLN 114 HG3 [ 0.00 5.47] 0.41 1.54 0.16 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.56 1.97 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 - 7 [ 0.09 .. 1.97]
887-> PRO 110 HA - LYS 113 HG2 [ 0.00 5.50] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.21 - 2 [ 0.21 .. 0.24]
888-> PRO 110 HA - LYS 113 HD2 [ 0.00 5.50] 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 - 2 [ 0.02 .. 1.22]
889-> VAL 111 HA - GLN 114 HG2 [ 0.00 5.47] 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 1.14 0.00 0.00 0.00 1.10 0.00 0.00 0.00 1.33 - 5 [ 0.11 .. 1.33]
891-> GLN 115 HA - PRO 116 HD3 [ 0.00 3.98] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.24 .. 0.24]
894-> LYS 34 HE3 - GLN 38 HE22 [ 0.00 5.50] 3.84 3.59 0.00 6.42 3.86 3.76 7.39 4.42 7.49 3.27 1.80 4.66 0.77 2.87 3.31 4.65 7.95 3.38 3.84 4.27 - 19 [ 0.77 .. 7.95]
896-> LYS 113 HN - GLN 114 HG3 [ 0.00 5.50] 0.82 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 1.23 0.94 0.00 0.00 0.00 1.11 0.00 0.39 0.00 0.77 - 8 [ 0.38 .. 1.23]
897-> ILE 27 HG13 - GLU 31 HB3 [ 0.00 5.50] 0.00 0.81 0.00 0.89 0.55 0.56 0.25 0.44 0.00 0.00 0.62 0.47 0.00 0.00 0.70 0.41 0.51 0.00 0.75 0.21 - 13 [ 0.21 .. 0.89]
898-> PHE 39 HE* - PRO 44 HG3 [ 0.00 5.50] 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.47 .. 0.47]
899-> PHE 39 HE* - ILE 49 HG13 [ 0.00 5.50] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 - 1 [ 1.25 .. 1.25]
903-> VAL 67 HA - LYS 98 HD2 [ 0.00 5.50] 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.50 0.00 2.37 1.94 1.39 1.64 0.00 0.80 0.00 - 8 [ 0.80 .. 2.37]
904-> VAL 67 HA - LYS 98 HD3 [ 0.00 5.50] 1.24 0.29 0.00 0.27 0.27 0.00 0.33 0.18 0.88 0.31 0.00 0.30 0.00 1.31 0.70 3.01 0.40 0.00 0.00 0.23 - 14 [ 0.18 .. 3.01]
905-> VAL 67 HA - GLN 70 HG2 [ 0.00 5.50] 0.00 0.00 0.00 0.00 0.02 0.00 0.17 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.02 .. 0.66]
909-> ILE 71 HG13 - LEU 94 HB2 [ 0.00 5.50] 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.04 0.00 0.37 0.21 0.00 0.00 0.18 - 6 [ 0.04 .. 1.05]
911-> ILE 71 HG13 - ILE 95 HA [ 0.00 5.50] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.00 - 1 [ 0.31 .. 0.31]
913-> GLN 100 HB3 - TYR 102 HE* [ 0.00 7.63] 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.28 .. 0.86]
914-> PRO 110 HA - LYS 113 HE3 [ 0.00 5.50] 0.00 0.05 0.71 0.00 0.00 1.74 1.31 0.64 0.14 0.00 0.00 0.00 0.51 0.00 0.00 0.00 1.06 0.66 0.00 2.00 - 10 [ 0.05 .. 2.00]
915-> PRO 110 HA - LYS 113 HG3 [ 0.00 5.50] 0.00 0.00 0.00 0.00 0.00 0.47 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 - 2 [ 0.13 .. 0.47]
916-> PRO 110 HA - LYS 113 HD3 [ 0.00 5.50] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 1.75 - 2 [ 0.27 .. 1.75]
917-> GLN 115 HG3 - PRO 116 HD3 [ 0.00 5.50] 0.65 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.45 .. 0.74]
918-> GLN 115 HG3 - PRO 116 HD2 [ 0.00 5.50] 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.22 .. 0.59]
919-> GLN 115 HG2 - PRO 116 HD3 [ 0.00 5.50] 0.09 0.00 0.00 0.00 0.00 0.22 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 - 3 [ 0.09 .. 0.29]
921-> ILE 27 HG12 - GLU 31 HB3 [ 0.00 5.50] 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 1.06 0.52 0.00 0.00 0.00 0.00 - 4 [ 0.28 .. 1.06]
922-> ILE 27 HG12 - GLU 31 HG3 [ 0.00 7.26] 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.62 .. 0.88]
923-> THR 28 HB - GLU 31 HB3 [ 0.00 5.50] 1.10 0.90 0.68 0.86 0.70 0.70 1.07 0.70 0.84 1.14 0.66 0.66 0.81 1.08 0.73 1.04 0.95 0.69 0.77 0.81 - 20 [ 0.66 .. 1.14]
925-> THR 28 HB - GLU 31 HG2 [ 0.00 5.50] 0.00 0.63 0.71 0.00 0.65 0.65 0.00 0.84 0.00 0.00 0.60 0.63 0.00 0.00 0.60 0.00 0.78 0.76 0.00 0.00 - 10 [ 0.60 .. 0.84]
926-> THR 28 HB - GLU 31 HG3 [ 0.00 5.50] 0.12 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.23 0.00 0.15 0.00 0.00 0.00 0.00 - 5 [ 0.03 .. 0.40]
927-> ILE 27 HG13 - GLU 31 HG2 [ 0.00 7.26] 0.00 0.61 0.11 0.15 0.38 0.42 0.00 0.11 0.00 0.00 0.54 0.47 0.00 0.00 0.84 0.55 0.42 0.00 0.81 0.00 - 12 [ 0.11 .. 0.84]
928-> SER 41 HA - PRO 44 HD2 [ 0.00 5.50] 0.39 0.26 0.88 0.00 1.51 0.43 0.00 0.50 0.41 0.00 0.45 0.00 0.00 0.68 0.00 0.17 0.19 0.37 0.00 1.41 - 13 [ 0.17 .. 1.51]
929-> SER 41 HA - PRO 44 HD3 [ 0.00 5.50] 0.00 0.00 0.99 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 - 3 [ 0.99 .. 1.32]
930-> LEU 74 HG - PRO 105 HA [ 0.00 5.50] 1.20 1.52 1.07 0.79 0.87 1.01 1.24 0.73 1.75 2.36 1.93 0.52 0.00 2.02 1.90 3.86 2.30 2.14 1.73 0.37 - 19 [ 0.37 .. 3.86]
931-> ALA 75 HA - LEU 108 HG [ 0.00 5.50] 0.11 0.17 1.47 0.22 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.17 0.00 0.99 0.00 0.00 - 8 [ 0.11 .. 1.55]
932-> LEU 63 HG - LEU 99 HB2 [ 0.00 5.50] 0.06 0.15 0.52 0.74 0.19 2.75 0.34 2.22 0.00 0.00 0.51 1.24 0.00 0.12 0.34 0.00 0.10 0.00 2.65 0.22 - 15 [ 0.06 .. 2.75]
933-> LEU 63 HG - LEU 99 HA [ 0.00 5.50] 0.00 0.00 0.00 0.00 0.00 3.35 0.00 1.79 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 2.44 0.00 - 4 [ 0.85 .. 3.35]
935-> MET 77 HN - GLU 87 HG3 [ 0.00 5.50] 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.27 .. 0.27]
936-> PHE 39 HZ - GLN 85 HN [ 0.00 5.50] 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.34 .. 0.54]
999-> LEU 63 HD2* - LYS 98 HN [ 0.00 6.52] 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.48 .. 0.48]
1000-> PHE 59 HD* - LEU 68 HD2* [ 0.00 6.52] 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 0.31 0.00 0.00 - 1 [ 0.31 .. 0.31]
1008-> MET 77 HE* - GLU 87 HN [ 0.00 6.52] 4.11 2.02 0.00 1.51 1.78 0.26 4.27 1.92 0.00 2.76 0.00 1.96 1.74 3.35 0.65 0.00 1.76 0.00 3.48 2.23 - 15 [ 0.26 .. 4.27]
1009-> TRP 72 HZ2 - MET 83 HE* [ 0.00 6.52] 0.12 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.00 1.17 0.00 0.00 - 4 [ 0.06 .. 1.17]
1010-> TRP 72 HD1 - MET 83 HE* [ 0.00 5.77] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 1.71 1.63 0.00 0.00 0.00 0.00 - 3 [ 0.03 .. 1.71]
1011-> ALA 73 HN - MET 83 HE* [ 0.00 6.52] 0.36 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.10 1.27 1.84 0.00 1.92 0.00 0.43 - 8 [ 0.10 .. 1.92]
1013-> TRP 72 HN - MET 83 HE* [ 0.00 6.52] 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 0.30 0.96 0.00 0.91 0.00 0.00 - 3 [ 0.30 .. 0.96]
1018-> LEU 63 HN - LEU 99 HD1* [ 0.00 6.52] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 - 2 [ 0.05 .. 0.31]
1021-> ILE 27 HN - VAL 111 HG1* [ 0.00 6.52] 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]
1023-> ILE 27 HN - VAL 111 HG2* [ 0.00 6.52] 0.00 0.00 0.10 0.00 0.47 0.00 0.00 0.00 0.65 0.68 0.00 2.04 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 6 [ 0.10 .. 2.04]
1027-> THR 24 HG2* - LEU 97 HD1* [ 0.00 6.70] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.25 .. 2.37]
1029-> TRP 25 HD1 - VAL 111 HG2* [ 0.00 6.52] 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.57 0.00 0.00 0.00 0.33 0.00 0.00 2.29 0.00 0.00 0.00 0.00 - 4 [ 0.33 .. 2.29]
1030-> THR 24 HG2* - TRP 25 HD1 [ 0.00 6.52] 0.00 0.00 0.21 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.35 0.00 0.00 - 4 [ 0.21 .. 0.81]
1031-> TRP 25 HZ3 - LEU 97 HD2* [ 0.00 6.52] 0.00 0.00 1.93 0.00 0.00 0.00 2.76 0.00 0.00 0.00 0.03 8.36 0.00 0.00 0.00 0.00 0.00 0.07 0.20 0.46 - 7 [ 0.03 .. 8.36]
1032-> TRP 25 HZ2 - LEU 97 HD1* [ 0.00 6.52] 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.77 .. 10.43]
1033-> TRP 25 HH2 - LEU 94 HD1* [ 0.00 6.52] 0.00 5.00 0.93 5.34 0.00 0.00 3.10 4.54 3.50 2.02 5.86 8.86 2.76 1.35 0.00 4.93 2.19 4.88 6.18 4.76 - 16 [ 0.93 .. 8.86]
1034-> TRP 25 HH2 - LEU 97 HD1* [ 0.00 6.52] 0.00 0.58 0.20 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.83 10.73 0.00 0.00 0.00 0.07 0.00 0.00 1.14 0.00 - 7 [ 0.07 .. 10.73]
1036-> ALA 26 HA - VAL 111 HG2* [ 0.00 6.33] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.90 .. 0.90]
1039-> ALA 26 HB* - VAL 111 HB [ 0.00 6.52] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 2.17 .. 2.17]
1067-> LEU 42 HD1* - ILE 49 HG12 [ 0.00 5.65] 0.88 0.00 0.00 0.00 1.17 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 - 2 [ 0.88 .. 1.17]
1068-> LEU 42 HD1* - ILE 49 HG13 [ 0.00 5.65] 1.15 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 0.00 0.00 0.00 0.00 - 2 [ 0.96 .. 1.15]
1071-> LEU 42 HD1* - GLN 53 HB2 [ 0.00 6.52] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.29 .. 0.29]
1080-> PHE 59 HA - LEU 68 HD1* [ 0.00 4.69] 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 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.70 .. 0.70]
1087-> GLN 70 HG2 - LEU 74 HD1* [ 0.00 6.33] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.04 0.00 0.00 0.00 0.00 - 2 [ 0.04 .. 1.61]
1092-> LEU 63 HD2* - LYS 98 HB2 [ 0.00 6.05] 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 0.00 0.00 - 1 [ 0.70 .. 0.70]
1096-> GLN 70 HG3 - LEU 74 HD1* [ 0.00 6.33] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.29 0.00 0.00 0.00 0.00 - 2 [ 0.29 .. 0.64]
1102-> LEU 68 HA - ILE 71 HD1* [ 0.00 5.13] 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 0.00 - 1 [ 0.51 .. 0.51]
1103-> PHE 59 HA - LEU 68 HD2* [ 0.00 6.52] 0.00 0.00 1.42 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.25 .. 1.42]
1107-> LEU 68 HD2* - ILE 71 HB [ 0.00 6.24] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.24 0.85 0.00 0.00 0.00 0.00 0.00 0.64 0.00 - 4 [ 0.24 .. 0.85]
1108-> LEU 68 HD2* - ILE 71 HD1* [ 0.00 7.54] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.14 .. 0.14]
1110-> GLN 65 HG2 - ALA 69 HB* [ 0.00 6.52] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.35 .. 0.35]
1111-> GLN 65 HG3 - ALA 69 HB* [ 0.00 6.52] 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.97 0.00 0.00 0.00 0.21 0.00 0.00 0.00 0.02 - 5 [ 0.02 .. 0.97]
1113-> GLN 70 HB2 - LEU 74 HD1* [ 0.00 6.05] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.55 .. 0.55]
1125-> ALA 54 HB* - TRP 72 HZ3 [ 0.00 6.43] 3.20 1.40 2.39 1.63 0.00 0.00 3.27 0.44 1.81 0.00 0.00 1.27 0.00 1.81 0.00 0.00 0.60 2.24 1.31 0.30 - 13 [ 0.30 .. 3.27]
1126-> TRP 72 HZ3 - ALA 73 HB* [ 0.00 6.52] 0.00 0.00 0.00 0.00 2.10 0.76 0.00 0.00 0.00 0.00 1.47 0.00 2.25 0.00 1.72 2.26 0.33 0.90 0.00 0.00 - 8 [ 0.33 .. 2.26]
1133-> LEU 74 HD2* - ALA 107 HA [ 0.00 4.72] 0.00 0.00 0.00 0.23 0.00 0.30 0.00 0.98 0.00 0.00 0.00 0.58 1.72 0.69 0.00 0.00 0.00 0.00 0.00 0.79 - 7 [ 0.23 .. 1.72]
1143-> MET 77 HG3 - ILE 90 HD1* [ 0.00 6.52] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.30 .. 0.30]
1144-> MET 77 HE* - GLU 87 HG2 [ 0.00 5.40] 2.52 0.39 0.00 0.13 0.16 0.00 2.65 0.11 0.00 1.17 0.00 0.24 0.09 2.11 0.00 0.00 0.19 0.00 2.25 2.02 - 13 [ 0.09 .. 2.65]
1145-> MET 77 HE* - GLU 87 HA [ 0.00 5.34] 3.41 1.54 0.19 1.12 1.37 0.82 3.55 1.35 0.00 2.40 0.05 1.43 1.23 3.07 0.81 0.00 1.41 0.00 2.77 1.58 - 17 [ 0.05 .. 3.55]
1146-> ALA 75 HA - MET 77 HE* [ 0.00 6.52] 0.00 0.00 0.23 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.23 .. 1.38]
1148-> MET 77 HE* - ILE 90 HG2* [ 0.00 6.58] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.34 .. 1.34]
1151-> ALA 75 HB* - MET 83 HB2 [ 0.00 6.52] 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 0.44 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.24 .. 0.44]
1154-> TRP 72 HB3 - MET 83 HE* [ 0.00 6.52] 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 0.36 0.78 0.00 0.20 0.00 0.00 - 3 [ 0.20 .. 0.78]
1155-> ASP 76 HA - MET 83 HE* [ 0.00 6.33] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.18 .. 0.18]
1159-> PHE 88 HA - ILE 90 HG2* [ 0.00 5.37] 0.51 0.59 0.65 0.42 0.60 0.28 0.44 0.25 0.56 0.32 0.49 0.58 0.00 0.57 0.23 0.46 0.68 0.45 0.25 0.33 - 19 [ 0.23 .. 0.68]
1160-> ALA 75 HA - ILE 90 HG2* [ 0.00 4.91] 0.00 0.00 0.21 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.05 0.00 0.03 0.15 0.18 0.00 0.20 - 8 [ 0.03 .. 0.24]
1165-> ILE 90 HD1* - LYS 113 HA [ 0.00 5.03] 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.42 .. 0.67]
1166-> MET 77 HB2 - ILE 90 HD1* [ 0.00 6.52] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 2.00 .. 2.00]
1174-> PHE 57 HB3 - ILE 95 HG2* [ 0.00 6.52] 0.00 0.26 0.00 1.20 0.95 1.68 0.71 0.56 0.00 0.00 0.90 0.47 0.00 0.98 0.07 0.00 0.00 1.29 0.36 1.24 - 13 [ 0.07 .. 1.68]
1185-> VAL 67 HG2* - LYS 98 HE2 [ 0.00 6.30] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.73 0.00 0.00 - 2 [ 0.73 .. 1.03]
1187-> LEU 63 HD2* - LYS 98 HE2 [ 0.00 5.90] 0.00 0.46 0.00 1.37 0.34 0.14 0.12 1.67 0.19 1.76 0.00 0.00 0.00 0.00 0.00 0.62 0.00 1.08 0.00 1.24 - 11 [ 0.12 .. 1.76]
1189-> LEU 63 HD2* - LYS 98 HE3 [ 0.00 5.90] 0.00 0.00 0.00 0.97 0.00 0.00 0.00 1.22 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.07 0.00 1.00 0.00 0.86 - 6 [ 0.07 .. 1.30]
1191-> THR 24 HG2* - TYR 102 HE* [ 0.00 8.65] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.22 .. 3.72]
1193-> LEU 74 HD2* - LEU 108 HB2 [ 0.00 6.52] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.15 .. 0.15]
1197-> TRP 25 HB3 - VAL 111 HG2* [ 0.00 5.06] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 - 1 [ 1.73 .. 1.73]
1198-> TRP 25 HB2 - VAL 111 HG2* [ 0.00 5.87] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 - 1 [ 0.89 .. 0.89]
1202-> ILE 90 HD1* - MET 112 HG3 [ 0.00 6.52] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 - 3 [ 0.02 .. 0.53]
1203-> ILE 90 HD1* - LYS 113 HG2 [ 0.00 6.52] 0.00 0.00 1.50 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.25 0.00 0.00 - 4 [ 0.25 .. 1.78]
1204-> ILE 90 HD1* - LYS 113 HD2 [ 0.00 6.52] 0.20 0.59 2.04 0.00 0.16 1.07 0.10 0.00 0.00 0.00 0.00 0.83 2.43 0.45 0.38 0.00 0.02 1.08 0.16 0.00 - 13 [ 0.02 .. 2.43]
1205-> VAL 111 HG1* - GLN 114 HG2 [ 0.00 6.52] 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.81 - 3 [ 0.46 .. 1.14]
1206-> THR 24 HG2* - TYR 102 HD* [ 0.00 8.65] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 3.50 .. 3.50]
1209-> LEU 63 HN - LEU 68 HD2* [ 0.00 6.52] 0.00 0.00 1.55 0.00 0.00 0.52 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 - 2 [ 0.52 .. 1.55]
1216-> THR 24 HG2* - LEU 97 HD2* [ 0.00 7.54] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.93 .. 1.93]
1217-> TRP 25 HZ2 - LEU 97 HD2* [ 0.00 6.52] 0.00 0.51 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 9.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.51 .. 9.77]
1218-> TRP 25 HH2 - LEU 94 HD2* [ 0.00 6.52] 0.00 2.56 2.14 2.75 0.00 0.00 1.41 1.93 1.09 4.56 3.31 9.05 0.52 0.00 0.00 2.35 0.00 2.50 3.66 2.18 - 14 [ 0.52 .. 9.05]
1219-> TRP 25 HH2 - LEU 97 HD2* [ 0.00 6.52] 0.00 0.00 1.37 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 9.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 1.37 .. 9.92]
1225-> PHE 39 HZ - ILE 49 HD1* [ 0.00 6.52] 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 0.00 0.12 - 1 [ 0.12 .. 0.12]
1233-> VAL 67 HG2* - LYS 98 HE3 [ 0.00 6.30] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 - 1 [ 0.19 .. 0.19]
1236-> LEU 63 HA - LEU 68 HD2* [ 0.00 6.52] 0.00 0.00 1.82 0.00 0.00 1.22 0.00 0.00 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 [ 1.22 .. 1.82]
1238-> LEU 68 HB3 - ILE 71 HD1* [ 0.00 6.52] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 - 2 [ 0.01 .. 1.27]
1239-> LEU 68 HG - ILE 71 HD1* [ 0.00 6.52] 0.00 0.00 0.00 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 - 1 [ 1.06 .. 1.06]
1243-> MET 77 HG2 - ILE 90 HD1* [ 0.00 6.52] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.33 .. 0.33]
1244-> MET 77 HE* - GLU 87 HG3 [ 0.00 5.40] 3.88 1.65 0.00 1.24 1.41 0.00 2.53 1.30 0.00 1.49 0.00 1.33 1.33 2.43 0.17 0.00 1.35 0.00 2.08 2.29 - 14 [ 0.17 .. 3.88]
1250-> LEU 97 HD1* - GLN 100 HB3 [ 0.00 6.52] 0.00 0.66 0.39 0.80 0.89 0.00 0.36 0.50 0.82 0.93 0.52 0.00 0.00 0.65 0.00 1.01 0.46 0.41 0.38 0.00 - 14 [ 0.36 .. 1.01]
1251-> LEU 63 HD2* - LYS 98 HG3 [ 0.00 6.52] 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.59 .. 0.59]
1262-> ILE 90 HD1* - LYS 113 HG3 [ 0.00 6.52] 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.94 .. 1.30]
1263-> ILE 90 HD1* - LYS 113 HD3 [ 0.00 6.52] 0.08 0.65 2.55 0.00 0.00 1.73 0.63 0.00 0.00 0.00 0.00 0.81 2.84 0.18 0.07 0.00 0.82 1.66 0.00 0.00 - 11 [ 0.07 .. 2.84]
1264-> VAL 111 HG1* - GLN 114 HG3 [ 0.00 6.52] 0.69 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.69 0.00 0.12 0.00 0.00 0.00 0.46 0.00 0.00 - 6 [ 0.12 .. 1.77]
1268-> ILE 90 HA - MET 112 HE* [ 0.00 6.52] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.97 .. 0.97]
1269-> ILE 90 HB - MET 112 HE* [ 0.00 6.52] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.36 .. 0.36]
1270-> LEU 97 HD2* - MET 112 HE* [ 0.00 7.54] 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.18 .. 0.18]
1274-> ILE 27 HG2* - MET 112 HE* [ 0.00 7.54] 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.58 .. 1.69]
1276-> GLU 31 HB2 - MET 112 HE* [ 0.00 6.52] 0.73 1.31 4.44 2.03 2.04 0.45 0.45 2.10 4.65 2.11 0.79 1.89 2.02 0.00 1.17 0.45 1.26 2.29 1.57 1.54 - 19 [ 0.45 .. 4.65]
1277-> GLU 31 HB3 - MET 112 HE* [ 0.00 6.52] 0.19 0.84 3.71 1.67 1.49 0.00 0.00 1.55 3.97 1.83 0.41 1.12 1.43 0.00 0.73 0.00 0.90 1.47 1.24 0.95 - 16 [ 0.19 .. 3.97]
1299-> ALA 54 HB* - TRP 72 HH2 [ 0.00 6.52] 2.44 0.71 1.88 0.71 0.00 0.00 2.52 0.23 1.07 0.00 0.00 0.86 0.00 1.09 0.00 0.00 0.00 1.71 0.92 0.24 - 12 [ 0.23 .. 2.52]
1303-> PRO 17 HG* - PHE 18 HD* [ 0.00 6.39] 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 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.77 .. 0.77]
1307-> TRP 25 HZ3 - LEU 94 HD* [ 0.00 6.98] 0.00 0.52 0.14 2.41 0.00 0.00 1.27 1.88 0.34 1.79 2.62 5.15 0.00 0.00 0.00 2.01 0.00 2.25 2.92 1.87 - 13 [ 0.14 .. 5.15]
1308-> TRP 25 HZ2 - TYR 102 HB* [ 0.00 6.38] 0.00 0.75 0.00 0.00 0.57 0.00 0.04 0.00 0.00 0.00 0.00 14.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.04 .. 14.11]
1309-> TRP 25 HH2 - TYR 102 HB* [ 0.00 6.38] 0.00 0.00 1.81 0.00 0.00 0.00 1.77 0.00 0.14 0.00 0.19 14.48 0.00 0.00 0.00 0.00 0.00 0.37 1.04 0.00 - 7 [ 0.14 .. 14.48]
1311-> ILE 27 HN - GLU 31 HG* [ 0.00 6.38] 0.00 0.73 0.70 0.00 0.82 0.83 0.00 0.65 0.00 0.10 1.09 1.00 0.00 0.00 0.82 0.00 0.85 0.62 0.36 0.00 - 12 [ 0.10 .. 1.09]
1314-> ILE 27 HG1* - GLU 31 HG* [ 0.00 6.32] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.13 .. 0.13]
1315-> ILE 27 HG12 - GLU 31 HG2 [ 0.00 7.26] 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.11 0.00 0.00 0.00 0.00 - 3 [ 0.11 .. 0.77]
1316-> ILE 27 HG13 - GLU 31 HG3 [ 0.00 7.26] 0.00 0.40 0.48 0.00 0.50 0.64 0.00 0.28 0.00 0.00 0.70 0.62 0.00 0.00 1.00 0.00 0.38 0.30 0.00 0.00 - 10 [ 0.28 .. 1.00]
1333-> ALA 33 HA - ASP 36 HB* [ 0.00 4.04] 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.52 0.51 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.51 .. 0.84]
1350-> HIS 40 HA - PRO 44 HG* [ 0.00 5.12] 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 0.00 0.00 0.00 0.41 - 2 [ 0.30 .. 0.41]
1355-> LEU 42 HD1* - ILE 49 HG1* [ 0.00 5.35] 0.58 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.58 .. 0.63]
1362-> ILE 45 HG1* - PHE 48 HN [ 0.00 6.38] 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.33 .. 0.33]
1364-> SER 46 HB* - PHE 48 HE* [ 0.00 6.38] 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]
1368-> ILE 49 HN - GLN 85 HE2* [ 0.00 6.36] 0.00 1.09 0.00 2.75 0.00 0.00 0.83 2.99 2.29 3.07 1.82 2.89 0.00 1.77 0.00 2.88 0.00 2.87 3.29 5.37 - 13 [ 0.83 .. 5.37]
1375-> ILE 49 HG1* - GLN 85 HE2* [ 0.00 6.32] 0.00 0.97 0.00 2.18 0.00 0.22 0.26 2.37 1.51 2.72 2.03 2.29 0.31 1.75 0.00 1.54 0.00 2.48 2.35 3.80 - 15 [ 0.22 .. 3.80]
1376-> ILE 49 HG13 - GLN 85 HE21 [ 0.00 7.26] 1.09 2.50 0.00 4.14 0.00 1.45 1.87 4.44 3.37 4.90 3.64 4.26 1.57 3.38 1.26 2.45 1.14 4.59 4.40 6.08 - 18 [ 1.09 .. 6.08]
1377-> ILE 49 HG13 - GLN 85 HE22 [ 0.00 7.26] 2.81 4.06 0.72 5.16 1.16 3.14 2.62 5.32 4.26 5.54 5.30 5.35 3.21 5.05 2.92 3.29 2.85 5.40 5.28 7.02 - 20 [ 0.72 .. 7.02]
1381-> THR 50 HA - GLN 85 HE2* [ 0.00 6.36] 3.98 5.43 1.53 7.10 2.82 4.00 4.89 7.38 6.64 7.21 5.81 7.20 4.08 6.01 4.14 6.65 3.86 7.24 7.47 9.05 - 20 [ 1.53 .. 9.05]
1386-> GLY 51 HA* - TRP 72 HZ3 [ 0.00 6.38] 3.86 0.61 1.29 1.55 0.00 0.00 4.87 0.00 0.92 0.00 0.00 0.12 0.00 2.94 0.00 0.00 0.00 3.21 0.10 0.00 - 10 [ 0.10 .. 4.87]
1411-> GLN 60 HE2* - SER 61 HN [ 0.00 6.36] 0.00 0.10 0.00 0.34 0.00 0.01 0.00 0.00 0.00 0.00 0.20 0.12 0.07 0.00 0.16 0.08 0.15 0.02 0.07 0.15 - 12 [ 0.01 .. 0.34]
1415-> SER 61 HB* - LEU 68 HD2* [ 0.00 7.40] 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.62 .. 0.62]
1439-> LEU 63 HD2* - LYS 98 HE* [ 0.00 5.77] 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.75 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.41 - 5 [ 0.41 .. 0.83]
1459-> VAL 67 HN - GLN 70 HG* [ 0.00 6.38] 0.31 0.00 0.58 0.00 0.67 0.00 0.74 0.00 1.28 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 0.00 - 7 [ 0.20 .. 1.28]
1476-> GLN 70 HG* - LEU 74 HG [ 0.00 6.38] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 2.15 .. 2.15]
1477-> GLN 70 HG* - LEU 74 HD1* [ 0.00 6.11] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.44 .. 0.44]
1478-> GLN 70 HE2* - ALA 73 HN [ 0.00 6.36] 0.00 1.52 0.66 1.57 0.87 1.60 0.75 1.85 0.84 1.65 1.05 1.43 0.57 0.00 1.35 1.67 0.00 1.74 0.95 1.36 - 17 [ 0.57 .. 1.85]
1480-> GLN 70 HE2* - LEU 74 HD2* [ 0.00 7.38] 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 0.06 0.00 0.53 0.00 0.00 0.00 0.00 - 2 [ 0.06 .. 0.53]
1486-> ILE 71 HG1* - ILE 95 HB [ 0.00 6.38] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 - 1 [ 0.55 .. 0.55]
1494-> TRP 72 HZ2 - ASP 76 HB* [ 0.00 6.38] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.25 0.00 0.00 - 1 [ 3.25 .. 3.25]
1496-> ALA 73 HB* - ASN 79 HD2* [ 0.00 7.38] 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 0.00 0.00 0.00 0.00 0.00 0.66 0.42 - 3 [ 0.04 .. 0.66]
1497-> LEU 74 HN - SER 106 HB* [ 0.00 6.38] 0.00 0.86 0.27 0.36 1.31 0.39 1.17 0.16 1.42 0.69 0.65 0.00 0.00 1.36 0.00 1.74 1.76 0.90 0.37 0.00 - 16 [ 0.00 .. 1.76]
1505-> MET 77 HN - ASN 79 HB* [ 0.00 6.38] 0.39 0.28 0.00 0.00 0.00 0.05 0.54 0.00 0.00 0.00 0.33 0.00 0.00 0.68 0.39 0.00 0.00 0.00 0.00 0.00 - 7 [ 0.05 .. 0.68]
1509-> MET 77 HE* - ILE 90 HG1* [ 0.00 5.14] 2.61 1.03 0.88 0.27 1.05 2.02 2.97 0.28 0.00 2.00 0.85 0.86 0.73 2.65 0.77 0.00 1.14 0.00 1.59 0.92 - 17 [ 0.27 .. 2.97]
1511-> ASN 78 HD2* - ASP 80 HA [ 0.00 6.36] 0.00 0.19 0.14 0.04 0.38 0.21 0.00 0.50 0.34 0.00 0.36 0.18 0.51 0.00 0.00 0.94 0.80 0.04 0.69 0.82 - 15 [ 0.04 .. 0.94]
1513-> ASN 79 HA - GLU 87 HG* [ 0.00 6.38] 0.54 0.51 0.88 0.30 0.81 0.38 0.26 0.31 0.35 0.62 0.15 0.50 0.48 0.30 1.22 0.41 0.37 0.49 0.00 0.99 - 19 [ 0.15 .. 1.22]
1514-> ASN 79 HD2* - MET 83 HN [ 0.00 6.36] 3.72 3.21 2.61 2.85 4.86 2.85 3.38 2.50 2.53 2.86 2.84 2.72 2.60 3.87 2.58 2.78 2.61 3.06 3.30 3.00 - 20 [ 2.50 .. 4.86]
1536-> GLN 85 HB* - SER 89 HA [ 0.00 6.38] 0.00 0.00 0.00 0.91 0.00 0.14 0.46 1.01 0.65 0.08 0.58 0.76 0.00 0.00 0.47 0.69 0.29 0.58 0.68 0.29 - 14 [ 0.08 .. 1.01]
