Detailed results of SPR104_NMR_em_bcr3 by PSVS
Output from PDBStat
Constraints analysis
table of NOE constraints
# -------------- SUMMARY OF RESTRAINTS ---------------
# TOTAL NUMBER OF NOE RESTRAINTS : 1844
# INTRA-RESIDUE RESTRAINTS (I=J) : 468
# SEQUENTIAL RESTRAINTS (I-J)=1 : 556
# BACKBONE-BACKBONE : 242
# BACKBONE-SIDE CHAIN : 10
# SIDE CHAIN-SIDE CHAIN : 304
# MEDIUM RANGE RESTRAINTS 1<(I-J)<5 : 140
# BACKBONE-BACKBONE : 38
# BACKBONE-SIDE CHAIN : 33
# SIDE CHAIN-SIDE CHAIN : 69
# LONG RANGE RESTRAINTS (I-J)>=5 : 680
# TOTAL HYDROGEN BOND RESTRAINTS : 0
# LONG RANGE H-BOND RESTR. (I-J)>=5 : 0
# DISULFIDE RESTRAINTS : 0
# INTRA-CHAIN RESTRAINTS : 1596
# INTER-CHAIN RESTRAINTS : 248
# AMBIGUOUS RESTRAINTS : 0
# -----------------------------------------------------
# -----------------------------------------------------
# -----------------------------------------------------
# RES # INTRA INTER seq med lng InterChain
MET 1 0 1.5 1.5 0.0 0.0 0.0
LYS 2 5 3.0 3.0 0.0 0.0 0.0
LYS 3 3 3.0 3.0 0.0 0.0 0.0
MET 4 2 3.0 3.0 0.0 0.0 0.0
ALA 5 1 2.5 2.5 0.0 0.0 0.0
GLU 6 2 3.0 3.0 0.0 0.0 0.0
PHE 7 5 5.0 3.5 0.0 1.5 0.0
THR 8 3 5.5 3.0 0.0 2.5 0.0
PHE 9 2 8.5 4.0 0.0 4.5 0.0
GLU 10 2 8.0 5.0 0.0 3.0 0.0
ILE 11 11 13.5 4.5 1.0 8.0 0.0
GLU 12 4 9.5 4.5 0.0 5.0 0.0
GLU 13 4 11.5 5.0 1.5 5.0 0.0
HIS 14 2 4.5 3.5 0.0 1.0 0.0
LEU 15 7 18.5 3.0 0.5 15.0 2.5
LEU 16 0 19.5 4.0 0.0 15.5 9.5
THR 17 3 6.0 3.5 0.0 2.5 0.0
LEU 18 10 21.0 3.0 0.0 18.0 11.5
SER 19 0 4.0 3.0 0.0 1.0 0.0
GLU 20 3 8.0 4.0 0.5 3.5 0.0
ASN 21 0 6.0 4.5 0.5 1.0 0.0
GLU 22 3 3.5 3.5 0.0 0.0 0.0
LYS 23 2 2.5 2.5 0.0 0.0 0.0
GLY 24 0 3.0 1.5 0.5 1.0 0.0
TRP 25 1 12.0 2.5 0.5 9.0 0.0
THR 26 2 9.0 3.5 0.0 5.5 0.0
LYS 27 7 17.0 3.0 0.0 14.0 5.0
GLU 28 0 6.5 2.5 0.0 4.0 0.0
ILE 29 5 26.5 2.5 0.0 24.0 4.5
ASN 30 1 12.0 3.0 0.5 8.5 0.0
ARG 31 7 16.0 3.5 0.0 12.5 0.0
VAL 32 5 20.0 4.5 2.5 13.0 0.0
SER 33 0 9.5 3.5 0.0 6.0 0.0
PHE 34 2 7.5 2.5 2.0 3.0 0.0
ASN 35 1 7.5 3.0 0.0 4.5 0.0
GLY 36 0 2.5 2.5 0.0 0.0 0.0
ALA 37 1 2.5 2.5 0.0 0.0 0.0
PRO 38 0 3.5 3.5 0.0 0.0 0.0
ALA 39 1 12.5 4.0 0.0 8.5 0.0
LYS 40 5 8.0 4.5 0.0 3.5 0.0
PHE 41 4 14.5 5.0 0.0 9.5 0.5
ASP 42 0 10.0 3.0 0.0 7.0 0.0
ILE 43 8 16.5 1.5 0.0 15.0 0.5
ARG 44 0 5.0 2.5 0.0 2.5 0.5
ALA 45 1 10.0 2.5 0.0 7.5 1.0
TRP 46 1 5.0 2.5 0.0 2.5 0.0
SER 47 0 2.0 1.5 0.0 0.5 0.0
PRO 48 0 3.5 0.0 0.0 3.5 0.0
ASP 49 0 1.5 1.5 0.0 0.0 0.0
HIS 50 1 2.5 2.5 0.0 0.0 0.0
THR 51 2 3.0 3.0 0.0 0.0 0.0
LYS 52 12 8.5 4.5 0.0 4.0 0.0
MET 53 3 5.5 5.0 0.0 0.5 0.0
GLY 54 0 4.5 4.0 0.0 0.5 0.0
LYS 55 9 4.5 3.5 0.5 0.5 0.5
GLY 56 0 7.5 7.5 0.0 0.0 4.5
ILE 57 9 19.0 8.5 0.5 10.0 11.0
THR 58 3 8.5 5.0 0.0 3.5 0.0
LEU 59 7 11.5 3.5 0.0 8.0 2.0
SER 60 0 4.0 2.5 0.0 1.5 0.0
ASN 61 2 6.0 3.0 1.0 2.0 0.5
GLU 62 5 6.0 4.5 1.5 0.0 0.0
GLU 63 1 9.0 5.0 2.0 2.0 2.0
PHE 64 5 19.0 4.5 4.0 10.5 3.0
GLN 65 10 12.5 4.5 6.0 2.0 2.0
THR 66 3 12.5 4.5 3.5 4.5 4.5
MET 67 3 22.5 5.5 6.5 10.5 11.5
VAL 68 5 25.0 6.0 14.0 5.0 12.5
ASP 69 1 7.5 4.5 2.5 0.5 0.5
ALA 70 1 9.5 3.5 2.5 3.5 3.5
PHE 71 2 23.0 4.0 10.0 9.0 16.5
LYS 72 12 9.0 5.5 3.5 0.0 4.0
GLY 73 0 5.5 4.0 1.0 0.5 0.5
ASN 74 0 3.0 2.5 0.0 0.5 0.5
LEU 75 6 10.0 2.0 1.0 7.0 7.0
GLU 76 2 3.5 2.0 0.0 1.5 1.5
HIS 77 2 3.0 2.5 0.0 0.5 0.5
HIS 78 1 2.0 2.0 0.0 0.0 0.0
HIS 79 1 2.0 2.0 0.0 0.0 0.0
HIS 80 1 1.5 1.5 0.0 0.0 0.0
HIS 81 1 1.5 1.5 0.0 0.0 0.0
HIS 82 1 1.0 1.0 0.0 0.0 0.0
MET 1 0 1.5 1.5 0.0 0.0 0.0
LYS 2 5 3.0 3.0 0.0 0.0 0.0
LYS 3 3 3.0 3.0 0.0 0.0 0.0
MET 4 2 3.0 3.0 0.0 0.0 0.0
ALA 5 1 2.5 2.5 0.0 0.0 0.0
GLU 6 2 3.0 3.0 0.0 0.0 0.0
PHE 7 5 5.0 3.5 0.0 1.5 0.0
THR 8 3 5.5 3.0 0.0 2.5 0.0
PHE 9 2 8.5 4.0 0.0 4.5 0.0
GLU 10 2 8.0 5.0 0.0 3.0 0.0
ILE 11 11 13.5 4.5 1.0 8.0 0.0
GLU 12 4 9.5 4.5 0.0 5.0 0.0
GLU 13 4 11.5 5.0 1.5 5.0 0.0
HIS 14 2 4.5 3.5 0.0 1.0 0.0
LEU 15 7 18.5 3.0 0.5 15.0 2.5
LEU 16 0 19.5 4.0 0.0 15.5 9.5
THR 17 3 6.0 3.5 0.0 2.5 0.0
LEU 18 10 21.0 3.0 0.0 18.0 11.5
SER 19 0 4.0 3.0 0.0 1.0 0.0
GLU 20 3 8.0 4.0 0.5 3.5 0.0
ASN 21 0 6.0 4.5 0.5 1.0 0.0
GLU 22 3 3.5 3.5 0.0 0.0 0.0
LYS 23 2 2.5 2.5 0.0 0.0 0.0
GLY 24 0 3.0 1.5 0.5 1.0 0.0
TRP 25 1 12.0 2.5 0.5 9.0 0.0
THR 26 2 9.0 3.5 0.0 5.5 0.0
LYS 27 7 17.0 3.0 0.0 14.0 5.0
GLU 28 0 6.5 2.5 0.0 4.0 0.0
ILE 29 5 26.5 2.5 0.0 24.0 4.5
ASN 30 1 12.0 3.0 0.5 8.5 0.0
ARG 31 7 16.0 3.5 0.0 12.5 0.0
VAL 32 5 20.0 4.5 2.5 13.0 0.0
SER 33 0 9.5 3.5 0.0 6.0 0.0
PHE 34 2 7.5 2.5 2.0 3.0 0.0
ASN 35 1 7.5 3.0 0.0 4.5 0.0
GLY 36 0 2.5 2.5 0.0 0.0 0.0
ALA 37 1 2.5 2.5 0.0 0.0 0.0
PRO 38 0 3.5 3.5 0.0 0.0 0.0
ALA 39 1 12.5 4.0 0.0 8.5 0.0
LYS 40 5 8.0 4.5 0.0 3.5 0.0
PHE 41 4 14.5 5.0 0.0 9.5 0.5
ASP 42 0 10.0 3.0 0.0 7.0 0.0
ILE 43 8 16.5 1.5 0.0 15.0 0.5
ARG 44 0 5.0 2.5 0.0 2.5 0.5
ALA 45 1 10.0 2.5 0.0 7.5 1.0
TRP 46 1 5.0 2.5 0.0 2.5 0.0
SER 47 0 2.0 1.5 0.0 0.5 0.0
PRO 48 0 3.5 0.0 0.0 3.5 0.0
ASP 49 0 1.5 1.5 0.0 0.0 0.0
HIS 50 1 2.5 2.5 0.0 0.0 0.0
THR 51 2 3.0 3.0 0.0 0.0 0.0
LYS 52 12 8.5 4.5 0.0 4.0 0.0
MET 53 3 5.5 5.0 0.0 0.5 0.0
GLY 54 0 4.5 4.0 0.0 0.5 0.0
LYS 55 9 4.5 3.5 0.5 0.5 0.5
GLY 56 0 7.5 7.5 0.0 0.0 4.5
ILE 57 7 19.0 8.5 0.5 10.0 11.0
THR 58 3 8.5 5.0 0.0 3.5 0.0
LEU 59 7 11.5 3.5 0.0 8.0 2.0
SER 60 0 4.0 2.5 0.0 1.5 0.0
ASN 61 2 6.0 3.0 1.0 2.0 0.5
GLU 62 5 6.0 4.5 1.5 0.0 0.0
GLU 63 1 9.0 5.0 2.0 2.0 2.0
PHE 64 5 19.0 4.5 4.0 10.5 3.0
GLN 65 10 12.5 4.5 6.0 2.0 2.0
THR 66 3 12.5 4.5 3.5 4.5 4.5
MET 67 3 22.5 5.5 6.5 10.5 11.5
VAL 68 5 25.0 6.0 14.0 5.0 12.5
ASP 69 1 7.5 4.5 2.5 0.5 0.5
ALA 70 1 9.5 3.5 2.5 3.5 3.5
PHE 71 2 23.0 4.0 10.0 9.0 16.5
LYS 72 8 9.0 5.5 3.5 0.0 4.0
GLY 73 0 5.5 4.0 1.0 0.5 0.5
ASN 74 0 3.0 2.5 0.0 0.5 0.5
LEU 75 6 10.0 2.0 1.0 7.0 7.0
GLU 76 2 3.5 2.0 0.0 1.5 1.5
HIS 77 2 3.0 2.5 0.0 0.5 0.5
HIS 78 1 2.0 2.0 0.0 0.0 0.0
HIS 79 1 2.0 2.0 0.0 0.0 0.0
HIS 80 1 1.5 1.5 0.0 0.0 0.0
HIS 81 1 1.5 1.5 0.0 0.0 0.0
HIS 82 1 1.0 1.0 0.0 0.0 0.0
# TOTAL 468 1376.0 556.0 140.0 680.0 248.0
# TOTAL NUMBER OF RESTRAINTS (CHECKING): 1844.0
List of conformationally-resticting NOE constraints
assign ((segid A and resid 1 and name HA )) ((segid A and resid 2 and name HN )) 1.80 0.00 1.80
assign ((segid A and resid 1 and name HB* )) ((segid A and resid 2 and name HN )) 1.80 0.00 2.10
assign ((segid A and resid 1 and name HG* )) ((segid A and resid 2 and name HN )) 1.80 0.00 2.93
assign ((segid A and resid 2 and name HA )) ((segid A and resid 2 and name HG* )) 1.80 0.00 1.96
assign ((segid A and resid 2 and name HA )) ((segid A and resid 3 and name HN )) 1.80 0.00 1.57
assign ((segid A and resid 2 and name HB* )) ((segid A and resid 3 and name HN )) 1.80 0.00 2.20
assign ((segid A and resid 2 and name HB1 )) ((segid A and resid 2 and name HD* )) 1.80 0.00 1.50
assign ((segid A and resid 2 and name HB2 )) ((segid A and resid 2 and name HD* )) 1.80 0.00 1.50
assign ((segid A and resid 2 and name HG* )) ((segid A and resid 3 and name HN )) 1.80 0.00 2.91
assign ((segid A and resid 2 and name HN )) ((segid A and resid 2 and name HB* )) 1.80 0.00 1.58
assign ((segid A and resid 2 and name HN )) ((segid A and resid 2 and name HG* )) 1.80 0.00 2.50
assign ((segid A and resid 3 and name HA )) ((segid A and resid 4 and name HN )) 1.80 0.00 1.80
assign ((segid A and resid 3 and name HB* )) ((segid A and resid 3 and name HD* )) 1.80 0.00 1.33
assign ((segid A and resid 3 and name HB* )) ((segid A and resid 4 and name HN )) 1.80 0.00 2.10
assign ((segid A and resid 3 and name HG* )) ((segid A and resid 4 and name HN )) 1.80 0.00 2.80
assign ((segid A and resid 3 and name HN )) ((segid A and resid 3 and name HB* )) 1.80 0.00 1.50
assign ((segid A and resid 3 and name HN )) ((segid A and resid 3 and name HG* )) 1.80 0.00 3.00
assign ((segid A and resid 4 and name HA )) ((segid A and resid 5 and name HN )) 1.80 0.00 1.80
assign ((segid A and resid 4 and name HB* )) ((segid A and resid 5 and name HN )) 1.80 0.00 2.20
assign ((segid A and resid 4 and name HG* )) ((segid A and resid 5 and name HN )) 1.80 0.00 2.74
assign ((segid A and resid 4 and name HN )) ((segid A and resid 4 and name HB* )) 1.80 0.00 1.38
assign ((segid A and resid 4 and name HN )) ((segid A and resid 4 and name HG* )) 1.80 0.00 2.30
assign ((segid A and resid 5 and name HA )) ((segid A and resid 6 and name HN )) 1.80 0.00 1.80
assign ((segid A and resid 5 and name HB* )) ((segid A and resid 6 and name HN )) 1.80 0.00 1.80
assign ((segid A and resid 5 and name HN )) ((segid A and resid 5 and name HB* )) 1.80 0.00 1.36
assign ((segid A and resid 6 and name HA )) ((segid A and resid 7 and name HN )) 1.80 0.00 1.80
assign ((segid A and resid 6 and name HB* )) ((segid A and resid 7 and name HN )) 1.80 0.00 2.10
assign ((segid A and resid 6 and name HG1 )) ((segid A and resid 7 and name HN )) 1.80 0.00 3.80
assign ((segid A and resid 6 and name HG2 )) ((segid A and resid 7 and name HN )) 1.80 0.00 3.80
assign ((segid A and resid 6 and name HN )) ((segid A and resid 6 and name HB* )) 1.80 0.00 1.50
assign ((segid A and resid 6 and name HN )) ((segid A and resid 6 and name HG* )) 1.80 0.00 2.50
assign ((segid A and resid 7 and name HA )) ((segid A and resid 7 and name HD* )) 1.80 0.00 2.36
assign ((segid A and resid 7 and name HA )) ((segid A and resid 8 and name HN )) 1.80 0.00 2.00
assign ((segid A and resid 7 and name HA )) ((segid A and resid 35 and name HD2* )) 1.80 0.00 2.67
assign ((segid A and resid 7 and name HB* )) ((segid A and resid 8 and name HN )) 1.80 0.00 1.80
assign ((segid A and resid 7 and name HB* )) ((segid A and resid 35 and name HD2* )) 1.80 0.00 2.39
assign ((segid A and resid 7 and name HB* )) ((segid A and resid 35 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 7 and name HD* )) ((segid A and resid 7 and name HZ )) 1.80 0.00 2.40
assign ((segid A and resid 7 and name HD* )) ((segid A and resid 8 and name HN )) 1.80 0.00 3.00
assign ((segid A and resid 7 and name HE* )) ((segid A and resid 7 and name HZ )) 1.80 0.00 1.50
assign ((segid A and resid 7 and name HN )) ((segid A and resid 7 and name HB* )) 1.80 0.00 1.45
assign ((segid A and resid 7 and name HN )) ((segid A and resid 7 and name HD* )) 1.80 0.00 2.60
assign ((segid A and resid 8 and name HA )) ((segid A and resid 8 and name HG2* )) 1.80 0.00 1.50
assign ((segid A and resid 8 and name HA )) ((segid A and resid 9 and name HN )) 1.80 0.00 1.50
assign ((segid A and resid 8 and name HB )) ((segid A and resid 9 and name HN )) 1.80 0.00 2.50
assign ((segid A and resid 8 and name HG2* )) ((segid A and resid 35 and name HA )) 1.80 0.00 3.00
assign ((segid A and resid 8 and name HG2* )) ((segid A and resid 35 and name HN )) 1.80 0.00 3.00
assign ((segid A and resid 8 and name HN )) ((segid A and resid 8 and name HB )) 1.80 0.00 2.43