1542-> ILE 90 HG1* - MET 112 HE* [ 0.00 7.40] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.43 .. 0.43]
1543-> ILE 90 HG1* - LYS 113 HA [ 0.00 5.70] 0.00 0.72 2.13 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.15 0.61 0.00 0.00 - 6 [ 0.15 .. 2.13]
1575-> TYR 102 HB* - GLN 103 HN [ 0.00 3.42] 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.29 .. 0.32]
1583-> VAL 111 HN - LYS 113 HD* [ 0.00 6.38] 0.00 0.00 0.00 0.00 0.00 0.33 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.73 1.67 - 5 [ 0.07 .. 1.67]
1584-> VAL 111 HA - LYS 113 HD* [ 0.00 6.38] 0.89 1.01 0.52 1.09 0.41 1.40 1.30 0.74 0.37 0.98 0.81 0.74 0.86 0.92 0.68 0.87 1.13 0.65 1.50 1.77 - 20 [ 0.37 .. 1.77]
1585-> VAL 111 HA - GLN 114 HB* [ 0.00 5.17] 0.31 0.45 0.27 0.00 0.00 0.00 0.00 0.58 0.23 0.16 0.00 0.81 0.82 0.48 0.00 0.00 0.08 0.47 0.00 0.00 - 11 [ 0.08 .. 0.82]
1586-> VAL 111 HA - GLN 114 HG* [ 0.00 4.73] 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 1.45 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.23 - 5 [ 0.22 .. 1.45]
1592-> MET 112 HN - LYS 113 HG* [ 0.00 6.07] 0.00 0.00 0.20 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.02 .. 0.20]
1599-> GLN 114 HB* - GLN 115 HN [ 0.00 3.53] 0.00 0.00 0.21 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 - 2 [ 0.21 .. 0.25]
-------------------------------------------
Number of Violations greater than 0.10 84 119 141 101 114 121 109 110 103 97 109 145 93 107 101 116 99 127 111 126
-------------------------------------------
---- 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: 11 17 24 13 20 15 15 18 16 15 14 17 14 14 11 15 19 14 20 22 16.20
0.2 - 0.5 ang: 30 30 44 30 35 44 40 35 29 24 36 40 24 34 32 33 28 37 27 38 33.50
> 0.5 ang: 43 72 73 58 59 62 54 57 58 58 59 88 55 59 58 68 52 76 64 66 61.95
Total : 112 139 163 120 134 148 140 140 128 122 134 165 119 127 126 148 121 161 129 145 136.05
Minimum Violation : 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
Maximum Violation : 4.508 7.451 4.621 7.358 4.859 4.005 7.394 7.384 7.494 7.206 8.392 14.481 5.469 6.012 4.238 7.237 8.317 7.366 8.655 9.046 14.481
Max Intra Viol : 0.581 0.562 0.507 0.583 0.767 0.681 0.642 0.594 0.587 1.179 0.644 0.612 0.644 0.680 0.580 0.655 0.878 0.559 0.624 0.871 1.179
Max Seque Viol : 1.015 1.114 1.017 1.968 2.100 1.223 1.017 2.191 1.045 1.665 1.828 2.762 2.252 2.234 1.718 2.259 2.185 1.617 1.702 1.684 2.762
Max Medium Viol : 3.841 3.589 2.613 6.423 4.859 3.762 7.394 4.421 7.494 3.272 2.838 4.657 2.756 5.494 4.238 4.653 8.317 3.380 3.838 4.271 8.317
Max Long Viol : 4.508 7.451 4.621 7.358 2.821 4.005 6.751 7.384 6.635 7.206 8.392 14.481 5.469 6.012 4.142 7.237 4.432 7.366 8.655 9.046 14.481
Average Violation : 0.057 0.072 0.080 0.081 0.057 0.067 0.087 0.078 0.077 0.075 0.069 0.167 0.056 0.080 0.054 0.086 0.067 0.119 0.085 0.097 0.08065
Avge Intra Viol : 0.010 0.008 0.011 0.009 0.011 0.013 0.010 0.007 0.007 0.009 0.012 0.008 0.008 0.012 0.008 0.008 0.014 0.011 0.007 0.011 0.00967
Avge Seque Viol : 0.052 0.085 0.053 0.086 0.074 0.097 0.098 0.081 0.095 0.062 0.068 0.103 0.050 0.089 0.089 0.093 0.110 0.082 0.065 0.107 0.08190
Avge Mediu Viol : 0.018 0.021 0.022 0.030 0.030 0.026 0.018 0.027 0.021 0.033 0.042 0.031 0.027 0.024 0.026 0.043 0.032 0.031 0.033 0.032 0.02844
Avge Long Viol : 0.166 0.186 0.269 0.214 0.117 0.134 0.242 0.215 0.194 0.220 0.165 0.607 0.153 0.211 0.087 0.213 0.107 0.404 0.262 0.257 0.22110
RMS Violation : 0.371 0.400 0.387 0.504 0.303 0.336 0.545 0.461 0.513 0.461 0.427 1.036 0.324 0.453 0.294 0.472 0.473 0.653 0.508 0.558 0.49941
RMS Intra : 0.063 0.050 0.064 0.055 0.071 0.073 0.058 0.054 0.047 0.075 0.071 0.052 0.059 0.067 0.054 0.054 0.078 0.062 0.052 0.071 0.06215
RMS Sequential : 0.326 0.371 0.229 0.539 0.383 0.420 0.620 0.400 0.659 0.336 0.284 0.445 0.268 0.473 0.398 0.455 0.732 0.405 0.336 0.467 0.44567
RMS Medium range : 0.095 0.108 0.106 0.167 0.165 0.127 0.090 0.166 0.102 0.158 0.211 0.186 0.175 0.155 0.138 0.232 0.184 0.156 0.168 0.161 0.15695
RMS Long range : 0.701 0.743 0.791 0.870 0.431 0.508 0.922 0.867 0.782 0.906 0.837 2.201 0.597 0.788 0.391 0.834 0.484 1.336 1.019 1.069 0.93477
Final --global-- Summary for 20 models, 1604 NOEs/model, 32080 NOEs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ of viol : 2587.390
Summ sq. viol : 8001.078
Maximum viol : 14.481
Average viol : 0.08065
RMSD viol : 0.49941
Std. Dev. viol : 0.49285
RMS Intra : 0.06215
RMS Seque : 0.44567
RMS Medi : 0.15695
RMS Long : 0.93477
table of dihedral angle constraints violations
1-> [VAL A 29] PHI -69.0 -45.0 0.0 0.0 0.0 0.0 0.0 0.0 1.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.4]
2-> [VAL A 29] PSI -55.0 -21.0 0.0 0.0 0.0 0.0 0.0 0.0 1.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.3]
3-> [GLU A 30] PHI -75.0 -53.0 0.0 0.3 0.0 0.0 0.0 0.0 8.8 0.0 0.0 0.0 0.0 0.0 11.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 11.0]
6-> [GLU A 31] PSI -53.0 -33.0 7.4 0.0 1.6 0.0 0.0 0.0 5.1 0.0 0.0 4.8 3.0 0.0 2.5 0.0 2.6 0.0 0.0 2.7 0.0 0.0 - 8 [ 0.0 .. 7.4]
9-> [ALA A 33] PHI -85.0 -51.0 0.0 0.0 0.0 0.0 0.0 0.0 1.6 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 - 2 [ 0.0 .. 1.6]
11-> [LYS A 34] PHI -77.0 -57.0 0.0 0.0 0.0 0.0 0.0 0.0 1.6 0.0 0.0 0.0 0.0 0.0 0.0 0.6 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.6]
12-> [LYS A 34] PSI -51.0 -27.0 0.0 3.6 0.0 0.0 0.0 18.2 1.6 0.0 0.0 8.7 0.0 0.0 0.0 0.3 4.7 0.0 0.0 0.0 0.0 0.0 - 6 [ 0.0 .. 18.2]
13-> [HIS A 35] PHI -77.0 -55.0 2.2 0.0 0.0 0.0 0.0 5.1 0.0 3.5 4.9 0.0 0.0 0.0 0.0 2.7 0.0 0.0 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 5.1]
14-> [HIS A 35] PSI -55.0 -21.0 0.0 0.0 0.0 0.0 0.0 0.0 1.3 0.0 0.0 1.1 1.1 0.0 0.0 1.0 2.3 0.0 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 2.3]
17-> [GLN A 37] PHI -77.0 -51.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 33.1 0.0 0.0 0.0 0.0 25.9 2.1 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 33.1]
19-> [GLN A 38] PHI -77.0 -57.0 13.3 4.0 0.0 15.3 0.0 24.8 26.4 3.7 6.3 15.5 22.5 10.0 0.0 6.6 17.0 0.0 0.0 0.3 0.0 0.0 - 13 [ 0.0 .. 26.4]
20-> [GLN A 38] PSI -51.0 -21.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.0 0.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.0]
21-> [PHE A 39] PHI -75.0 -55.0 2.5 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 .. 2.5]
23-> [HIS A 40] PHI -73.0 -51.0 2.0 2.2 0.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.3 0.0 0.0 0.0 0.0 3.8 3.6 0.0 0.0 0.0 - 6 [ 0.0 .. 5.3]
24-> [HIS A 40] PSI -49.0 -29.0 5.6 9.1 0.0 0.0 0.0 0.9 0.0 9.1 0.0 0.0 12.1 0.0 0.0 0.0 0.0 5.4 6.2 0.0 0.0 0.0 - 7 [ 0.0 .. 12.1]
25-> [SER A 41] PHI -75.0 -55.0 0.0 2.3 0.0 0.0 0.0 0.0 0.0 0.0 0.1 0.2 0.0 0.0 6.3 0.0 0.0 0.0 0.0 0.0 0.0 3.2 - 5 [ 0.0 .. 6.3]
26-> [SER A 41] PSI -63.0 -19.0 4.8 10.1 0.0 6.2 0.0 4.7 4.0 4.0 9.5 9.5 4.3 5.3 17.3 1.0 10.8 4.5 7.8 4.9 8.9 0.0 - 17 [ 0.0 .. 17.3]
27-> [LEU A 42] PHI -119.0 -63.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 8.2 - 1 [ 0.0 .. 8.2]
28-> [LEU A 42] PSI -41.0 53.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 8.7 - 1 [ 0.0 .. 8.7]
30-> [GLY A 51] PSI -61.0 -23.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.0 0.0 1.9 0.0 0.0 - 2 [ 0.0 .. 4.0]
31-> [ASP A 52] PHI -77.0 -57.0 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 0.0 0.0 0.0 4.9 0.0 0.0 - 2 [ 0.0 .. 4.9]
33-> [GLN A 53] PHI -75.0 -53.0 0.0 0.0 0.0 0.0 1.5 2.9 9.9 0.0 0.0 9.6 0.0 0.0 0.0 0.0 0.0 10.2 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 10.2]
38-> [ARG A 55] PSI -55.0 -35.0 0.6 5.0 0.0 0.0 4.9 0.0 0.0 0.1 4.7 4.6 0.0 0.0 0.0 0.0 5.0 0.0 9.8 0.0 10.8 0.0 - 9 [ 0.0 .. 10.8]
41-> [PHE A 57] PHI -73.0 -53.0 0.0 0.0 0.0 0.0 1.2 0.0 3.1 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 - 2 [ 0.0 .. 3.1]
42-> [PHE A 57] PSI -59.0 -45.0 2.4 4.4 7.1 1.0 5.0 0.0 3.4 4.0 0.0 6.6 0.0 2.6 3.1 0.0 2.7 5.0 3.7 0.0 3.3 5.5 - 15 [ 0.0 .. 7.1]
43-> [PHE A 58] PHI -123.0 -45.0 0.0 0.0 0.0 0.0 1.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.4]
45-> [PHE A 59] PHI -71.0 -49.0 9.3 0.0 12.6 0.0 0.0 0.0 3.7 0.0 4.1 0.0 9.0 0.0 0.0 0.0 0.0 0.6 2.8 0.0 0.0 0.0 - 7 [ 0.0 .. 12.6]
46-> [PHE A 59] PSI -57.0 -9.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 5.3]
47-> [GLN A 60] PHI -79.0 -51.0 0.0 0.0 0.0 0.0 14.0 0.0 0.0 0.0 4.5 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 .. 14.0]
48-> [GLN A 60] PSI -61.0 5.0 0.0 0.0 0.0 0.0 15.1 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 .. 15.1]
51-> [LEU A 68] PHI -75.0 -55.0 0.0 0.0 5.0 0.0 0.0 0.3 0.0 0.0 0.0 0.0 3.0 4.9 0.1 0.0 0.0 0.0 0.0 0.0 0.4 0.0 - 6 [ 0.0 .. 5.0]
53-> [ALA A 69] PHI -75.0 -55.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 10.7]
56-> [GLN A 70] PSI -51.0 -31.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7.2 0.0 - 1 [ 0.0 .. 7.2]
65-> [ALA A 75] PHI -89.0 -65.0 0.0 0.1 0.0 0.0 0.0 0.0 2.5 0.0 0.0 2.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 2.5]
67-> [MET A 77] PHI -67.0 -45.0 0.2 7.8 0.0 7.5 0.7 0.0 25.1 4.6 1.8 0.0 0.0 5.4 8.6 9.9 0.0 9.2 2.3 1.9 33.1 38.1 - 15 [ 0.0 .. 38.1]
68-> [MET A 77] PSI -53.0 -31.0 0.7 0.5 0.0 2.4 2.6 0.0 34.0 0.0 0.0 1.0 0.0 1.8 0.4 28.3 6.0 0.0 0.0 0.0 33.0 43.7 - 12 [ 0.0 .. 43.7]
70-> [ASN A 78] PSI -11.0 39.0 0.0 7.3 13.5 2.7 23.3 0.0 2.0 2.9 7.4 6.3 9.0 0.0 9.0 0.5 12.1 0.0 14.7 0.0 5.6 6.6 - 15 [ 0.0 .. 23.3]
71-> [GLN A 85] PHI -73.0 -51.0 0.0 0.0 0.0 0.0 0.0 0.0 1.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.2 0.0 - 2 [ 0.0 .. 1.2]
72-> [GLN A 85] PSI -49.0 -21.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.9 0.4 0.0 0.0 0.0 0.0 0.0 0.0 1.9 2.6 0.0 0.0 0.0 - 4 [ 0.0 .. 2.6]
73-> [VAL A 86] PHI -83.0 -51.0 0.0 0.0 0.0 0.0 0.0 7.5 0.0 0.0 0.0 1.4 6.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 7.5]
74-> [VAL A 86] PSI -57.0 -37.0 0.0 0.0 0.0 0.0 0.0 0.0 11.9 2.8 0.0 0.0 0.0 0.0 0.0 0.0 3.4 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 11.9]
75-> [GLU A 87] PHI -73.0 -51.0 0.0 0.0 0.0 0.0 0.0 0.0 7.8 2.9 0.0 0.0 0.0 0.0 0.0 0.0 4.2 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 7.8]
76-> [GLU A 87] PSI -71.0 -23.0 0.0 0.0 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 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 3.0]
77-> [PHE A 88] PHI -75.0 -53.0 0.0 0.0 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 1.5 0.0 0.0 - 2 [ 0.0 .. 1.5]
78-> [PHE A 88] PSI -55.0 -29.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 3.6]
80-> [SER A 89] PSI -49.0 -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 10.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 10.3]
82-> [ILE A 90] PSI -47.0 23.0 2.8 0.0 0.0 0.0 0.0 0.0 0.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 2.8]
84-> [ALA A 91] PSI -35.0 21.0 0.0 11.5 6.2 10.4 0.0 0.0 3.4 3.5 6.8 0.0 6.8 7.4 0.0 6.4 0.9 27.1 7.9 0.0 1.9 0.0 - 13 [ 0.0 .. 27.1]
89-> [ILE A 95] PHI -75.0 -55.0 0.0 0.0 0.0 0.2 0.0 1.3 0.0 2.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 2.1]
90-> [ILE A 95] PSI -53.0 -33.0 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 1.5 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 2.3]
92-> [LYS A 96] PSI -61.0 -29.0 0.0 0.0 0.0 0.0 0.0 2.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.9 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 2.4]
95-> [LYS A 98] PHI -75.0 -55.0 0.0 0.0 0.0 10.1 0.0 1.1 0.0 9.0 4.5 2.9 0.0 0.0 10.9 3.5 0.0 3.8 0.0 5.0 0.0 13.3 - 10 [ 0.0 .. 13.3]
96-> [LYS A 98] PSI -49.0 -29.0 0.0 0.0 0.0 3.9 0.0 0.0 0.0 0.0 1.4 2.1 0.0 0.0 16.4 2.4 0.0 2.3 0.0 15.5 0.0 6.5 - 8 [ 0.0 .. 16.4]
97-> [LEU A 99] PHI -77.0 -57.0 0.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.3 0.0 - 2 [ 0.0 .. 1.3]
99-> [GLN A 100] PHI -99.0 -69.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.6 0.0 0.0 0.0 0.0 0.0 0.5 0.0 0.0 - 2 [ 0.0 .. 2.6]
100-> [GLN A 100] PSI -25.0 9.0 0.0 0.0 6.7 9.8 0.0 0.0 0.0 7.1 8.7 4.8 8.5 10.6 0.0 0.0 9.3 0.0 0.0 5.3 0.0 10.7 - 10 [ 0.0 .. 10.7]
102-> [VAL A 111] PSI -56.0 -20.0 1.1 0.0 0.0 11.4 0.0 11.7 0.0 3.1 0.0 0.0 12.1 0.0 0.0 6.4 9.6 0.0 0.0 0.0 17.2 6.0 - 9 [ 0.0 .. 17.2]
103-> [MET A 112] PHI -101.0 -41.0 0.0 0.0 0.0 5.4 0.0 15.3 0.0 0.0 0.0 0.0 5.8 0.0 0.0 2.5 9.1 0.0 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 15.3]
104-> [MET A 112] PSI -51.0 -23.0 0.0 0.0 0.0 0.0 7.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.8 - 2 [ 0.0 .. 7.6]
105-> [LYS A 113] PHI -107.0 -63.0 0.0 0.0 0.0 1.4 6.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 6.2]
106-> [LYS A 113] PSI -49.0 15.0 0.0 0.0 0.0 0.0 0.0 0.0 11.5 0.0 0.0 0.0 0.0 0.0 8.0 0.0 16.2 0.0 6.5 9.8 0.0 0.0 - 5 [ 0.0 .. 16.2]
110-> [SER A 21] PSI -15.0 -155.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7.8 0.0 0.0 6.5 0.0 - 3 [ 0.0 .. 7.8]
117-> [LEU A 22] PSI 95.0 25.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 31.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 31.6]
118-> [LEU A 22] PSI -45.0 -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 2.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.1]
122-> [ASP A 23] PSI -15.0 155.0 19.2 33.5 0.0 0.0 0.0 0.0 0.0 21.1 0.0 0.0 23.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 33.5]
131-> [TRP A 25] PSI -85.0 35.0 0.0 0.0 0.0 0.0 0.0 0.0 11.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 11.7]
145-> [VAL A 29] CHI1 45.0 -155.0 0.0 0.0 0.0 0.0 0.0 0.0 99.5 0.0 0.0 0.0 0.0 0.0 89.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 99.5]
162-> [HIS A 35] CHI1 155.0 85.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.8 0.8 0.0 0.0 0.0 0.3 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 3.8]
194-> [SER A 46] 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]
228-> [PHE A 57] CHI1 175.0 -165.0 0.0 0.0 0.0 5.7 0.0 11.6 0.0 0.0 0.5 0.0 3.5 0.0 0.0 6.3 0.0 0.0 0.0 4.1 0.0 0.0 - 6 [ 0.0 .. 11.6]
229-> [PHE A 57] CHI2 -105.0 -65.0 136.9 140.4 146.1 132.4 143.2 127.4 149.2 139.3 144.1 132.5 134.7 134.5 140.9 133.1 135.7 141.1 146.5 131.1 148.2 141.2 - 20 [ 127.4 .. 149.2]
232-> [PHE A 58] CHI2 25.0 -25.0 0.0 19.9 0.0 0.0 0.0 0.0 0.0 6.3 21.0 13.9 0.0 10.8 13.4 0.0 17.4 12.3 0.0 0.0 11.6 18.3 - 10 [ 0.0 .. 21.0]
234-> [PHE A 59] CHI1 155.0 -85.0 24.9 0.0 24.3 7.5 0.0 17.8 18.6 0.0 11.2 0.0 17.3 0.0 0.0 18.0 0.0 0.0 23.3 0.0 0.0 0.0 - 9 [ 0.0 .. 24.9]
235-> [PHE A 59] CHI2 25.0 -25.0 4.6 0.0 7.1 17.4 0.0 5.2 11.4 0.0 0.0 0.0 11.8 0.0 0.0 12.1 0.0 0.0 4.3 0.0 0.0 0.0 - 8 [ 0.0 .. 17.4]
247-> [LEU A 63] PSI 145.0 85.0 0.0 0.0 7.9 0.0 0.0 6.1 0.0 4.7 0.2 0.0 0.0 9.0 7.5 0.0 0.0 10.2 0.0 0.0 6.8 0.7 - 9 [ 0.0 .. 10.2]
255-> [VAL A 67] CHI1 165.0 -155.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 97.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 97.8]
258-> [LEU A 68] CHI2 35.0 -35.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.7]
260-> [GLN A 70] CHI1 155.0 -95.0 0.0 24.1 0.0 24.0 0.0 21.7 0.0 21.0 0.0 23.6 0.0 26.4 0.0 25.8 22.7 26.8 0.0 25.4 0.0 23.0 - 11 [ 0.0 .. 26.8]
261-> [GLN A 70] CHI1 -175.0 175.0 2.9 0.0 3.9 0.0 2.1 0.0 2.1 0.0 1.6 0.0 3.7 0.0 1.8 0.0 0.0 0.0 0.7 0.0 4.9 0.0 - 9 [ 0.0 .. 4.9]
266-> [TRP A 72] CHI1 155.0 -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 0.0 0.0 0.0 0.0 0.0 19.4 0.0 0.0 - 1 [ 0.0 .. 19.4]
268-> [LEU A 74] CHI1 -145.0 -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 31.7 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 31.7]
269-> [LEU A 74] CHI2 55.0 -55.0 0.0 0.0 0.0 0.0 5.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 13.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 13.1]
277-> [MET A 77] CHI1 -145.0 75.0 0.0 0.0 36.5 0.0 0.0 35.9 0.0 0.0 0.0 0.0 34.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 36.5]
300-> [MET A 83] PHI 45.0 -45.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7.9 0.0 0.0 0.0 0.0 9.8 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 9.8]
301-> [MET A 83] PHI 175.0 75.0 0.0 8.7 0.0 0.1 0.0 0.0 1.1 0.0 5.1 0.0 0.0 2.3 1.5 0.0 0.0 0.0 3.1 0.0 0.1 0.0 - 9 [ 0.0 .. 8.7]
315-> [VAL A 86] CHI1 165.0 65.0 0.0 0.0 0.0 0.0 0.0 0.0 6.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 6.2]
343-> [LYS A 96] CHI1 155.0 -85.0 0.0 0.0 0.0 15.7 15.5 0.0 14.8 14.3 0.0 15.2 0.0 15.1 0.0 0.0 0.0 15.1 12.4 0.0 0.0 16.1 - 9 [ 0.0 .. 16.1]
363-> [TYR A 102] CHI1 -155.0 85.0 0.0 0.0 0.0 0.0 24.5 0.0 0.0 0.0 29.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 29.4]
364-> [TYR A 102] 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 4.6 0.0 0.0 0.0 - 1 [ 0.0 .. 4.6]
366-> [TYR A 102] PSI 145.0 -165.0 0.5 1.5 0.0 0.0 19.2 0.0 0.0 0.0 19.5 10.1 3.4 0.0 0.0 0.0 0.0 0.0 0.0 9.8 0.0 0.0 - 7 [ 0.0 .. 19.5]
379-> [LEU A 104] PSI 55.0 165.0 0.0 0.0 0.0 0.0 0.0 0.0 1.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.8]
380-> [LEU A 104] PSI 145.0 85.0 0.0 3.1 0.0 0.0 0.0 29.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 23.2 20.6 0.0 10.5 0.0 0.0 0.0 - 5 [ 0.0 .. 29.2]
396-> [LEU A 108] PSI 145.0 85.0 12.9 0.0 23.9 0.0 0.0 0.0 0.0 0.0 11.7 0.0 0.0 0.0 0.0 27.7 20.8 0.0 0.0 0.0 0.0 0.0 - 6 [ 0.0 .. 27.7]
397-> [PRO A 109] PSI 155.0 175.0 7.0 0.0 10.2 2.2 0.0 0.0 0.0 10.1 0.0 0.1 0.0 0.0 0.0 0.1 0.0 10.7 0.0 0.0 0.0 0.0 - 7 [ 0.0 .. 10.7]
---- 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 : 13 12 8 12 10 9 22 17 15 17 17 9 12 10 15 11 13 11 10 8 12.55
> 10. degrees : 5 7 7 8 7 10 11 5 6 7 9 7 10 8 10 8 5 4 6 8 7.40
Total : 23 22 18 23 19 22 34 25 25 29 27 17 26 24 27 20 20 17 18 18 22.70
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 : 136.9 140.4 146.1 132.4 143.2 127.4 149.2 139.3 144.1 132.5 134.7 134.5 140.9 133.1 135.7 141.1 146.5 131.1 148.2 141.2 149.17
Max PHI Viol : 13.3 8.7 12.6 15.3 14.0 24.8 26.4 9.0 6.3 33.1 22.5 10.0 11.0 9.9 25.9 10.2 3.6 5.0 33.1 38.1 38.12
Max PSI Viol : 19.2 33.5 23.9 11.4 23.3 29.2 34.0 21.1 19.5 10.1 23.9 31.6 17.3 28.3 20.8 27.1 14.7 15.5 33.0 43.7 43.68
Max CHI1 Viol : 24.9 24.1 36.5 24.0 24.5 35.9 99.5 21.0 29.4 23.6 97.8 26.4 89.8 31.7 22.7 26.8 23.3 25.4 4.9 23.0 99.51
Max CHI2 Viol : 136.9 140.4 146.1 132.4 143.2 127.4 149.2 139.3 144.1 132.5 134.7 134.5 140.9 133.1 135.7 141.1 146.5 131.1 148.2 141.2 149.17
Average Violation : 0.7 0.8 0.8 0.7 0.7 0.9 1.2 0.7 0.8 0.8 1.1 0.7 1.0 0.9 0.9 0.8 0.7 0.6 0.8 0.9 0.821
Avge PHI Viol : 0.510 0.474 0.405 0.595 0.471 0.725 0.912 0.476 0.528 0.805 0.708 0.473 0.659 0.483 0.765 0.512 0.326 0.352 0.566 0.746 0.595
Avge PSI Viol : 0.809 0.998 0.878 0.708 0.882 0.855 0.966 0.864 0.845 0.775 0.945 0.826 0.909 0.986 1.155 0.888 0.836 0.706 1.006 0.956 0.896
Avge CHI1 Viol : 0.496 0.462 0.757 0.684 0.611 0.877 1.118 0.558 0.615 0.614 1.181 0.606 0.900 0.851 0.450 0.609 0.567 0.658 0.208 0.588 0.706
Avge CHI2 Viol : 1.523 1.621 1.585 1.567 1.561 1.474 1.622 1.545 1.645 1.564 1.549 1.544 1.657 1.543 1.584 1.586 1.597 1.466 1.619 1.617 1.574
RMS Violation : 7.148 7.511 7.850 7.005 7.574 7.218 9.516 7.253 7.618 7.167 8.842 7.183 8.622 7.469 7.441 7.483 7.575 6.859 7.914 7.918 7.685
RMS PHI Viol : 1.570 1.202 1.279 1.936 1.460 2.896 3.760 1.109 1.160 3.651 2.508 1.212 2.037 1.219 3.203 1.400 0.561 0.697 3.119 3.888 2.248
RMS PSI Viol : 2.667 4.075 3.250 2.018 3.542 3.718 4.056 2.782 2.850 2.063 3.361 3.580 3.028 4.685 4.115 3.338 2.548 2.222 4.203 4.755 3.437
RMS CHI1 Viol : 2.359 2.264 4.140 2.841 2.738 4.422 9.644 2.384 2.966 2.662 9.903 2.861 8.452 4.245 2.131 2.896 2.483 3.033 0.458 2.642 4.521
RMS CHI2 Viol : 17.541 18.155 18.734 17.099 18.352 16.322 19.154 17.849 18.641 17.064 17.306 17.280 18.200 17.112 17.522 18.133 18.781 16.785 19.035 18.224 17.881
Final --global-- Summary for 20 models, 399 ACOs/model, 7980 ACOs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ. Viol. : 6554.62
Summ. Sq. Viol. : 471330.59
Max. Viol. : 149.168
Avg. Viol. : 0.82138
RMS Viol. : 7.68531
Std. Dev. Viol. : 7.64129
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 0.666 0.917 0.520 0.111
GLY A 2 0.419 0.069
HIS A 3 0.543 0.598 0.658 0.829
HIS A 4 0.632 0.635 0.400 0.513
HIS A 5 0.854 0.744 0.784 0.522
HIS A 6 0.595 0.645 0.457 0.270
HIS A 7 0.742 0.633 0.398 0.670
HIS A 8 0.501 0.674 0.687 0.749
SER A 9 0.768 0.775 0.515
HIS A 10 0.855 0.576 0.381 0.463
MET A 11 0.657 0.741 0.551 0.412 0.180
ALA A 12 0.666 0.566
GLN A 13 0.693 0.630 0.503 0.373 0.750
PHE A 14 0.779 0.835 0.526 0.938
PRO A 15 0.991 0.930 0.933 0.888 15 15
THR A 16 0.870 0.753 0.703
PRO A 17 0.981 0.832 0.902 0.849 17
PHE A 18 0.535 0.698 0.649 0.867
GLY A 19 0.334 0.277
GLY A 20 0.402 0.301
SER A 21 0.766 0.467 0.435
LEU A 22 0.536 0.305 0.706 0.695
ASP A 23 0.257 0.559 0.487 0.917
THR A 24 0.917 0.934 0.486 24 24
TRP A 25 0.974 0.892 0.849 0.305 25
ALA A 26 0.926 0.992 26 26
ILE A 27 0.964 0.992 0.999 0.643 27 27
THR A 28 0.990 0.995 0.999 28 28
VAL A 29 0.999 0.993 0.780 29 29
GLU A 30 0.990 0.998 0.811 0.998 0.951 30 30
GLU A 31 0.998 0.997 0.998 0.435 0.920 31 31
ARG A 32 0.997 0.992 0.603 0.898 0.674 0.724 1.000 32 32
ALA A 33 0.990 0.990 33 33
LYS A 34 0.995 0.984 0.871 0.928 0.920 0.998 34 34
HIS A 35 0.988 0.980 0.302 0.443 35 35
ASP A 36 0.997 0.995 0.941 0.966 36 36
GLN A 37 0.974 0.994 0.816 0.786 0.912 37 37
GLN A 38 0.982 0.992 0.932 0.925 0.850 38 38
PHE A 39 0.998 0.996 0.889 0.977 39 39
HIS A 40 0.996 0.996 0.934 0.645 40 40
SER A 41 0.998 0.989 0.589 41 41
LEU A 42 0.988 0.971 0.853 0.791 42 42
LYS A 43 0.999 0.999 1.000 1.000 1.000 1.000 43 43
PRO A 44 0.992 0.985 0.909 0.825 44 44
ILE A 45 0.971 0.429 0.998 0.840
SER A 46 0.413 0.599 0.318
GLY A 47 0.527 0.983
PHE A 48 0.971 0.967 0.558 0.996 48 48
ILE A 49 0.994 0.989 1.000 0.960 49 49
THR A 50 0.928 0.987 0.594 50 50
GLY A 51 0.998 0.990 51 51
ASP A 52 0.996 0.998 0.944 0.926 52 52
GLN A 53 0.991 0.996 0.819 0.200 0.732 53 53
ALA A 54 0.999 0.997 54 54
ARG A 55 0.997 0.989 0.840 0.933 0.360 0.582 1.000 55 55
ASN A 56 0.998 0.995 1.000 1.000 56 56
PHE A 57 0.995 0.996 0.993 0.994 57 57
PHE A 58 0.966 0.977 0.833 0.537 58 58
PHE A 59 0.990 0.979 0.559 0.670 59 59
GLN A 60 0.988 0.975 0.878 0.560 0.913 60 60
SER A 61 0.995 0.992 0.420 61 61
GLY A 62 0.983 0.971 62 62
LEU A 63 0.976 0.993 0.992 0.928 63 63
PRO A 64 0.988 0.991 0.904 0.835 64 64
GLN A 65 0.997 0.999 0.601 1.000 0.998 65 65
PRO A 66 0.994 0.995 0.911 0.813 66 66
VAL A 67 0.998 0.997 0.918 67 67
LEU A 68 0.991 0.989 0.865 0.632 68 68
ALA A 69 0.996 0.998 69 69
GLN A 70 0.996 0.996 0.602 0.637 0.884 70 70
ILE A 71 0.999 0.998 1.000 0.919 71 71
TRP A 72 0.998 0.998 0.929 0.425 72 72
ALA A 73 0.999 0.998 73 73
LEU A 74 0.995 0.989 0.927 0.780 74 74
ALA A 75 0.998 0.985 75 75
ASP A 76 0.995 0.984 0.998 0.949 76 76
MET A 77 0.975 0.965 0.716 0.551 0.652 77 77
ASN A 78 0.967 0.986 0.999 0.901 78 78
ASN A 79 0.996 0.987 0.710 0.831 79 79
ASP A 80 0.982 0.978 0.552 0.900 80 80
GLY A 81 0.979 0.975 81 81
ARG A 82 0.953 0.885 0.854 0.575 0.668 0.598 1.000 82