assign ((segid A and resid 8 and name HN )) ((segid A and resid 8 and name HG2* )) 1.80 0.00 2.30
assign ((segid A and resid 8 and name HN )) ((segid A and resid 9 and name HN )) 1.80 0.00 3.29
assign ((segid A and resid 8 and name HN )) ((segid A and resid 35 and name HA )) 1.80 0.00 2.48
assign ((segid A and resid 8 and name HN )) ((segid A and resid 35 and name HD2* )) 1.80 0.00 3.16
assign ((segid A and resid 8 and name HN )) ((segid A and resid 35 and name HN )) 1.80 0.00 2.30
assign ((segid A and resid 9 and name HA )) ((segid A and resid 9 and name HD* )) 1.80 0.00 3.14
assign ((segid A and resid 9 and name HA )) ((segid A and resid 10 and name HN )) 1.80 0.00 1.81
assign ((segid A and resid 9 and name HA )) ((segid A and resid 32 and name HG1* )) 1.80 0.00 2.63
assign ((segid A and resid 9 and name HA )) ((segid A and resid 34 and name HA )) 1.80 0.00 2.67
assign ((segid A and resid 9 and name HA )) ((segid A and resid 34 and name HD* )) 1.80 0.00 2.96
assign ((segid A and resid 9 and name HA )) ((segid A and resid 35 and name HN )) 1.80 0.00 2.62
assign ((segid A and resid 9 and name HB* )) ((segid A and resid 34 and name HA )) 1.80 0.00 3.17
assign ((segid A and resid 9 and name HB1 )) ((segid A and resid 10 and name HN )) 1.80 0.00 3.08
assign ((segid A and resid 9 and name HB1 )) ((segid A and resid 32 and name HG1* )) 1.80 0.00 2.48
assign ((segid A and resid 9 and name HB2 )) ((segid A and resid 10 and name HN )) 1.80 0.00 3.08
assign ((segid A and resid 9 and name HB2 )) ((segid A and resid 32 and name HG1* )) 1.80 0.00 2.48
assign ((segid A and resid 9 and name HD* )) ((segid A and resid 10 and name HN )) 1.80 0.00 3.23
assign ((segid A and resid 9 and name HD* )) ((segid A and resid 32 and name HG1* )) 1.80 0.00 2.52
assign ((segid A and resid 9 and name HD* )) ((segid A and resid 34 and name HE* )) 1.80 0.00 2.53
assign ((segid A and resid 9 and name HN )) ((segid A and resid 9 and name HD* )) 1.80 0.00 2.30
assign ((segid A and resid 9 and name HN )) ((segid A and resid 10 and name HN )) 1.80 0.00 3.21
assign ((segid A and resid 10 and name HA )) ((segid A and resid 10 and name HG* )) 1.80 0.00 1.73
assign ((segid A and resid 10 and name HA )) ((segid A and resid 11 and name HN )) 1.80 0.00 1.68
assign ((segid A and resid 10 and name HA )) ((segid A and resid 32 and name HG1* )) 1.80 0.00 3.07
assign ((segid A and resid 10 and name HB* )) ((segid A and resid 33 and name HN )) 1.80 0.00 3.21
assign ((segid A and resid 10 and name HB1 )) ((segid A and resid 11 and name HN )) 1.80 0.00 3.03
assign ((segid A and resid 10 and name HB2 )) ((segid A and resid 11 and name HN )) 1.80 0.00 3.03
assign ((segid A and resid 10 and name HG* )) ((segid A and resid 11 and name HN )) 1.80 0.00 2.80
assign ((segid A and resid 10 and name HN )) ((segid A and resid 10 and name HG* )) 1.80 0.00 2.62
assign ((segid A and resid 10 and name HN )) ((segid A and resid 11 and name HN )) 1.80 0.00 3.18
assign ((segid A and resid 10 and name HN )) ((segid A and resid 32 and name HG1* )) 1.80 0.00 2.08
assign ((segid A and resid 10 and name HN )) ((segid A and resid 33 and name HB* )) 1.80 0.00 3.09
assign ((segid A and resid 10 and name HN )) ((segid A and resid 33 and name HN )) 1.80 0.00 2.02
assign ((segid A and resid 10 and name HN )) ((segid A and resid 34 and name HA )) 1.80 0.00 2.74
assign ((segid A and resid 11 and name HA )) ((segid A and resid 11 and name HD1* )) 1.80 0.00 3.00
assign ((segid A and resid 11 and name HA )) ((segid A and resid 11 and name HG2* )) 1.80 0.00 1.94
assign ((segid A and resid 11 and name HA )) ((segid A and resid 12 and name HN )) 1.80 0.00 1.90
assign ((segid A and resid 11 and name HA )) ((segid A and resid 32 and name HA )) 1.80 0.00 2.72
assign ((segid A and resid 11 and name HA )) ((segid A and resid 32 and name HG1* )) 1.80 0.00 2.41
assign ((segid A and resid 11 and name HA )) ((segid A and resid 32 and name HG2* )) 1.80 0.00 2.16
assign ((segid A and resid 11 and name HA )) ((segid A and resid 33 and name HN )) 1.80 0.00 2.72
assign ((segid A and resid 11 and name HB )) ((segid A and resid 11 and name HD1* )) 1.80 0.00 1.94
assign ((segid A and resid 11 and name HD1* )) ((segid A and resid 32 and name HG1* )) 1.80 0.00 3.21
assign ((segid A and resid 11 and name HD1* )) ((segid A and resid 32 and name HG2* )) 1.80 0.00 2.77
assign ((segid A and resid 11 and name HG1* )) ((segid A and resid 12 and name HN )) 1.80 0.00 3.16
assign ((segid A and resid 11 and name HG1* )) ((segid A and resid 32 and name HG2* )) 1.80 0.00 3.21
assign ((segid A and resid 11 and name HG2* )) ((segid A and resid 11 and name HD1* )) 1.80 0.00 1.47
assign ((segid A and resid 11 and name HG2* )) ((segid A and resid 11 and name HG11 )) 1.80 0.00 2.85
assign ((segid A and resid 11 and name HG2* )) ((segid A and resid 11 and name HG12 )) 1.80 0.00 2.85
assign ((segid A and resid 11 and name HG2* )) ((segid A and resid 12 and name HN )) 1.80 0.00 2.16
assign ((segid A and resid 11 and name HG2* )) ((segid A and resid 13 and name HB* )) 1.80 0.00 3.80
assign ((segid A and resid 11 and name HG2* )) ((segid A and resid 13 and name HN )) 1.80 0.00 1.91
assign ((segid A and resid 11 and name HG2* )) ((segid A and resid 30 and name HA )) 1.80 0.00 3.16
assign ((segid A and resid 11 and name HG2* )) ((segid A and resid 30 and name HB1 )) 1.80 0.00 2.18
assign ((segid A and resid 11 and name HG2* )) ((segid A and resid 30 and name HB2 )) 1.80 0.00 2.18
assign ((segid A and resid 11 and name HG2* )) ((segid A and resid 31 and name HN )) 1.80 0.00 2.59
assign ((segid A and resid 11 and name HG2* )) ((segid A and resid 32 and name HA )) 1.80 0.00 2.99
assign ((segid A and resid 11 and name HG2* )) ((segid A and resid 32 and name HG1* )) 1.80 0.00 3.20
assign ((segid A and resid 11 and name HG2* )) ((segid A and resid 32 and name HG2* )) 1.80 0.00 1.85
assign ((segid A and resid 11 and name HN )) ((segid A and resid 11 and name HB )) 1.80 0.00 2.08
assign ((segid A and resid 11 and name HN )) ((segid A and resid 11 and name HD1* )) 1.80 0.00 2.66
assign ((segid A and resid 11 and name HN )) ((segid A and resid 11 and name HG11 )) 1.80 0.00 2.89
assign ((segid A and resid 11 and name HN )) ((segid A and resid 11 and name HG12 )) 1.80 0.00 2.89
assign ((segid A and resid 11 and name HN )) ((segid A and resid 11 and name HG2* )) 1.80 0.00 2.49
assign ((segid A and resid 11 and name HN )) ((segid A and resid 12 and name HN )) 1.80 0.00 3.36
assign ((segid A and resid 11 and name HN )) ((segid A and resid 32 and name HG1* )) 1.80 0.00 3.27
assign ((segid A and resid 11 and name HN )) ((segid A and resid 32 and name HG2* )) 1.80 0.00 3.45
assign ((segid A and resid 12 and name HA )) ((segid A and resid 12 and name HG1 )) 1.80 0.00 2.62
assign ((segid A and resid 12 and name HA )) ((segid A and resid 12 and name HG2 )) 1.80 0.00 2.62
assign ((segid A and resid 12 and name HA )) ((segid A and resid 13 and name HN )) 1.80 0.00 1.80
assign ((segid A and resid 12 and name HB* )) ((segid A and resid 13 and name HN )) 1.80 0.00 2.36
assign ((segid A and resid 12 and name HB* )) ((segid A and resid 39 and name HB* )) 1.80 0.00 2.52
assign ((segid A and resid 12 and name HG* )) ((segid A and resid 33 and name HB* )) 1.80 0.00 3.23
assign ((segid A and resid 12 and name HG1 )) ((segid A and resid 13 and name HN )) 1.80 0.00 3.29
assign ((segid A and resid 12 and name HG1 )) ((segid A and resid 39 and name HB* )) 1.80 0.00 1.94
assign ((segid A and resid 12 and name HG2 )) ((segid A and resid 13 and name HN )) 1.80 0.00 3.29
assign ((segid A and resid 12 and name HG2 )) ((segid A and resid 32 and name HA )) 1.80 0.00 3.39
assign ((segid A and resid 12 and name HG2 )) ((segid A and resid 39 and name HB* )) 1.80 0.00 2.35
assign ((segid A and resid 12 and name HN )) ((segid A and resid 12 and name HG1 )) 1.80 0.00 2.42
assign ((segid A and resid 12 and name HN )) ((segid A and resid 12 and name HG2 )) 1.80 0.00 2.42
assign ((segid A and resid 12 and name HN )) ((segid A and resid 13 and name HN )) 1.80 0.00 1.91
assign ((segid A and resid 12 and name HN )) ((segid A and resid 32 and name HA )) 1.80 0.00 2.69
assign ((segid A and resid 12 and name HN )) ((segid A and resid 32 and name HG1* )) 1.80 0.00 3.59
assign ((segid A and resid 12 and name HN )) ((segid A and resid 32 and name HG2* )) 1.80 0.00 3.30
assign ((segid A and resid 12 and name HN )) ((segid A and resid 33 and name HN )) 1.80 0.00 3.27
assign ((segid A and resid 12 and name HN )) ((segid A and resid 39 and name HB* )) 1.80 0.00 3.16
assign ((segid A and resid 13 and name HA )) ((segid A and resid 13 and name HG* )) 1.80 0.00 1.90
assign ((segid A and resid 13 and name HA )) ((segid A and resid 14 and name HN )) 1.80 0.00 1.65
assign ((segid A and resid 13 and name HB* )) ((segid A and resid 31 and name HB1 )) 1.80 0.00 4.25
assign ((segid A and resid 13 and name HB* )) ((segid A and resid 31 and name HB2 )) 1.80 0.00 3.20
assign ((segid A and resid 13 and name HB* )) ((segid A and resid 31 and name HD* )) 1.80 0.00 3.80
assign ((segid A and resid 13 and name HB* )) ((segid A and resid 31 and name HN )) 1.80 0.00 3.19
assign ((segid A and resid 13 and name HB* )) ((segid A and resid 39 and name HB* )) 1.80 0.00 3.60
assign ((segid A and resid 13 and name HB1 )) ((segid A and resid 14 and name HN )) 1.80 0.00 2.94
assign ((segid A and resid 13 and name HB2 )) ((segid A and resid 14 and name HN )) 1.80 0.00 2.94
assign ((segid A and resid 13 and name HG* )) ((segid A and resid 14 and name HN )) 1.80 0.00 2.57
assign ((segid A and resid 13 and name HG* )) ((segid A and resid 15 and name HD2* )) 1.80 0.00 3.15
assign ((segid A and resid 13 and name HG* )) ((segid A and resid 31 and name HD* )) 1.80 0.00 3.80
assign ((segid A and resid 13 and name HN )) ((segid A and resid 13 and name HB1 )) 1.80 0.00 2.49
assign ((segid A and resid 13 and name HN )) ((segid A and resid 13 and name HB2 )) 1.80 0.00 2.49
assign ((segid A and resid 13 and name HN )) ((segid A and resid 13 and name HG* )) 1.80 0.00 3.03
assign ((segid A and resid 13 and name HN )) ((segid A and resid 14 and name HN )) 1.80 0.00 3.21
assign ((segid A and resid 13 and name HN )) ((segid A and resid 30 and name HB* )) 1.80 0.00 3.14
assign ((segid A and resid 13 and name HN )) ((segid A and resid 31 and name HB* )) 1.80 0.00 3.01
assign ((segid A and resid 13 and name HN )) ((segid A and resid 31 and name HN )) 1.80 0.00 2.80
assign ((segid A and resid 13 and name HN )) ((segid A and resid 39 and name HB* )) 1.80 0.00 3.20