MET A 83 0.867 0.826 0.647 0.711 0.387 83
ASP A 84 0.906 0.992 0.409 0.899 84 84
GLN A 85 0.996 0.991 0.506 0.996 0.992 85 85
VAL A 86 0.991 0.994 0.940 86 86
GLU A 87 0.997 0.997 0.994 0.793 0.794 87 87
PHE A 88 0.998 0.994 0.833 0.910 88 88
SER A 89 0.996 0.981 0.266 89 89
ILE A 90 0.973 0.973 0.368 0.933 90 90
ALA A 91 0.998 0.989 91 91
MET A 92 0.995 0.993 0.605 0.323 0.175 92 92
LYS A 93 0.986 0.994 0.693 0.372 0.712 0.715 93 93
LEU A 94 0.999 0.996 0.935 0.855 94 94
ILE A 95 0.996 0.999 0.999 0.776 95 95
LYS A 96 0.997 0.989 0.591 0.998 0.998 0.927 96 96
LEU A 97 0.993 0.993 0.780 0.707 97 97
LYS A 98 0.990 0.992 0.660 0.335 0.724 0.804 98 98
LEU A 99 0.997 0.991 0.816 0.809 99 99
GLN A 100 0.990 0.975 0.935 0.625 0.898 100 100
GLY A 101 0.976 0.989 101 101
TYR A 102 0.976 0.970 0.862 0.916 102 102
GLN A 103 0.921 0.557 0.525 0.436 0.755
LEU A 104 0.540 0.970 0.616 0.700
PRO A 105 0.991 0.991 0.952 0.916 105 105
SER A 106 0.987 0.995 0.916 106 106
ALA A 107 0.904 0.936 107 107
LEU A 108 0.973 0.976 0.762 0.658 108 108
PRO A 109 0.992 0.991 0.906 0.826 109 109
PRO A 110 0.993 0.992 0.909 0.825 110 110
VAL A 111 0.987 0.966 0.475 111 111
MET A 112 0.970 0.986 0.858 0.730 0.290 112 112
LYS A 113 0.970 0.963 0.209 0.932 0.865 0.999 113 113
GLN A 114 0.900 0.647 0.808 0.601 0.777
GLN A 115 0.534 0.813 0.509 0.649 0.860
PRO A 116 0.987 0.908 0.896 0.821 116 116
VAL A 117 0.929 0.961 0.786 117 117
ALA A 118 0.531 0.487
ILE A 119 0.746 0.486 0.926 0.561
SER A 120 0.806 0.469 0.584
SER A 121 0.761 0.928
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 `HR3646E_R3_em_bcr3.pdb'
>
> Kabsch RMSD of backbone atoms in res. A[26..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 1 is: 1.363
> Kabsch RMSD of backbone atoms in res. A[26..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 2 is: 1.046
> Kabsch RMSD of backbone atoms in res. A[26..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 3 is: 2.284
> Kabsch RMSD of backbone atoms in res. A[26..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 4 is: 1.177
> Kabsch RMSD of backbone atoms in res. A[26..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 5 is: 1.498
> Kabsch RMSD of backbone atoms in res. A[26..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 6 is: 1.489
> Kabsch RMSD of backbone atoms in res. A[26..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 7 is: 1.582
> Kabsch RMSD of backbone atoms in res. A[26..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 8 is: 1.540
> Kabsch RMSD of backbone atoms in res. A[26..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 9 is: 0.873 (*)
> Kabsch RMSD of backbone atoms in res. A[26..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 10 is: 1.698
> Kabsch RMSD of backbone atoms in res. A[26..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 11 is: 1.667
> Kabsch RMSD of backbone atoms in res. A[26..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 12 is: 1.671
> Kabsch RMSD of backbone atoms in res. A[26..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 13 is: 1.462
> Kabsch RMSD of backbone atoms in res. A[26..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 14 is: 1.375
> Kabsch RMSD of backbone atoms in res. A[26..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 15 is: 1.385
> Kabsch RMSD of backbone atoms in res. A[26..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 16 is: 1.600
> Kabsch RMSD of backbone atoms in res. A[26..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 17 is: 1.014
> Kabsch RMSD of backbone atoms in res. A[26..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 18 is: 1.593
> Kabsch RMSD of backbone atoms in res. A[26..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 19 is: 1.723
> Kabsch RMSD of backbone atoms in res. A[26..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 20 is: 1.733
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[26..44],[48..81],[84..102],[105..113],[116..117], is: 1.489
> Range of RMSD values to reference struct. is 0.873 to 2.284
> Kabsch RMSD of heavy atoms in res. A[26..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 1 is: 1.734
> Kabsch RMSD of heavy atoms in res. A[26..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 2 is: 1.324 (*)
> Kabsch RMSD of heavy atoms in res. A[26..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 3 is: 2.551
> Kabsch RMSD of heavy atoms in res. A[26..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 4 is: 1.457
> Kabsch RMSD of heavy atoms in res. A[26..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 5 is: 1.980
> Kabsch RMSD of heavy atoms in res. A[26..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 6 is: 1.733
> Kabsch RMSD of heavy atoms in res. A[26..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 7 is: 1.982
> Kabsch RMSD of heavy atoms in res. A[26..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 8 is: 1.720
> Kabsch RMSD of heavy atoms in res. A[26..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 9 is: 1.380
> Kabsch RMSD of heavy atoms in res. A[26..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 10 is: 2.015
> Kabsch RMSD of heavy atoms in res. A[26..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 11 is: 1.897
> Kabsch RMSD of heavy atoms in res. A[26..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 12 is: 1.863
> Kabsch RMSD of heavy atoms in res. A[26..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 13 is: 1.877
> Kabsch RMSD of heavy atoms in res. A[26..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 14 is: 1.784
> Kabsch RMSD of heavy atoms in res. A[26..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 15 is: 1.752
> Kabsch RMSD of heavy atoms in res. A[26..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 16 is: 1.932
> Kabsch RMSD of heavy atoms in res. A[26..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 17 is: 1.437
> Kabsch RMSD of heavy atoms in res. A[26..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 18 is: 1.981
> Kabsch RMSD of heavy atoms in res. A[26..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 19 is: 1.929
> Kabsch RMSD of heavy atoms in res. A[26..44],A[48..81],A[84..102],A[105..113],A[116..117],for model 20 is: 2.022
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[26..44],[48..81],[84..102],[105..113],[116..117], is: 1.817
> Range of RMSD values to reference struct. is 1.324 to 2.551
Text report of backbone RMSD for entire protein
> Kabsch RMSD of backb atoms in res. *[1..121],for model 1 is: 8.444
> Kabsch RMSD of backb atoms in res. *[1..121],for model 2 is: 7.646
> Kabsch RMSD of backb atoms in res. *[1..121],for model 3 is: 14.324
> Kabsch RMSD of backb atoms in res. *[1..121],for model 4 is: 8.949
> Kabsch RMSD of backb atoms in res. *[1..121],for model 5 is: 4.613 (*)
> Kabsch RMSD of backb atoms in res. *[1..121],for model 6 is: 5.131
> Kabsch RMSD of backb atoms in res. *[1..121],for model 7 is: 5.375
> Kabsch RMSD of backb atoms in res. *[1..121],for model 8 is: 15.132
> Kabsch RMSD of backb atoms in res. *[1..121],for model 9 is: 6.150
> Kabsch RMSD of backb atoms in res. *[1..121],for model 10 is: 5.348
> Kabsch RMSD of backb atoms in res. *[1..121],for model 11 is: 9.644
> Kabsch RMSD of backb atoms in res. *[1..121],for model 12 is: 8.074
> Kabsch RMSD of backb atoms in res. *[1..121],for model 13 is: 6.046
> Kabsch RMSD of backb atoms in res. *[1..121],for model 14 is: 8.637
> Kabsch RMSD of backb atoms in res. *[1..121],for model 15 is: 5.885
> Kabsch RMSD of backb atoms in res. *[1..121],for model 16 is: 5.555
> Kabsch RMSD of backb atoms in res. *[1..121],for model 17 is: 13.611
> Kabsch RMSD of backb atoms in res. *[1..121],for model 18 is: 16.594
> Kabsch RMSD of backb atoms in res. *[1..121],for model 19 is: 5.332
> Kabsch RMSD of backb atoms in res. *[1..121],for model 20 is: 19.784
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..121], is: 9.014
> Range of RMSD values to reference struct. is 4.613 to 19.784
Text report of heavy atom RMSD for entire protein
> Kabsch RMSD of heavy atoms in res. *[1..121],for model 1 is: 8.281
> Kabsch RMSD of heavy atoms in res. *[1..121],for model 2 is: 8.837
> Kabsch RMSD of heavy atoms in res. *[1..121],for model 3 is: 13.148
> Kabsch RMSD of heavy atoms in res. *[1..121],for model 4 is: 8.380
> Kabsch RMSD of heavy atoms in res. *[1..121],for model 5 is: 5.571
> Kabsch RMSD of heavy atoms in res. *[1..121],for model 6 is: 4.862 (*)
> Kabsch RMSD of heavy atoms in res. *[1..121],for model 7 is: 6.471
> Kabsch RMSD of heavy atoms in res. *[1..121],for model 8 is: 13.985
> Kabsch RMSD of heavy atoms in res. *[1..121],for model 9 is: 6.920
> Kabsch RMSD of heavy atoms in res. *[1..121],for model 10 is: 5.877
> Kabsch RMSD of heavy atoms in res. *[1..121],for model 11 is: 10.473
> Kabsch RMSD of heavy atoms in res. *[1..121],for model 12 is: 8.510
> Kabsch RMSD of heavy atoms in res. *[1..121],for model 13 is: 7.068
> Kabsch RMSD of heavy atoms in res. *[1..121],for model 14 is: 9.295
> Kabsch RMSD of heavy atoms in res. *[1..121],for model 15 is: 5.275
> Kabsch RMSD of heavy atoms in res. *[1..121],for model 16 is: 6.049
> Kabsch RMSD of heavy atoms in res. *[1..121],for model 17 is: 14.949
> Kabsch RMSD of heavy atoms in res. *[1..121],for model 18 is: 17.417
> Kabsch RMSD of heavy atoms in res. *[1..121],for model 19 is: 5.721
> Kabsch RMSD of heavy atoms in res. *[1..121],for model 20 is: 19.308
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..121], is: 9.320
> Range of RMSD values to reference struct. is 4.862 to 19.308
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 9.0 1.2 1.2
All heavy atoms 9.3 1.6 1.6
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 >>>----------+
| |
| HR3646E_R3_em_bcr3_020.rin 0.0 1680 residues |
| |
+| Ramachandran plot: 92.2% core 7.8% allow 0.1% gener 0.0% disall |
| |
+| All Ramachandrans: 6 labelled residues (out of1680) |
+| Chi1-chi2 plots: 1 labelled residues (out of1100) |
JPEG image for all model Ramachandran Plot
Residue Properties for all models
JPEG for all model Residue Properties - page $num_n
JPEG for all model Residue Properties - page $num_n
Model Secondary Structures from Procheck
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
Ramachandran Plots for each residue
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
Ramachandran analysis for each residue from Molprobity
Chi1-Chi2 Plots for each residue
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
Procheck G-factors for phi-psi for each residue
JPEG image for residue phi-psi G-factors
Table of Procheck G-factors for phi-psi for ordered residues
#phipsi_gfactor
#Residue\Model average
24 -0.39
25 -0.93
26 -0.46
27 -0.10
28 -0.40
29 0.71
30 0.71
31 0.83
32 0.84
33 0.60
34 0.60
35 0.67
36 1.02
37 0.62
38 -0.11
39 0.77
40 0.75
41 0.60
42 -0.36
43 -2.47
44 0.14
48 -0.03
49 -1.37
50 -0.54
51 0.92
52 0.92
53 0.66
54 0.74
55 0.86
56 1.24
57 1.01
58 0.42
59 0.47
60 0.43
61 0.89
62 0.24
63 -0.24
64 -0.02
65 0.76
66 0.31
67 0.38
68 0.61
69 0.82
70 0.89
71 0.97
72 1.03
73 0.91
74 0.65
75 0.32
76 -0.44
77 0.32
78 0.05
79 -0.38
80 -0.36
81 0.25
82 -2.41
84 -1.16
85 0.80
86 0.24
87 0.62
88 0.74
89 0.81
90 -0.37
91 0.69
92 0.77
93 0.47
94 0.88
95 0.73
96 0.80
97 0.85
98 0.41
99 0.55
100 0.07
101 -1.15
102 -0.44
105 -1.33
106 0.66
107 -1.24
108 -0.48
109 -0.13
110 0.21
111 -0.34
112 -0.94
113 -0.24
#Reported_Model_Average 0.207
#Overall_Average_Reported 0.207
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
24 0.02
25 -0.58
26 -0.46
27 0.23
28 -0.11
29 0.62
30 0.77
31 0.76
32 0.74
33 0.60
34 0.87
35 0.17
36 1.04
37 0.83
38 0.14
39 0.65
40 0.56
41 0.32
42 0.20
43 -0.66
44 0.14
48 -0.03
49 -0.69
50 -0.29
51 0.92
52 0.93
53 0.61
54 0.74
55 0.78
56 1.19
57 0.75
58 -0.18
59 0.22
60 0.68
61 0.58
62 0.24
63 0.28
64 -0.02
65 0.81
66 0.31
67 0.58
68 0.40
69 0.82
70 0.81
71 0.91
72 0.60
73 0.91
74 0.62
75 0.32
76 -0.16
77 0.53
78 0.48
79 0.00
80 0.11
81 0.25
82 -0.92
84 -0.92
85 0.81
86 0.43
87 0.59
88 0.54
89 0.53
90 -0.03
91 0.69
92 0.58
93 0.11
94 0.75
95 0.71
96 0.90
97 0.74
98 0.15
99 0.66
100 0.34
101 -1.15
102 0.03
105 -1.33
106 0.70
107 -1.24
108 0.07
109 -0.13
110 0.21
111 -0.12
112 -0.02
113 0.24
#Reported_Model_Average 0.307
#Overall_Average_Reported 0.307
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
24 0.55 0.55 0.08 0.08 0.55 0.08 0.55 0.08 0.08 0.55 0.08 0.08 0.08 0.08 0.08 0.55 0.08 0.08 0.08 0.55
25 0.96 1.12 1.62 1.62 0.96 0.96 1.12 0.96 1.12 1.62 0.96 1.62 1.62 0.96 0.96 1.12 1.62 0.96 1.62 1.62
26 -0.25 0.49 0.14 0.49 0.49 -0.25 0.49 0.49 -0.25 -0.25 0.49 0.49 -0.25 -0.25 0.49 0.49 0.14 0.14 -0.25 -0.25
27 -0.54 0.81 -0.54 0.81 0.81 0.93 0.81 -0.54 0.81 0.81 0.81 -0.54 -0.54 0.81 -0.54 0.81 0.81 -0.94 0.81 0.81
28 0.08 0.08 0.08 0.08 0.55 0.55 0.55 0.08 0.08 0.08 0.08 0.08 0.08 0.55 0.08 0.08 0.08 0.08 0.55 0.08
29 -1.25 0.30 -1.25 -0.62 -1.25 -0.62 0.30 -1.25 -1.25 -0.62 -0.62 -0.62 -0.62 0.30 -1.25 -0.62 -1.25 -1.25 -1.25 -1.25
30 0.62 0.62 0.60 0.62 0.62 0.60 0.62 0.62 0.62 0.62 0.60 0.62 -0.43 0.62 0.60 0.09 0.62 0.62 0.62 0.62
31 0.09 0.09 0.09 0.09 0.09 0.09 0.09 0.62 0.09 0.09 0.09 -0.43 0.09 -0.58 0.09 0.09 0.62 -0.58 0.09 0.09
32 0.56 0.56 0.56 1.10 1.10 1.10 -0.11 0.56 0.56 1.10 1.10 1.10 1.10 0.56 1.10 1.10 0.56 0.56 0.56 0.56
33 0.44 0.76 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.76 0.44 0.44 0.44 0.44
34 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.56 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66
35 0.82 -0.34 -0.34 0.82 0.82 0.82 0.82 0.82 0.82 0.61 0.82 -0.34 0.82 0.82 0.61 0.82 0.82 0.82 0.82 0.82
36 0.29 -0.28 0.29 0.29 0.44 0.29 0.29 0.29 0.29 0.29 0.29 -0.28 -0.28 0.29 0.29 0.29 0.29 0.29 0.29 0.29
37 0.62 -0.32 0.62 0.29 0.62 0.62 0.29 0.29 0.62 0.29 0.29 0.29 0.29 0.62 0.29 0.29 0.29 0.62 0.62 0.62
38 0.62 0.62 -0.32 0.62 -0.32 0.62 0.62 0.62 0.62 -0.32 0.62 0.62 0.62 0.62 0.62 -0.32 -0.32 0.62 0.62 0.62
39 0.87 0.87 0.87 0.87 0.87 0.87 0.87 0.87 0.87 1.28 0.87 0.87 0.87 0.87 1.28 0.87 0.87 0.87 0.87 0.87
40 0.20 0.54 0.20 0.20 0.20 0.20 0.20 0.20 0.54 0.20 0.20 0.20 0.20 1.04 0.20 0.20 0.20 0.20 0.20 0.20
41 0.34 0.34 0.34 0.34 0.34 0.17 0.34 0.34 0.17 0.34 0.34 0.17 0.34 0.34 0.34 0.17 0.17 0.34 0.34 0.17
42 0.77 0.77 0.77 0.29 1.06 0.77 0.77 0.77 0.77 0.77 0.29 0.77 1.06 0.77 0.77 1.06 0.29 0.77 0.77 1.06
43 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 0.47 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10
44 0.64 -0.11 0.64 0.64 0.44 0.64 0.64 0.64 -0.11 0.64 0.44 0.64 0.44 0.59 0.64 0.64 0.44 0.64 0.64 0.64
48 -0.84 0.71 -0.84 0.71 -0.84 -0.84 0.71 0.71 1.04 0.71 0.71 0.71 1.04 0.71 -0.84 0.71 -0.84 0.71 -0.84 -0.84
49 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
50 0.08 0.55 0.08 0.55 0.08 0.08 0.55 0.55 0.55 0.08 0.08 0.55 0.55 0.55 0.08 0.55 0.55 0.55 0.08 0.08
51 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
52 0.44 0.44 0.29 0.44 0.44 0.29 0.29 0.44 0.44 0.29 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.29 0.44 0.44
53 0.16 0.16 0.62 0.62 0.29 -0.32 -0.32 0.16 0.16 0.62 0.16 0.62 0.16 0.62 0.16 0.62 0.16 0.62 0.62 0.62
54 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
55 0.56 0.56 0.56 0.56 1.10 0.56 1.10 0.56 0.56 0.56 0.56 1.10 1.10 0.56 0.56 0.56 1.10 0.56 0.56 1.10
56 0.32 0.32 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 0.32 -0.02 0.32 0.32 -0.02 0.32 -0.58 -0.02 -0.02 0.32
57 1.28 0.87 0.87 1.28 0.87 1.28 1.28 0.87 1.28 0.87 1.28 1.28 -0.22 1.28 0.87 -0.22 0.87 1.28 0.87 -0.22
58 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28
59 -1.35 -1.81 -0.22 -0.22 -0.22 -1.35 -1.35 -1.81 -0.22 -1.81 -0.22 -1.35 -1.81 -1.35 -1.81 -1.35 -1.35 -1.81 -1.81 -1.35
60 0.29 0.62 0.29 0.29 0.29 0.62 0.29 0.29 0.29 0.29 0.62 0.29 0.29 0.29 0.29 0.29 0.62 0.29 0.62 0.62
61 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59
62 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
63 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 0.77 0.77 1.06 1.06 1.06 1.06 1.06
64 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
65 0.29 0.29 0.29 0.29 0.62 0.29 0.29 0.29 0.62 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29
66 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05
67 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.74 0.30 0.30 0.30 0.30 0.30 0.30 0.30
68 0.71 0.16 1.30 0.71 0.71 1.30 0.71 0.71 1.30 1.30 1.30 0.71 1.30 1.30 0.16 1.30 0.71 1.30 0.71 0.71
69 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
70 0.62 0.62 0.62 0.62 0.16 0.62 0.62 0.62 0.62 0.62 -0.32 0.62 0.62 0.62 0.62 0.29 0.62 0.62 0.62 0.62
71 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11
72 0.86 0.86 0.86 0.86 1.01 1.01 0.86 0.86 0.86 0.86 1.01 0.86 1.01 0.86 0.86 1.01 0.86 0.86 0.86 0.86
73 0.44 0.44 0.44 0.44 0.76 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 -0.02 0.44 -0.02 0.44 0.44 0.44 0.44
74 1.30 0.71 1.30 0.71 1.30 0.71 1.30 0.16 0.71 0.71 0.71 0.16 0.71 0.71 0.71 0.71 0.71 0.71 0.16 0.71
75 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
76 -1.97 0.34 -0.83 0.51 0.34 -0.83 0.34 0.34 -0.83 0.34 0.34 0.34 0.34 -1.97 0.34 -0.83 0.51 0.34 0.34 0.34
77 -0.83 -0.83 0.23 0.23 1.00 0.23 0.23 0.23 0.23 1.00 -0.83 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 1.00
78 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 -0.26 0.51 0.51 0.51 0.51 0.41 0.51 -0.26 0.51 0.51 0.51 0.51
79 0.51 0.41 0.41 0.41 0.51 0.41 0.51 0.41 0.41 0.41 0.41 0.41 0.41 0.51 0.41 0.51 0.41 0.41 0.41 0.41
80 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.34 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.23
81 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
82 0.24 0.24 0.24 0.24 0.24 0.24 0.71 0.24 0.24 0.24 0.24 0.24 0.71 0.24 0.24 0.71 0.24 0.24 0.24 0.24
84 0.51 0.51 0.51 0.34 0.51 0.51 0.34 0.34 0.34 0.34 0.51 0.51 0.51 0.51 0.34 -0.83 0.51 0.34 0.34 0.34
85 0.62 0.62 0.62 0.62 0.62 0.62 0.16 0.62 0.16 0.62 0.62 0.16 0.16 0.62 -0.32 0.16 0.62 0.62 0.62 0.62
86 -1.25 -0.62 -1.25 -0.62 -0.62 -0.29 0.41 0.30 0.30 -0.29 -0.62 -0.62 -0.62 -1.25 0.30 -0.62 -1.25 0.30 -0.62 -1.25
87 0.09 0.09 0.09 0.09 0.09 0.09 -2.15 0.09 0.09 0.09 0.09 0.09 0.09 0.09 -0.58 0.09 0.09 0.09 0.09 0.09
88 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28
89 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
90 0.55 0.55 0.55 1.11 1.11 0.55 0.55 1.11 1.11 1.11 1.11 0.55 1.11 0.55 1.11 0.55 1.11 0.55 1.11 0.55
91 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
92 1.26 1.02 1.26 1.02 1.26 1.02 1.26 1.02 1.02 0.87 1.02 1.02 1.26 1.02 1.26 1.26 1.26 1.02 1.26 1.26
93 -0.94 -0.94 0.56 -0.94 0.56 -0.94 0.56 0.56 0.56 0.56 0.56 0.56 0.56 -0.94 0.56 0.56 0.56 0.56 -0.94 0.56
94 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30
95 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11
96 0.66 0.66 0.56 0.66 0.66 0.66 -0.50 0.66 0.66 0.66 0.66 0.66 0.66 0.56 0.66 -0.50 0.66 0.66 0.66 0.66
97 0.71 1.30 0.71 1.30 0.71 0.16 1.30 1.30 1.30 1.30 1.30 -0.30 1.30 1.30 1.30 1.30 1.30 0.71 1.30 1.30
98 -0.94 0.56 0.56 -0.94 -0.94 0.56 -0.94 -0.94 0.56 -0.94 0.56 0.56 -0.94 0.56 0.66 0.56 0.56 -0.94 0.56 -0.94
99 -0.68 -0.68 -0.68 -0.68 -0.33 -0.68 -0.33 -0.68 -0.68 -0.68 -0.33 -0.68 -0.68 -0.33 -0.33 -0.33 -0.33 -0.68 -0.68 -0.68
100 0.25 0.25 0.25 0.25 -0.03 0.25 -0.03 0.25 0.25 0.25 0.25 -0.03 0.25 0.25 0.25 -0.03 0.25 0.25 0.25 0.25
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 -0.43 1.25 -0.43 1.25 1.25 1.25 -0.43 1.25 1.25 -1.40 1.25 -0.43 -0.43 -0.43 -0.43 -0.43 1.25 1.14 1.25 1.25
105 0.44 0.25 0.44 0.25 0.64 0.25 0.64 0.44 0.64 0.64 0.64 0.25 0.25 0.64 0.44 0.44 0.64 0.44 0.44 0.44
106 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.17 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.17
107 0.49 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.49 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.49
108 1.06 1.06 0.77 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
109 0.59 0.64 0.59 0.64 0.64 -0.07 0.64 0.64 0.64 0.59 0.64 0.64 0.64 0.64 0.59 0.64 0.64 0.64 0.59 0.64
110 -0.41 0.05 -1.56 0.05 -0.41 0.05 0.05 0.05 0.05 -0.41 0.05 -0.25 0.05 -0.25 -0.41 0.05 0.05 0.05 -0.41 -0.25
111 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 -0.62 0.30 0.74 -0.62 0.30 0.30 0.30 -0.62 0.30 -0.62 0.74 -0.62
112 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26
113 -0.50 0.66 0.66 0.66 -0.94 0.66 0.56 -0.50 0.66 0.56 0.56 0.66 0.66 0.56 0.66 -0.94 0.66 0.66 -0.94 0.56
#Reported_Model_Average 0.377 0.483 0.426 0.528 0.518 0.470 0.495 0.485 0.521 0.498 0.549 0.445 0.481 0.490 0.454 0.430 0.507 0.475 0.474 0.483
#Overall_Average_Reported 0.479
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
24 0.55 0.55 0.08 0.08 0.55 0.08 0.55 0.08 0.08 0.55 0.08 0.08 0.08 0.08 0.08 0.55 0.08 0.08 0.08 0.55
25 0.96 1.12 1.62 1.62 0.96 0.96 1.12 0.96 1.12 1.62 0.96 1.62 1.62 0.96 0.96 1.12 1.62 0.96 1.62 1.62
26 -0.25 0.49 0.14 0.49 0.49 -0.25 0.49 0.49 -0.25 -0.25 0.49 0.49 -0.25 -0.25 0.49 0.49 0.14 0.14 -0.25 -0.25
27 -0.54 0.81 -0.54 0.81 0.81 0.93 0.81 -0.54 0.81 0.81 0.81 -0.54 -0.54 0.81 -0.54 0.81 0.81 -0.94 0.81 0.81
28 0.08 0.08 0.08 0.08 0.55 0.55 0.55 0.08 0.08 0.08 0.08 0.08 0.08 0.55 0.08 0.08 0.08 0.08 0.55 0.08
29 -1.25 0.30 -1.25 -0.62 -1.25 -0.62 0.30 -1.25 -1.25 -0.62 -0.62 -0.62 -0.62 0.30 -1.25 -0.62 -1.25 -1.25 -1.25 -1.25
30 0.62 0.62 0.60 0.62 0.62 0.60 0.62 0.62 0.62 0.62 0.60 0.62 -0.43 0.62 0.60 0.09 0.62 0.62 0.62 0.62
31 0.09 0.09 0.09 0.09 0.09 0.09 0.09 0.62 0.09 0.09 0.09 -0.43 0.09 -0.58 0.09 0.09 0.62 -0.58 0.09 0.09
32 0.56 0.56 0.56 1.10 1.10 1.10 -0.11 0.56 0.56 1.10 1.10 1.10 1.10 0.56 1.10 1.10 0.56 0.56 0.56 0.56
33 0.44 0.76 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.76 0.44 0.44 0.44 0.44
34 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.56 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66
35 0.82 -0.34 -0.34 0.82 0.82 0.82 0.82 0.82 0.82 0.61 0.82 -0.34 0.82 0.82 0.61 0.82 0.82 0.82 0.82 0.82
36 0.29 -0.28 0.29 0.29 0.44 0.29 0.29 0.29 0.29 0.29 0.29 -0.28 -0.28 0.29 0.29 0.29 0.29 0.29 0.29 0.29
37 0.62 -0.32 0.62 0.29 0.62 0.62 0.29 0.29 0.62 0.29 0.29 0.29 0.29 0.62 0.29 0.29 0.29 0.62 0.62 0.62
38 0.62 0.62 -0.32 0.62 -0.32 0.62 0.62 0.62 0.62 -0.32 0.62 0.62 0.62 0.62 0.62 -0.32 -0.32 0.62 0.62 0.62
39 0.87 0.87 0.87 0.87 0.87 0.87 0.87 0.87 0.87 1.28 0.87 0.87 0.87 0.87 1.28 0.87 0.87 0.87 0.87 0.87
40 0.20 0.54 0.20 0.20 0.20 0.20 0.20 0.20 0.54 0.20 0.20 0.20 0.20 1.04 0.20 0.20 0.20 0.20 0.20 0.20
41 0.34 0.34 0.34 0.34 0.34 0.17 0.34 0.34 0.17 0.34 0.34 0.17 0.34 0.34 0.34 0.17 0.17 0.34 0.34 0.17