assign ((segid A and resid 14 and name HA )) ((segid A and resid 15 and name HN )) 1.80 0.00 2.00
assign ((segid A and resid 14 and name HA )) ((segid A and resid 30 and name HA )) 1.80 0.00 2.82
assign ((segid A and resid 14 and name HA )) ((segid A and resid 30 and name HB* )) 1.80 0.00 2.70
assign ((segid A and resid 14 and name HN )) ((segid A and resid 14 and name HB1 )) 1.80 0.00 2.29
assign ((segid A and resid 14 and name HN )) ((segid A and resid 14 and name HB2 )) 1.80 0.00 2.29
assign ((segid A and resid 14 and name HN )) ((segid A and resid 15 and name HN )) 1.80 0.00 3.68
assign ((segid A and resid 15 and name HA )) ((segid A and resid 15 and name HD2* )) 1.80 0.00 1.33
assign ((segid A and resid 15 and name HA )) ((segid A and resid 15 and name HG )) 1.80 0.00 1.91
assign ((segid A and resid 15 and name HA )) ((segid A and resid 16 and name HN )) 1.80 0.00 2.00
assign ((segid A and resid 15 and name HB* )) ((segid A and resid 15 and name HD2* )) 1.80 0.00 1.50
assign ((segid A and resid 15 and name HB* )) ((segid A and resid 29 and name HB )) 1.80 0.00 3.03
assign ((segid A and resid 15 and name HB* )) ((segid A and resid 30 and name HA )) 1.80 0.00 3.27
assign ((segid A and resid 15 and name HB1 )) ((segid A and resid 15 and name HD1* )) 1.80 0.00 1.47
assign ((segid A and resid 15 and name HB1 )) ((segid A and resid 16 and name HN )) 1.80 0.00 2.03
assign ((segid A and resid 15 and name HB2 )) ((segid A and resid 15 and name HD1* )) 1.80 0.00 1.47
assign ((segid A and resid 15 and name HB2 )) ((segid A and resid 16 and name HN )) 1.80 0.00 2.03
assign ((segid A and resid 15 and name HD1* )) ((segid A and resid 29 and name HB )) 1.80 0.00 3.80
assign ((segid A and resid 15 and name HD1* )) ((segid A and resid 29 and name HG2* )) 1.80 0.00 3.80
assign ((segid A and resid 15 and name HD1* )) ((segid A and resid 30 and name HA )) 1.80 0.00 2.80
assign ((segid A and resid 15 and name HD1* )) ((segid A and resid 30 and name HB* )) 1.80 0.00 3.30
assign ((segid A and resid 15 and name HD1* )) ((segid A and resid 31 and name HA )) 1.80 0.00 3.80
assign ((segid A and resid 15 and name HD1* )) ((segid A and resid 31 and name HG* )) 1.80 0.00 2.50
assign ((segid A and resid 15 and name HD1* )) ((segid A and resid 31 and name HN )) 1.80 0.00 3.00
assign ((segid A and resid 15 and name HD1* )) ((segid A and resid 41 and name HA )) 1.80 0.00 3.00
assign ((segid A and resid 15 and name HD1* )) ((segid A and resid 41 and name HD* )) 1.80 0.00 1.81
assign ((segid A and resid 15 and name HD1* )) ((segid A and resid 64 and name HE* )) 1.80 0.00 3.35
assign ((segid A and resid 15 and name HD1* )) ((segid A and resid 64 and name HZ )) 1.80 0.00 3.00
assign ((segid A and resid 15 and name HD2* )) ((segid A and resid 30 and name HA )) 1.80 0.00 3.10
assign ((segid A and resid 15 and name HD2* )) ((segid A and resid 31 and name HD* )) 1.80 0.00 2.24
assign ((segid A and resid 15 and name HD2* )) ((segid A and resid 31 and name HG* )) 1.80 0.00 2.01
assign ((segid A and resid 15 and name HD2* )) ((segid A and resid 41 and name HD* )) 1.80 0.00 3.00
assign ((segid A and resid 15 and name HD2* )) ((segid A and resid 64 and name HD* )) 1.80 0.00 3.80
assign ((segid A and resid 15 and name HD2* )) ((segid A and resid 64 and name HE* )) 1.80 0.00 3.00
assign ((segid A and resid 15 and name HD2* )) ((segid A and resid 64 and name HZ )) 1.80 0.00 3.00
assign ((segid A and resid 15 and name HG )) ((segid A and resid 30 and name HA )) 1.80 0.00 2.79
assign ((segid A and resid 15 and name HN )) ((segid A and resid 15 and name HD2* )) 1.80 0.00 2.82
assign ((segid A and resid 15 and name HN )) ((segid A and resid 15 and name HG )) 1.80 0.00 2.42
assign ((segid A and resid 15 and name HN )) ((segid A and resid 16 and name HN )) 1.80 0.00 1.95
assign ((segid A and resid 15 and name HN )) ((segid A and resid 29 and name HG2* )) 1.80 0.00 3.22
assign ((segid A and resid 15 and name HN )) ((segid A and resid 29 and name HN )) 1.80 0.00 3.53
assign ((segid A and resid 15 and name HN )) ((segid A and resid 30 and name HA )) 1.80 0.00 2.39
assign ((segid A and resid 15 and name HN )) ((segid A and resid 31 and name HN )) 1.80 0.00 3.11
assign ((segid A and resid 16 and name HA )) ((segid A and resid 17 and name HN )) 1.80 0.00 1.60
assign ((segid A and resid 16 and name HB* )) ((segid A and resid 17 and name HN )) 1.80 0.00 1.99
assign ((segid A and resid 16 and name HB* )) ((segid A and resid 29 and name HD1* )) 1.80 0.00 3.80
assign ((segid A and resid 16 and name HD1* )) ((segid A and resid 17 and name HN )) 1.80 0.00 3.00
assign ((segid A and resid 16 and name HD1* )) ((segid A and resid 29 and name HB )) 1.80 0.00 3.24
assign ((segid A and resid 16 and name HD1* )) ((segid A and resid 29 and name HD1* )) 1.80 0.00 2.50
assign ((segid A and resid 16 and name HD1* )) ((segid A and resid 29 and name HN )) 1.80 0.00 3.80
assign ((segid A and resid 16 and name HD2* )) ((segid A and resid 29 and name HB )) 1.80 0.00 3.10
assign ((segid A and resid 16 and name HD2* )) ((segid A and resid 29 and name HD1* )) 1.80 0.00 2.50
assign ((segid A and resid 16 and name HD2* )) ((segid A and resid 29 and name HG2* )) 1.80 0.00 3.80
assign ((segid A and resid 16 and name HD2* )) ((segid A and resid 29 and name HN )) 1.80 0.00 4.25
assign ((segid A and resid 16 and name HN )) ((segid A and resid 17 and name HN )) 1.80 0.00 3.00
assign ((segid A and resid 16 and name HN )) ((segid A and resid 29 and name HB )) 1.80 0.00 3.00
assign ((segid A and resid 16 and name HN )) ((segid A and resid 29 and name HD1* )) 1.80 0.00 3.19
assign ((segid A and resid 16 and name HN )) ((segid A and resid 29 and name HN )) 1.80 0.00 2.80
assign ((segid A and resid 16 and name HN )) ((segid A and resid 30 and name HA )) 1.80 0.00 2.77
assign ((segid A and resid 17 and name HA )) ((segid A and resid 17 and name HG2* )) 1.80 0.00 1.50
assign ((segid A and resid 17 and name HA )) ((segid A and resid 18 and name HN )) 1.80 0.00 2.00
assign ((segid A and resid 17 and name HA )) ((segid A and resid 28 and name HA )) 1.80 0.00 2.72
assign ((segid A and resid 17 and name HG2* )) ((segid A and resid 18 and name HN )) 1.80 0.00 2.22
assign ((segid A and resid 17 and name HG2* )) ((segid A and resid 26 and name HB )) 1.80 0.00 3.60
assign ((segid A and resid 17 and name HG2* )) ((segid A and resid 27 and name HN )) 1.80 0.00 3.11
assign ((segid A and resid 17 and name HG2* )) ((segid A and resid 28 and name HA )) 1.80 0.00 2.49
assign ((segid A and resid 17 and name HG2* )) ((segid A and resid 29 and name HN )) 1.80 0.00 3.38
assign ((segid A and resid 17 and name HN )) ((segid A and resid 17 and name HB )) 1.80 0.00 2.07
assign ((segid A and resid 17 and name HN )) ((segid A and resid 17 and name HG2* )) 1.80 0.00 2.57
assign ((segid A and resid 17 and name HN )) ((segid A and resid 18 and name HN )) 1.80 0.00 3.44
assign ((segid A and resid 18 and name HA )) ((segid A and resid 18 and name HD1* )) 1.80 0.00 2.62
assign ((segid A and resid 18 and name HA )) ((segid A and resid 18 and name HD2* )) 1.80 0.00 1.51
assign ((segid A and resid 18 and name HA )) ((segid A and resid 18 and name HG )) 1.80 0.00 2.27
assign ((segid A and resid 18 and name HA )) ((segid A and resid 19 and name HN )) 1.80 0.00 2.00
assign ((segid A and resid 18 and name HB* )) ((segid A and resid 19 and name HN )) 1.80 0.00 2.71
assign ((segid A and resid 18 and name HB* )) ((segid A and resid 27 and name HN )) 1.80 0.00 3.23
assign ((segid A and resid 18 and name HB1 )) ((segid A and resid 18 and name HD1* )) 1.80 0.00 1.78
assign ((segid A and resid 18 and name HB1 )) ((segid A and resid 18 and name HD2* )) 1.80 0.00 1.84
assign ((segid A and resid 18 and name HB2 )) ((segid A and resid 18 and name HD1* )) 1.80 0.00 1.78
assign ((segid A and resid 18 and name HB2 )) ((segid A and resid 18 and name HD2* )) 1.80 0.00 1.84
assign ((segid A and resid 18 and name HD1* )) ((segid A and resid 27 and name HB1 )) 1.80 0.00 3.00
assign ((segid A and resid 18 and name HD1* )) ((segid A and resid 27 and name HB2 )) 1.80 0.00 3.20
assign ((segid A and resid 18 and name HD1* )) ((segid A and resid 27 and name HE* )) 1.80 0.00 3.59
assign ((segid A and resid 18 and name HD1* )) ((segid A and resid 27 and name HG* )) 1.80 0.00 2.77
assign ((segid A and resid 18 and name HD1* )) ((segid A and resid 29 and name HD1* )) 1.80 0.00 2.31
assign ((segid A and resid 18 and name HD1* )) ((segid A and resid 43 and name HG2* )) 1.80 0.00 2.15
assign ((segid A and resid 18 and name HD2* )) ((segid A and resid 29 and name HD1* )) 1.80 0.00 1.98
assign ((segid A and resid 18 and name HD2* )) ((segid A and resid 29 and name HG1* )) 1.80 0.00 3.38
assign ((segid A and resid 18 and name HD2* )) ((segid A and resid 29 and name HG2* )) 1.80 0.00 3.52
assign ((segid A and resid 18 and name HG )) ((segid A and resid 27 and name HG* )) 1.80 0.00 3.21
assign ((segid A and resid 18 and name HG )) ((segid A and resid 29 and name HG1* )) 1.80 0.00 3.44
assign ((segid A and resid 18 and name HN )) ((segid A and resid 18 and name HD1* )) 1.80 0.00 2.89
assign ((segid A and resid 18 and name HN )) ((segid A and resid 18 and name HD2* )) 1.80 0.00 2.71
assign ((segid A and resid 18 and name HN )) ((segid A and resid 18 and name HG )) 1.80 0.00 2.69
assign ((segid A and resid 18 and name HN )) ((segid A and resid 19 and name HN )) 1.80 0.00 2.50
assign ((segid A and resid 18 and name HN )) ((segid A and resid 28 and name HA )) 1.80 0.00 3.37
assign ((segid A and resid 19 and name HA )) ((segid A and resid 20 and name HN )) 1.80 0.00 1.80
assign ((segid A and resid 19 and name HB* )) ((segid A and resid 20 and name HN )) 1.80 0.00 2.50
assign ((segid A and resid 19 and name HN )) ((segid A and resid 20 and name HN )) 1.80 0.00 3.12
assign ((segid A and resid 19 and name HN )) ((segid A and resid 27 and name HB* )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HN )) ((segid A and resid 27 and name HN )) 1.80 0.00 3.00
assign ((segid A and resid 20 and name HA )) ((segid A and resid 21 and name HN )) 1.80 0.00 1.68
assign ((segid A and resid 20 and name HA )) ((segid A and resid 26 and name HA )) 1.80 0.00 2.38
assign ((segid A and resid 20 and name HA )) ((segid A and resid 26 and name HG2* )) 1.80 0.00 1.99
assign ((segid A and resid 20 and name HA )) ((segid A and resid 27 and name HN )) 1.80 0.00 2.74
assign ((segid A and resid 20 and name HB1 )) ((segid A and resid 21 and name HN )) 1.80 0.00 2.95
assign ((segid A and resid 20 and name HB1 )) ((segid A and resid 26 and name HG2* )) 1.80 0.00 2.70
assign ((segid A and resid 20 and name HB2 )) ((segid A and resid 21 and name HN )) 1.80 0.00 2.95
assign ((segid A and resid 20 and name HB2 )) ((segid A and resid 26 and name HG2* )) 1.80 0.00 3.00
assign ((segid A and resid 20 and name HG* )) ((segid A and resid 21 and name HN )) 1.80 0.00 2.02
assign ((segid A and resid 20 and name HG* )) ((segid A and resid 24 and name HN )) 1.80 0.00 3.00
assign ((segid A and resid 20 and name HG* )) ((segid A and resid 25 and name HN )) 1.80 0.00 3.30
assign ((segid A and resid 20 and name HG* )) ((segid A and resid 26 and name HG2* )) 1.80 0.00 3.00
assign ((segid A and resid 20 and name HN )) ((segid A and resid 20 and name HB1 )) 1.80 0.00 2.07
assign ((segid A and resid 20 and name HN )) ((segid A and resid 20 and name HB2 )) 1.80 0.00 2.07
assign ((segid A and resid 20 and name HN )) ((segid A and resid 20 and name HG* )) 1.80 0.00 2.79
assign ((segid A and resid 20 and name HN )) ((segid A and resid 21 and name HN )) 1.80 0.00 3.18
assign ((segid A and resid 21 and name HA )) ((segid A and resid 22 and name HN )) 1.80 0.00 1.56
assign ((segid A and resid 21 and name HB1 )) ((segid A and resid 22 and name HN )) 1.80 0.00 2.61
assign ((segid A and resid 21 and name HB2 )) ((segid A and resid 22 and name HN )) 1.80 0.00 2.61
assign ((segid A and resid 21 and name HN )) ((segid A and resid 22 and name HN )) 1.80 0.00 3.27
assign ((segid A and resid 21 and name HN )) ((segid A and resid 25 and name HN )) 1.80 0.00 2.55
assign ((segid A and resid 21 and name HN )) ((segid A and resid 26 and name HA )) 1.80 0.00 2.72
assign ((segid A and resid 21 and name HN )) ((segid A and resid 26 and name HG2* )) 1.80 0.00 3.00
assign ((segid A and resid 22 and name HA )) ((segid A and resid 22 and name HG* )) 1.80 0.00 2.03
assign ((segid A and resid 22 and name HB* )) ((segid A and resid 23 and name HN )) 1.80 0.00 2.47
assign ((segid A and resid 22 and name HG* )) ((segid A and resid 23 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 22 and name HN )) ((segid A and resid 22 and name HB* )) 1.80 0.00 1.80
assign ((segid A and resid 22 and name HN )) ((segid A and resid 22 and name HG* )) 1.80 0.00 2.50
assign ((segid A and resid 22 and name HN )) ((segid A and resid 23 and name HN )) 1.80 0.00 3.00
assign ((segid A and resid 23 and name HB* )) ((segid A and resid 24 and name HN )) 1.80 0.00 2.23
assign ((segid A and resid 23 and name HN )) ((segid A and resid 23 and name HB1 )) 1.80 0.00 2.46
assign ((segid A and resid 23 and name HN )) ((segid A and resid 23 and name HB2 )) 1.80 0.00 2.46
assign ((segid A and resid 23 and name HN )) ((segid A and resid 24 and name HN )) 1.80 0.00 2.50
assign ((segid A and resid 24 and name HA1 )) ((segid A and resid 48 and name HG* )) 1.80 0.00 3.48
assign ((segid A and resid 24 and name HA2 )) ((segid A and resid 48 and name HG* )) 1.80 0.00 4.25
assign ((segid A and resid 24 and name HN )) ((segid A and resid 25 and name HN )) 1.80 0.00 1.59
assign ((segid A and resid 25 and name HA )) ((segid A and resid 26 and name HN )) 1.80 0.00 1.51
assign ((segid A and resid 25 and name HA )) ((segid A and resid 48 and name HD* )) 1.80 0.00 4.13
assign ((segid A and resid 25 and name HB* )) ((segid A and resid 45 and name HB* )) 1.80 0.00 2.59
assign ((segid A and resid 25 and name HB1 )) ((segid A and resid 26 and name HN )) 1.80 0.00 2.90
assign ((segid A and resid 25 and name HB2 )) ((segid A and resid 26 and name HN )) 1.80 0.00 2.90
assign ((segid A and resid 25 and name HE1 )) ((segid A and resid 47 and name HB* )) 1.80 0.00 4.25
assign ((segid A and resid 25 and name HE1 )) ((segid A and resid 48 and name HD1 )) 1.80 0.00 2.72
assign ((segid A and resid 25 and name HE1 )) ((segid A and resid 48 and name HD2 )) 1.80 0.00 2.72
assign ((segid A and resid 25 and name HE1 )) ((segid A and resid 48 and name HG2 )) 1.80 0.00 3.49
assign ((segid A and resid 25 and name HE1 )) ((segid A and resid 52 and name HE* )) 1.80 0.00 3.67
assign ((segid A and resid 25 and name HH2 )) ((segid A and resid 52 and name HB1 )) 1.80 0.00 3.77
assign ((segid A and resid 25 and name HH2 )) ((segid A and resid 52 and name HB2 )) 1.80 0.00 3.77
assign ((segid A and resid 25 and name HH2 )) ((segid A and resid 52 and name HD* )) 1.80 0.00 2.78
assign ((segid A and resid 25 and name HH2 )) ((segid A and resid 52 and name HG* )) 1.80 0.00 3.80
assign ((segid A and resid 25 and name HH2 )) ((segid A and resid 53 and name HN )) 1.80 0.00 3.41
assign ((segid A and resid 25 and name HN )) ((segid A and resid 25 and name HD1 )) 1.80 0.00 1.86
assign ((segid A and resid 25 and name HN )) ((segid A and resid 26 and name HN )) 1.80 0.00 3.41
assign ((segid A and resid 25 and name HN )) ((segid A and resid 48 and name HD* )) 1.80 0.00 3.29
assign ((segid A and resid 25 and name HZ2 )) ((segid A and resid 52 and name HD1 )) 1.80 0.00 2.63
assign ((segid A and resid 25 and name HZ2 )) ((segid A and resid 52 and name HD2 )) 1.80 0.00 2.63
assign ((segid A and resid 25 and name HZ2 )) ((segid A and resid 52 and name HG* )) 1.80 0.00 2.96
assign ((segid A and resid 25 and name HZ3 )) ((segid A and resid 45 and name HB* )) 1.80 0.00 2.90
assign ((segid A and resid 26 and name HA )) ((segid A and resid 26 and name HG2* )) 1.80 0.00 1.68
assign ((segid A and resid 26 and name HA )) ((segid A and resid 27 and name HN )) 1.80 0.00 1.81
assign ((segid A and resid 26 and name HB )) ((segid A and resid 27 and name HN )) 1.80 0.00 2.51
assign ((segid A and resid 26 and name HG2* )) ((segid A and resid 27 and name HN )) 1.80 0.00 3.03
assign ((segid A and resid 26 and name HN )) ((segid A and resid 26 and name HG2* )) 1.80 0.00 2.10
assign ((segid A and resid 26 and name HN )) ((segid A and resid 45 and name HB* )) 1.80 0.00 3.05
assign ((segid A and resid 26 and name HN )) ((segid A and resid 46 and name HB* )) 1.80 0.00 3.80
assign ((segid A and resid 26 and name HN )) ((segid A and resid 46 and name HN )) 1.80 0.00 2.47
assign ((segid A and resid 27 and name HA )) ((segid A and resid 27 and name HE* )) 1.80 0.00 3.42
assign ((segid A and resid 27 and name HA )) ((segid A and resid 28 and name HN )) 1.80 0.00 2.12
assign ((segid A and resid 27 and name HA )) ((segid A and resid 45 and name HA )) 1.80 0.00 2.61
assign ((segid A and resid 27 and name HA )) ((segid A and resid 45 and name HB* )) 1.80 0.00 2.26
assign ((segid A and resid 27 and name HA )) ((segid A and resid 46 and name HN )) 1.80 0.00 2.95
assign ((segid A and resid 27 and name HB* )) ((segid A and resid 27 and name HD* )) 1.80 0.00 1.71
assign ((segid A and resid 27 and name HB* )) ((segid A and resid 27 and name HE* )) 1.80 0.00 1.57
assign ((segid A and resid 27 and name HB* )) ((segid A and resid 28 and name HN )) 1.80 0.00 2.72
assign ((segid A and resid 27 and name HE* )) ((segid A and resid 45 and name HB* )) 1.80 0.00 3.20
assign ((segid A and resid 27 and name HG* )) ((segid A and resid 27 and name HE* )) 1.80 0.00 1.50
assign ((segid A and resid 27 and name HG* )) ((segid A and resid 28 and name HN )) 1.80 0.00 2.57
assign ((segid A and resid 27 and name HG* )) ((segid A and resid 44 and name HA )) 1.80 0.00 3.33
assign ((segid A and resid 27 and name HG* )) ((segid A and resid 45 and name HB* )) 1.80 0.00 3.20
assign ((segid A and resid 27 and name HG1 )) ((segid A and resid 45 and name HA )) 1.80 0.00 3.80
assign ((segid A and resid 27 and name HG2 )) ((segid A and resid 45 and name HA )) 1.80 0.00 3.80
assign ((segid A and resid 27 and name HN )) ((segid A and resid 27 and name HB* )) 1.80 0.00 1.86
assign ((segid A and resid 27 and name HN )) ((segid A and resid 27 and name HE* )) 1.80 0.00 4.25
assign ((segid A and resid 27 and name HN )) ((segid A and resid 27 and name HG* )) 1.80 0.00 2.95
assign ((segid A and resid 28 and name HA )) ((segid A and resid 29 and name HN )) 1.80 0.00 2.12
assign ((segid A and resid 28 and name HB* )) ((segid A and resid 46 and name HD1 )) 1.80 0.00 4.25
assign ((segid A and resid 28 and name HN )) ((segid A and resid 29 and name HN )) 1.80 0.00 3.41
assign ((segid A and resid 28 and name HN )) ((segid A and resid 44 and name HN )) 1.80 0.00 2.88
assign ((segid A and resid 28 and name HN )) ((segid A and resid 45 and name HA )) 1.80 0.00 2.74
assign ((segid A and resid 28 and name HN )) ((segid A and resid 45 and name HB* )) 1.80 0.00 3.21
assign ((segid A and resid 28 and name HN )) ((segid A and resid 46 and name HD1 )) 1.80 0.00 3.25
assign ((segid A and resid 29 and name HA )) ((segid A and resid 29 and name HD1* )) 1.80 0.00 2.72
assign ((segid A and resid 29 and name HA )) ((segid A and resid 29 and name HG2* )) 1.80 0.00 1.78
assign ((segid A and resid 29 and name HA )) ((segid A and resid 30 and name HN )) 1.80 0.00 1.80
assign ((segid A and resid 29 and name HA )) ((segid A and resid 43 and name HA )) 1.80 0.00 3.40
assign ((segid A and resid 29 and name HA )) ((segid A and resid 43 and name HG2* )) 1.80 0.00 2.48
assign ((segid A and resid 29 and name HA )) ((segid A and resid 44 and name HN )) 1.80 0.00 2.93
assign ((segid A and resid 29 and name HB )) ((segid A and resid 29 and name HD1* )) 1.80 0.00 1.38
assign ((segid A and resid 29 and name HD1* )) ((segid A and resid 64 and name HE* )) 1.80 0.00 3.01
assign ((segid A and resid 29 and name HD1* )) ((segid A and resid 64 and name HZ )) 1.80 0.00 3.19
assign ((segid A and resid 29 and name HD1* )) ((segid A and resid 67 and name HE* )) 1.80 0.00 2.89
assign ((segid A and resid 29 and name HG1* )) ((segid A and resid 30 and name HN )) 1.80 0.00 3.29
assign ((segid A and resid 29 and name HG1* )) ((segid A and resid 43 and name HA )) 1.80 0.00 3.73
assign ((segid A and resid 29 and name HG1* )) ((segid A and resid 43 and name HG2* )) 1.80 0.00 2.50
assign ((segid A and resid 29 and name HG2* )) ((segid A and resid 29 and name HD1* )) 1.80 0.00 1.50
assign ((segid A and resid 29 and name HG2* )) ((segid A and resid 30 and name HN )) 1.80 0.00 2.03
assign ((segid A and resid 29 and name HG2* )) ((segid A and resid 41 and name HA )) 1.80 0.00 3.08
assign ((segid A and resid 29 and name HG2* )) ((segid A and resid 41 and name HB* )) 1.80 0.00 2.74
assign ((segid A and resid 29 and name HG2* )) ((segid A and resid 42 and name HN )) 1.80 0.00 2.29
assign ((segid A and resid 29 and name HG2* )) ((segid A and resid 43 and name HA )) 1.80 0.00 2.43
assign ((segid A and resid 29 and name HG2* )) ((segid A and resid 43 and name HG1* )) 1.80 0.00 2.50
assign ((segid A and resid 29 and name HG2* )) ((segid A and resid 44 and name HN )) 1.80 0.00 3.27