42 0.77 0.77 0.77 0.29 1.06 0.77 0.77 0.77 0.77 0.77 0.29 0.77 1.06 0.77 0.77 1.06 0.29 0.77 0.77 1.06
43 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 0.47 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10
44 0.64 -0.11 0.64 0.64 0.44 0.64 0.64 0.64 -0.11 0.64 0.44 0.64 0.44 0.59 0.64 0.64 0.44 0.64 0.64 0.64
48 -0.84 0.71 -0.84 0.71 -0.84 -0.84 0.71 0.71 1.04 0.71 0.71 0.71 1.04 0.71 -0.84 0.71 -0.84 0.71 -0.84 -0.84
49 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
50 0.08 0.55 0.08 0.55 0.08 0.08 0.55 0.55 0.55 0.08 0.08 0.55 0.55 0.55 0.08 0.55 0.55 0.55 0.08 0.08
51 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
52 0.44 0.44 0.29 0.44 0.44 0.29 0.29 0.44 0.44 0.29 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.29 0.44 0.44
53 0.16 0.16 0.62 0.62 0.29 -0.32 -0.32 0.16 0.16 0.62 0.16 0.62 0.16 0.62 0.16 0.62 0.16 0.62 0.62 0.62
54 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
55 0.56 0.56 0.56 0.56 1.10 0.56 1.10 0.56 0.56 0.56 0.56 1.10 1.10 0.56 0.56 0.56 1.10 0.56 0.56 1.10
56 0.32 0.32 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 0.32 -0.02 0.32 0.32 -0.02 0.32 -0.58 -0.02 -0.02 0.32
57 1.28 0.87 0.87 1.28 0.87 1.28 1.28 0.87 1.28 0.87 1.28 1.28 -0.22 1.28 0.87 -0.22 0.87 1.28 0.87 -0.22
58 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28
59 -1.35 -1.81 -0.22 -0.22 -0.22 -1.35 -1.35 -1.81 -0.22 -1.81 -0.22 -1.35 -1.81 -1.35 -1.81 -1.35 -1.35 -1.81 -1.81 -1.35
60 0.29 0.62 0.29 0.29 0.29 0.62 0.29 0.29 0.29 0.29 0.62 0.29 0.29 0.29 0.29 0.29 0.62 0.29 0.62 0.62
61 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59
62 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
63 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 0.77 0.77 1.06 1.06 1.06 1.06 1.06
64 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
65 0.29 0.29 0.29 0.29 0.62 0.29 0.29 0.29 0.62 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29
66 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05 0.05
67 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.74 0.30 0.30 0.30 0.30 0.30 0.30 0.30
68 0.71 0.16 1.30 0.71 0.71 1.30 0.71 0.71 1.30 1.30 1.30 0.71 1.30 1.30 0.16 1.30 0.71 1.30 0.71 0.71
69 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
70 0.62 0.62 0.62 0.62 0.16 0.62 0.62 0.62 0.62 0.62 -0.32 0.62 0.62 0.62 0.62 0.29 0.62 0.62 0.62 0.62
71 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11
72 0.86 0.86 0.86 0.86 1.01 1.01 0.86 0.86 0.86 0.86 1.01 0.86 1.01 0.86 0.86 1.01 0.86 0.86 0.86 0.86
73 0.44 0.44 0.44 0.44 0.76 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 -0.02 0.44 -0.02 0.44 0.44 0.44 0.44
74 1.30 0.71 1.30 0.71 1.30 0.71 1.30 0.16 0.71 0.71 0.71 0.16 0.71 0.71 0.71 0.71 0.71 0.71 0.16 0.71
75 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
76 -1.97 0.34 -0.83 0.51 0.34 -0.83 0.34 0.34 -0.83 0.34 0.34 0.34 0.34 -1.97 0.34 -0.83 0.51 0.34 0.34 0.34
77 -0.83 -0.83 0.23 0.23 1.00 0.23 0.23 0.23 0.23 1.00 -0.83 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 1.00
78 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 -0.26 0.51 0.51 0.51 0.51 0.41 0.51 -0.26 0.51 0.51 0.51 0.51
79 0.51 0.41 0.41 0.41 0.51 0.41 0.51 0.41 0.41 0.41 0.41 0.41 0.41 0.51 0.41 0.51 0.41 0.41 0.41 0.41
80 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.34 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.23
81 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
82 0.24 0.24 0.24 0.24 0.24 0.24 0.71 0.24 0.24 0.24 0.24 0.24 0.71 0.24 0.24 0.71 0.24 0.24 0.24 0.24
84 0.51 0.51 0.51 0.34 0.51 0.51 0.34 0.34 0.34 0.34 0.51 0.51 0.51 0.51 0.34 -0.83 0.51 0.34 0.34 0.34
85 0.62 0.62 0.62 0.62 0.62 0.62 0.16 0.62 0.16 0.62 0.62 0.16 0.16 0.62 -0.32 0.16 0.62 0.62 0.62 0.62
86 -1.25 -0.62 -1.25 -0.62 -0.62 -0.29 0.41 0.30 0.30 -0.29 -0.62 -0.62 -0.62 -1.25 0.30 -0.62 -1.25 0.30 -0.62 -1.25
87 0.09 0.09 0.09 0.09 0.09 0.09 -2.15 0.09 0.09 0.09 0.09 0.09 0.09 0.09 -0.58 0.09 0.09 0.09 0.09 0.09
88 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28
89 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
90 0.55 0.55 0.55 1.11 1.11 0.55 0.55 1.11 1.11 1.11 1.11 0.55 1.11 0.55 1.11 0.55 1.11 0.55 1.11 0.55
91 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
92 1.26 1.02 1.26 1.02 1.26 1.02 1.26 1.02 1.02 0.87 1.02 1.02 1.26 1.02 1.26 1.26 1.26 1.02 1.26 1.26
93 -0.94 -0.94 0.56 -0.94 0.56 -0.94 0.56 0.56 0.56 0.56 0.56 0.56 0.56 -0.94 0.56 0.56 0.56 0.56 -0.94 0.56
94 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30
95 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11
96 0.66 0.66 0.56 0.66 0.66 0.66 -0.50 0.66 0.66 0.66 0.66 0.66 0.66 0.56 0.66 -0.50 0.66 0.66 0.66 0.66
97 0.71 1.30 0.71 1.30 0.71 0.16 1.30 1.30 1.30 1.30 1.30 -0.30 1.30 1.30 1.30 1.30 1.30 0.71 1.30 1.30
98 -0.94 0.56 0.56 -0.94 -0.94 0.56 -0.94 -0.94 0.56 -0.94 0.56 0.56 -0.94 0.56 0.66 0.56 0.56 -0.94 0.56 -0.94
99 -0.68 -0.68 -0.68 -0.68 -0.33 -0.68 -0.33 -0.68 -0.68 -0.68 -0.33 -0.68 -0.68 -0.33 -0.33 -0.33 -0.33 -0.68 -0.68 -0.68
100 0.25 0.25 0.25 0.25 -0.03 0.25 -0.03 0.25 0.25 0.25 0.25 -0.03 0.25 0.25 0.25 -0.03 0.25 0.25 0.25 0.25
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 -0.43 1.25 -0.43 1.25 1.25 1.25 -0.43 1.25 1.25 -1.40 1.25 -0.43 -0.43 -0.43 -0.43 -0.43 1.25 1.14 1.25 1.25
105 0.44 0.25 0.44 0.25 0.64 0.25 0.64 0.44 0.64 0.64 0.64 0.25 0.25 0.64 0.44 0.44 0.64 0.44 0.44 0.44
106 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.17 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.17
107 0.49 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.49 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.49
108 1.06 1.06 0.77 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
109 0.59 0.64 0.59 0.64 0.64 -0.07 0.64 0.64 0.64 0.59 0.64 0.64 0.64 0.64 0.59 0.64 0.64 0.64 0.59 0.64
110 -0.41 0.05 -1.56 0.05 -0.41 0.05 0.05 0.05 0.05 -0.41 0.05 -0.25 0.05 -0.25 -0.41 0.05 0.05 0.05 -0.41 -0.25
111 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 -0.62 0.30 0.74 -0.62 0.30 0.30 0.30 -0.62 0.30 -0.62 0.74 -0.62
112 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26 1.26
113 -0.50 0.66 0.66 0.66 -0.94 0.66 0.56 -0.50 0.66 0.56 0.56 0.66 0.66 0.56 0.66 -0.94 0.66 0.66 -0.94 0.56
#Reported_Model_Average 0.377 0.483 0.426 0.528 0.518 0.470 0.495 0.485 0.521 0.498 0.549 0.445 0.481 0.490 0.454 0.430 0.507 0.475 0.474 0.483
#Overall_Average_Reported 0.479
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
24.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
25.000 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0
26.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
27.000 0 1 0 0 1 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0
28.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
29.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
30.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
31.000 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0
32.000 1 1 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0
33.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
34.000 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0
35.000 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0
36.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
37.000 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0
38.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
39.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
40.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
41.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
42.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0
43.000 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0
44.000 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0
48.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
49.000 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 3 0 0 0 0
50.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
51.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
52.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
53.000 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0
54.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
55.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
56.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
57.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
58.000 0 2 1 0 0 0 0 0 1 2 1 0 0 0 1 0 0 0 0 1
59.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
60.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
61.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
62.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
63.000 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0
64.000 0 1 1 1 0 1 0 1 1 1 1 0 0 0 0 0 0 0 1 1
65.000 1 2 1 1 1 1 1 1 2 2 1 2 1 1 1 1 1 1 1 1
66.000 1 3 2 2 1 2 1 2 3 3 2 2 1 1 1 1 1 1 2 2
67.000 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0
68.000 1 1 7 0 0 6 0 0 2 2 1 0 0 0 1 0 0 0 0 1
69.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
70.000 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0
71.000 0 0 0 0 0 0 1 0 1 0 0 0 0 0 1 0 0 0 0 1
72.000 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0
73.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
74.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
75.000 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
76.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
77.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
78.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
79.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
80.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
81.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
82.000 0 2 0 1 0 0 1 0 2 1 0 2 0 0 0 1 1 1 1 0
84.000 2 0 0 0 0 0 0 2 0 0 2 0 0 0 0 0 0 2 2 0
85.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
86.000 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0
87.000 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
88.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
89.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
90.000 0 0 1 0 0 0 0 1 0 0 0 1 0 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 1 0 1 0 0 0 2 1 0 0 1 0 0 0 0 0 0 0 0
93.000 2 0 0 4 0 0 0 2 0 1 0 0 2 0 0 0 0 0 0 0
94.000 0 0 0 0 2 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0
95.000 0 2 0 1 0 0 0 2 1 0 0 1 0 0 0 0 0 0 0 1
96.000 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0
97.000 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
98.000 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0
99.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
100.000 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 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
105.000 0 0 0 0 0 0 2 0 0 0 0 0 0 0 1 0 0 0 0 0
106.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
107.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
108.000 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 1 0 2
109.000 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 1 0
110.000 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0
111.000 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0
112.000 2 0 0 0 0 0 1 0 0 0 0 1 0 1 0 1 0 1 1 0
113.000 0 0 0 0 0 0 0 1 0 1 0 2 1 1 0 1 0 0 0 1
#Reported_Model_Average 0.167 0.238 0.167 0.131 0.107 0.119 0.155 0.226 0.214 0.179 0.202 0.167 0.119 0.071 0.083 0.119 0.036 0.083 0.131 0.131
#Overall_Average_Reported 0.142
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1885:A 25 TRP 2HB :A 112 MET SD : -0.446: 0
: 1885:A 112 MET 1HB :A 108 LEU HG : -0.441: 0
: 1885:A 68 LEU 1HD2 :A 63 LEU 1HB : -0.436: 0
: 1885:A 65 GLN N :A 66 PRO 1HD : -0.430: 0
: 1885:A 104 LEU N :A 104 LEU 3HD2 : -0.417: 0
: 1885:A 93 LYS 1HD :A 93 LYS HA : -0.414: 0
: 1885:A 84 ASP OD1 :A 84 ASP C : -0.407: 0
: 1885:A 32 ARG O :A 35 HIS 2HB : -0.403: 0
#sum2 ::4.24 clashscore : 4.24 clashscore B<40
#summary::1885 atoms:1885 atoms B<40:211851 potential dots:13240.0 A^2:8 bumps:8 bumps B<40:745.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1885:A 58 PHE 2HB :A 68 LEU 2HD2 : -0.473: 0
: 1885:A 95 ILE 1HD1 :A 58 PHE CD1 : -0.432: 0
: 1885:A 95 ILE 2HD1 :A 92 MET HA : -0.401: 0
: 1885:A 83 MET CB :A 82 ARG O : -0.456: 0
: 1885:A 82 ARG O :A 83 MET 2HB : -0.410: 0
: 1885:A 25 TRP HA :A 97 LEU 1HD2 : -0.448: 0
: 1885:A 32 ARG 2HG :A 27 ILE 2HG2 : -0.443: 0
: 1885:A 66 PRO 1HD :A 64 PRO 1HB : -0.408: 0
: 1885:A 66 PRO 2HD :A 65 GLN 1HB : -0.406: 0
: 1885:A 65 GLN N :A 66 PRO CD : -0.400: 0
: 1885:A 96 LYS O :A 100 GLN 1HG : -0.404: 0
: 1885:A 45 ILE 1HG1 :A 4 HIS HA : -0.403: 0
#sum2 ::6.37 clashscore : 6.37 clashscore B<40
#summary::1885 atoms:1885 atoms B<40:211892 potential dots:13240.0 A^2:12 bumps:12 bumps B<40:761 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1885:A 68 LEU 3HD2 :A 68 LEU C : -0.676: 0
: 1885:A 68 LEU CD2 :A 68 LEU C : -0.453: 0
: 1885:A 68 LEU HG :A 58 PHE CD1 : -0.439: 0
: 1885:A 68 LEU 3HD2 :A 68 LEU O : -0.432: 0
: 1885:A 65 GLN N :A 66 PRO 1HD : -0.488: 0
: 1885:A 66 PRO 1HD :A 64 PRO 1HB : -0.410: 0
: 1885:A 87 GLU HA :A 90 ILE 1HG1 : -0.453: 0
#sum2 ::3.71 clashscore : 3.71 clashscore B<40
#summary::1885 atoms:1885 atoms B<40:211854 potential dots:13240.0 A^2:7 bumps:7 bumps B<40:709.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1885:A 16 THR N :A 17 PRO CD : -0.521: 0
: 1885:A 16 THR HB :A 17 PRO 2HD : -0.411: 0
: 1885:A 93 LYS HA :A 93 LYS 2HE : -0.480: 0
: 1885:A 93 LYS HA :A 93 LYS CE : -0.466: 0
: 1885:A 65 GLN 2HB :A 66 PRO 2HD : -0.453: 0
: 1885:A 66 PRO 1HD :A 64 PRO 1HB : -0.404: 0
: 1885:A 95 ILE 2HD1 :A 92 MET HA : -0.441: 0
: 1885:A 15 PRO 2HD :A 14 PHE N : -0.427: 0
: 1885:A 82 ARG O :A 83 MET 2HB : -0.425: 0
#sum2 ::4.77 clashscore : 4.77 clashscore B<40
#summary::1885 atoms:1885 atoms B<40:211812 potential dots:13240.0 A^2:9 bumps:9 bumps B<40:726.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1885:A 75 ALA 3HB :A 83 MET 2HE : -0.567: 0
: 1885:A 94 LEU 1HD1 :A 108 LEU 1HD1 : -0.449: 0
: 1885:A 75 ALA 2HB :A 94 LEU 2HD1 : -0.408: 0
: 1885:A 65 GLN N :A 66 PRO 1HD : -0.425: 0
: 1885:A 32 ARG 2HG :A 27 ILE 2HG2 : -0.407: 0
#sum2 ::2.65 clashscore : 2.65 clashscore B<40
#summary::1885 atoms:1885 atoms B<40:211939 potential dots:13250.0 A^2:5 bumps:5 bumps B<40:791.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1885:A 68 LEU 3HD2 :A 68 LEU C : -0.654: 0
: 1885:A 68 LEU CD2 :A 68 LEU C : -0.458: 0
: 1885:A 68 LEU 3HD2 :A 68 LEU O : -0.445: 0
: 1885:A 66 PRO 2HD :A 65 GLN 1HB : -0.454: 0
: 1885:A 66 PRO 1HD :A 64 PRO 1HB : -0.425: 0
: 1885:A 16 THR HB :A 17 PRO 2HD : -0.449: 0
#sum2 ::3.18 clashscore : 3.18 clashscore B<40
#summary::1885 atoms:1885 atoms B<40:211894 potential dots:13240.0 A^2:6 bumps:6 bumps B<40:737.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1885:A 105 PRO 1HD :A 104 LEU 2HB : -0.577: 0
: 1885:A 105 PRO CD :A 104 LEU 2HB : -0.442: 0
: 1885:A 53 GLN 1HB :A 49 ILE HB : -0.458: 0
: 1885:A 96 LYS O :A 100 GLN 1HG : -0.449: 0
: 1885:A 108 LEU 2HB :A 112 MET 1HB : -0.448: 0
: 1885:A 65 GLN N :A 66 PRO 1HD : -0.433: 0
: 1885:A 71 ILE 3HG2 :A 94 LEU 1HB : -0.426: 0
: 1885:A 82 ARG O :A 83 MET 1HB : -0.409: 0
#sum2 ::4.24 clashscore : 4.24 clashscore B<40
#summary::1885 atoms:1885 atoms B<40:211793 potential dots:13240.0 A^2:8 bumps:8 bumps B<40:863.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1885:A 84 ASP OD1 :A 84 ASP C : -0.495: 0
: 1885:A 92 MET SD :A 35 HIS HA : -0.491: 0
: 1885:A 95 ILE 2HD1 :A 92 MET HA : -0.441: 0
: 1885:A 95 ILE 3HG2 :A 63 LEU 1HD1 : -0.426: 0
: 1885:A 65 GLN 2HB :A 66 PRO 2HD : -0.485: 0
: 1885:A 66 PRO 1HD :A 64 PRO 1HB : -0.404: 0
: 1885:A 90 ILE 1HD1 :A 113 LYS HA : -0.429: 0
: 1885:A 91 ALA 2HB :A 83 MET SD : -0.415: 0
: 1885:A 44 PRO 2HD :A 43 LYS N : -0.414: 0
: 1885:A 46 SER 1HB :A 45 ILE O : -0.413: 0
: 1885:A 93 LYS HA :A 93 LYS 2HE : -0.409: 0
#sum2 ::5.84 clashscore : 5.84 clashscore B<40
#summary::1885 atoms:1885 atoms B<40:211996 potential dots:13250.0 A^2:11 bumps:11 bumps B<40:745.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1885:A 37 GLN 2HG :A 13 GLN HA : -0.553: 0
: 1885:A 68 LEU 1HD2 :A 63 LEU 1HB : -0.510: 0
: 1885:A 58 PHE 2HB :A 68 LEU 2HD2 : -0.452: 0
: 1885:A 92 MET SD :A 35 HIS HA : -0.497: 0
: 1885:A 86 VAL 1HG2 :A 117 VAL 1HG1 : -0.475: 0
: 1885:A 66 PRO 1HD :A 64 PRO 1HB : -0.457: 0
: 1885:A 65 GLN 2HB :A 66 PRO 2HD : -0.448: 0
: 1885:A 65 GLN N :A 66 PRO CD : -0.409: 0
: 1885:A 83 MET CB :A 82 ARG O : -0.452: 0
: 1885:A 82 ARG O :A 83 MET 2HB : -0.420: 0
: 1885:A 118 ALA O :A 119 ILE HB : -0.407: 0
: 1885:A 71 ILE 3HD1 :A 95 ILE 3HD1 : -0.405: 0
#sum2 ::6.37 clashscore : 6.37 clashscore B<40
#summary::1885 atoms:1885 atoms B<40:211727 potential dots:13230.0 A^2:12 bumps:12 bumps B<40:755.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1885:A 110 PRO HA :A 113 LYS 1HG : -0.495: 0
: 1885:A 116 PRO 2HB :A 10 HIS 1HB : -0.440: 0
: 1885:A 66 PRO 1HD :A 64 PRO 1HB : -0.424: 0
: 1885:A 65 GLN N :A 66 PRO CD : -0.417: 0
: 1885:A 66 PRO 2HD :A 65 GLN 1HB : -0.407: 0
: 1885:A 12 ALA HA :A 117 VAL HB : -0.418: 0
: 1885:A 68 LEU HA :A 68 LEU 2HD1 : -0.413: 0
: 1885:A 93 LYS 2HG :A 27 ILE 2HG1 : -0.411: 0
: 1885:A 58 PHE N :A 58 PHE CD1 : -0.407: 0
: 1885:A 82 ARG O :A 83 MET C : -0.405: 0
#sum2 ::5.31 clashscore : 5.31 clashscore B<40
#summary::1885 atoms:1885 atoms B<40:211769 potential dots:13240.0 A^2:10 bumps:10 bumps B<40:782.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1885:A 72 TRP O :A 72 TRP HD1 : -0.543: 0
: 1885:A 72 TRP C :A 72 TRP CD1 : -0.402: 0
: 1885:A 84 ASP OD1 :A 84 ASP C : -0.486: 0
: 1885:A 66 PRO 1HD :A 64 PRO 1HB : -0.468: 0
: 1885:A 65 GLN N :A 66 PRO CD : -0.424: 0
: 1885:A 98 LYS 1HE :A 67 VAL HB : -0.459: 0
: 1885:A 115 GLN 2HB :A 116 PRO 2HD : -0.432: 0
: 1885:A 11 MET SD :A 70 GLN 2HG : -0.422: 0
: 1885:A 68 LEU 3HD1 :A 58 PHE 2HB : -0.421: 0
: 1885:A 111 VAL 2HG2 :A 109 PRO 1HB : -0.416: 0
#sum2 ::5.31 clashscore : 5.31 clashscore B<40
#summary::1885 atoms:1885 atoms B<40:211903 potential dots:13240.0 A^2:10 bumps:10 bumps B<40:713.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1885:A 113 LYS O :A 114 GLN CB : -0.483: 0
: 1885:A 113 LYS O :A 114 GLN 1HB : -0.470: 0
: 1885:A 32 ARG 2HG :A 27 ILE 2HG2 : -0.469: 0
: 1885:A 66 PRO 2HD :A 65 GLN 1HB : -0.462: 0
: 1885:A 65 GLN N :A 66 PRO CD : -0.402: 0
: 1885:A 95 ILE 2HD1 :A 92 MET HA : -0.438: 0
: 1885:A 112 MET SD :A 90 ILE HB : -0.412: 0
: 1885:A 82 ARG O :A 83 MET CB : -0.409: 0
: 1885:A 82 ARG O :A 83 MET 2HB : -0.405: 0
: 1885:A 45 ILE O :A 46 SER 2HB : -0.407: 0
#sum2 ::5.31 clashscore : 5.31 clashscore B<40
#summary::1885 atoms:1885 atoms B<40:211737 potential dots:13230.0 A^2:10 bumps:10 bumps B<40:711 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1885:A 110 PRO HA :A 113 LYS 2HB : -0.454: 0
: 1885:A 65 GLN 2HB :A 66 PRO 2HD : -0.445: 0
: 1885:A 32 ARG 2HG :A 27 ILE 2HG2 : -0.428: 0
: 1885:A 93 LYS HA :A 93 LYS 1HD : -0.413: 0
: 1885:A 34 LYS 1HB :A 31 GLU HA : -0.406: 0
#sum2 ::2.65 clashscore : 2.65 clashscore B<40
#summary::1885 atoms:1885 atoms B<40:211739 potential dots:13230.0 A^2:5 bumps:5 bumps B<40:777.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1885:A 110 PRO HA :A 113 LYS 1HG : -0.484: 0
: 1885:A 3 HIS O :A 4 HIS 1HB : -0.437: 0
: 1885:A 65 GLN N :A 66 PRO 1HD : -0.417: 0
: 1885:A 25 TRP O :A 112 MET SD : -0.410: 0
#sum2 ::2.12 clashscore : 2.12 clashscore B<40
#summary::1885 atoms:1885 atoms B<40:211573 potential dots:13220.0 A^2:4 bumps:4 bumps B<40:740.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1885:A 65 GLN N :A 66 PRO 1HD : -0.478: 0
: 1885:A 58 PHE 2HB :A 68 LEU 2HD2 : -0.470: 0
: 1885:A 105 PRO 1HD :A 104 LEU 2HD1 : -0.446: 0
: 1885:A 94 LEU 3HD1 :A 71 ILE HA : -0.420: 0
#sum2 ::2.12 clashscore : 2.12 clashscore B<40
#summary::1885 atoms:1885 atoms B<40:211818 potential dots:13240.0 A^2:4 bumps:4 bumps B<40:725.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1885:A 3 HIS 1HB :A 2 GLY O : -0.487: 0
: 1885:A 42 LEU 1HB :A 49 ILE 1HG2 : -0.486: 0
: 1885:A 49 ILE 2HD1 :A 49 ILE C : -0.422: 0
: 1885:A 65 GLN N :A 66 PRO 1HD : -0.484: 0
: 1885:A 82 ARG O :A 83 MET 2HB : -0.432: 0
: 1885:A 109 PRO 1HD :A 112 MET SD : -0.427: 0
: 1885:A 113 LYS 2HD :A 116 PRO HA : -0.423: 0
#sum2 ::3.71 clashscore : 3.71 clashscore B<40
#summary::1885 atoms:1885 atoms B<40:211646 potential dots:13230.0 A^2:7 bumps:7 bumps B<40:764.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1885:A 65 GLN N :A 66 PRO 1HD : -0.441: 0
: 1885:A 82 ARG O :A 83 MET 2HB : -0.409: 0
: 1885:A 22 LEU 1HB :A 21 SER O : -0.400: 0
#sum2 ::1.59 clashscore : 1.59 clashscore B<40
#summary::1885 atoms:1885 atoms B<40:211877 potential dots:13240.0 A^2:3 bumps:3 bumps B<40:761.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1885:A 84 ASP OD1 :A 84 ASP C : -0.465: 0
: 1885:A 108 LEU 3HD1 :A 112 MET 2HE : -0.447: 0
: 1885:A 65 GLN N :A 66 PRO 1HD : -0.431: 0
: 1885:A 83 MET 2HB :A 82 ARG O : -0.401: 0
#sum2 ::2.12 clashscore : 2.12 clashscore B<40
#summary::1885 atoms:1885 atoms B<40:212018 potential dots:13250.0 A^2:4 bumps:4 bumps B<40:722.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1885:A 65 GLN 2HB :A 66 PRO 2HD : -0.481: 0
: 1885:A 66 PRO 1HD :A 64 PRO 1HB : -0.412: 0
: 1885:A 109 PRO 1HD :A 112 MET SD : -0.474: 0
: 1885:A 82 ARG O :A 83 MET 2HB : -0.450: 0
: 1885:A 18 PHE C :A 18 PHE CD1 : -0.444: 0
: 1885:A 15 PRO 1HD :A 14 PHE 1HB : -0.427: 0
: 1885:A 96 LYS O :A 100 GLN 1HG : -0.421: 0
: 1885:A 84 ASP OD1 :A 84 ASP C : -0.420: 0
#sum2 ::4.24 clashscore : 4.24 clashscore B<40
#summary::1885 atoms:1885 atoms B<40:211847 potential dots:13240.0 A^2:8 bumps:8 bumps B<40:752.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1885:A 114 GLN 2HB :A 113 LYS O : -0.444: 0
: 1885:A 22 LEU C :A 22 LEU 2HD1 : -0.415: 0
: 1885:A 71 ILE 3HD1 :A 95 ILE 1HG1 : -0.414: 0
: 1885:A 68 LEU 2HD2 :A 58 PHE CB : -0.410: 0
: 1885:A 108 LEU 3HD1 :A 108 LEU HA : -0.406: 0
: 1885:A 66 PRO 1HD :A 64 PRO 1HB : -0.402: 0
: 1885:A 65 GLN N :A 66 PRO CD : -0.400: 0
#sum2 ::3.71 clashscore : 3.71 clashscore B<40
#summary::1885 atoms:1885 atoms B<40:211775 potential dots:13240.0 A^2:7 bumps:7 bumps B<40:730.1 score
Output from PDB validation software
Summary from PDB validation
May. 10, 06:17:36 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 0.008 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
------------------------------------------------------------------------
0.053 PRO A 17 6 CD - N 1.526 1.473
0.056 PRO A 105 7 CD - N 1.529 1.473
0.048 PRO A 116 9 CD - N 1.521 1.473
0.058 PRO A 116 11 CD - N 1.531 1.473
0.052 PRO A 17 14 CD - N 1.525 1.473
*** Covalent Angle Values:
The RMS deviation for covalent angles relative to the standard
dictionary is 0.6 degrees.