assign ((segid A and resid 29 and name HG2* )) ((segid A and resid 64 and name HD* )) 1.80 0.00 3.63
assign ((segid A and resid 29 and name HG2* )) ((segid A and resid 64 and name HE* )) 1.80 0.00 2.71
assign ((segid A and resid 29 and name HG2* )) ((segid A and resid 64 and name HZ )) 1.80 0.00 1.63
assign ((segid A and resid 29 and name HN )) ((segid A and resid 29 and name HD1* )) 1.80 0.00 2.91
assign ((segid A and resid 30 and name HA )) ((segid A and resid 31 and name HN )) 1.80 0.00 1.80
assign ((segid A and resid 30 and name HB* )) ((segid A and resid 30 and name HD2* )) 1.80 0.00 1.53
assign ((segid A and resid 30 and name HB* )) ((segid A and resid 31 and name HN )) 1.80 0.00 2.04
assign ((segid A and resid 30 and name HB* )) ((segid A and resid 32 and name HG2* )) 1.80 0.00 3.26
assign ((segid A and resid 30 and name HN )) ((segid A and resid 31 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 30 and name HN )) ((segid A and resid 41 and name HA )) 1.80 0.00 4.03
assign ((segid A and resid 30 and name HN )) ((segid A and resid 42 and name HN )) 1.80 0.00 2.82
assign ((segid A and resid 30 and name HN )) ((segid A and resid 43 and name HA )) 1.80 0.00 3.48
assign ((segid A and resid 30 and name HN )) ((segid A and resid 43 and name HG2* )) 1.80 0.00 3.68
assign ((segid A and resid 31 and name HA )) ((segid A and resid 32 and name HN )) 1.80 0.00 1.85
assign ((segid A and resid 31 and name HA )) ((segid A and resid 41 and name HA )) 1.80 0.00 2.71
assign ((segid A and resid 31 and name HA )) ((segid A and resid 42 and name HN )) 1.80 0.00 2.71
assign ((segid A and resid 31 and name HB* )) ((segid A and resid 31 and name HD* )) 1.80 0.00 1.59
assign ((segid A and resid 31 and name HB* )) ((segid A and resid 39 and name HB* )) 1.80 0.00 2.27
assign ((segid A and resid 31 and name HB1 )) ((segid A and resid 31 and name HD1 )) 1.80 0.00 2.59
assign ((segid A and resid 31 and name HB1 )) ((segid A and resid 31 and name HD2 )) 1.80 0.00 2.59
assign ((segid A and resid 31 and name HB1 )) ((segid A and resid 32 and name HN )) 1.80 0.00 2.96
assign ((segid A and resid 31 and name HB2 )) ((segid A and resid 31 and name HD1 )) 1.80 0.00 2.59
assign ((segid A and resid 31 and name HB2 )) ((segid A and resid 31 and name HD2 )) 1.80 0.00 2.59
assign ((segid A and resid 31 and name HB2 )) ((segid A and resid 32 and name HN )) 1.80 0.00 2.96
assign ((segid A and resid 31 and name HD* )) ((segid A and resid 31 and name HH2* )) 1.80 0.00 3.20
assign ((segid A and resid 31 and name HD* )) ((segid A and resid 39 and name HB* )) 1.80 0.00 2.92
assign ((segid A and resid 31 and name HD* )) ((segid A and resid 41 and name HA )) 1.80 0.00 3.62
assign ((segid A and resid 31 and name HD* )) ((segid A and resid 41 and name HD* )) 1.80 0.00 3.20
assign ((segid A and resid 31 and name HE )) ((segid A and resid 39 and name HB* )) 1.80 0.00 2.94
assign ((segid A and resid 31 and name HG* )) ((segid A and resid 32 and name HN )) 1.80 0.00 3.26
assign ((segid A and resid 31 and name HG* )) ((segid A and resid 41 and name HA )) 1.80 0.00 2.47
assign ((segid A and resid 31 and name HG* )) ((segid A and resid 41 and name HD* )) 1.80 0.00 3.38
assign ((segid A and resid 31 and name HG* )) ((segid A and resid 42 and name HN )) 1.80 0.00 3.37
assign ((segid A and resid 31 and name HH2* )) ((segid A and resid 39 and name HB* )) 1.80 0.00 2.42
assign ((segid A and resid 31 and name HN )) ((segid A and resid 31 and name HG* )) 1.80 0.00 2.24
assign ((segid A and resid 32 and name HA )) ((segid A and resid 32 and name HG1* )) 1.80 0.00 1.81
assign ((segid A and resid 32 and name HA )) ((segid A and resid 32 and name HG2* )) 1.80 0.00 2.03
assign ((segid A and resid 32 and name HA )) ((segid A and resid 33 and name HN )) 1.80 0.00 2.09
assign ((segid A and resid 32 and name HB )) ((segid A and resid 33 and name HN )) 1.80 0.00 3.29
assign ((segid A and resid 32 and name HB )) ((segid A and resid 34 and name HZ )) 1.80 0.00 3.00
assign ((segid A and resid 32 and name HG1* )) ((segid A and resid 33 and name HN )) 1.80 0.00 2.07
assign ((segid A and resid 32 and name HG1* )) ((segid A and resid 34 and name HD* )) 1.80 0.00 2.59
assign ((segid A and resid 32 and name HG1* )) ((segid A and resid 34 and name HZ )) 1.80 0.00 2.26
assign ((segid A and resid 32 and name HG2* )) ((segid A and resid 33 and name HN )) 1.80 0.00 3.05
assign ((segid A and resid 32 and name HG2* )) ((segid A and resid 34 and name HZ )) 1.80 0.00 2.80
assign ((segid A and resid 32 and name HG2* )) ((segid A and resid 42 and name HB* )) 1.80 0.00 2.15
assign ((segid A and resid 32 and name HN )) ((segid A and resid 32 and name HB )) 1.80 0.00 2.38
assign ((segid A and resid 32 and name HN )) ((segid A and resid 32 and name HG1* )) 1.80 0.00 2.67
assign ((segid A and resid 32 and name HN )) ((segid A and resid 32 and name HG2* )) 1.80 0.00 2.01
assign ((segid A and resid 32 and name HN )) ((segid A and resid 33 and name HN )) 1.80 0.00 3.33
assign ((segid A and resid 32 and name HN )) ((segid A and resid 39 and name HA )) 1.80 0.00 3.42
assign ((segid A and resid 32 and name HN )) ((segid A and resid 39 and name HB* )) 1.80 0.00 2.41
assign ((segid A and resid 32 and name HN )) ((segid A and resid 40 and name HN )) 1.80 0.00 2.42
assign ((segid A and resid 32 and name HN )) ((segid A and resid 42 and name HB* )) 1.80 0.00 2.86
assign ((segid A and resid 33 and name HA )) ((segid A and resid 34 and name HN )) 1.80 0.00 1.80
assign ((segid A and resid 33 and name HA )) ((segid A and resid 39 and name HA )) 1.80 0.00 2.61
assign ((segid A and resid 33 and name HA )) ((segid A and resid 39 and name HB* )) 1.80 0.00 2.50
assign ((segid A and resid 33 and name HA )) ((segid A and resid 39 and name HN )) 1.80 0.00 3.11
assign ((segid A and resid 33 and name HA )) ((segid A and resid 40 and name HN )) 1.80 0.00 2.80
assign ((segid A and resid 33 and name HB* )) ((segid A and resid 39 and name HB* )) 1.80 0.00 2.02
assign ((segid A and resid 33 and name HN )) ((segid A and resid 34 and name HN )) 1.80 0.00 3.39
assign ((segid A and resid 33 and name HN )) ((segid A and resid 39 and name HB* )) 1.80 0.00 3.49
assign ((segid A and resid 34 and name HA )) ((segid A and resid 34 and name HD* )) 1.80 0.00 2.55
assign ((segid A and resid 34 and name HA )) ((segid A and resid 35 and name HN )) 1.80 0.00 1.79
assign ((segid A and resid 34 and name HB* )) ((segid A and resid 35 and name HN )) 1.80 0.00 2.50
assign ((segid A and resid 34 and name HD* )) ((segid A and resid 35 and name HN )) 1.80 0.00 3.27
assign ((segid A and resid 34 and name HN )) ((segid A and resid 34 and name HD* )) 1.80 0.00 2.83
assign ((segid A and resid 34 and name HZ )) ((segid A and resid 58 and name HG2* )) 1.80 0.00 3.00
assign ((segid A and resid 35 and name HA )) ((segid A and resid 36 and name HN )) 1.80 0.00 1.80
assign ((segid A and resid 35 and name HB* )) ((segid A and resid 35 and name HD2* )) 1.80 0.00 1.53
assign ((segid A and resid 35 and name HB* )) ((segid A and resid 36 and name HN )) 1.80 0.00 2.20
assign ((segid A and resid 35 and name HN )) ((segid A and resid 36 and name HN )) 1.80 0.00 2.80
assign ((segid A and resid 36 and name HA* )) ((segid A and resid 37 and name HN )) 1.80 0.00 1.60
assign ((segid A and resid 36 and name HN )) ((segid A and resid 37 and name HN )) 1.80 0.00 3.00
assign ((segid A and resid 37 and name HA )) ((segid A and resid 38 and name HD* )) 1.80 0.00 1.54
assign ((segid A and resid 37 and name HB* )) ((segid A and resid 38 and name HD* )) 1.80 0.00 3.20
assign ((segid A and resid 37 and name HB* )) ((segid A and resid 38 and name HG* )) 1.80 0.00 3.20
assign ((segid A and resid 37 and name HN )) ((segid A and resid 37 and name HB* )) 1.80 0.00 1.50
assign ((segid A and resid 38 and name HA )) ((segid A and resid 39 and name HB* )) 1.80 0.00 2.71
assign ((segid A and resid 38 and name HA )) ((segid A and resid 39 and name HN )) 1.80 0.00 2.00
assign ((segid A and resid 38 and name HB* )) ((segid A and resid 39 and name HN )) 1.80 0.00 2.18
assign ((segid A and resid 38 and name HG* )) ((segid A and resid 39 and name HN )) 1.80 0.00 3.58
assign ((segid A and resid 39 and name HA )) ((segid A and resid 40 and name HB* )) 1.80 0.00 3.27
assign ((segid A and resid 39 and name HA )) ((segid A and resid 40 and name HN )) 1.80 0.00 1.87
assign ((segid A and resid 39 and name HB* )) ((segid A and resid 40 and name HN )) 1.80 0.00 1.91
assign ((segid A and resid 39 and name HN )) ((segid A and resid 39 and name HB* )) 1.80 0.00 1.43
assign ((segid A and resid 39 and name HN )) ((segid A and resid 40 and name HN )) 1.80 0.00 3.22
assign ((segid A and resid 40 and name HA )) ((segid A and resid 40 and name HD* )) 1.80 0.00 2.80
assign ((segid A and resid 40 and name HA )) ((segid A and resid 41 and name HN )) 1.80 0.00 1.67
assign ((segid A and resid 40 and name HB* )) ((segid A and resid 40 and name HE* )) 1.80 0.00 2.39
assign ((segid A and resid 40 and name HB* )) ((segid A and resid 41 and name HN )) 1.80 0.00 2.08
assign ((segid A and resid 40 and name HD* )) ((segid A and resid 41 and name HN )) 1.80 0.00 3.30
assign ((segid A and resid 40 and name HD* )) ((segid A and resid 60 and name HA )) 1.80 0.00 3.49
assign ((segid A and resid 40 and name HD* )) ((segid A and resid 61 and name HN )) 1.80 0.00 3.47
assign ((segid A and resid 40 and name HE* )) ((segid A and resid 60 and name HA )) 1.80 0.00 3.00
assign ((segid A and resid 40 and name HE* )) ((segid A and resid 61 and name HN )) 1.80 0.00 3.00
assign ((segid A and resid 40 and name HG* )) ((segid A and resid 40 and name HE* )) 1.80 0.00 1.57
assign ((segid A and resid 40 and name HG* )) ((segid A and resid 60 and name HA )) 1.80 0.00 2.97
assign ((segid A and resid 40 and name HG1 )) ((segid A and resid 41 and name HN )) 1.80 0.00 3.48
assign ((segid A and resid 40 and name HG2 )) ((segid A and resid 41 and name HN )) 1.80 0.00 3.48
assign ((segid A and resid 40 and name HN )) ((segid A and resid 40 and name HB* )) 1.80 0.00 2.12
assign ((segid A and resid 40 and name HN )) ((segid A and resid 40 and name HD* )) 1.80 0.00 3.15
assign ((segid A and resid 41 and name HA )) ((segid A and resid 41 and name HD* )) 1.80 0.00 2.89
assign ((segid A and resid 41 and name HA )) ((segid A and resid 42 and name HN )) 1.80 0.00 1.92
assign ((segid A and resid 41 and name HB* )) ((segid A and resid 59 and name HN )) 1.80 0.00 3.78
assign ((segid A and resid 41 and name HB* )) ((segid A and resid 64 and name HZ )) 1.80 0.00 3.60
assign ((segid A and resid 41 and name HB1 )) ((segid A and resid 42 and name HN )) 1.80 0.00 3.13
assign ((segid A and resid 41 and name HB1 )) ((segid A and resid 59 and name HD1* )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HB2 )) ((segid A and resid 42 and name HN )) 1.80 0.00 3.13
assign ((segid A and resid 41 and name HB2 )) ((segid A and resid 59 and name HD1* )) 1.80 0.00 3.90
assign ((segid A and resid 41 and name HD* )) ((segid A and resid 42 and name HN )) 1.80 0.00 3.07
assign ((segid A and resid 41 and name HD* )) ((segid A and resid 61 and name HA )) 1.80 0.00 2.60
assign ((segid A and resid 41 and name HD* )) ((segid A and resid 64 and name HA )) 1.80 0.00 3.76
assign ((segid A and resid 41 and name HN )) ((segid A and resid 41 and name HB1 )) 1.80 0.00 2.41
assign ((segid A and resid 41 and name HN )) ((segid A and resid 41 and name HB2 )) 1.80 0.00 2.41
assign ((segid A and resid 41 and name HN )) ((segid A and resid 41 and name HD* )) 1.80 0.00 2.22
assign ((segid A and resid 41 and name HN )) ((segid A and resid 42 and name HN )) 1.80 0.00 3.27
assign ((segid A and resid 41 and name HN )) ((segid A and resid 59 and name HN )) 1.80 0.00 3.84
assign ((segid A and resid 42 and name HA )) ((segid A and resid 43 and name HN )) 1.80 0.00 1.95
assign ((segid A and resid 42 and name HA )) ((segid A and resid 57 and name HG2* )) 1.80 0.00 3.46
assign ((segid A and resid 42 and name HA )) ((segid A and resid 58 and name HA )) 1.80 0.00 2.63
assign ((segid A and resid 42 and name HA )) ((segid A and resid 58 and name HG2* )) 1.80 0.00 2.35
assign ((segid A and resid 42 and name HA )) ((segid A and resid 59 and name HD1* )) 1.80 0.00 3.56
assign ((segid A and resid 42 and name HA )) ((segid A and resid 59 and name HG )) 1.80 0.00 3.71
assign ((segid A and resid 42 and name HA )) ((segid A and resid 59 and name HN )) 1.80 0.00 3.13
assign ((segid A and resid 42 and name HB* )) ((segid A and resid 59 and name HN )) 1.80 0.00 4.07
assign ((segid A and resid 42 and name HN )) ((segid A and resid 58 and name HA )) 1.80 0.00 4.25
assign ((segid A and resid 43 and name HA )) ((segid A and resid 43 and name HD1* )) 1.80 0.00 2.51
assign ((segid A and resid 43 and name HA )) ((segid A and resid 43 and name HG2* )) 1.80 0.00 1.83
assign ((segid A and resid 43 and name HA )) ((segid A and resid 44 and name HN )) 1.80 0.00 1.80
assign ((segid A and resid 43 and name HA )) ((segid A and resid 57 and name HG2* )) 1.80 0.00 3.71
assign ((segid A and resid 43 and name HB )) ((segid A and resid 43 and name HD1* )) 1.80 0.00 1.67
assign ((segid A and resid 43 and name HB )) ((segid A and resid 57 and name HG2* )) 1.80 0.00 1.83
assign ((segid A and resid 43 and name HB )) ((segid A and resid 57 and name HN )) 1.80 0.00 2.88
assign ((segid A and resid 43 and name HD1* )) ((segid A and resid 57 and name HG2* )) 1.80 0.00 2.50
assign ((segid A and resid 43 and name HD1* )) ((segid A and resid 58 and name HA )) 1.80 0.00 4.25
assign ((segid A and resid 43 and name HD1* )) ((segid A and resid 59 and name HD2* )) 1.80 0.00 3.03
assign ((segid A and resid 43 and name HD1* )) ((segid A and resid 64 and name HD* )) 1.80 0.00 3.80
assign ((segid A and resid 43 and name HD1* )) ((segid A and resid 64 and name HE* )) 1.80 0.00 2.69
assign ((segid A and resid 43 and name HD1* )) ((segid A and resid 67 and name HE* )) 1.80 0.00 2.45
assign ((segid A and resid 43 and name HG1* )) ((segid A and resid 57 and name HG2* )) 1.80 0.00 2.01
assign ((segid A and resid 43 and name HG1* )) ((segid A and resid 57 and name HN )) 1.80 0.00 3.79
assign ((segid A and resid 43 and name HG2* )) ((segid A and resid 43 and name HG1* )) 1.80 0.00 1.59
assign ((segid A and resid 43 and name HG2* )) ((segid A and resid 44 and name HN )) 1.80 0.00 2.25
assign ((segid A and resid 43 and name HG2* )) ((segid A and resid 57 and name HN )) 1.80 0.00 4.25
assign ((segid A and resid 43 and name HG2* )) ((segid A and resid 64 and name HE* )) 1.80 0.00 4.25
assign ((segid A and resid 43 and name HN )) ((segid A and resid 43 and name HD1* )) 1.80 0.00 2.60
assign ((segid A and resid 43 and name HN )) ((segid A and resid 43 and name HG11 )) 1.80 0.00 2.92
assign ((segid A and resid 43 and name HN )) ((segid A and resid 43 and name HG12 )) 1.80 0.00 2.92
assign ((segid A and resid 43 and name HN )) ((segid A and resid 43 and name HG2* )) 1.80 0.00 2.57
assign ((segid A and resid 43 and name HN )) ((segid A and resid 57 and name HG2* )) 1.80 0.00 2.02
assign ((segid A and resid 43 and name HN )) ((segid A and resid 57 and name HN )) 1.80 0.00 2.53
assign ((segid A and resid 43 and name HN )) ((segid A and resid 58 and name HA )) 1.80 0.00 2.82
assign ((segid A and resid 43 and name HN )) ((segid A and resid 58 and name HG2* )) 1.80 0.00 3.49
assign ((segid A and resid 43 and name HN )) ((segid A and resid 59 and name HD1* )) 1.80 0.00 3.55
assign ((segid A and resid 43 and name HN )) ((segid A and resid 59 and name HG )) 1.80 0.00 3.81
assign ((segid A and resid 43 and name HN )) ((segid A and resid 59 and name HN )) 1.80 0.00 3.79
assign ((segid A and resid 44 and name HA )) ((segid A and resid 45 and name HN )) 1.80 0.00 2.00
assign ((segid A and resid 44 and name HB* )) ((segid A and resid 45 and name HN )) 1.80 0.00 2.00
assign ((segid A and resid 44 and name HN )) ((segid A and resid 45 and name HN )) 1.80 0.00 3.60
assign ((segid A and resid 45 and name HA )) ((segid A and resid 46 and name HN )) 1.80 0.00 2.10
assign ((segid A and resid 45 and name HB* )) ((segid A and resid 46 and name HN )) 1.80 0.00 1.89
assign ((segid A and resid 45 and name HB* )) ((segid A and resid 54 and name HA* )) 1.80 0.00 2.50
assign ((segid A and resid 45 and name HB* )) ((segid A and resid 55 and name HN )) 1.80 0.00 4.25
assign ((segid A and resid 45 and name HN )) ((segid A and resid 45 and name HB* )) 1.80 0.00 1.62
assign ((segid A and resid 46 and name HA )) ((segid A and resid 47 and name HN )) 1.80 0.00 2.01
assign ((segid A and resid 46 and name HB* )) ((segid A and resid 47 and name HN )) 1.80 0.00 2.30
assign ((segid A and resid 46 and name HN )) ((segid A and resid 46 and name HD1 )) 1.80 0.00 3.25
assign ((segid A and resid 46 and name HN )) ((segid A and resid 47 and name HN )) 1.80 0.00 3.67
assign ((segid A and resid 49 and name HA )) ((segid A and resid 50 and name HN )) 1.80 0.00 2.00
assign ((segid A and resid 49 and name HB* )) ((segid A and resid 50 and name HN )) 1.80 0.00 2.20
assign ((segid A and resid 49 and name HN )) ((segid A and resid 50 and name HN )) 1.80 0.00 3.00
assign ((segid A and resid 50 and name HA )) ((segid A and resid 50 and name HD* )) 1.80 0.00 3.29
assign ((segid A and resid 50 and name HA )) ((segid A and resid 51 and name HN )) 1.80 0.00 2.00
assign ((segid A and resid 50 and name HN )) ((segid A and resid 51 and name HN )) 1.80 0.00 2.66
assign ((segid A and resid 51 and name HA )) ((segid A and resid 51 and name HG2* )) 1.80 0.00 1.81
assign ((segid A and resid 51 and name HA )) ((segid A and resid 52 and name HN )) 1.80 0.00 2.10
assign ((segid A and resid 51 and name HB )) ((segid A and resid 52 and name HN )) 1.80 0.00 3.28
assign ((segid A and resid 51 and name HG2* )) ((segid A and resid 52 and name HN )) 1.80 0.00 2.50
assign ((segid A and resid 51 and name HN )) ((segid A and resid 51 and name HG2* )) 1.80 0.00 2.20
assign ((segid A and resid 51 and name HN )) ((segid A and resid 52 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 52 and name HA )) ((segid A and resid 52 and name HD* )) 1.80 0.00 2.67
assign ((segid A and resid 52 and name HA )) ((segid A and resid 52 and name HG* )) 1.80 0.00 1.98
assign ((segid A and resid 52 and name HA )) ((segid A and resid 53 and name HN )) 1.80 0.00 1.80
assign ((segid A and resid 52 and name HB* )) ((segid A and resid 52 and name HD1 )) 1.80 0.00 1.65
assign ((segid A and resid 52 and name HB* )) ((segid A and resid 52 and name HD2 )) 1.80 0.00 1.65
assign ((segid A and resid 52 and name HB1 )) ((segid A and resid 52 and name HD* )) 1.80 0.00 1.72
assign ((segid A and resid 52 and name HB1 )) ((segid A and resid 52 and name HE* )) 1.80 0.00 3.67
assign ((segid A and resid 52 and name HB1 )) ((segid A and resid 53 and name HN )) 1.80 0.00 2.54
assign ((segid A and resid 52 and name HB2 )) ((segid A and resid 52 and name HD* )) 1.80 0.00 1.72
assign ((segid A and resid 52 and name HB2 )) ((segid A and resid 52 and name HE* )) 1.80 0.00 3.67
assign ((segid A and resid 52 and name HB2 )) ((segid A and resid 53 and name HN )) 1.80 0.00 2.24
assign ((segid A and resid 52 and name HD1 )) ((segid A and resid 52 and name HE* )) 1.80 0.00 1.51
assign ((segid A and resid 52 and name HD2 )) ((segid A and resid 52 and name HE* )) 1.80 0.00 1.51
assign ((segid A and resid 52 and name HG* )) ((segid A and resid 52 and name HE* )) 1.80 0.00 1.31
assign ((segid A and resid 52 and name HG* )) ((segid A and resid 53 and name HN )) 1.80 0.00 3.00
assign ((segid A and resid 52 and name HN )) ((segid A and resid 52 and name HG* )) 1.80 0.00 2.41
assign ((segid A and resid 52 and name HN )) ((segid A and resid 53 and name HN )) 1.80 0.00 3.80
assign ((segid A and resid 53 and name HA )) ((segid A and resid 54 and name HN )) 1.80 0.00 1.80
assign ((segid A and resid 53 and name HB* )) ((segid A and resid 53 and name HE* )) 1.80 0.00 1.92
assign ((segid A and resid 53 and name HB1 )) ((segid A and resid 54 and name HN )) 1.80 0.00 3.02
assign ((segid A and resid 53 and name HB2 )) ((segid A and resid 54 and name HN )) 1.80 0.00 3.02
assign ((segid A and resid 53 and name HG* )) ((segid A and resid 53 and name HE* )) 1.80 0.00 2.05
assign ((segid A and resid 53 and name HG* )) ((segid A and resid 54 and name HN )) 1.80 0.00 2.90
assign ((segid A and resid 53 and name HN )) ((segid A and resid 53 and name HG* )) 1.80 0.00 2.30
assign ((segid A and resid 53 and name HN )) ((segid A and resid 54 and name HN )) 1.80 0.00 3.48
assign ((segid A and resid 54 and name HA1 )) ((segid A and resid 55 and name HN )) 1.80 0.00 1.95
assign ((segid A and resid 54 and name HA2 )) ((segid A and resid 55 and name HN )) 1.80 0.00 1.95
assign ((segid A and resid 54 and name HN )) ((segid A and resid 55 and name HN )) 1.80 0.00 3.44
assign ((segid A and resid 55 and name HA )) ((segid A and resid 55 and name HD* )) 1.80 0.00 2.67
assign ((segid A and resid 55 and name HA )) ((segid A and resid 55 and name HG* )) 1.80 0.00 1.67
assign ((segid A and resid 55 and name HA )) ((segid A and resid 56 and name HN )) 1.80 0.00 1.83