All covalent bond angles lie within a 6.0*RMSD range about the
standard dictionary values.
TORSION ANGLES
The torsion angle distributions have been checked. The postscript file of the
conformation rings showing the torsion angle distributions will be sent in a
separate E-mail message.
CHIRALITY
The chirality has been checked. O1P, O2P, and hydrogen atoms which do not
follow the convention defined in the IUBMB (Liebecq, C. Compendium of
Biochemical Nomenclature and Related Documents, 2nd ed.; Portland Press:
London and Chapel Hill, 1992) and IUPAC nomenclature (J.L. Markley, A. Bax,
Y. Arata, C.W. Hilbers, R. Kaptein, B.D. Sykes, P.E. Wright and K. Wüthrich,
Recommendations for the Presentation of NMR Structures of Proteins and
Nucleic Acids, Pure & Appl. Chem., Vol. 70, pp. 117-142, 1998) have been
standardized. Any other stereochemical violations are listed below.
E/Z NOMENCLATURE
E/Z nomenclature of hydrogens and/or nitrogens on Arg, Asn or Gln residues needs
to be corrected to conform with the standard for E/Z orientation presented in
[J.L. Markley, et al., Recommendations for the Presentation of NMR Structures of
Proteins and Nucleic Acids, Pure & Appl. Chem., 1998, 70, 117-142].
Model Chain Residue Residue Atom Name Original
Name Number Atom Name
----- ----- ------- ------- -------- ---------
1 A GLN 13 1HE2
1 A GLN 13 2HE2
1 A GLN 37 1HE2
1 A GLN 37 2HE2
1 A GLN 38 1HE2
1 A GLN 38 2HE2
1 A GLN 53 1HE2
1 A GLN 53 2HE2
1 A ASN 56 1HD2
1 A ASN 56 2HD2
1 A GLN 60 1HE2
1 A GLN 60 2HE2
1 A GLN 65 1HE2
1 A GLN 65 2HE2
1 A GLN 70 1HE2
1 A GLN 70 2HE2
1 A ASN 78 1HD2
1 A ASN 78 2HD2
1 A ASN 79 1HD2
1 A ASN 79 2HD2
1 A GLN 85 1HE2
1 A GLN 85 2HE2
1 A GLN 100 1HE2
1 A GLN 100 2HE2
1 A GLN 103 1HE2
1 A GLN 103 2HE2
1 A GLN 114 1HE2
1 A GLN 114 2HE2
1 A GLN 115 1HE2
1 A GLN 115 2HE2
2 A GLN 13 1HE2
2 A GLN 13 2HE2
2 A GLN 37 1HE2
2 A GLN 37 2HE2
2 A GLN 38 1HE2
2 A GLN 38 2HE2
2 A GLN 53 1HE2
2 A GLN 53 2HE2
2 A ASN 56 1HD2
2 A ASN 56 2HD2
2 A GLN 60 1HE2
2 A GLN 60 2HE2
2 A GLN 65 1HE2
2 A GLN 65 2HE2
2 A GLN 70 1HE2
2 A GLN 70 2HE2
2 A ASN 78 1HD2
2 A ASN 78 2HD2
2 A ASN 79 1HD2
2 A ASN 79 2HD2
2 A GLN 85 1HE2
2 A GLN 85 2HE2
2 A GLN 100 1HE2
2 A GLN 100 2HE2
2 A GLN 103 1HE2
2 A GLN 103 2HE2
2 A GLN 114 1HE2
2 A GLN 114 2HE2
2 A GLN 115 1HE2
2 A GLN 115 2HE2
3 A GLN 13 1HE2
3 A GLN 13 2HE2
3 A GLN 37 1HE2
3 A GLN 37 2HE2
3 A GLN 38 1HE2
3 A GLN 38 2HE2
3 A GLN 53 1HE2
3 A GLN 53 2HE2
3 A ASN 56 1HD2
3 A ASN 56 2HD2
3 A GLN 60 1HE2
3 A GLN 60 2HE2
3 A GLN 65 1HE2
3 A GLN 65 2HE2
3 A GLN 70 1HE2
3 A GLN 70 2HE2
3 A ASN 78 1HD2
3 A ASN 78 2HD2
3 A ASN 79 1HD2
3 A ASN 79 2HD2
3 A GLN 85 1HE2
3 A GLN 85 2HE2
3 A GLN 100 1HE2
3 A GLN 100 2HE2
3 A GLN 103 1HE2
3 A GLN 103 2HE2
3 A GLN 114 1HE2
3 A GLN 114 2HE2
3 A GLN 115 1HE2
3 A GLN 115 2HE2
4 A GLN 13 1HE2
4 A GLN 13 2HE2
4 A GLN 37 1HE2
4 A GLN 37 2HE2
4 A GLN 38 1HE2
4 A GLN 38 2HE2
4 A GLN 53 1HE2
4 A GLN 53 2HE2
4 A ASN 56 1HD2
4 A ASN 56 2HD2
4 A GLN 60 1HE2
4 A GLN 60 2HE2
4 A GLN 65 1HE2
4 A GLN 65 2HE2
4 A GLN 70 1HE2
4 A GLN 70 2HE2
4 A ASN 78 1HD2
4 A ASN 78 2HD2
4 A ASN 79 1HD2
4 A ASN 79 2HD2
4 A GLN 85 1HE2
4 A GLN 85 2HE2
4 A GLN 100 1HE2
4 A GLN 100 2HE2
4 A GLN 103 1HE2
4 A GLN 103 2HE2
4 A GLN 114 1HE2
4 A GLN 114 2HE2
4 A GLN 115 1HE2
4 A GLN 115 2HE2
5 A GLN 13 1HE2
5 A GLN 13 2HE2
5 A GLN 37 1HE2
5 A GLN 37 2HE2
5 A GLN 38 1HE2
5 A GLN 38 2HE2
5 A GLN 53 1HE2
5 A GLN 53 2HE2
5 A ASN 56 1HD2
5 A ASN 56 2HD2
5 A GLN 60 1HE2
5 A GLN 60 2HE2
5 A GLN 65 1HE2
5 A GLN 65 2HE2
5 A GLN 70 1HE2
5 A GLN 70 2HE2
5 A ASN 78 1HD2
5 A ASN 78 2HD2
5 A ASN 79 1HD2
5 A ASN 79 2HD2
5 A GLN 85 1HE2
5 A GLN 85 2HE2
5 A GLN 100 1HE2
5 A GLN 100 2HE2
5 A GLN 103 1HE2
5 A GLN 103 2HE2
5 A GLN 114 1HE2
5 A GLN 114 2HE2
5 A GLN 115 1HE2
5 A GLN 115 2HE2
6 A GLN 13 1HE2
6 A GLN 13 2HE2
6 A GLN 37 1HE2
6 A GLN 37 2HE2
6 A GLN 38 1HE2
6 A GLN 38 2HE2
6 A GLN 53 1HE2
6 A GLN 53 2HE2
6 A ASN 56 1HD2
6 A ASN 56 2HD2
6 A GLN 60 1HE2
6 A GLN 60 2HE2
6 A GLN 65 1HE2
6 A GLN 65 2HE2
6 A GLN 70 1HE2
6 A GLN 70 2HE2
6 A ASN 78 1HD2
6 A ASN 78 2HD2
6 A ASN 79 1HD2
6 A ASN 79 2HD2
6 A GLN 85 1HE2
6 A GLN 85 2HE2
6 A GLN 100 1HE2
6 A GLN 100 2HE2
6 A GLN 103 1HE2
6 A GLN 103 2HE2
6 A GLN 114 1HE2
6 A GLN 114 2HE2
6 A GLN 115 1HE2
6 A GLN 115 2HE2
7 A GLN 13 1HE2
7 A GLN 13 2HE2
7 A GLN 37 1HE2
7 A GLN 37 2HE2
7 A GLN 38 1HE2
7 A GLN 38 2HE2
7 A GLN 53 1HE2
7 A GLN 53 2HE2
7 A ASN 56 1HD2
7 A ASN 56 2HD2
7 A GLN 60 1HE2
7 A GLN 60 2HE2
7 A GLN 65 1HE2
7 A GLN 65 2HE2
7 A GLN 70 1HE2
7 A GLN 70 2HE2
7 A ASN 78 1HD2
7 A ASN 78 2HD2
7 A ASN 79 1HD2
7 A ASN 79 2HD2
7 A GLN 85 1HE2
7 A GLN 85 2HE2
7 A GLN 100 1HE2
7 A GLN 100 2HE2
7 A GLN 103 1HE2
7 A GLN 103 2HE2
7 A GLN 114 1HE2
7 A GLN 114 2HE2
7 A GLN 115 1HE2
7 A GLN 115 2HE2
8 A GLN 13 1HE2
8 A GLN 13 2HE2
8 A GLN 37 1HE2
8 A GLN 37 2HE2
8 A GLN 38 1HE2
8 A GLN 38 2HE2
8 A GLN 53 1HE2
8 A GLN 53 2HE2
8 A ASN 56 1HD2
8 A ASN 56 2HD2
8 A GLN 60 1HE2
8 A GLN 60 2HE2
8 A GLN 65 1HE2
8 A GLN 65 2HE2
8 A GLN 70 1HE2
8 A GLN 70 2HE2
8 A ASN 78 1HD2
8 A ASN 78 2HD2
8 A ASN 79 1HD2
8 A ASN 79 2HD2
8 A GLN 85 1HE2
8 A GLN 85 2HE2
8 A GLN 100 1HE2
8 A GLN 100 2HE2
8 A GLN 103 1HE2
8 A GLN 103 2HE2
8 A GLN 114 1HE2
8 A GLN 114 2HE2
8 A GLN 115 1HE2
8 A GLN 115 2HE2
9 A GLN 13 1HE2
9 A GLN 13 2HE2
9 A GLN 37 1HE2
9 A GLN 37 2HE2
9 A GLN 38 1HE2
9 A GLN 38 2HE2
9 A GLN 53 1HE2
9 A GLN 53 2HE2
9 A ASN 56 1HD2
9 A ASN 56 2HD2
9 A GLN 60 1HE2
9 A GLN 60 2HE2
9 A GLN 65 1HE2
9 A GLN 65 2HE2
9 A GLN 70 1HE2
9 A GLN 70 2HE2
9 A ASN 78 1HD2
9 A ASN 78 2HD2
9 A ASN 79 1HD2
9 A ASN 79 2HD2
9 A GLN 85 1HE2
9 A GLN 85 2HE2
9 A GLN 100 1HE2
9 A GLN 100 2HE2
9 A GLN 103 1HE2
9 A GLN 103 2HE2
9 A GLN 114 1HE2
9 A GLN 114 2HE2
9 A GLN 115 1HE2
9 A GLN 115 2HE2
10 A GLN 13 1HE2
10 A GLN 13 2HE2
10 A GLN 37 1HE2
10 A GLN 37 2HE2
10 A GLN 38 1HE2
10 A GLN 38 2HE2
10 A GLN 53 1HE2
10 A GLN 53 2HE2
10 A ASN 56 1HD2
10 A ASN 56 2HD2
10 A GLN 60 1HE2
10 A GLN 60 2HE2
10 A GLN 65 1HE2
10 A GLN 65 2HE2
10 A GLN 70 1HE2
10 A GLN 70 2HE2
10 A ASN 78 1HD2
10 A ASN 78 2HD2
10 A ASN 79 1HD2
10 A ASN 79 2HD2
10 A GLN 85 1HE2
10 A GLN 85 2HE2
10 A GLN 100 1HE2
10 A GLN 100 2HE2
10 A GLN 103 1HE2
10 A GLN 103 2HE2
10 A GLN 114 1HE2
10 A GLN 114 2HE2
10 A GLN 115 1HE2
10 A GLN 115 2HE2
11 A GLN 13 1HE2
11 A GLN 13 2HE2
11 A GLN 37 1HE2
11 A GLN 37 2HE2
11 A GLN 38 1HE2
11 A GLN 38 2HE2
11 A GLN 53 1HE2
11 A GLN 53 2HE2
11 A ASN 56 1HD2
11 A ASN 56 2HD2
11 A GLN 60 1HE2
11 A GLN 60 2HE2
11 A GLN 65 1HE2
11 A GLN 65 2HE2
11 A GLN 70 1HE2
11 A GLN 70 2HE2
11 A ASN 78 1HD2
11 A ASN 78 2HD2
11 A ASN 79 1HD2
11 A ASN 79 2HD2
11 A GLN 85 1HE2
11 A GLN 85 2HE2
11 A GLN 100 1HE2
11 A GLN 100 2HE2
11 A GLN 103 1HE2
11 A GLN 103 2HE2
11 A GLN 114 1HE2
11 A GLN 114 2HE2
11 A GLN 115 1HE2
11 A GLN 115 2HE2
12 A GLN 13 1HE2
12 A GLN 13 2HE2
12 A GLN 37 1HE2
12 A GLN 37 2HE2
12 A GLN 38 1HE2
12 A GLN 38 2HE2
12 A GLN 53 1HE2
12 A GLN 53 2HE2
12 A ASN 56 1HD2
12 A ASN 56 2HD2
12 A GLN 60 1HE2
12 A GLN 60 2HE2
12 A GLN 65 1HE2
12 A GLN 65 2HE2
12 A GLN 70 1HE2
12 A GLN 70 2HE2
12 A ASN 78 1HD2
12 A ASN 78 2HD2
12 A ASN 79 1HD2
12 A ASN 79 2HD2
12 A GLN 85 1HE2
12 A GLN 85 2HE2
12 A GLN 100 1HE2
12 A GLN 100 2HE2
12 A GLN 103 1HE2
12 A GLN 103 2HE2
12 A GLN 114 1HE2
12 A GLN 114 2HE2
12 A GLN 115 1HE2
12 A GLN 115 2HE2
13 A GLN 13 1HE2
13 A GLN 13 2HE2
13 A GLN 37 1HE2
13 A GLN 37 2HE2
13 A GLN 38 1HE2
13 A GLN 38 2HE2
13 A GLN 53 1HE2
13 A GLN 53 2HE2
13 A ASN 56 1HD2
13 A ASN 56 2HD2
13 A GLN 60 1HE2
13 A GLN 60 2HE2
13 A GLN 65 1HE2
13 A GLN 65 2HE2
13 A GLN 70 1HE2
13 A GLN 70 2HE2
13 A ASN 78 1HD2
13 A ASN 78 2HD2
13 A ASN 79 1HD2
13 A ASN 79 2HD2
13 A GLN 85 1HE2
13 A GLN 85 2HE2
13 A GLN 100 1HE2
13 A GLN 100 2HE2
13 A GLN 103 1HE2
13 A GLN 103 2HE2
13 A GLN 114 1HE2
13 A GLN 114 2HE2
13 A GLN 115 1HE2
13 A GLN 115 2HE2
14 A GLN 13 1HE2
14 A GLN 13 2HE2
14 A GLN 37 1HE2
14 A GLN 37 2HE2
14 A GLN 38 1HE2
14 A GLN 38 2HE2
14 A GLN 53 1HE2
14 A GLN 53 2HE2
14 A ASN 56 1HD2
14 A ASN 56 2HD2
14 A GLN 60 1HE2
14 A GLN 60 2HE2
14 A GLN 65 1HE2
14 A GLN 65 2HE2
14 A GLN 70 1HE2
14 A GLN 70 2HE2
14 A ASN 78 1HD2
14 A ASN 78 2HD2
14 A ASN 79 1HD2
14 A ASN 79 2HD2
14 A GLN 85 1HE2
14 A GLN 85 2HE2
14 A GLN 100 1HE2
14 A GLN 100 2HE2
14 A GLN 103 1HE2
14 A GLN 103 2HE2
14 A GLN 114 1HE2
14 A GLN 114 2HE2
14 A GLN 115 1HE2
14 A GLN 115 2HE2
15 A GLN 13 1HE2
15 A GLN 13 2HE2
15 A GLN 37 1HE2
15 A GLN 37 2HE2
15 A GLN 38 1HE2
15 A GLN 38 2HE2
15 A GLN 53 1HE2
15 A GLN 53 2HE2
15 A ASN 56 1HD2
15 A ASN 56 2HD2
15 A GLN 60 1HE2
15 A GLN 60 2HE2
15 A GLN 65 1HE2
15 A GLN 65 2HE2
15 A GLN 70 1HE2
15 A GLN 70 2HE2
15 A ASN 78 1HD2
15 A ASN 78 2HD2
15 A ASN 79 1HD2
15 A ASN 79 2HD2
15 A GLN 85 1HE2
15 A GLN 85 2HE2
15 A GLN 100 1HE2
15 A GLN 100 2HE2
15 A GLN 103 1HE2
15 A GLN 103 2HE2
15 A GLN 114 1HE2
15 A GLN 114 2HE2
15 A GLN 115 1HE2
15 A GLN 115 2HE2
16 A GLN 13 1HE2
16 A GLN 13 2HE2
16 A GLN 37 1HE2
16 A GLN 37 2HE2
16 A GLN 38 1HE2
16 A GLN 38 2HE2
16 A GLN 53 1HE2
16 A GLN 53 2HE2
16 A ASN 56 1HD2
16 A ASN 56 2HD2
16 A GLN 60 1HE2
16 A GLN 60 2HE2
16 A GLN 65 1HE2
16 A GLN 65 2HE2
16 A GLN 70 1HE2
16 A GLN 70 2HE2
16 A ASN 78 1HD2
16 A ASN 78 2HD2
16 A ASN 79 1HD2
16 A ASN 79 2HD2
16 A GLN 85 1HE2
16 A GLN 85 2HE2
16 A GLN 100 1HE2
16 A GLN 100 2HE2
16 A GLN 103 1HE2
16 A GLN 103 2HE2
16 A GLN 114 1HE2
16 A GLN 114 2HE2
16 A GLN 115 1HE2
16 A GLN 115 2HE2
17 A GLN 13 1HE2
17 A GLN 13 2HE2
17 A GLN 37 1HE2
17 A GLN 37 2HE2
17 A GLN 38 1HE2
17 A GLN 38 2HE2
17 A GLN 53 1HE2
17 A GLN 53 2HE2
17 A ASN 56 1HD2
17 A ASN 56 2HD2
17 A GLN 60 1HE2
17 A GLN 60 2HE2
17 A GLN 65 1HE2
17 A GLN 65 2HE2
17 A GLN 70 1HE2
17 A GLN 70 2HE2
17 A ASN 78 1HD2
17 A ASN 78 2HD2
17 A ASN 79 1HD2
17 A ASN 79 2HD2
17 A GLN 85 1HE2
17 A GLN 85 2HE2
17 A GLN 100 1HE2
17 A GLN 100 2HE2
17 A GLN 103 1HE2
17 A GLN 103 2HE2
17 A GLN 114 1HE2
17 A GLN 114 2HE2
17 A GLN 115 1HE2
17 A GLN 115 2HE2
18 A GLN 13 1HE2
18 A GLN 13 2HE2
18 A GLN 37 1HE2
18 A GLN 37 2HE2
18 A GLN 38 1HE2
18 A GLN 38 2HE2
18 A GLN 53 1HE2
18 A GLN 53 2HE2
18 A ASN 56 1HD2
18 A ASN 56 2HD2
18 A GLN 60 1HE2
18 A GLN 60 2HE2
18 A GLN 65 1HE2
18 A GLN 65 2HE2
18 A GLN 70 1HE2
18 A GLN 70 2HE2
18 A ASN 78 1HD2
18 A ASN 78 2HD2
18 A ASN 79 1HD2
18 A ASN 79 2HD2
18 A GLN 85 1HE2
18 A GLN 85 2HE2
18 A GLN 100 1HE2
18 A GLN 100 2HE2
18 A GLN 103 1HE2
18 A GLN 103 2HE2
18 A GLN 114 1HE2
18 A GLN 114 2HE2
18 A GLN 115 1HE2
18 A GLN 115 2HE2
19 A GLN 13 1HE2
19 A GLN 13 2HE2
19 A GLN 37 1HE2
19 A GLN 37 2HE2
19 A GLN 38 1HE2
19 A GLN 38 2HE2
19 A GLN 53 1HE2
19 A GLN 53 2HE2
19 A ASN 56 1HD2
19 A ASN 56 2HD2
19 A GLN 60 1HE2
19 A GLN 60 2HE2
19 A GLN 65 1HE2
19 A GLN 65 2HE2
19 A GLN 70 1HE2
19 A GLN 70 2HE2
19 A ASN 78 1HD2
19 A ASN 78 2HD2
19 A ASN 79 1HD2
19 A ASN 79 2HD2
19 A GLN 85 1HE2
19 A GLN 85 2HE2
19 A GLN 100 1HE2
19 A GLN 100 2HE2
19 A GLN 103 1HE2
19 A GLN 103 2HE2
19 A GLN 114 1HE2
19 A GLN 114 2HE2
19 A GLN 115 1HE2
19 A GLN 115 2HE2
20 A GLN 13 1HE2
20 A GLN 13 2HE2
20 A GLN 37 1HE2
20 A GLN 37 2HE2
20 A GLN 38 1HE2
20 A GLN 38 2HE2
20 A GLN 53 1HE2
20 A GLN 53 2HE2
20 A ASN 56 1HD2
20 A ASN 56 2HD2
20 A GLN 60 1HE2
20 A GLN 60 2HE2
20 A GLN 65 1HE2
20 A GLN 65 2HE2
20 A GLN 70 1HE2
20 A GLN 70 2HE2
20 A ASN 78 1HD2
20 A ASN 78 2HD2
20 A ASN 79 1HD2
20 A ASN 79 2HD2
20 A GLN 85 1HE2
20 A GLN 85 2HE2
20 A GLN 100 1HE2
20 A GLN 100 2HE2
20 A GLN 103 1HE2
20 A GLN 103 2HE2
20 A GLN 114 1HE2
20 A GLN 114 2HE2
20 A GLN 115 1HE2
20 A GLN 115 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-120 )
GLY( 1 A-119 )
HIS( 1 A-118 )
HIS( 1 A-117 )
HIS( 1 A-116 )
HIS( 1 A-115 )
HIS( 1 A-114 )
HIS( 1 A-113 )
SER( 1 A-112 )
HIS( 1 A-111 )
MET( 1 A-110 )
ALA( 1 A-109 )
GLN( 1 A-108 )
PHE( 1 A-107 )
PRO( 1 A-106 )
THR( 1 A-105 )
PRO( 1 A-104 )
PHE( 1 A-103 )
GLY( 1 A-102 )
GLY( 1 A-101 )
SER( 1 A-100 )
LEU( 1 A -99 )
ASP( 1 A -98 )
THR( 1 A -97 )
TRP( 1 A -96 )
ALA( 1 A -95 )
ILE( 1 A -94 )
THR( 1 A -93 )
VAL( 1 A -92 )
GLU( 1 A -91 )
GLU( 1 A -90 )
ARG( 1 A -89 )
ALA( 1 A -88 )
LYS( 1 A -87 )
HIS( 1 A -86 )
ASP( 1 A -85 )
GLN( 1 A -84 )
GLN( 1 A -83 )
PHE( 1 A -82 )
HIS( 1 A -81 )
SER( 1 A -80 )
LEU( 1 A -79 )
LYS( 1 A -78 )
PRO( 1 A -77 )
ILE( 1 A -76 )
SER( 1 A -75 )
GLY( 1 A -74 )
PHE( 1 A -73 )
ILE( 1 A -72 )
THR( 1 A -71 )
GLY( 1 A -70 )
ASP( 1 A -69 )
GLN( 1 A -68 )
ALA( 1 A -67 )
ARG( 1 A -66 )
ASN( 1 A -65 )
PHE( 1 A -64 )
PHE( 1 A -63 )
PHE( 1 A -62 )
GLN( 1 A -61 )
SER( 1 A -60 )
GLY( 1 A -59 )
LEU( 1 A -58 )
PRO( 1 A -57 )
GLN( 1 A -56 )
PRO( 1 A -55 )
VAL( 1 A -54 )
LEU( 1 A -53 )
ALA( 1 A -52 )
GLN( 1 A -51 )
ILE( 1 A -50 )
TRP( 1 A -49 )
ALA( 1 A -48 )
LEU( 1 A -47 )
ALA( 1 A -46 )
ASP( 1 A -45 )
MET( 1 A -44 )
ASN( 1 A -43 )
ASN( 1 A -42 )
ASP( 1 A -41 )
GLY( 1 A -40 )
ARG( 1 A -39 )
MET( 1 A -38 )
ASP( 1 A -37 )
GLN( 1 A -36 )
VAL( 1 A -35 )
GLU( 1 A -34 )
PHE( 1 A -33 )
SER( 1 A -32 )
ILE( 1 A -31 )
ALA( 1 A -30 )
MET( 1 A -29 )
LYS( 1 A -28 )
LEU( 1 A -27 )
ILE( 1 A -26 )
LYS( 1 A -25 )
LEU( 1 A -24 )
LYS( 1 A -23 )
LEU( 1 A -22 )
GLN( 1 A -21 )
GLY( 1 A -20 )
TYR( 1 A -19 )
GLN( 1 A -18 )
LEU( 1 A -17 )
PRO( 1 A -16 )
SER( 1 A -15 )
ALA( 1 A -14 )
LEU( 1 A -13 )
PRO( 1 A -12 )
PRO( 1 A -11 )
VAL( 1 A -10 )
MET( 1 A -9 )
LYS( 1 A -8 )
GLN( 1 A -7 )
GLN( 1 A -6 )
PRO( 1 A -5 )
VAL( 1 A -4 )
ALA( 1 A -3 )
ILE( 1 A -2 )
SER( 1 A -1 )
SER( 1 A 0 )
MET( 2 A-120 )
GLY( 2 A-119 )
HIS( 2 A-118 )
HIS( 2 A-117 )
HIS( 2 A-116 )
HIS( 2 A-115 )
HIS( 2 A-114 )
HIS( 2 A-113 )
SER( 2 A-112 )
HIS( 2 A-111 )
MET( 2 A-110 )
ALA( 2 A-109 )
GLN( 2 A-108 )
PHE( 2 A-107 )
PRO( 2 A-106 )
THR( 2 A-105 )
PRO( 2 A-104 )
PHE( 2 A-103 )
GLY( 2 A-102 )
GLY( 2 A-101 )
SER( 2 A-100 )
LEU( 2 A -99 )
ASP( 2 A -98 )
THR( 2 A -97 )
TRP( 2 A -96 )
ALA( 2 A -95 )
ILE( 2 A -94 )
THR( 2 A -93 )
VAL( 2 A -92 )
GLU( 2 A -91 )
GLU( 2 A -90 )
ARG( 2 A -89 )
ALA( 2 A -88 )
LYS( 2 A -87 )
HIS( 2 A -86 )
ASP( 2 A -85 )
GLN( 2 A -84 )
GLN( 2 A -83 )
PHE( 2 A -82 )
HIS( 2 A -81 )
SER( 2 A -80 )
LEU( 2 A -79 )
LYS( 2 A -78 )
PRO( 2 A -77 )
ILE( 2 A -76 )
SER( 2 A -75 )
GLY( 2 A -74 )
PHE( 2 A -73 )
ILE( 2 A -72 )
THR( 2 A -71 )
GLY( 2 A -70 )
ASP( 2 A -69 )
GLN( 2 A -68 )
ALA( 2 A -67 )
ARG( 2 A -66 )
ASN( 2 A -65 )
PHE( 2 A -64 )
PHE( 2 A -63 )
PHE( 2 A -62 )
GLN( 2 A -61 )
SER( 2 A -60 )
GLY( 2 A -59 )
LEU( 2 A -58 )
PRO( 2 A -57 )
GLN( 2 A -56 )
PRO( 2 A -55 )
VAL( 2 A -54 )
LEU( 2 A -53 )
ALA( 2 A -52 )
GLN( 2 A -51 )
ILE( 2 A -50 )
TRP( 2 A -49 )
ALA( 2 A -48 )
LEU( 2 A -47 )
ALA( 2 A -46 )
ASP( 2 A -45 )
MET( 2 A -44 )
ASN( 2 A -43 )
ASN( 2 A -42 )
ASP( 2 A -41 )
GLY( 2 A -40 )
ARG( 2 A -39 )
MET( 2 A -38 )