assign ((segid A and resid 55 and name HB* )) ((segid A and resid 55 and name HD* )) 1.80 0.00 1.50
assign ((segid A and resid 55 and name HB* )) ((segid A and resid 55 and name HE* )) 1.80 0.00 3.51
assign ((segid A and resid 55 and name HB* )) ((segid A and resid 56 and name HN )) 1.80 0.00 2.05
assign ((segid A and resid 55 and name HG* )) ((segid A and resid 56 and name HN )) 1.80 0.00 2.69
assign ((segid A and resid 55 and name HG1 )) ((segid A and resid 55 and name HE* )) 1.80 0.00 1.49
assign ((segid A and resid 55 and name HG2 )) ((segid A and resid 55 and name HE* )) 1.80 0.00 1.49
assign ((segid A and resid 55 and name HN )) ((segid A and resid 55 and name HB* )) 1.80 0.00 1.63
assign ((segid A and resid 55 and name HN )) ((segid A and resid 55 and name HD* )) 1.80 0.00 2.78
assign ((segid A and resid 55 and name HN )) ((segid A and resid 55 and name HG* )) 1.80 0.00 2.07
assign ((segid A and resid 55 and name HN )) ((segid A and resid 56 and name HN )) 1.80 0.00 3.34
assign ((segid A and resid 56 and name HA* )) ((segid A and resid 57 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 56 and name HN )) ((segid A and resid 57 and name HN )) 1.80 0.00 3.17
assign ((segid A and resid 57 and name HA )) ((segid A and resid 57 and name HG1* )) 1.80 0.00 2.12
assign ((segid A and resid 57 and name HA )) ((segid A and resid 58 and name HN )) 1.80 0.00 1.80
assign ((segid A and resid 57 and name HB )) ((segid A and resid 57 and name HD1* )) 1.80 0.00 1.41
assign ((segid A and resid 57 and name HB )) ((segid A and resid 58 and name HN )) 1.80 0.00 2.67
assign ((segid A and resid 57 and name HD1* )) ((segid A and resid 58 and name HN )) 1.80 0.00 2.53
assign ((segid A and resid 57 and name HG1* )) ((segid A and resid 58 and name HN )) 1.80 0.00 1.82
assign ((segid A and resid 57 and name HG2* )) ((segid A and resid 57 and name HD1* )) 1.80 0.00 2.22
assign ((segid A and resid 57 and name HG2* )) ((segid A and resid 57 and name HG1* )) 1.80 0.00 1.65
assign ((segid A and resid 57 and name HG2* )) ((segid A and resid 58 and name HN )) 1.80 0.00 2.37
assign ((segid A and resid 57 and name HN )) ((segid A and resid 57 and name HB )) 1.80 0.00 2.36
assign ((segid A and resid 57 and name HN )) ((segid A and resid 57 and name HG1* )) 1.80 0.00 3.32
assign ((segid A and resid 57 and name HN )) ((segid A and resid 57 and name HG2* )) 1.80 0.00 1.58
assign ((segid A and resid 57 and name HN )) ((segid A and resid 58 and name HN )) 1.80 0.00 3.30
assign ((segid A and resid 58 and name HA )) ((segid A and resid 58 and name HG2* )) 1.80 0.00 1.92
assign ((segid A and resid 58 and name HA )) ((segid A and resid 59 and name HN )) 1.80 0.00 2.01
assign ((segid A and resid 58 and name HB )) ((segid A and resid 59 and name HN )) 1.80 0.00 2.80
assign ((segid A and resid 58 and name HG2* )) ((segid A and resid 59 and name HN )) 1.80 0.00 3.00
assign ((segid A and resid 58 and name HN )) ((segid A and resid 58 and name HB )) 1.80 0.00 2.28
assign ((segid A and resid 58 and name HN )) ((segid A and resid 58 and name HG2* )) 1.80 0.00 2.45
assign ((segid A and resid 58 and name HN )) ((segid A and resid 59 and name HN )) 1.80 0.00 3.28
assign ((segid A and resid 59 and name HA )) ((segid A and resid 59 and name HD1* )) 1.80 0.00 2.50
assign ((segid A and resid 59 and name HA )) ((segid A and resid 59 and name HD2* )) 1.80 0.00 1.80
assign ((segid A and resid 59 and name HA )) ((segid A and resid 60 and name HN )) 1.80 0.00 1.68
assign ((segid A and resid 59 and name HB* )) ((segid A and resid 59 and name HD1* )) 1.80 0.00 1.41
assign ((segid A and resid 59 and name HB* )) ((segid A and resid 59 and name HD2* )) 1.80 0.00 1.39
assign ((segid A and resid 59 and name HD1* )) ((segid A and resid 60 and name HN )) 1.80 0.00 3.79
assign ((segid A and resid 59 and name HD2* )) ((segid A and resid 60 and name HN )) 1.80 0.00 2.54
assign ((segid A and resid 59 and name HN )) ((segid A and resid 59 and name HD1* )) 1.80 0.00 2.93
assign ((segid A and resid 59 and name HN )) ((segid A and resid 59 and name HD2* )) 1.80 0.00 3.05
assign ((segid A and resid 59 and name HN )) ((segid A and resid 59 and name HG )) 1.80 0.00 2.42
assign ((segid A and resid 60 and name HA )) ((segid A and resid 61 and name HN )) 1.80 0.00 1.81
assign ((segid A and resid 60 and name HB* )) ((segid A and resid 61 and name HN )) 1.80 0.00 1.83
assign ((segid A and resid 61 and name HA )) ((segid A and resid 62 and name HN )) 1.80 0.00 2.00
assign ((segid A and resid 61 and name HA )) ((segid A and resid 64 and name HB* )) 1.80 0.00 3.09
assign ((segid A and resid 61 and name HA )) ((segid A and resid 65 and name HN )) 1.80 0.00 3.44
assign ((segid A and resid 61 and name HB* )) ((segid A and resid 61 and name HD2* )) 1.80 0.00 1.39
assign ((segid A and resid 61 and name HB* )) ((segid A and resid 62 and name HN )) 1.80 0.00 1.72
assign ((segid A and resid 61 and name HD2* )) ((segid A and resid 62 and name HN )) 1.80 0.00 3.32
assign ((segid A and resid 61 and name HN )) ((segid A and resid 61 and name HB* )) 1.80 0.00 1.86
assign ((segid A and resid 61 and name HN )) ((segid A and resid 62 and name HN )) 1.80 0.00 2.07
assign ((segid A and resid 62 and name HA )) ((segid A and resid 62 and name HG1 )) 1.80 0.00 2.55
assign ((segid A and resid 62 and name HA )) ((segid A and resid 62 and name HG2 )) 1.80 0.00 2.55
assign ((segid A and resid 62 and name HA )) ((segid A and resid 63 and name HN )) 1.80 0.00 2.00
assign ((segid A and resid 62 and name HA )) ((segid A and resid 65 and name HB* )) 1.80 0.00 2.45
assign ((segid A and resid 62 and name HA )) ((segid A and resid 65 and name HN )) 1.80 0.00 3.05
assign ((segid A and resid 62 and name HA )) ((segid A and resid 66 and name HN )) 1.80 0.00 2.90
assign ((segid A and resid 62 and name HB* )) ((segid A and resid 63 and name HN )) 1.80 0.00 2.43
assign ((segid A and resid 62 and name HG1 )) ((segid A and resid 63 and name HN )) 1.80 0.00 3.34
assign ((segid A and resid 62 and name HG2 )) ((segid A and resid 63 and name HN )) 1.80 0.00 3.34
assign ((segid A and resid 62 and name HN )) ((segid A and resid 62 and name HB* )) 1.80 0.00 1.51
assign ((segid A and resid 62 and name HN )) ((segid A and resid 62 and name HG1 )) 1.80 0.00 2.86
assign ((segid A and resid 62 and name HN )) ((segid A and resid 62 and name HG2 )) 1.80 0.00 3.20
assign ((segid A and resid 62 and name HN )) ((segid A and resid 63 and name HN )) 1.80 0.00 2.19
assign ((segid A and resid 63 and name HA )) ((segid A and resid 63 and name HG* )) 1.80 0.00 2.20
assign ((segid A and resid 63 and name HA )) ((segid A and resid 64 and name HN )) 1.80 0.00 2.00
assign ((segid A and resid 63 and name HA )) ((segid A and resid 66 and name HB )) 1.80 0.00 2.75
assign ((segid A and resid 63 and name HA )) ((segid A and resid 66 and name HG2* )) 1.80 0.00 3.02
assign ((segid A and resid 63 and name HA )) ((segid A and resid 66 and name HN )) 1.80 0.00 2.69
assign ((segid A and resid 63 and name HA )) ((segid A and resid 67 and name HN )) 1.80 0.00 3.58
assign ((segid A and resid 63 and name HB* )) ((segid A and resid 64 and name HN )) 1.80 0.00 2.02
assign ((segid A and resid 63 and name HG* )) ((segid A and resid 64 and name HN )) 1.80 0.00 3.24
assign ((segid A and resid 63 and name HN )) ((segid A and resid 64 and name HB* )) 1.80 0.00 2.96
assign ((segid A and resid 63 and name HN )) ((segid A and resid 64 and name HN )) 1.80 0.00 2.47
assign ((segid A and resid 64 and name HA )) ((segid A and resid 64 and name HD* )) 1.80 0.00 2.35
assign ((segid A and resid 64 and name HA )) ((segid A and resid 64 and name HE* )) 1.80 0.00 3.36
assign ((segid A and resid 64 and name HA )) ((segid A and resid 65 and name HN )) 1.80 0.00 2.00
assign ((segid A and resid 64 and name HA )) ((segid A and resid 67 and name HE* )) 1.80 0.00 2.00
assign ((segid A and resid 64 and name HA )) ((segid A and resid 67 and name HB* )) 1.80 0.00 2.50
assign ((segid A and resid 64 and name HA )) ((segid A and resid 67 and name HN )) 1.80 0.00 3.05
assign ((segid A and resid 64 and name HA )) ((segid A and resid 68 and name HN )) 1.80 0.00 3.42
assign ((segid A and resid 64 and name HB* )) ((segid A and resid 65 and name HN )) 1.80 0.00 2.18
assign ((segid A and resid 64 and name HD* )) ((segid A and resid 64 and name HZ )) 1.80 0.00 2.60
assign ((segid A and resid 64 and name HD* )) ((segid A and resid 65 and name HN )) 1.80 0.00 3.44
assign ((segid A and resid 64 and name HD* )) ((segid A and resid 67 and name HE* )) 1.80 0.00 1.33
assign ((segid A and resid 64 and name HD* )) ((segid A and resid 68 and name HG2* )) 1.80 0.00 2.90
assign ((segid A and resid 64 and name HE* )) ((segid A and resid 67 and name HE* )) 1.80 0.00 1.37
assign ((segid A and resid 64 and name HN )) ((segid A and resid 64 and name HB* )) 1.80 0.00 1.96
assign ((segid A and resid 64 and name HN )) ((segid A and resid 64 and name HD* )) 1.80 0.00 3.22
assign ((segid A and resid 64 and name HN )) ((segid A and resid 65 and name HN )) 1.80 0.00 2.20
assign ((segid A and resid 65 and name HA )) ((segid A and resid 65 and name HE21 )) 1.80 0.00 3.02
assign ((segid A and resid 65 and name HA )) ((segid A and resid 65 and name HE22 )) 1.80 0.00 3.06
assign ((segid A and resid 65 and name HA )) ((segid A and resid 65 and name HG1 )) 1.80 0.00 2.38
assign ((segid A and resid 65 and name HA )) ((segid A and resid 65 and name HG2 )) 1.80 0.00 2.38
assign ((segid A and resid 65 and name HA )) ((segid A and resid 66 and name HN )) 1.80 0.00 1.80
assign ((segid A and resid 65 and name HA )) ((segid A and resid 68 and name HB )) 1.80 0.00 2.26
assign ((segid A and resid 65 and name HA )) ((segid A and resid 68 and name HG1* )) 1.80 0.00 2.43
assign ((segid A and resid 65 and name HA )) ((segid A and resid 68 and name HG2* )) 1.80 0.00 1.93
assign ((segid A and resid 65 and name HA )) ((segid A and resid 68 and name HN )) 1.80 0.00 2.50
assign ((segid A and resid 65 and name HA )) ((segid A and resid 69 and name HN )) 1.80 0.00 2.97
assign ((segid A and resid 65 and name HB* )) ((segid A and resid 65 and name HE21 )) 1.80 0.00 2.99
assign ((segid A and resid 65 and name HB* )) ((segid A and resid 66 and name HN )) 1.80 0.00 1.96
assign ((segid A and resid 65 and name HE21 )) ((segid A and resid 68 and name HB )) 1.80 0.00 2.95
assign ((segid A and resid 65 and name HE21 )) ((segid A and resid 68 and name HG1* )) 1.80 0.00 3.33
assign ((segid A and resid 65 and name HE22 )) ((segid A and resid 68 and name HB )) 1.80 0.00 3.14