ASP( 2 A -37 )
GLN( 2 A -36 )
VAL( 2 A -35 )
GLU( 2 A -34 )
PHE( 2 A -33 )
SER( 2 A -32 )
ILE( 2 A -31 )
ALA( 2 A -30 )
MET( 2 A -29 )
LYS( 2 A -28 )
LEU( 2 A -27 )
ILE( 2 A -26 )
LYS( 2 A -25 )
LEU( 2 A -24 )
LYS( 2 A -23 )
LEU( 2 A -22 )
GLN( 2 A -21 )
GLY( 2 A -20 )
TYR( 2 A -19 )
GLN( 2 A -18 )
LEU( 2 A -17 )
PRO( 2 A -16 )
SER( 2 A -15 )
ALA( 2 A -14 )
LEU( 2 A -13 )
PRO( 2 A -12 )
PRO( 2 A -11 )
VAL( 2 A -10 )
MET( 2 A -9 )
LYS( 2 A -8 )
GLN( 2 A -7 )
GLN( 2 A -6 )
PRO( 2 A -5 )
VAL( 2 A -4 )
ALA( 2 A -3 )
ILE( 2 A -2 )
SER( 2 A -1 )
SER( 2 A 0 )
MET( 3 A-120 )
GLY( 3 A-119 )
HIS( 3 A-118 )
HIS( 3 A-117 )
HIS( 3 A-116 )
HIS( 3 A-115 )
HIS( 3 A-114 )
HIS( 3 A-113 )
SER( 3 A-112 )
HIS( 3 A-111 )
MET( 3 A-110 )
ALA( 3 A-109 )
GLN( 3 A-108 )
PHE( 3 A-107 )
PRO( 3 A-106 )
THR( 3 A-105 )
PRO( 3 A-104 )
PHE( 3 A-103 )
GLY( 3 A-102 )
GLY( 3 A-101 )
SER( 3 A-100 )
LEU( 3 A -99 )
ASP( 3 A -98 )
THR( 3 A -97 )
TRP( 3 A -96 )
ALA( 3 A -95 )
ILE( 3 A -94 )
THR( 3 A -93 )
VAL( 3 A -92 )
GLU( 3 A -91 )
GLU( 3 A -90 )
ARG( 3 A -89 )
ALA( 3 A -88 )
LYS( 3 A -87 )
HIS( 3 A -86 )
ASP( 3 A -85 )
GLN( 3 A -84 )
GLN( 3 A -83 )
PHE( 3 A -82 )
HIS( 3 A -81 )
SER( 3 A -80 )
LEU( 3 A -79 )
LYS( 3 A -78 )
PRO( 3 A -77 )
ILE( 3 A -76 )
SER( 3 A -75 )
GLY( 3 A -74 )
PHE( 3 A -73 )
ILE( 3 A -72 )
THR( 3 A -71 )
GLY( 3 A -70 )
ASP( 3 A -69 )
GLN( 3 A -68 )
ALA( 3 A -67 )
ARG( 3 A -66 )
ASN( 3 A -65 )
PHE( 3 A -64 )
PHE( 3 A -63 )
PHE( 3 A -62 )
GLN( 3 A -61 )
SER( 3 A -60 )
GLY( 3 A -59 )
LEU( 3 A -58 )
PRO( 3 A -57 )
GLN( 3 A -56 )
PRO( 3 A -55 )
VAL( 3 A -54 )
LEU( 3 A -53 )
ALA( 3 A -52 )
GLN( 3 A -51 )
ILE( 3 A -50 )
TRP( 3 A -49 )
ALA( 3 A -48 )
LEU( 3 A -47 )
ALA( 3 A -46 )
ASP( 3 A -45 )
MET( 3 A -44 )
ASN( 3 A -43 )
ASN( 3 A -42 )
ASP( 3 A -41 )
GLY( 3 A -40 )
ARG( 3 A -39 )
MET( 3 A -38 )
ASP( 3 A -37 )
GLN( 3 A -36 )
VAL( 3 A -35 )
GLU( 3 A -34 )
PHE( 3 A -33 )
SER( 3 A -32 )
ILE( 3 A -31 )
ALA( 3 A -30 )
MET( 3 A -29 )
LYS( 3 A -28 )
LEU( 3 A -27 )
ILE( 3 A -26 )
LYS( 3 A -25 )
LEU( 3 A -24 )
LYS( 3 A -23 )
LEU( 3 A -22 )
GLN( 3 A -21 )
GLY( 3 A -20 )
TYR( 3 A -19 )
GLN( 3 A -18 )
LEU( 3 A -17 )
PRO( 3 A -16 )
SER( 3 A -15 )
ALA( 3 A -14 )
LEU( 3 A -13 )
PRO( 3 A -12 )
PRO( 3 A -11 )
VAL( 3 A -10 )
MET( 3 A -9 )
LYS( 3 A -8 )
GLN( 3 A -7 )
GLN( 3 A -6 )
PRO( 3 A -5 )
VAL( 3 A -4 )
ALA( 3 A -3 )
ILE( 3 A -2 )
SER( 3 A -1 )
SER( 3 A 0 )
MET( 4 A-120 )
GLY( 4 A-119 )
HIS( 4 A-118 )
HIS( 4 A-117 )
HIS( 4 A-116 )
HIS( 4 A-115 )
HIS( 4 A-114 )
HIS( 4 A-113 )
SER( 4 A-112 )
HIS( 4 A-111 )
MET( 4 A-110 )
ALA( 4 A-109 )
GLN( 4 A-108 )
PHE( 4 A-107 )
PRO( 4 A-106 )
THR( 4 A-105 )
PRO( 4 A-104 )
PHE( 4 A-103 )
GLY( 4 A-102 )
GLY( 4 A-101 )
SER( 4 A-100 )
LEU( 4 A -99 )
ASP( 4 A -98 )
THR( 4 A -97 )
TRP( 4 A -96 )
ALA( 4 A -95 )
ILE( 4 A -94 )
THR( 4 A -93 )
VAL( 4 A -92 )
GLU( 4 A -91 )
GLU( 4 A -90 )
ARG( 4 A -89 )
ALA( 4 A -88 )
LYS( 4 A -87 )
HIS( 4 A -86 )
ASP( 4 A -85 )
GLN( 4 A -84 )
GLN( 4 A -83 )
PHE( 4 A -82 )
HIS( 4 A -81 )
SER( 4 A -80 )
LEU( 4 A -79 )
LYS( 4 A -78 )
PRO( 4 A -77 )
ILE( 4 A -76 )
SER( 4 A -75 )
GLY( 4 A -74 )
PHE( 4 A -73 )
ILE( 4 A -72 )
THR( 4 A -71 )
GLY( 4 A -70 )
ASP( 4 A -69 )
GLN( 4 A -68 )
ALA( 4 A -67 )
ARG( 4 A -66 )
ASN( 4 A -65 )
PHE( 4 A -64 )
PHE( 4 A -63 )
PHE( 4 A -62 )
GLN( 4 A -61 )
SER( 4 A -60 )
GLY( 4 A -59 )
LEU( 4 A -58 )
PRO( 4 A -57 )
GLN( 4 A -56 )
PRO( 4 A -55 )
VAL( 4 A -54 )
LEU( 4 A -53 )
ALA( 4 A -52 )
GLN( 4 A -51 )
ILE( 4 A -50 )
TRP( 4 A -49 )
ALA( 4 A -48 )
LEU( 4 A -47 )
ALA( 4 A -46 )
ASP( 4 A -45 )
MET( 4 A -44 )
ASN( 4 A -43 )
ASN( 4 A -42 )
ASP( 4 A -41 )
GLY( 4 A -40 )
ARG( 4 A -39 )
MET( 4 A -38 )
ASP( 4 A -37 )
GLN( 4 A -36 )
VAL( 4 A -35 )
GLU( 4 A -34 )
PHE( 4 A -33 )
SER( 4 A -32 )
ILE( 4 A -31 )
ALA( 4 A -30 )
MET( 4 A -29 )
LYS( 4 A -28 )
LEU( 4 A -27 )
ILE( 4 A -26 )
LYS( 4 A -25 )
LEU( 4 A -24 )
LYS( 4 A -23 )
LEU( 4 A -22 )
GLN( 4 A -21 )
GLY( 4 A -20 )
TYR( 4 A -19 )
GLN( 4 A -18 )
LEU( 4 A -17 )
PRO( 4 A -16 )
SER( 4 A -15 )
ALA( 4 A -14 )
LEU( 4 A -13 )
PRO( 4 A -12 )
PRO( 4 A -11 )
VAL( 4 A -10 )
MET( 4 A -9 )
LYS( 4 A -8 )
GLN( 4 A -7 )
GLN( 4 A -6 )
PRO( 4 A -5 )
VAL( 4 A -4 )
ALA( 4 A -3 )
ILE( 4 A -2 )
SER( 4 A -1 )
SER( 4 A 0 )
MET( 5 A-120 )
GLY( 5 A-119 )
HIS( 5 A-118 )
HIS( 5 A-117 )
HIS( 5 A-116 )
HIS( 5 A-115 )
HIS( 5 A-114 )
HIS( 5 A-113 )
SER( 5 A-112 )
HIS( 5 A-111 )
MET( 5 A-110 )
ALA( 5 A-109 )
GLN( 5 A-108 )
PHE( 5 A-107 )
PRO( 5 A-106 )
THR( 5 A-105 )
PRO( 5 A-104 )
PHE( 5 A-103 )
GLY( 5 A-102 )
GLY( 5 A-101 )
SER( 5 A-100 )
LEU( 5 A -99 )
ASP( 5 A -98 )
THR( 5 A -97 )
TRP( 5 A -96 )
ALA( 5 A -95 )
ILE( 5 A -94 )
THR( 5 A -93 )
VAL( 5 A -92 )
GLU( 5 A -91 )
GLU( 5 A -90 )
ARG( 5 A -89 )
ALA( 5 A -88 )
LYS( 5 A -87 )
HIS( 5 A -86 )
ASP( 5 A -85 )
GLN( 5 A -84 )
GLN( 5 A -83 )
PHE( 5 A -82 )
HIS( 5 A -81 )
SER( 5 A -80 )
LEU( 5 A -79 )
LYS( 5 A -78 )
PRO( 5 A -77 )
ILE( 5 A -76 )
SER( 5 A -75 )
GLY( 5 A -74 )
PHE( 5 A -73 )
ILE( 5 A -72 )
THR( 5 A -71 )
GLY( 5 A -70 )
ASP( 5 A -69 )
GLN( 5 A -68 )
ALA( 5 A -67 )
ARG( 5 A -66 )
ASN( 5 A -65 )
PHE( 5 A -64 )
PHE( 5 A -63 )
PHE( 5 A -62 )
GLN( 5 A -61 )
SER( 5 A -60 )
GLY( 5 A -59 )
LEU( 5 A -58 )
PRO( 5 A -57 )
GLN( 5 A -56 )
PRO( 5 A -55 )
VAL( 5 A -54 )
LEU( 5 A -53 )
ALA( 5 A -52 )
GLN( 5 A -51 )
ILE( 5 A -50 )
TRP( 5 A -49 )
ALA( 5 A -48 )
LEU( 5 A -47 )
ALA( 5 A -46 )
ASP( 5 A -45 )
MET( 5 A -44 )
ASN( 5 A -43 )
ASN( 5 A -42 )
ASP( 5 A -41 )
GLY( 5 A -40 )
ARG( 5 A -39 )
MET( 5 A -38 )
ASP( 5 A -37 )
GLN( 5 A -36 )
VAL( 5 A -35 )
GLU( 5 A -34 )
PHE( 5 A -33 )
SER( 5 A -32 )
ILE( 5 A -31 )
ALA( 5 A -30 )
MET( 5 A -29 )
LYS( 5 A -28 )
LEU( 5 A -27 )
ILE( 5 A -26 )
LYS( 5 A -25 )
LEU( 5 A -24 )
LYS( 5 A -23 )
LEU( 5 A -22 )
GLN( 5 A -21 )
GLY( 5 A -20 )
TYR( 5 A -19 )
GLN( 5 A -18 )
LEU( 5 A -17 )
PRO( 5 A -16 )
SER( 5 A -15 )
ALA( 5 A -14 )
LEU( 5 A -13 )
PRO( 5 A -12 )
PRO( 5 A -11 )
VAL( 5 A -10 )
MET( 5 A -9 )
LYS( 5 A -8 )
GLN( 5 A -7 )
GLN( 5 A -6 )
PRO( 5 A -5 )
VAL( 5 A -4 )
ALA( 5 A -3 )
ILE( 5 A -2 )
SER( 5 A -1 )
SER( 5 A 0 )
MET( 6 A-120 )
GLY( 6 A-119 )
HIS( 6 A-118 )
HIS( 6 A-117 )
HIS( 6 A-116 )
HIS( 6 A-115 )
HIS( 6 A-114 )
HIS( 6 A-113 )
SER( 6 A-112 )
HIS( 6 A-111 )
MET( 6 A-110 )
ALA( 6 A-109 )
GLN( 6 A-108 )
PHE( 6 A-107 )
PRO( 6 A-106 )
THR( 6 A-105 )
PRO( 6 A-104 )
PHE( 6 A-103 )
GLY( 6 A-102 )
GLY( 6 A-101 )
SER( 6 A-100 )
LEU( 6 A -99 )
ASP( 6 A -98 )
THR( 6 A -97 )
TRP( 6 A -96 )
ALA( 6 A -95 )
ILE( 6 A -94 )
THR( 6 A -93 )
VAL( 6 A -92 )
GLU( 6 A -91 )
GLU( 6 A -90 )
ARG( 6 A -89 )
ALA( 6 A -88 )
LYS( 6 A -87 )
HIS( 6 A -86 )
ASP( 6 A -85 )
GLN( 6 A -84 )
GLN( 6 A -83 )
PHE( 6 A -82 )
HIS( 6 A -81 )
SER( 6 A -80 )
LEU( 6 A -79 )
LYS( 6 A -78 )
PRO( 6 A -77 )
ILE( 6 A -76 )
SER( 6 A -75 )
GLY( 6 A -74 )
PHE( 6 A -73 )
ILE( 6 A -72 )
THR( 6 A -71 )
GLY( 6 A -70 )
ASP( 6 A -69 )
GLN( 6 A -68 )
ALA( 6 A -67 )
ARG( 6 A -66 )
ASN( 6 A -65 )
PHE( 6 A -64 )
PHE( 6 A -63 )
PHE( 6 A -62 )
GLN( 6 A -61 )
SER( 6 A -60 )
GLY( 6 A -59 )
LEU( 6 A -58 )
PRO( 6 A -57 )
GLN( 6 A -56 )
PRO( 6 A -55 )
VAL( 6 A -54 )
LEU( 6 A -53 )
ALA( 6 A -52 )
GLN( 6 A -51 )
ILE( 6 A -50 )
TRP( 6 A -49 )
ALA( 6 A -48 )
LEU( 6 A -47 )
ALA( 6 A -46 )
ASP( 6 A -45 )
MET( 6 A -44 )
ASN( 6 A -43 )
ASN( 6 A -42 )
ASP( 6 A -41 )
GLY( 6 A -40 )
ARG( 6 A -39 )
MET( 6 A -38 )
ASP( 6 A -37 )
GLN( 6 A -36 )
VAL( 6 A -35 )
GLU( 6 A -34 )
PHE( 6 A -33 )
SER( 6 A -32 )
ILE( 6 A -31 )
ALA( 6 A -30 )
MET( 6 A -29 )
LYS( 6 A -28 )
LEU( 6 A -27 )
ILE( 6 A -26 )
LYS( 6 A -25 )
LEU( 6 A -24 )
LYS( 6 A -23 )
LEU( 6 A -22 )
GLN( 6 A -21 )
GLY( 6 A -20 )
TYR( 6 A -19 )
GLN( 6 A -18 )
LEU( 6 A -17 )
PRO( 6 A -16 )
SER( 6 A -15 )
ALA( 6 A -14 )
LEU( 6 A -13 )
PRO( 6 A -12 )
PRO( 6 A -11 )
VAL( 6 A -10 )
MET( 6 A -9 )
LYS( 6 A -8 )
GLN( 6 A -7 )
GLN( 6 A -6 )
PRO( 6 A -5 )
VAL( 6 A -4 )
ALA( 6 A -3 )
ILE( 6 A -2 )
SER( 6 A -1 )
SER( 6 A 0 )
MET( 7 A-120 )
GLY( 7 A-119 )
HIS( 7 A-118 )
HIS( 7 A-117 )
HIS( 7 A-116 )
HIS( 7 A-115 )
HIS( 7 A-114 )
HIS( 7 A-113 )
SER( 7 A-112 )
HIS( 7 A-111 )
MET( 7 A-110 )
ALA( 7 A-109 )
GLN( 7 A-108 )
PHE( 7 A-107 )
PRO( 7 A-106 )
THR( 7 A-105 )
PRO( 7 A-104 )
PHE( 7 A-103 )
GLY( 7 A-102 )
GLY( 7 A-101 )
SER( 7 A-100 )
LEU( 7 A -99 )
ASP( 7 A -98 )
THR( 7 A -97 )
TRP( 7 A -96 )
ALA( 7 A -95 )
ILE( 7 A -94 )
THR( 7 A -93 )
VAL( 7 A -92 )
GLU( 7 A -91 )
GLU( 7 A -90 )
ARG( 7 A -89 )
ALA( 7 A -88 )
LYS( 7 A -87 )
HIS( 7 A -86 )
ASP( 7 A -85 )
GLN( 7 A -84 )
GLN( 7 A -83 )
PHE( 7 A -82 )
HIS( 7 A -81 )
SER( 7 A -80 )
LEU( 7 A -79 )
LYS( 7 A -78 )
PRO( 7 A -77 )
ILE( 7 A -76 )
SER( 7 A -75 )
GLY( 7 A -74 )
PHE( 7 A -73 )
ILE( 7 A -72 )
THR( 7 A -71 )
GLY( 7 A -70 )
ASP( 7 A -69 )
GLN( 7 A -68 )
ALA( 7 A -67 )
ARG( 7 A -66 )
ASN( 7 A -65 )
PHE( 7 A -64 )
PHE( 7 A -63 )
PHE( 7 A -62 )
GLN( 7 A -61 )
SER( 7 A -60 )
GLY( 7 A -59 )
LEU( 7 A -58 )
PRO( 7 A -57 )
GLN( 7 A -56 )
PRO( 7 A -55 )
VAL( 7 A -54 )
LEU( 7 A -53 )
ALA( 7 A -52 )
GLN( 7 A -51 )
ILE( 7 A -50 )
TRP( 7 A -49 )
ALA( 7 A -48 )
LEU( 7 A -47 )
ALA( 7 A -46 )
ASP( 7 A -45 )
MET( 7 A -44 )
ASN( 7 A -43 )
ASN( 7 A -42 )
ASP( 7 A -41 )
GLY( 7 A -40 )
ARG( 7 A -39 )
MET( 7 A -38 )
ASP( 7 A -37 )
GLN( 7 A -36 )
VAL( 7 A -35 )
GLU( 7 A -34 )
PHE( 7 A -33 )
SER( 7 A -32 )
ILE( 7 A -31 )
ALA( 7 A -30 )
MET( 7 A -29 )
LYS( 7 A -28 )
LEU( 7 A -27 )
ILE( 7 A -26 )
LYS( 7 A -25 )
LEU( 7 A -24 )
LYS( 7 A -23 )
LEU( 7 A -22 )
GLN( 7 A -21 )
GLY( 7 A -20 )
TYR( 7 A -19 )
GLN( 7 A -18 )
LEU( 7 A -17 )
PRO( 7 A -16 )
SER( 7 A -15 )
ALA( 7 A -14 )
LEU( 7 A -13 )
PRO( 7 A -12 )
PRO( 7 A -11 )
VAL( 7 A -10 )
MET( 7 A -9 )
LYS( 7 A -8 )
GLN( 7 A -7 )
GLN( 7 A -6 )
PRO( 7 A -5 )
VAL( 7 A -4 )
ALA( 7 A -3 )
ILE( 7 A -2 )
SER( 7 A -1 )
SER( 7 A 0 )
MET( 8 A-120 )
GLY( 8 A-119 )
HIS( 8 A-118 )
HIS( 8 A-117 )
HIS( 8 A-116 )
HIS( 8 A-115 )
HIS( 8 A-114 )
HIS( 8 A-113 )
SER( 8 A-112 )
HIS( 8 A-111 )
MET( 8 A-110 )
ALA( 8 A-109 )
GLN( 8 A-108 )
PHE( 8 A-107 )
PRO( 8 A-106 )
THR( 8 A-105 )
PRO( 8 A-104 )
PHE( 8 A-103 )
GLY( 8 A-102 )
GLY( 8 A-101 )
SER( 8 A-100 )
LEU( 8 A -99 )
ASP( 8 A -98 )
THR( 8 A -97 )
TRP( 8 A -96 )
ALA( 8 A -95 )
ILE( 8 A -94 )
THR( 8 A -93 )
VAL( 8 A -92 )
GLU( 8 A -91 )
GLU( 8 A -90 )
ARG( 8 A -89 )
ALA( 8 A -88 )
LYS( 8 A -87 )
HIS( 8 A -86 )
ASP( 8 A -85 )
GLN( 8 A -84 )
GLN( 8 A -83 )
PHE( 8 A -82 )
HIS( 8 A -81 )
SER( 8 A -80 )
LEU( 8 A -79 )
LYS( 8 A -78 )
PRO( 8 A -77 )
ILE( 8 A -76 )
SER( 8 A -75 )
GLY( 8 A -74 )
PHE( 8 A -73 )
ILE( 8 A -72 )
THR( 8 A -71 )
GLY( 8 A -70 )
ASP( 8 A -69 )
GLN( 8 A -68 )
ALA( 8 A -67 )
ARG( 8 A -66 )
ASN( 8 A -65 )
PHE( 8 A -64 )
PHE( 8 A -63 )
PHE( 8 A -62 )
GLN( 8 A -61 )
SER( 8 A -60 )
GLY( 8 A -59 )
LEU( 8 A -58 )
PRO( 8 A -57 )
GLN( 8 A -56 )
PRO( 8 A -55 )
VAL( 8 A -54 )
LEU( 8 A -53 )
ALA( 8 A -52 )
GLN( 8 A -51 )
ILE( 8 A -50 )
TRP( 8 A -49 )
ALA( 8 A -48 )
LEU( 8 A -47 )
ALA( 8 A -46 )
ASP( 8 A -45 )
MET( 8 A -44 )
ASN( 8 A -43 )
ASN( 8 A -42 )
ASP( 8 A -41 )
GLY( 8 A -40 )
ARG( 8 A -39 )
MET( 8 A -38 )
ASP( 8 A -37 )
GLN( 8 A -36 )
VAL( 8 A -35 )
GLU( 8 A -34 )
PHE( 8 A -33 )
SER( 8 A -32 )
ILE( 8 A -31 )
ALA( 8 A -30 )
MET( 8 A -29 )
LYS( 8 A -28 )
LEU( 8 A -27 )
ILE( 8 A -26 )
LYS( 8 A -25 )
LEU( 8 A -24 )
LYS( 8 A -23 )
LEU( 8 A -22 )
GLN( 8 A -21 )
GLY( 8 A -20 )
TYR( 8 A -19 )
GLN( 8 A -18 )
LEU( 8 A -17 )
PRO( 8 A -16 )
SER( 8 A -15 )
ALA( 8 A -14 )
LEU( 8 A -13 )
PRO( 8 A -12 )
PRO( 8 A -11 )
VAL( 8 A -10 )
MET( 8 A -9 )
LYS( 8 A -8 )
GLN( 8 A -7 )
GLN( 8 A -6 )
PRO( 8 A -5 )
VAL( 8 A -4 )
ALA( 8 A -3 )
ILE( 8 A -2 )
SER( 8 A -1 )
SER( 8 A 0 )
MET( 9 A-120 )
GLY( 9 A-119 )
HIS( 9 A-118 )
HIS( 9 A-117 )
HIS( 9 A-116 )
HIS( 9 A-115 )
HIS( 9 A-114 )
HIS( 9 A-113 )
SER( 9 A-112 )
HIS( 9 A-111 )
MET( 9 A-110 )
ALA( 9 A-109 )
GLN( 9 A-108 )
PHE( 9 A-107 )
PRO( 9 A-106 )
THR( 9 A-105 )
PRO( 9 A-104 )
PHE( 9 A-103 )
GLY( 9 A-102 )
GLY( 9 A-101 )
SER( 9 A-100 )
LEU( 9 A -99 )
ASP( 9 A -98 )
THR( 9 A -97 )
TRP( 9 A -96 )
ALA( 9 A -95 )
ILE( 9 A -94 )
THR( 9 A -93 )
VAL( 9 A -92 )
GLU( 9 A -91 )
GLU( 9 A -90 )
ARG( 9 A -89 )
ALA( 9 A -88 )
LYS( 9 A -87 )
HIS( 9 A -86 )
ASP( 9 A -85 )
GLN( 9 A -84 )
GLN( 9 A -83 )
PHE( 9 A -82 )
HIS( 9 A -81 )
SER( 9 A -80 )
LEU( 9 A -79 )
LYS( 9 A -78 )
PRO( 9 A -77 )
ILE( 9 A -76 )
SER( 9 A -75 )
GLY( 9 A -74 )
PHE( 9 A -73 )
ILE( 9 A -72 )
THR( 9 A -71 )
GLY( 9 A -70 )
ASP( 9 A -69 )
GLN( 9 A -68 )
ALA( 9 A -67 )
ARG( 9 A -66 )
ASN( 9 A -65 )
PHE( 9 A -64 )
PHE( 9 A -63 )
PHE( 9 A -62 )
GLN( 9 A -61 )
SER( 9 A -60 )
GLY( 9 A -59 )
LEU( 9 A -58 )
PRO( 9 A -57 )
GLN( 9 A -56 )
PRO( 9 A -55 )
VAL( 9 A -54 )
LEU( 9 A -53 )
ALA( 9 A -52 )
GLN( 9 A -51 )
ILE( 9 A -50 )
TRP( 9 A -49 )
ALA( 9 A -48 )
LEU( 9 A -47 )
ALA( 9 A -46 )
ASP( 9 A -45 )
MET( 9 A -44 )
ASN( 9 A -43 )
ASN( 9 A -42 )
ASP( 9 A -41 )
GLY( 9 A -40 )
ARG( 9 A -39 )
MET( 9 A -38 )
ASP( 9 A -37 )
GLN( 9 A -36 )
VAL( 9 A -35 )
GLU( 9 A -34 )
PHE( 9 A -33 )
SER( 9 A -32 )
ILE( 9 A -31 )
ALA( 9 A -30 )
MET( 9 A -29 )
LYS( 9 A -28 )
LEU( 9 A -27 )
ILE( 9 A -26 )
LYS( 9 A -25 )
LEU( 9 A -24 )
LYS( 9 A -23 )
LEU( 9 A -22 )
GLN( 9 A -21 )
GLY( 9 A -20 )
TYR( 9 A -19 )
GLN( 9 A -18 )
LEU( 9 A -17 )
PRO( 9 A -16 )
SER( 9 A -15 )
ALA( 9 A -14 )
LEU( 9 A -13 )
PRO( 9 A -12 )
PRO( 9 A -11 )
VAL( 9 A -10 )
MET( 9 A -9 )
LYS( 9 A -8 )
GLN( 9 A -7 )
GLN( 9 A -6 )
PRO( 9 A -5 )
VAL( 9 A -4 )
ALA( 9 A -3 )
ILE( 9 A -2 )
SER( 9 A -1 )
SER( 9 A 0 )
MET( 10 A-120 )
GLY( 10 A-119 )
HIS( 10 A-118 )
HIS( 10 A-117 )
HIS( 10 A-116 )
HIS( 10 A-115 )
HIS( 10 A-114 )
HIS( 10 A-113 )
SER( 10 A-112 )
HIS( 10 A-111 )
MET( 10 A-110 )
ALA( 10 A-109 )
GLN( 10 A-108 )
PHE( 10 A-107 )
PRO( 10 A-106 )
THR( 10 A-105 )
PRO( 10 A-104 )
PHE( 10 A-103 )
GLY( 10 A-102 )
GLY( 10 A-101 )
SER( 10 A-100 )
LEU( 10 A -99 )
ASP( 10 A -98 )
THR( 10 A -97 )
TRP( 10 A -96 )
ALA( 10 A -95 )
ILE( 10 A -94 )
THR( 10 A -93 )
VAL( 10 A -92 )
GLU( 10 A -91 )
GLU( 10 A -90 )
ARG( 10 A -89 )
ALA( 10 A -88 )
LYS( 10 A -87 )
HIS( 10 A -86 )
ASP( 10 A -85 )
GLN( 10 A -84 )
GLN( 10 A -83 )
PHE( 10 A -82 )
HIS( 10 A -81 )
SER( 10 A -80 )
LEU( 10 A -79 )
LYS( 10 A -78 )
PRO( 10 A -77 )
ILE( 10 A -76 )
SER( 10 A -75 )
GLY( 10 A -74 )
PHE( 10 A -73 )
ILE( 10 A -72 )
THR( 10 A -71 )
GLY( 10 A -70 )
ASP( 10 A -69 )
GLN( 10 A -68 )
ALA( 10 A -67 )
ARG( 10 A -66 )
ASN( 10 A -65 )
PHE( 10 A -64 )
PHE( 10 A -63 )
PHE( 10 A -62 )
GLN( 10 A -61 )
SER( 10 A -60 )
GLY( 10 A -59 )
LEU( 10 A -58 )
PRO( 10 A -57 )
GLN( 10 A -56 )
PRO( 10 A -55 )
VAL( 10 A -54 )
LEU( 10 A -53 )
ALA( 10 A -52 )
GLN( 10 A -51 )
ILE( 10 A -50 )
TRP( 10 A -49 )
ALA( 10 A -48 )
LEU( 10 A -47 )
ALA( 10 A -46 )
ASP( 10 A -45 )
MET( 10 A -44 )
ASN( 10 A -43 )
ASN( 10 A -42 )
ASP( 10 A -41 )
GLY( 10 A -40 )
ARG( 10 A -39 )
MET( 10 A -38 )
ASP( 10 A -37 )
GLN( 10 A -36 )
VAL( 10 A -35 )
GLU( 10 A -34 )
PHE( 10 A -33 )
SER( 10 A -32 )
ILE( 10 A -31 )
ALA( 10 A -30 )
MET( 10 A -29 )
LYS( 10 A -28 )
LEU( 10 A -27 )
ILE( 10 A -26 )
LYS( 10 A -25 )
LEU( 10 A -24 )
LYS( 10 A -23 )
LEU( 10 A -22 )
GLN( 10 A -21 )
GLY( 10 A -20 )
TYR( 10 A -19 )
GLN( 10 A -18 )
LEU( 10 A -17 )
PRO( 10 A -16 )
SER( 10 A -15 )
ALA( 10 A -14 )
LEU( 10 A -13 )
PRO( 10 A -12 )
PRO( 10 A -11 )
VAL( 10 A -10 )
MET( 10 A -9 )
LYS( 10 A -8 )
GLN( 10 A -7 )
GLN( 10 A -6 )
PRO( 10 A -5 )
VAL( 10 A -4 )
ALA( 10 A -3 )
ILE( 10 A -2 )
SER( 10 A -1 )
SER( 10 A 0 )
MET( 11 A-120 )
GLY( 11 A-119 )
HIS( 11 A-118 )
HIS( 11 A-117 )
HIS( 11 A-116 )
HIS( 11 A-115 )
HIS( 11 A-114 )
HIS( 11 A-113 )
SER( 11 A-112 )
HIS( 11 A-111 )
MET( 11 A-110 )
ALA( 11 A-109 )
GLN( 11 A-108 )
PHE( 11 A-107 )
PRO( 11 A-106 )
THR( 11 A-105 )
PRO( 11 A-104 )
PHE( 11 A-103 )
GLY( 11 A-102 )
GLY( 11 A-101 )
SER( 11 A-100 )
LEU( 11 A -99 )
ASP( 11 A -98 )
THR( 11 A -97 )
TRP( 11 A -96 )
ALA( 11 A -95 )
ILE( 11 A -94 )
THR( 11 A -93 )
VAL( 11 A -92 )
GLU( 11 A -91 )
GLU( 11 A -90 )
ARG( 11 A -89 )
ALA( 11 A -88 )
LYS( 11 A -87 )
HIS( 11 A -86 )
ASP( 11 A -85 )
GLN( 11 A -84 )
GLN( 11 A -83 )
PHE( 11 A -82 )
HIS( 11 A -81 )
SER( 11 A -80 )
LEU( 11 A -79 )
LYS( 11 A -78 )
PRO( 11 A -77 )
ILE( 11 A -76 )
SER( 11 A -75 )
GLY( 11 A -74 )
PHE( 11 A -73 )
ILE( 11 A -72 )
THR( 11 A -71 )
GLY( 11 A -70 )
ASP( 11 A -69 )
GLN( 11 A -68 )
ALA( 11 A -67 )
ARG( 11 A -66 )
ASN( 11 A -65 )
PHE( 11 A -64 )
PHE( 11 A -63 )
PHE( 11 A -62 )
GLN( 11 A -61 )
SER( 11 A -60 )
GLY( 11 A -59 )
LEU( 11 A -58 )
PRO( 11 A -57 )
GLN( 11 A -56 )
PRO( 11 A -55 )
VAL( 11 A -54 )
LEU( 11 A -53 )
ALA( 11 A -52 )
GLN( 11 A -51 )
ILE( 11 A -50 )
TRP( 11 A -49 )
ALA( 11 A -48 )
LEU( 11 A -47 )
ALA( 11 A -46 )
ASP( 11 A -45 )
MET( 11 A -44 )
ASN( 11 A -43 )
ASN( 11 A -42 )
ASP( 11 A -41 )
GLY( 11 A -40 )
ARG( 11 A -39 )
MET( 11 A -38 )
ASP( 11 A -37 )
GLN( 11 A -36 )
VAL( 11 A -35 )
GLU( 11 A -34 )
PHE( 11 A -33 )
SER( 11 A -32 )
ILE( 11 A -31 )
ALA( 11 A -30 )
MET( 11 A -29 )
LYS( 11 A -28 )
LEU( 11 A -27 )
ILE( 11 A -26 )
LYS( 11 A -25 )
LEU( 11 A -24 )
LYS( 11 A -23 )
LEU( 11 A -22 )
GLN( 11 A -21 )
GLY( 11 A -20 )
TYR( 11 A -19 )
GLN( 11 A -18 )
LEU( 11 A -17 )
PRO( 11 A -16 )
SER( 11 A -15 )
ALA( 11 A -14 )
LEU( 11 A -13 )
PRO( 11 A -12 )
PRO( 11 A -11 )
VAL( 11 A -10 )
MET( 11 A -9 )
LYS( 11 A -8 )
GLN( 11 A -7 )
GLN( 11 A -6 )
PRO( 11 A -5 )
VAL( 11 A -4 )
ALA( 11 A -3 )
ILE( 11 A -2 )
SER( 11 A -1 )
SER( 11 A 0 )
MET( 12 A-120 )
GLY( 12 A-119 )
HIS( 12 A-118 )
HIS( 12 A-117 )
HIS( 12 A-116 )
HIS( 12 A-115 )
HIS( 12 A-114 )
HIS( 12 A-113 )
SER( 12 A-112 )
HIS( 12 A-111 )
MET( 12 A-110 )
ALA( 12 A-109 )
GLN( 12 A-108 )
PHE( 12 A-107 )
PRO( 12 A-106 )
THR( 12 A-105 )
PRO( 12 A-104 )
PHE( 12 A-103 )
GLY( 12 A-102 )
GLY( 12 A-101 )
SER( 12 A-100 )
LEU( 12 A -99 )
ASP( 12 A -98 )
THR( 12 A -97 )
TRP( 12 A -96 )
ALA( 12 A -95 )
ILE( 12 A -94 )
THR( 12 A -93 )
VAL( 12 A -92 )
GLU( 12 A -91 )
GLU( 12 A -90 )
ARG( 12 A -89 )
ALA( 12 A -88 )
LYS( 12 A -87 )
HIS( 12 A -86 )
ASP( 12 A -85 )
GLN( 12 A -84 )
GLN( 12 A -83 )
PHE( 12 A -82 )
HIS( 12 A -81 )
SER( 12 A -80 )
LEU( 12 A -79 )
LYS( 12 A -78 )
PRO( 12 A -77 )
ILE( 12 A -76 )
SER( 12 A -75 )
GLY( 12 A -74 )
PHE( 12 A -73 )
ILE( 12 A -72 )
THR( 12 A -71 )
GLY( 12 A -70 )
ASP( 12 A -69 )
GLN( 12 A -68 )
ALA( 12 A -67 )
ARG( 12 A -66 )
ASN( 12 A -65 )
PHE( 12 A -64 )
PHE( 12 A -63 )
PHE( 12 A -62 )
GLN( 12 A -61 )
SER( 12 A -60 )
GLY( 12 A -59 )
LEU( 12 A -58 )
PRO( 12 A -57 )
GLN( 12 A -56 )
PRO( 12 A -55 )
VAL( 12 A -54 )
LEU( 12 A -53 )
ALA( 12 A -52 )
GLN( 12 A -51 )
ILE( 12 A -50 )
TRP( 12 A -49 )
ALA( 12 A -48 )
LEU( 12 A -47 )
ALA( 12 A -46 )
ASP( 12 A -45 )
MET( 12 A -44 )
ASN( 12 A -43 )
ASN( 12 A -42 )
ASP( 12 A -41 )
GLY( 12 A -40 )
ARG( 12 A -39 )
MET( 12 A -38 )
ASP( 12 A -37 )
GLN( 12 A -36 )
VAL( 12 A -35 )
GLU( 12 A -34 )
PHE( 12 A -33 )
SER( 12 A -32 )
ILE( 12 A -31 )
ALA( 12 A -30 )
MET( 12 A -29 )
LYS( 12 A -28 )
LEU( 12 A -27 )
ILE( 12 A -26 )
LYS( 12 A -25 )
LEU( 12 A -24 )
LYS( 12 A -23 )
LEU( 12 A -22 )
GLN( 12 A -21 )
GLY( 12 A -20 )
TYR( 12 A -19 )
GLN( 12 A -18 )
LEU( 12 A -17 )
PRO( 12 A -16 )
SER( 12 A -15 )
ALA( 12 A -14 )
LEU( 12 A -13 )
PRO( 12 A -12 )
PRO( 12 A -11 )
VAL( 12 A -10 )
MET( 12 A -9 )
LYS( 12 A -8 )
GLN( 12 A -7 )
GLN( 12 A -6 )
PRO( 12 A -5 )
VAL( 12 A -4 )
ALA( 12 A -3 )
ILE( 12 A -2 )
SER( 12 A -1 )
SER( 12 A 0 )
MET( 13 A-120 )
GLY( 13 A-119 )
HIS( 13 A-118 )
HIS( 13 A-117 )
HIS( 13 A-116 )
HIS( 13 A-115 )
HIS( 13 A-114 )
HIS( 13 A-113 )
SER( 13 A-112 )
HIS( 13 A-111 )
MET( 13 A-110 )
ALA( 13 A-109 )
GLN( 13 A-108 )
PHE( 13 A-107 )
PRO( 13 A-106 )
THR( 13 A-105 )
PRO( 13 A-104 )
PHE( 13 A-103 )
GLY( 13 A-102 )
GLY( 13 A-101 )
SER( 13 A-100 )
LEU( 13 A -99 )
ASP( 13 A -98 )
THR( 13 A -97 )
TRP( 13 A -96 )
ALA( 13 A -95 )
ILE( 13 A -94 )
THR( 13 A -93 )
VAL( 13 A -92 )
GLU( 13 A -91 )
GLU( 13 A -90 )
ARG( 13 A -89 )
ALA( 13 A -88 )
LYS( 13 A -87 )
HIS( 13 A -86 )
ASP( 13 A -85 )
GLN( 13 A -84 )
GLN( 13 A -83 )
PHE( 13 A -82 )
HIS( 13 A -81 )
SER( 13 A -80 )
LEU( 13 A -79 )
LYS( 13 A -78 )
PRO( 13 A -77 )
ILE( 13 A -76 )
SER( 13 A -75 )
GLY( 13 A -74 )
PHE( 13 A -73 )
ILE( 13 A -72 )
THR( 13 A -71 )
GLY( 13 A -70 )
ASP( 13 A -69 )
GLN( 13 A -68 )
ALA( 13 A -67 )
ARG( 13 A -66 )
ASN( 13 A -65 )
PHE( 13 A -64 )
PHE( 13 A -63 )
PHE( 13 A -62 )
GLN( 13 A -61 )
SER( 13 A -60 )
GLY( 13 A -59 )
LEU( 13 A -58 )
PRO( 13 A -57 )
GLN( 13 A -56 )
PRO( 13 A -55 )
VAL( 13 A -54 )
LEU( 13 A -53 )
ALA( 13 A -52 )
GLN( 13 A -51 )
ILE( 13 A -50 )
TRP( 13 A -49 )
ALA( 13 A -48 )
LEU( 13 A -47 )
ALA( 13 A -46 )
ASP( 13 A -45 )
MET( 13 A -44 )
ASN( 13 A -43 )
ASN( 13 A -42 )
ASP( 13 A -41 )
GLY( 13 A -40 )
ARG( 13 A -39 )
MET( 13 A -38 )
ASP( 13 A -37 )
GLN( 13 A -36 )
VAL( 13 A -35 )
GLU( 13 A -34 )
PHE( 13 A -33 )
SER( 13 A -32 )
ILE( 13 A -31 )
ALA( 13 A -30 )
MET( 13 A -29 )
LYS( 13 A -28 )
LEU( 13 A -27 )
ILE( 13 A -26 )
LYS( 13 A -25 )
LEU( 13 A -24 )
LYS( 13 A -23 )
LEU( 13 A -22 )
GLN( 13 A -21 )
GLY( 13 A -20 )
TYR( 13 A -19 )
GLN( 13 A -18 )
LEU( 13 A -17 )
PRO( 13 A -16 )
SER( 13 A -15 )
ALA( 13 A -14 )
LEU( 13 A -13 )
PRO( 13 A -12 )
PRO( 13 A -11 )
VAL( 13 A -10 )
MET( 13 A -9 )
LYS( 13 A -8 )
GLN( 13 A -7 )
GLN( 13 A -6 )
PRO( 13 A -5 )
VAL( 13 A -4 )
ALA( 13 A -3 )
ILE( 13 A -2 )
SER( 13 A -1 )
SER( 13 A 0 )
MET( 14 A-120 )
GLY( 14 A-119 )
HIS( 14 A-118 )
HIS( 14 A-117 )
HIS( 14 A-116 )
HIS( 14 A-115 )
HIS( 14 A-114 )
HIS( 14 A-113 )
SER( 14 A-112 )
HIS( 14 A-111 )
MET( 14 A-110 )
ALA( 14 A-109 )
GLN( 14 A-108 )
PHE( 14 A-107 )
PRO( 14 A-106 )
THR( 14 A-105 )
PRO( 14 A-104 )
PHE( 14 A-103 )
GLY( 14 A-102 )
GLY( 14 A-101 )
SER( 14 A-100 )
LEU( 14 A -99 )
ASP( 14 A -98 )
THR( 14 A -97 )
TRP( 14 A -96 )
ALA( 14 A -95 )
ILE( 14 A -94 )
THR( 14 A -93 )
VAL( 14 A -92 )
GLU( 14 A -91 )
GLU( 14 A -90 )
ARG( 14 A -89 )
ALA( 14 A -88 )
LYS( 14 A -87 )
HIS( 14 A -86 )
ASP( 14 A -85 )
GLN( 14 A -84 )
GLN( 14 A -83 )
PHE( 14 A -82 )
HIS( 14 A -81 )
SER( 14 A -80 )
LEU( 14 A -79 )
LYS( 14 A -78 )
PRO( 14 A -77 )
ILE( 14 A -76 )
SER( 14 A -75 )
GLY( 14 A -74 )
PHE( 14 A -73 )
ILE( 14 A -72 )
THR( 14 A -71 )
GLY( 14 A -70 )
ASP( 14 A -69 )
GLN( 14 A -68 )
ALA( 14 A -67 )
ARG( 14 A -66 )
ASN( 14 A -65 )
PHE( 14 A -64 )
PHE( 14 A -63 )
PHE( 14 A -62 )
GLN( 14 A -61 )
SER( 14 A -60 )
GLY( 14 A -59 )
LEU( 14 A -58 )
PRO( 14 A -57 )
GLN( 14 A -56 )
PRO( 14 A -55 )
VAL( 14 A -54 )
LEU( 14 A -53 )
ALA( 14 A -52 )
GLN( 14 A -51 )
ILE( 14 A -50 )
TRP( 14 A -49 )
ALA( 14 A -48 )
LEU( 14 A -47 )
ALA( 14 A -46 )
ASP( 14 A -45 )
MET( 14 A -44 )
ASN( 14 A -43 )
ASN( 14 A -42 )
ASP( 14 A -41 )
GLY( 14 A -40 )
ARG( 14 A -39 )
MET( 14 A -38 )
ASP( 14 A -37 )
GLN( 14 A -36 )
VAL( 14 A -35 )
GLU( 14 A -34 )
PHE( 14 A -33 )
SER( 14 A -32 )
ILE( 14 A -31 )
ALA( 14 A -30 )
MET( 14 A -29 )
LYS( 14 A -28 )
LEU( 14 A -27 )
ILE( 14 A -26 )
LYS( 14 A -25 )
LEU( 14 A -24 )
LYS( 14 A -23 )
LEU( 14 A -22 )
GLN( 14 A -21 )
GLY( 14 A -20 )
TYR( 14 A -19 )
GLN( 14 A -18 )
LEU( 14 A -17 )
PRO( 14 A -16 )
SER( 14 A -15 )
ALA( 14 A -14 )
LEU( 14 A -13 )
PRO( 14 A -12 )
PRO( 14 A -11 )
VAL( 14 A -10 )
MET( 14 A -9 )
LYS( 14 A -8 )
GLN( 14 A -7 )
GLN( 14 A -6 )
PRO( 14 A -5 )
VAL( 14 A -4 )
ALA( 14 A -3 )
ILE( 14 A -2 )
SER( 14 A -1 )
SER( 14 A 0 )
MET( 15 A-120 )
GLY( 15 A-119 )
HIS( 15 A-118 )
HIS( 15 A-117 )
HIS( 15 A-116 )
HIS( 15 A-115 )
HIS( 15 A-114 )
HIS( 15 A-113 )
SER( 15 A-112 )
HIS( 15 A-111 )
MET( 15 A-110 )
ALA( 15 A-109 )
GLN( 15 A-108 )
PHE( 15 A-107 )
PRO( 15 A-106 )
THR( 15 A-105 )
PRO( 15 A-104 )
PHE( 15 A-103 )
GLY( 15 A-102 )
GLY( 15 A-101 )
SER( 15 A-100 )
LEU( 15 A -99 )
ASP( 15 A -98 )
THR( 15 A -97 )
TRP( 15 A -96 )
ALA( 15 A -95 )
ILE( 15 A -94 )
THR( 15 A -93 )
VAL( 15 A -92 )
GLU( 15 A -91 )
GLU( 15 A -90 )
ARG( 15 A -89 )
ALA( 15 A -88 )
LYS( 15 A -87 )
HIS( 15 A -86 )
ASP( 15 A -85 )
GLN( 15 A -84 )
GLN( 15 A -83 )
PHE( 15 A -82 )
HIS( 15 A -81 )
SER( 15 A -80 )
LEU( 15 A -79 )
LYS( 15 A -78 )
PRO( 15 A -77 )
ILE( 15 A -76 )
SER( 15 A -75 )
GLY( 15 A -74 )
PHE( 15 A -73 )
ILE( 15 A -72 )
THR( 15 A -71 )
GLY( 15 A -70 )
ASP( 15 A -69 )
GLN( 15 A -68 )
ALA( 15 A -67 )
ARG( 15 A -66 )
ASN( 15 A -65 )
PHE( 15 A -64 )
PHE( 15 A -63 )
PHE( 15 A -62 )
GLN( 15 A -61 )
SER( 15 A -60 )
GLY( 15 A -59 )
LEU( 15 A -58 )
PRO( 15 A -57 )
GLN( 15 A -56 )
PRO( 15 A -55 )
VAL( 15 A -54 )
LEU( 15 A -53 )
ALA( 15 A -52 )
GLN( 15 A -51 )
ILE( 15 A -50 )
TRP( 15 A -49 )
ALA( 15 A -48 )
LEU( 15 A -47 )
ALA( 15 A -46 )
ASP( 15 A -45 )
MET( 15 A -44 )
ASN( 15 A -43 )
ASN( 15 A -42 )
ASP( 15 A -41 )
GLY( 15 A -40 )
ARG( 15 A -39 )
MET( 15 A -38 )
ASP( 15 A -37 )
GLN( 15 A -36 )
VAL( 15 A -35 )
GLU( 15 A -34 )
PHE( 15 A -33 )
SER( 15 A -32 )
ILE( 15 A -31 )
ALA( 15 A -30 )
MET( 15 A -29 )
LYS( 15 A -28 )
LEU( 15 A -27 )
ILE( 15 A -26 )
LYS( 15 A -25 )
LEU( 15 A -24 )
LYS( 15 A -23 )
LEU( 15 A -22 )
GLN( 15 A -21 )
GLY( 15 A -20 )
TYR( 15 A -19 )
GLN( 15 A -18 )
LEU( 15 A -17 )
PRO( 15 A -16 )
SER( 15 A -15 )
ALA( 15 A -14 )
LEU( 15 A -13 )
PRO( 15 A -12 )
PRO( 15 A -11 )
VAL( 15 A -10 )
MET( 15 A -9 )
LYS( 15 A -8 )
GLN( 15 A -7 )
GLN( 15 A -6 )
PRO( 15 A -5 )
VAL( 15 A -4 )
ALA( 15 A -3 )
ILE( 15 A -2 )
SER( 15 A -1 )
SER( 15 A 0 )
MET( 16 A-120 )
GLY( 16 A-119 )
HIS( 16 A-118 )
HIS( 16 A-117 )
HIS( 16 A-116 )
HIS( 16 A-115 )
HIS( 16 A-114 )
HIS( 16 A-113 )
SER( 16 A-112 )
HIS( 16 A-111 )
MET( 16 A-110 )
ALA( 16 A-109 )
GLN( 16 A-108 )
PHE( 16 A-107 )
PRO( 16 A-106 )
THR( 16 A-105 )
PRO( 16 A-104 )
PHE( 16 A-103 )
GLY( 16 A-102 )
GLY( 16 A-101 )
SER( 16 A-100 )
LEU( 16 A -99 )
ASP( 16 A -98 )
THR( 16 A -97 )
TRP( 16 A -96 )
ALA( 16 A -95 )
ILE( 16 A -94 )
THR( 16 A -93 )
VAL( 16 A -92 )
GLU( 16 A -91 )
GLU( 16 A -90 )
ARG( 16 A -89 )
ALA( 16 A -88 )
LYS( 16 A -87 )
HIS( 16 A -86 )
ASP( 16 A -85 )
GLN( 16 A -84 )
GLN( 16 A -83 )
PHE( 16 A -82 )
HIS( 16 A -81 )
SER( 16 A -80 )
LEU( 16 A -79 )
LYS( 16 A -78 )
PRO( 16 A -77 )
ILE( 16 A -76 )
SER( 16 A -75 )
GLY( 16 A -74 )
PHE( 16 A -73 )
ILE( 16 A -72 )
THR( 16 A -71 )
GLY( 16 A -70 )
ASP( 16 A -69 )
GLN( 16 A -68 )
ALA( 16 A -67 )
ARG( 16 A -66 )
ASN( 16 A -65 )
PHE( 16 A -64 )
PHE( 16 A -63 )
PHE( 16 A -62 )
GLN( 16 A -61 )
SER( 16 A -60 )
GLY( 16 A -59 )
LEU( 16 A -58 )
PRO( 16 A -57 )
GLN( 16 A -56 )
PRO( 16 A -55 )
VAL( 16 A -54 )
LEU( 16 A -53 )
ALA( 16 A -52 )
GLN( 16 A -51 )
ILE( 16 A -50 )
TRP( 16 A -49 )
ALA( 16 A -48 )
LEU( 16 A -47 )
ALA( 16 A -46 )
ASP( 16 A -45 )
MET( 16 A -44 )
ASN( 16 A -43 )
ASN( 16 A -42 )
ASP( 16 A -41 )
GLY( 16 A -40 )
ARG( 16 A -39 )
MET( 16 A -38 )
ASP( 16 A -37 )
GLN( 16 A -36 )
VAL( 16 A -35 )
GLU( 16 A -34 )
PHE( 16 A -33 )
SER( 16 A -32 )
ILE( 16 A -31 )
ALA( 16 A -30 )
MET( 16 A -29 )
LYS( 16 A -28 )
LEU( 16 A -27 )
ILE( 16 A -26 )
LYS( 16 A -25 )
LEU( 16 A -24 )
LYS( 16 A -23 )
LEU( 16 A -22 )
GLN( 16 A -21 )
GLY( 16 A -20 )
TYR( 16 A -19 )
GLN( 16 A -18 )
LEU( 16 A -17 )
PRO( 16 A -16 )
SER( 16 A -15 )
ALA( 16 A -14 )
LEU( 16 A -13 )
PRO( 16 A -12 )
PRO( 16 A -11 )
VAL( 16 A -10 )
MET( 16 A -9 )
LYS( 16 A -8 )
GLN( 16 A -7 )
GLN( 16 A -6 )
PRO( 16 A -5 )
VAL( 16 A -4 )
ALA( 16 A -3 )
ILE( 16 A -2 )
SER( 16 A -1 )
SER( 16 A 0 )
MET( 17 A-120 )
GLY( 17 A-119 )
HIS( 17 A-118 )
HIS( 17 A-117 )
HIS( 17 A-116 )
HIS( 17 A-115 )
HIS( 17 A-114 )
HIS( 17 A-113 )
SER( 17 A-112 )
HIS( 17 A-111 )
MET( 17 A-110 )
ALA( 17 A-109 )
GLN( 17 A-108 )
PHE( 17 A-107 )
PRO( 17 A-106 )
THR( 17 A-105 )
PRO( 17 A-104 )
PHE( 17 A-103 )
GLY( 17 A-102 )
GLY( 17 A-101 )
SER( 17 A-100 )
LEU( 17 A -99 )
ASP( 17 A -98 )
THR( 17 A -97 )
TRP( 17 A -96 )
ALA( 17 A -95 )
ILE( 17 A -94 )
THR( 17 A -93 )
VAL( 17 A -92 )
GLU( 17 A -91 )
GLU( 17 A -90 )
ARG( 17 A -89 )
ALA( 17 A -88 )
LYS( 17 A -87 )
HIS( 17 A -86 )
ASP( 17 A -85 )
GLN( 17 A -84 )
GLN( 17 A -83 )
PHE( 17 A -82 )
HIS( 17 A -81 )
SER( 17 A -80 )
LEU( 17 A -79 )
LYS( 17 A -78 )
PRO( 17 A -77 )
ILE( 17 A -76 )
SER( 17 A -75 )
GLY( 17 A -74 )
PHE( 17 A -73 )
ILE( 17 A -72 )
THR( 17 A -71 )
GLY( 17 A -70 )
ASP( 17 A -69 )
GLN( 17 A -68 )
ALA( 17 A -67 )
ARG( 17 A -66 )
ASN( 17 A -65 )
PHE( 17 A -64 )
PHE( 17 A -63 )
PHE( 17 A -62 )
GLN( 17 A -61 )
SER( 17 A -60 )
GLY( 17 A -59 )
LEU( 17 A -58 )
PRO( 17 A -57 )
GLN( 17 A -56 )
PRO( 17 A -55 )
VAL( 17 A -54 )
LEU( 17 A -53 )
ALA( 17 A -52 )
GLN( 17 A -51 )
ILE( 17 A -50 )
TRP( 17 A -49 )
ALA( 17 A -48 )
LEU( 17 A -47 )
ALA( 17 A -46 )
ASP( 17 A -45 )
MET( 17 A -44 )
ASN( 17 A -43 )
ASN( 17 A -42 )
ASP( 17 A -41 )
GLY( 17 A -40 )
ARG( 17 A -39 )
MET( 17 A -38 )
ASP( 17 A -37 )
GLN( 17 A -36 )
VAL( 17 A -35 )
GLU( 17 A -34 )
PHE( 17 A -33 )
SER( 17 A -32 )
ILE( 17 A -31 )
ALA( 17 A -30 )
MET( 17 A -29 )
LYS( 17 A -28 )
LEU( 17 A -27 )
ILE( 17 A -26 )
LYS( 17 A -25 )
LEU( 17 A -24 )
LYS( 17 A -23 )
LEU( 17 A -22 )
GLN( 17 A -21 )
GLY( 17 A -20 )
TYR( 17 A -19 )
GLN( 17 A -18 )
LEU( 17 A -17 )
PRO( 17 A -16 )
SER( 17 A -15 )
ALA( 17 A -14 )
LEU( 17 A -13 )
PRO( 17 A -12 )
PRO( 17 A -11 )
VAL( 17 A -10 )
MET( 17 A -9 )
LYS( 17 A -8 )
GLN( 17 A -7 )
GLN( 17 A -6 )
PRO( 17 A -5 )
VAL( 17 A -4 )
ALA( 17 A -3 )
ILE( 17 A -2 )
SER( 17 A -1 )
SER( 17 A 0 )
MET( 18 A-120 )
GLY( 18 A-119 )
HIS( 18 A-118 )
HIS( 18 A-117 )
HIS( 18 A-116 )
HIS( 18 A-115 )
HIS( 18 A-114 )
HIS( 18 A-113 )
SER( 18 A-112 )
HIS( 18 A-111 )
MET( 18 A-110 )
ALA( 18 A-109 )
GLN( 18 A-108 )
PHE( 18 A-107 )
PRO( 18 A-106 )
THR( 18 A-105 )
PRO( 18 A-104 )
PHE( 18 A-103 )
GLY( 18 A-102 )
GLY( 18 A-101 )
SER( 18 A-100 )
LEU( 18 A -99 )
ASP( 18 A -98 )
THR( 18 A -97 )
TRP( 18 A -96 )
ALA( 18 A -95 )
ILE( 18 A -94 )
THR( 18 A -93 )
VAL( 18 A -92 )
GLU( 18 A -91 )
GLU( 18 A -90 )
ARG( 18 A -89 )
ALA( 18 A -88 )
LYS( 18 A -87 )
HIS( 18 A -86 )
ASP( 18 A -85 )
GLN( 18 A -84 )
GLN( 18 A -83 )
PHE( 18 A -82 )
HIS( 18 A -81 )
SER( 18 A -80 )
LEU( 18 A -79 )
LYS( 18 A -78 )
PRO( 18 A -77 )
ILE( 18 A -76 )
SER( 18 A -75 )
GLY( 18 A -74 )
PHE( 18 A -73 )
ILE( 18 A -72 )
THR( 18 A -71 )
GLY( 18 A -70 )
ASP( 18 A -69 )
GLN( 18 A -68 )
ALA( 18 A -67 )
ARG( 18 A -66 )
ASN( 18 A -65 )
PHE( 18 A -64 )
PHE( 18 A -63 )
PHE( 18 A -62 )
GLN( 18 A -61 )
SER( 18 A -60 )
GLY( 18 A -59 )
LEU( 18 A -58 )
PRO( 18 A -57 )
GLN( 18 A -56 )
PRO( 18 A -55 )
VAL( 18 A -54 )
LEU( 18 A -53 )
ALA( 18 A -52 )
GLN( 18 A -51 )
ILE( 18 A -50 )
TRP( 18 A -49 )
ALA( 18 A -48 )
LEU( 18 A -47 )
ALA( 18 A -46 )
ASP( 18 A -45 )
MET( 18 A -44 )
ASN( 18 A -43 )
ASN( 18 A -42 )
ASP( 18 A -41 )
GLY( 18 A -40 )
ARG( 18 A -39 )
MET( 18 A -38 )
ASP( 18 A -37 )
GLN( 18 A -36 )
VAL( 18 A -35 )
GLU( 18 A -34 )
PHE( 18 A -33 )
SER( 18 A -32 )
ILE( 18 A -31 )
ALA( 18 A -30 )
MET( 18 A -29 )
LYS( 18 A -28 )
LEU( 18 A -27 )
ILE( 18 A -26 )
LYS( 18 A -25 )
LEU( 18 A -24 )
LYS( 18 A -23 )
LEU( 18 A -22 )
GLN( 18 A -21 )
GLY( 18 A -20 )
TYR( 18 A -19 )
GLN( 18 A -18 )
LEU( 18 A -17 )
PRO( 18 A -16 )
SER( 18 A -15 )
ALA( 18 A -14 )
LEU( 18 A -13 )
PRO( 18 A -12 )
PRO( 18 A -11 )
VAL( 18 A -10 )
MET( 18 A -9 )
LYS( 18 A -8 )
GLN( 18 A -7 )
GLN( 18 A -6 )
PRO( 18 A -5 )
VAL( 18 A -4 )
ALA( 18 A -3 )
ILE( 18 A -2 )
SER( 18 A -1 )
SER( 18 A 0 )
MET( 19 A-120 )
GLY( 19 A-119 )
HIS( 19 A-118 )
HIS( 19 A-117 )
HIS( 19 A-116 )
HIS( 19 A-115 )
HIS( 19 A-114 )
HIS( 19 A-113 )
SER( 19 A-112 )
HIS( 19 A-111 )
MET( 19 A-110 )
ALA( 19 A-109 )
GLN( 19 A-108 )
PHE( 19 A-107 )
PRO( 19 A-106 )
THR( 19 A-105 )
PRO( 19 A-104 )
PHE( 19 A-103 )
GLY( 19 A-102 )
GLY( 19 A-101 )
SER( 19 A-100 )
LEU( 19 A -99 )
ASP( 19 A -98 )
THR( 19 A -97 )
TRP( 19 A -96 )
ALA( 19 A -95 )
ILE( 19 A -94 )
THR( 19 A -93 )
VAL( 19 A -92 )
GLU( 19 A -91 )
GLU( 19 A -90 )
ARG( 19 A -89 )
ALA( 19 A -88 )
LYS( 19 A -87 )
HIS( 19 A -86 )
ASP( 19 A -85 )
GLN( 19 A -84 )
GLN( 19 A -83 )
PHE( 19 A -82 )
HIS( 19 A -81 )
SER( 19 A -80 )
LEU( 19 A -79 )
LYS( 19 A -78 )
PRO( 19 A -77 )
ILE( 19 A -76 )
SER( 19 A -75 )
GLY( 19 A -74 )
PHE( 19 A -73 )
ILE( 19 A -72 )
THR( 19 A -71 )
GLY( 19 A -70 )
ASP( 19 A -69 )
GLN( 19 A -68 )
ALA( 19 A -67 )
ARG( 19 A -66 )
ASN( 19 A -65 )
PHE( 19 A -64 )
PHE( 19 A -63 )
PHE( 19 A -62 )
GLN( 19 A -61 )
SER( 19 A -60 )
GLY( 19 A -59 )
LEU( 19 A -58 )
PRO( 19 A -57 )
GLN( 19 A -56 )
PRO( 19 A -55 )
VAL( 19 A -54 )
LEU( 19 A -53 )
ALA( 19 A -52 )
GLN( 19 A -51 )
ILE( 19 A -50 )
TRP( 19 A -49 )
ALA( 19 A -48 )
LEU( 19 A -47 )
ALA( 19 A -46 )
ASP( 19 A -45 )
MET( 19 A -44 )
ASN( 19 A -43 )
ASN( 19 A -42 )
ASP( 19 A -41 )
GLY( 19 A -40 )
ARG( 19 A -39 )
MET( 19 A -38 )
ASP( 19 A -37 )
GLN( 19 A -36 )
VAL( 19 A -35 )
GLU( 19 A -34 )
PHE( 19 A -33 )
SER( 19 A -32 )
ILE( 19 A -31 )
ALA( 19 A -30 )
MET( 19 A -29 )
LYS( 19 A -28 )
LEU( 19 A -27 )
ILE( 19 A -26 )
LYS( 19 A -25 )
LEU( 19 A -24 )
LYS( 19 A -23 )
LEU( 19 A -22 )
GLN( 19 A -21 )
GLY( 19 A -20 )
TYR( 19 A -19 )
GLN( 19 A -18 )
LEU( 19 A -17 )
PRO( 19 A -16 )
SER( 19 A -15 )
ALA( 19 A -14 )
LEU( 19 A -13 )
PRO( 19 A -12 )
PRO( 19 A -11 )
VAL( 19 A -10 )
MET( 19 A -9 )
LYS( 19 A -8 )
GLN( 19 A -7 )
GLN( 19 A -6 )
PRO( 19 A -5 )
VAL( 19 A -4 )
ALA( 19 A -3 )
ILE( 19 A -2 )
SER( 19 A -1 )
SER( 19 A 0 )
MET( 20 A-120 )
GLY( 20 A-119 )
HIS( 20 A-118 )
HIS( 20 A-117 )
HIS( 20 A-116 )
HIS( 20 A-115 )
HIS( 20 A-114 )
HIS( 20 A-113 )
SER( 20 A-112 )
HIS( 20 A-111 )
MET( 20 A-110 )
ALA( 20 A-109 )
GLN( 20 A-108 )
PHE( 20 A-107 )
PRO( 20 A-106 )
THR( 20 A-105 )
PRO( 20 A-104 )
PHE( 20 A-103 )
GLY( 20 A-102 )
GLY( 20 A-101 )
SER( 20 A-100 )
LEU( 20 A -99 )
ASP( 20 A -98 )
THR( 20 A -97 )
TRP( 20 A -96 )
ALA( 20 A -95 )
ILE( 20 A -94 )
THR( 20 A -93 )
VAL( 20 A -92 )
GLU( 20 A -91 )
GLU( 20 A -90 )
ARG( 20 A -89 )
ALA( 20 A -88 )
LYS( 20 A -87 )
HIS( 20 A -86 )
ASP( 20 A -85 )
GLN( 20 A -84 )
GLN( 20 A -83 )
PHE( 20 A -82 )
HIS( 20 A -81 )
SER( 20 A -80 )
LEU( 20 A -79 )
LYS( 20 A -78 )
PRO( 20 A -77 )
ILE( 20 A -76 )
SER( 20 A -75 )
GLY( 20 A -74 )
PHE( 20 A -73 )
ILE( 20 A -72 )
THR( 20 A -71 )
GLY( 20 A -70 )
ASP( 20 A -69 )
GLN( 20 A -68 )
ALA( 20 A -67 )
ARG( 20 A -66 )
ASN( 20 A -65 )
PHE( 20 A -64 )
PHE( 20 A -63 )
PHE( 20 A -62 )
GLN( 20 A -61 )
SER( 20 A -60 )
GLY( 20 A -59 )
LEU( 20 A -58 )
PRO( 20 A -57 )
GLN( 20 A -56 )
PRO( 20 A -55 )
VAL( 20 A -54 )
LEU( 20 A -53 )
ALA( 20 A -52 )
GLN( 20 A -51 )
ILE( 20 A -50 )
TRP( 20 A -49 )
ALA( 20 A -48 )
LEU( 20 A -47 )
ALA( 20 A -46 )
ASP( 20 A -45 )
MET( 20 A -44 )
ASN( 20 A -43 )
ASN( 20 A -42 )
ASP( 20 A -41 )
GLY( 20 A -40 )
ARG( 20 A -39 )
MET( 20 A -38 )
ASP( 20 A -37 )
GLN( 20 A -36 )
VAL( 20 A -35 )
GLU( 20 A -34 )
PHE( 20 A -33 )
SER( 20 A -32 )
ILE( 20 A -31 )
ALA( 20 A -30 )
MET( 20 A -29 )
LYS( 20 A -28 )
LEU( 20 A -27 )
ILE( 20 A -26 )
LYS( 20 A -25 )
LEU( 20 A -24 )
LYS( 20 A -23 )
LEU( 20 A -22 )
GLN( 20 A -21 )
GLY( 20 A -20 )
TYR( 20 A -19 )
GLN( 20 A -18 )
LEU( 20 A -17 )
PRO( 20 A -16 )
SER( 20 A -15 )
ALA( 20 A -14 )
LEU( 20 A -13 )
PRO( 20 A -12 )
PRO( 20 A -11 )
VAL( 20 A -10 )
MET( 20 A -9 )
LYS( 20 A -8 )
GLN( 20 A -7 )
GLN( 20 A -6 )
PRO( 20 A -5 )
VAL( 20 A -4 )
ALA( 20 A -3 )
ILE( 20 A -2 )
SER( 20 A -1 )
SER( 20 A 0 )
PDB Chain_ID: A
1 15
SEQRES: MET GLY HIS HIS HIS HIS HIS HIS SER HIS MET ALA GLN PHE PRO
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
16 30
SEQRES: THR PRO PHE GLY GLY SER LEU ASP THR TRP ALA ILE THR VAL GLU
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
31 45
SEQRES: GLU ARG ALA LYS HIS ASP GLN GLN PHE HIS SER LEU LYS PRO ILE
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
46 60
SEQRES: SER GLY PHE ILE THR GLY ASP GLN ALA ARG ASN PHE PHE PHE GLN
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
61 75
SEQRES: SER GLY LEU PRO GLN PRO VAL LEU ALA GLN ILE TRP ALA LEU ALA
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
76 90
SEQRES: ASP MET ASN ASN ASP GLY ARG MET ASP GLN VAL GLU PHE SER ILE
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
91 105
SEQRES: ALA MET LYS LEU ILE LYS LEU LYS LEU GLN GLY TYR GLN LEU PRO
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
106 120
SEQRES: SER ALA LEU PRO PRO VAL MET LYS GLN GLN PRO VAL ALA ILE SER
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
121 135
SEQRES: SER MET GLY HIS HIS HIS HIS HIS HIS SER HIS MET ALA GLN PHE
COORDS: ... MET GLY HIS HIS HIS HIS HIS HIS SER HIS MET ALA GLN PHE
1 14
136 150
SEQRES: PRO THR PRO PHE GLY GLY SER LEU ASP THR TRP ALA ILE THR VAL
COORDS: PRO THR PRO PHE GLY GLY SER LEU ASP THR TRP ALA ILE THR VAL
15 29
151 165
SEQRES: GLU GLU ARG ALA LYS HIS ASP GLN GLN PHE HIS SER LEU LYS PRO
COORDS: GLU GLU ARG ALA LYS HIS ASP GLN GLN PHE HIS SER LEU LYS PRO
30 44
166 180
SEQRES: ILE SER GLY PHE ILE THR GLY ASP GLN ALA ARG ASN PHE PHE PHE
COORDS: ILE SER GLY PHE ILE THR GLY ASP GLN ALA ARG ASN PHE PHE PHE
45 59
181 195
SEQRES: GLN SER GLY LEU PRO GLN PRO VAL LEU ALA GLN ILE TRP ALA LEU
COORDS: GLN SER GLY LEU PRO GLN PRO VAL LEU ALA GLN ILE TRP ALA LEU
60 74
196 210
SEQRES: ALA ASP MET ASN ASN ASP GLY ARG MET ASP GLN VAL GLU PHE SER
COORDS: ALA ASP MET ASN ASN ASP GLY ARG MET ASP GLN VAL GLU PHE SER
75 89
211 225
SEQRES: ILE ALA MET LYS LEU ILE LYS LEU LYS LEU GLN GLY TYR GLN LEU
COORDS: ILE ALA MET LYS LEU ILE LYS LEU LYS LEU GLN GLY TYR GLN LEU
90 104
226 240
SEQRES: PRO SER ALA LEU PRO PRO VAL MET LYS GLN GLN PRO VAL ALA ILE
COORDS: PRO SER ALA LEU PRO PRO VAL MET LYS GLN GLN PRO VAL ALA ILE
105 119
241 242
SEQRES: SER SER
COORDS: SER SER
120 121
==> The following residues have missing atoms:
RES MOD#C SEQ ATOMS
HIS( 1 A 3) HE2
HIS( 1 A 4) HE2
HIS( 1 A 5) HE2
HIS( 1 A 6) HD1
HIS( 1 A 7) HE2
HIS( 1 A 8) HD1
HIS( 1 A 10) HE2
ASP( 1 A 23) HD2
GLU( 1 A 30) HE2
GLU( 1 A 31) HE2
HIS( 1 A 35) HE2
ASP( 1 A 36) HD2
HIS( 1 A 40) HE2
ASP( 1 A 52) HD2
ASP( 1 A 76) HD2
ASP( 1 A 80) HD2
ASP( 1 A 84) HD2
GLU( 1 A 87) HE2
HIS( 2 A 3) HE2
HIS( 2 A 4) HE2
HIS( 2 A 5) HD1
HIS( 2 A 6) HD1
HIS( 2 A 7) HE2
HIS( 2 A 8) HE2
HIS( 2 A 10) HE2
ASP( 2 A 23) HD2
GLU( 2 A 30) HE2
GLU( 2 A 31) HE2
HIS( 2 A 35) HE2
ASP( 2 A 36) HD2
HIS( 2 A 40) HE2
ASP( 2 A 52) HD2
ASP( 2 A 76) HD2
ASP( 2 A 80) HD2
ASP( 2 A 84) HD2
GLU( 2 A 87) HE2
HIS( 3 A 3) HD1
HIS( 3 A 4) HE2
HIS( 3 A 5) HE2
HIS( 3 A 6) HD1
HIS( 3 A 7) HD1
HIS( 3 A 8) HE2
HIS( 3 A 10) HD1
ASP( 3 A 23) HD2
GLU( 3 A 30) HE2
GLU( 3 A 31) HE2
HIS( 3 A 35) HE2
ASP( 3 A 36) HD2
HIS( 3 A 40) HD1
ASP( 3 A 52) HD2
ASP( 3 A 76) HD2
ASP( 3 A 80) HD2
ASP( 3 A 84) HD2
GLU( 3 A 87) HE2
HIS( 4 A 3) HD1
HIS( 4 A 4) HE2
HIS( 4 A 5) HE2
HIS( 4 A 6) HE2
HIS( 4 A 7) HD1
HIS( 4 A 8) HD1
HIS( 4 A 10) HE2
ASP( 4 A 23) HD2
GLU( 4 A 30) HE2
GLU( 4 A 31) HE2
HIS( 4 A 35) HE2
ASP( 4 A 36) HD2
HIS( 4 A 40) HE2
ASP( 4 A 52) HD2
ASP( 4 A 76) HD2
ASP( 4 A 80) HD2
ASP( 4 A 84) HD2
GLU( 4 A 87) HE2
HIS( 5 A 3) HD1
HIS( 5 A 4) HE2
HIS( 5 A 5) HE2
HIS( 5 A 6) HE2
HIS( 5 A 7) HE2
HIS( 5 A 8) HD1
HIS( 5 A 10) HD1
ASP( 5 A 23) HD2
GLU( 5 A 30) HE2
GLU( 5 A 31) HE2
HIS( 5 A 35) HE2
ASP( 5 A 36) HD2
HIS( 5 A 40) HD1
ASP( 5 A 52) HD2
ASP( 5 A 76) HD2
ASP( 5 A 80) HD2
ASP( 5 A 84) HD2
GLU( 5 A 87) HE2
HIS( 6 A 3) HD1
HIS( 6 A 4) HD1
HIS( 6 A 5) HE2
HIS( 6 A 6) HE2
HIS( 6 A 7) HD1
HIS( 6 A 8) HD1
HIS( 6 A 10) HE2
ASP( 6 A 23) HD2
GLU( 6 A 30) HE2
GLU( 6 A 31) HE2
HIS( 6 A 35) HE2
ASP( 6 A 36) HD2
HIS( 6 A 40) HE2
ASP( 6 A 52) HD2
ASP( 6 A 76) HD2
ASP( 6 A 80) HD2
ASP( 6 A 84) HD2
GLU( 6 A 87) HE2
HIS( 7 A 3) HE2
HIS( 7 A 4) HD1
HIS( 7 A 5) HE2
HIS( 7 A 6) HE2
HIS( 7 A 7) HE2
HIS( 7 A 8) HE2
HIS( 7 A 10) HE2
ASP( 7 A 23) HD2
GLU( 7 A 30) HE2
GLU( 7 A 31) HE2
HIS( 7 A 35) HD1
ASP( 7 A 36) HD2
HIS( 7 A 40) HE2
ASP( 7 A 52) HD2
ASP( 7 A 76) HD2
ASP( 7 A 80) HD2
ASP( 7 A 84) HD2
GLU( 7 A 87) HE2
HIS( 8 A 3) HD1
HIS( 8 A 4) HD1
HIS( 8 A 5) HE2
HIS( 8 A 6) HD1
HIS( 8 A 7) HE2
HIS( 8 A 8) HE2
HIS( 8 A 10) HE2
ASP( 8 A 23) HD2
GLU( 8 A 30) HE2
GLU( 8 A 31) HE2
HIS( 8 A 35) HD1
ASP( 8 A 36) HD2
HIS( 8 A 40) HE2
ASP( 8 A 52) HD2
ASP( 8 A 76) HD2
ASP( 8 A 80) HD2
ASP( 8 A 84) HD2
GLU( 8 A 87) HE2
HIS( 9 A 3) HD1
HIS( 9 A 4) HE2
HIS( 9 A 5) HE2
HIS( 9 A 6) HD1
HIS( 9 A 7) HD1
HIS( 9 A 8) HD1
HIS( 9 A 10) HD1
ASP( 9 A 23) HD2
GLU( 9 A 30) HE2
GLU( 9 A 31) HE2
HIS( 9 A 35) HE2
ASP( 9 A 36) HD2
HIS( 9 A 40) HE2
ASP( 9 A 52) HD2
ASP( 9 A 76) HD2
ASP( 9 A 80) HD2
ASP( 9 A 84) HD2
GLU( 9 A 87) HE2
HIS( 10 A 3) HE2
HIS( 10 A 4) HE2
HIS( 10 A 5) HD1
HIS( 10 A 6) HD1
HIS( 10 A 7) HE2
HIS( 10 A 8) HD1
HIS( 10 A 10) HD1
ASP( 10 A 23) HD2
GLU( 10 A 30) HE2
GLU( 10 A 31) HE2
HIS( 10 A 35) HD1
ASP( 10 A 36) HD2
HIS( 10 A 40) HE2
ASP( 10 A 52) HD2
ASP( 10 A 76) HD2
ASP( 10 A 80) HD2
ASP( 10 A 84) HD2
GLU( 10 A 87) HE2
HIS( 11 A 3) HD1
HIS( 11 A 4) HE2
HIS( 11 A 5) HE2
HIS( 11 A 6) HD1
HIS( 11 A 7) HD1
HIS( 11 A 8) HE2
HIS( 11 A 10) HD1
ASP( 11 A 23) HD2
GLU( 11 A 30) HE2
GLU( 11 A 31) HE2
HIS( 11 A 35) HE2
ASP( 11 A 36) HD2
HIS( 11 A 40) HE2
ASP( 11 A 52) HD2
ASP( 11 A 76) HD2
ASP( 11 A 80) HD2
ASP( 11 A 84) HD2
GLU( 11 A 87) HE2
HIS( 12 A 3) HE2
HIS( 12 A 4) HD1
HIS( 12 A 5) HD1
HIS( 12 A 6) HE2
HIS( 12 A 7) HE2
HIS( 12 A 8) HE2
HIS( 12 A 10) HD1
ASP( 12 A 23) HD2
GLU( 12 A 30) HE2
GLU( 12 A 31) HE2
HIS( 12 A 35) HD1
ASP( 12 A 36) HD2
HIS( 12 A 40) HE2
ASP( 12 A 52) HD2
ASP( 12 A 76) HD2
ASP( 12 A 80) HD2
ASP( 12 A 84) HD2
GLU( 12 A 87) HE2
HIS( 13 A 3) HD1
HIS( 13 A 4) HD1
HIS( 13 A 5) HD1
HIS( 13 A 6) HE2
HIS( 13 A 7) HD1
HIS( 13 A 8) HE2
HIS( 13 A 10) HE2
ASP( 13 A 23) HD2
GLU( 13 A 30) HE2
GLU( 13 A 31) HE2
HIS( 13 A 35) HE2
ASP( 13 A 36) HD2
HIS( 13 A 40) HD1
ASP( 13 A 52) HD2
ASP( 13 A 76) HD2
ASP( 13 A 80) HD2
ASP( 13 A 84) HD2
GLU( 13 A 87) HE2
HIS( 14 A 3) HD1
HIS( 14 A 4) HE2
HIS( 14 A 5) HE2
HIS( 14 A 6) HD1
HIS( 14 A 7) HE2
HIS( 14 A 8) HE2
HIS( 14 A 10) HD1
ASP( 14 A 23) HD2
GLU( 14 A 30) HE2
GLU( 14 A 31) HE2
HIS( 14 A 35) HE2
ASP( 14 A 36) HD2
HIS( 14 A 40) HE2
ASP( 14 A 52) HD2
ASP( 14 A 76) HD2
ASP( 14 A 80) HD2
ASP( 14 A 84) HD2
GLU( 14 A 87) HE2
HIS( 15 A 3) HE2
HIS( 15 A 4) HD1
HIS( 15 A 5) HE2
HIS( 15 A 6) HD1
HIS( 15 A 7) HE2
HIS( 15 A 8) HE2
HIS( 15 A 10) HE2
ASP( 15 A 23) HD2
GLU( 15 A 30) HE2
GLU( 15 A 31) HE2
HIS( 15 A 35) HD1
ASP( 15 A 36) HD2
HIS( 15 A 40) HE2
ASP( 15 A 52) HD2
ASP( 15 A 76) HD2
ASP( 15 A 80) HD2
ASP( 15 A 84) HD2
GLU( 15 A 87) HE2
HIS( 16 A 3) HD1
HIS( 16 A 4) HE2
HIS( 16 A 5) HD1
HIS( 16 A 6) HD1
HIS( 16 A 7) HE2
HIS( 16 A 8) HE2
HIS( 16 A 10) HE2
ASP( 16 A 23) HD2
GLU( 16 A 30) HE2
GLU( 16 A 31) HE2
HIS( 16 A 35) HE2
ASP( 16 A 36) HD2
HIS( 16 A 40) HD1
ASP( 16 A 52) HD2
ASP( 16 A 76) HD2
ASP( 16 A 80) HD2
ASP( 16 A 84) HD2
GLU( 16 A 87) HE2
HIS( 17 A 3) HE2
HIS( 17 A 4) HD1
HIS( 17 A 5) HE2
HIS( 17 A 6) HE2
HIS( 17 A 7) HE2
HIS( 17 A 8) HE2
HIS( 17 A 10) HE2
ASP( 17 A 23) HD2
GLU( 17 A 30) HE2
GLU( 17 A 31) HE2
HIS( 17 A 35) HE2
ASP( 17 A 36) HD2
HIS( 17 A 40) HD1
ASP( 17 A 52) HD2
ASP( 17 A 76) HD2
ASP( 17 A 80) HD2
ASP( 17 A 84) HD2
GLU( 17 A 87) HE2
HIS( 18 A 3) HD1
HIS( 18 A 4) HD1
HIS( 18 A 5) HE2
HIS( 18 A 6) HE2
HIS( 18 A 7) HD1
HIS( 18 A 8) HE2
HIS( 18 A 10) HD1
ASP( 18 A 23) HD2
GLU( 18 A 30) HE2
GLU( 18 A 31) HE2
HIS( 18 A 35) HD1
ASP( 18 A 36) HD2
HIS( 18 A 40) HE2
ASP( 18 A 52) HD2
ASP( 18 A 76) HD2
ASP( 18 A 80) HD2
ASP( 18 A 84) HD2
GLU( 18 A 87) HE2
HIS( 19 A 3) HD1
HIS( 19 A 4) HE2
HIS( 19 A 5) HD1
HIS( 19 A 6) HD1
HIS( 19 A 7) HD1
HIS( 19 A 8) HE2
HIS( 19 A 10) HD1
ASP( 19 A 23) HD2
GLU( 19 A 30) HE2
GLU( 19 A 31) HE2
HIS( 19 A 35) HE2
ASP( 19 A 36) HD2
HIS( 19 A 40) HE2
ASP( 19 A 52) HD2
ASP( 19 A 76) HD2
ASP( 19 A 80) HD2
ASP( 19 A 84) HD2
GLU( 19 A 87) HE2
HIS( 20 A 3) HD1
HIS( 20 A 4) HD1
HIS( 20 A 5) HE2
HIS( 20 A 6) HE2
HIS( 20 A 7) HD1
HIS( 20 A 8) HD1
HIS( 20 A 10) HE2
ASP( 20 A 23) HD2
GLU( 20 A 30) HE2
GLU( 20 A 31) HE2
HIS( 20 A 35) HE2
ASP( 20 A 36) HD2
HIS( 20 A 40) HD1
ASP( 20 A 52) HD2
ASP( 20 A 76) HD2
ASP( 20 A 80) HD2
ASP( 20 A 84) HD2
GLU( 20 A 87) HE2
==> The following residues have extra atoms:
RES MOD#C SEQ ATOMS
SER( 1 A 121) O2
SER( 2 A 121) O2
SER( 3 A 121) O2
SER( 4 A 121) O2
SER( 5 A 121) O2
SER( 6 A 121) O2
SER( 7 A 121) O2
SER( 8 A 121) O2
SER( 9 A 121) O2
SER( 10 A 121) O2
SER( 11 A 121) O2
SER( 12 A 121) O2
SER( 13 A 121) O2
SER( 14 A 121) O2
SER( 15 A 121) O2
SER( 16 A 121) O2
SER( 17 A 121) O2
SER( 18 A 121) O2
SER( 19 A 121) O2
SER( 20 A 121) 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
HR3646E_R3_em_bcr3.pdb: Missing KEYWDS records
HR3646E_R3_em_bcr3.pdb: Missing TITLE record