assign ((segid A and resid 65 and name HE22 )) ((segid A and resid 68 and name HG1* )) 1.80 0.00 2.47
assign ((segid A and resid 65 and name HG1 )) ((segid A and resid 65 and name HE21 )) 1.80 0.00 1.75
assign ((segid A and resid 65 and name HG1 )) ((segid A and resid 66 and name HN )) 1.80 0.00 3.62
assign ((segid A and resid 65 and name HG2 )) ((segid A and resid 65 and name HE21 )) 1.80 0.00 1.75
assign ((segid A and resid 65 and name HG2 )) ((segid A and resid 66 and name HN )) 1.80 0.00 3.62
assign ((segid A and resid 65 and name HN )) ((segid A and resid 65 and name HB1 )) 1.80 0.00 1.83
assign ((segid A and resid 65 and name HN )) ((segid A and resid 65 and name HB2 )) 1.80 0.00 1.83
assign ((segid A and resid 65 and name HN )) ((segid A and resid 65 and name HG* )) 1.80 0.00 3.08
assign ((segid A and resid 65 and name HN )) ((segid A and resid 66 and name HN )) 1.80 0.00 1.92
assign ((segid A and resid 66 and name HA )) ((segid A and resid 66 and name HG2* )) 1.80 0.00 1.51
assign ((segid A and resid 66 and name HA )) ((segid A and resid 67 and name HN )) 1.80 0.00 1.80
assign ((segid A and resid 66 and name HA )) ((segid A and resid 69 and name HB* )) 1.80 0.00 2.80
assign ((segid A and resid 66 and name HA )) ((segid A and resid 69 and name HN )) 1.80 0.00 2.72
assign ((segid A and resid 66 and name HA )) ((segid A and resid 70 and name HN )) 1.80 0.00 3.00
assign ((segid A and resid 66 and name HB )) ((segid A and resid 67 and name HN )) 1.80 0.00 2.53
assign ((segid A and resid 66 and name HG2* )) ((segid A and resid 67 and name HN )) 1.80 0.00 2.14
assign ((segid A and resid 66 and name HN )) ((segid A and resid 66 and name HB )) 1.80 0.00 1.93
assign ((segid A and resid 66 and name HN )) ((segid A and resid 66 and name HG2* )) 1.80 0.00 2.35
assign ((segid A and resid 66 and name HN )) ((segid A and resid 67 and name HN )) 1.80 0.00 1.96
assign ((segid A and resid 67 and name HA )) ((segid A and resid 68 and name HN )) 1.80 0.00 1.80
assign ((segid A and resid 67 and name HA )) ((segid A and resid 70 and name HB* )) 1.80 0.00 1.97
assign ((segid A and resid 67 and name HA )) ((segid A and resid 70 and name HN )) 1.80 0.00 2.46
assign ((segid A and resid 67 and name HA )) ((segid A and resid 71 and name HN )) 1.80 0.00 2.48
assign ((segid A and resid 67 and name HB* )) ((segid A and resid 68 and name HN )) 1.80 0.00 2.69
assign ((segid A and resid 67 and name HE* )) ((segid A and resid 68 and name HG2* )) 1.80 0.00 1.60
assign ((segid A and resid 67 and name HE* )) ((segid A and resid 68 and name HN )) 1.80 0.00 2.38
assign ((segid A and resid 67 and name HG1 )) ((segid A and resid 68 and name HN )) 1.80 0.00 3.35
assign ((segid A and resid 67 and name HG2 )) ((segid A and resid 68 and name HN )) 1.80 0.00 3.35
assign ((segid A and resid 67 and name HN )) ((segid A and resid 67 and name HB* )) 1.80 0.00 1.98
assign ((segid A and resid 67 and name HN )) ((segid A and resid 67 and name HG1 )) 1.80 0.00 3.03
assign ((segid A and resid 67 and name HN )) ((segid A and resid 67 and name HG2 )) 1.80 0.00 3.03
assign ((segid A and resid 67 and name HN )) ((segid A and resid 68 and name HN )) 1.80 0.00 2.05
assign ((segid A and resid 68 and name HA )) ((segid A and resid 68 and name HG1* )) 1.80 0.00 1.48
assign ((segid A and resid 68 and name HA )) ((segid A and resid 68 and name HG2* )) 1.80 0.00 1.50
assign ((segid A and resid 68 and name HA )) ((segid A and resid 69 and name HN )) 1.80 0.00 1.80
assign ((segid A and resid 68 and name HA )) ((segid A and resid 71 and name HB* )) 1.80 0.00 2.94
assign ((segid A and resid 68 and name HA )) ((segid A and resid 71 and name HN )) 1.80 0.00 2.71
assign ((segid A and resid 68 and name HA )) ((segid A and resid 72 and name HN )) 1.80 0.00 3.37
assign ((segid A and resid 68 and name HB )) ((segid A and resid 69 and name HN )) 1.80 0.00 1.84
assign ((segid A and resid 68 and name HG1* )) ((segid A and resid 69 and name HN )) 1.80 0.00 1.98
assign ((segid A and resid 68 and name HG2* )) ((segid A and resid 69 and name HN )) 1.80 0.00 2.45
assign ((segid A and resid 68 and name HN )) ((segid A and resid 68 and name HB )) 1.80 0.00 1.89
assign ((segid A and resid 68 and name HN )) ((segid A and resid 68 and name HG1* )) 1.80 0.00 2.50
assign ((segid A and resid 68 and name HN )) ((segid A and resid 68 and name HG2* )) 1.80 0.00 1.41
assign ((segid A and resid 68 and name HN )) ((segid A and resid 69 and name HN )) 1.80 0.00 1.81
assign ((segid A and resid 69 and name HA )) ((segid A and resid 70 and name HN )) 1.80 0.00 2.00
assign ((segid A and resid 69 and name HA )) ((segid A and resid 72 and name HB* )) 1.80 0.00 2.40
assign ((segid A and resid 69 and name HA )) ((segid A and resid 72 and name HN )) 1.80 0.00 2.91
assign ((segid A and resid 69 and name HB1 )) ((segid A and resid 70 and name HN )) 1.80 0.00 2.50
assign ((segid A and resid 69 and name HB2 )) ((segid A and resid 70 and name HN )) 1.80 0.00 2.15
assign ((segid A and resid 69 and name HN )) ((segid A and resid 69 and name HB* )) 1.80 0.00 1.33
assign ((segid A and resid 69 and name HN )) ((segid A and resid 70 and name HN )) 1.80 0.00 1.64
assign ((segid A and resid 70 and name HA )) ((segid A and resid 71 and name HN )) 1.80 0.00 2.00
assign ((segid A and resid 70 and name HA )) ((segid A and resid 73 and name HN )) 1.80 0.00 2.60
assign ((segid A and resid 70 and name HB* )) ((segid A and resid 71 and name HN )) 1.80 0.00 1.48
assign ((segid A and resid 70 and name HB* )) ((segid A and resid 73 and name HN )) 1.80 0.00 3.27
assign ((segid A and resid 70 and name HN )) ((segid A and resid 70 and name HB* )) 1.80 0.00 1.50
assign ((segid A and resid 70 and name HN )) ((segid A and resid 71 and name HN )) 1.80 0.00 1.46
assign ((segid A and resid 71 and name HA )) ((segid A and resid 71 and name HD* )) 1.80 0.00 1.70
assign ((segid A and resid 71 and name HA )) ((segid A and resid 72 and name HN )) 1.80 0.00 1.80
assign ((segid A and resid 71 and name HA )) ((segid A and resid 75 and name HB* )) 1.80 0.00 3.19
assign ((segid A and resid 71 and name HB1 )) ((segid A and resid 72 and name HN )) 1.80 0.00 2.57
assign ((segid A and resid 71 and name HB2 )) ((segid A and resid 72 and name HN )) 1.80 0.00 2.57
assign ((segid A and resid 71 and name HD* )) ((segid A and resid 72 and name HN )) 1.80 0.00 3.05
assign ((segid A and resid 71 and name HD* )) ((segid A and resid 75 and name HB* )) 1.80 0.00 3.08
assign ((segid A and resid 71 and name HN )) ((segid A and resid 71 and name HD* )) 1.80 0.00 1.96
assign ((segid A and resid 71 and name HN )) ((segid A and resid 72 and name HN )) 1.80 0.00 1.67
assign ((segid A and resid 72 and name HA )) ((segid A and resid 72 and name HG1 )) 1.80 0.00 2.68
assign ((segid A and resid 72 and name HA )) ((segid A and resid 72 and name HG2 )) 1.80 0.00 2.68
assign ((segid A and resid 72 and name HA )) ((segid A and resid 73 and name HN )) 1.80 0.00 2.06
assign ((segid A and resid 72 and name HB* )) ((segid A and resid 72 and name HD* )) 1.80 0.00 1.47
assign ((segid A and resid 72 and name HB* )) ((segid A and resid 72 and name HE* )) 1.80 0.00 3.27
assign ((segid A and resid 72 and name HB* )) ((segid A and resid 73 and name HN )) 1.80 0.00 2.59
assign ((segid A and resid 72 and name HD* )) ((segid A and resid 73 and name HN )) 1.80 0.00 3.26
assign ((segid A and resid 72 and name HG1 )) ((segid A and resid 72 and name HE* )) 1.80 0.00 1.97
assign ((segid A and resid 72 and name HG1 )) ((segid A and resid 73 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 72 and name HG2 )) ((segid A and resid 72 and name HE* )) 1.80 0.00 1.97
assign ((segid A and resid 72 and name HG2 )) ((segid A and resid 73 and name HN )) 1.80 0.00 2.43
assign ((segid A and resid 72 and name HN )) ((segid A and resid 72 and name HB* )) 1.80 0.00 1.58
assign ((segid A and resid 72 and name HN )) ((segid A and resid 72 and name HD* )) 1.80 0.00 3.26
assign ((segid A and resid 72 and name HN )) ((segid A and resid 73 and name HN )) 1.80 0.00 1.35
assign ((segid A and resid 73 and name HA* )) ((segid A and resid 74 and name HN )) 1.80 0.00 1.50
assign ((segid A and resid 73 and name HN )) ((segid A and resid 74 and name HN )) 1.80 0.00 1.80
assign ((segid A and resid 74 and name HA )) ((segid A and resid 75 and name HN )) 1.80 0.00 1.80
assign ((segid A and resid 74 and name HB1 )) ((segid A and resid 75 and name HN )) 1.80 0.00 2.68
assign ((segid A and resid 74 and name HB2 )) ((segid A and resid 75 and name HN )) 1.80 0.00 2.68
assign ((segid A and resid 75 and name HA )) ((segid A and resid 75 and name HD1* )) 1.80 0.00 1.93
assign ((segid A and resid 75 and name HA )) ((segid A and resid 75 and name HD2* )) 1.80 0.00 2.10
assign ((segid A and resid 75 and name HB* )) ((segid A and resid 75 and name HD1* )) 1.80 0.00 1.50
assign ((segid A and resid 75 and name HB* )) ((segid A and resid 75 and name HD2* )) 1.80 0.00 1.50
assign ((segid A and resid 75 and name HD2* )) ((segid A and resid 76 and name HN )) 1.80 0.00 3.80
assign ((segid A and resid 75 and name HN )) ((segid A and resid 75 and name HB* )) 1.80 0.00 1.50
assign ((segid A and resid 75 and name HN )) ((segid A and resid 75 and name HD1* )) 1.80 0.00 2.65
assign ((segid A and resid 76 and name HA )) ((segid A and resid 77 and name HN )) 1.80 0.00 1.80
assign ((segid A and resid 76 and name HB* )) ((segid A and resid 77 and name HN )) 1.80 0.00 2.50
assign ((segid A and resid 76 and name HG* )) ((segid A and resid 77 and name HN )) 1.80 0.00 3.00
assign ((segid A and resid 76 and name HN )) ((segid A and resid 76 and name HB* )) 1.80 0.00 2.00
assign ((segid A and resid 76 and name HN )) ((segid A and resid 76 and name HG* )) 1.80 0.00 2.80
assign ((segid A and resid 77 and name HA )) ((segid A and resid 78 and name HN )) 1.80 0.00 1.74
assign ((segid A and resid 77 and name HB* )) ((segid A and resid 77 and name HD* )) 1.80 0.00 1.80
assign ((segid A and resid 77 and name HB* )) ((segid A and resid 78 and name HN )) 1.80 0.00 2.48
assign ((segid A and resid 77 and name HN )) ((segid A and resid 77 and name HB* )) 1.80 0.00 1.43
assign ((segid A and resid 78 and name HA )) ((segid A and resid 79 and name HN )) 1.80 0.00 1.80
assign ((segid A and resid 78 and name HB* )) ((segid A and resid 79 and name HN )) 1.80 0.00 2.45
assign ((segid A and resid 78 and name HN )) ((segid A and resid 78 and name HB* )) 1.80 0.00 1.50
assign ((segid A and resid 79 and name HA )) ((segid A and resid 80 and name HN )) 1.80 0.00 1.80
assign ((segid A and resid 79 and name HB* )) ((segid A and resid 80 and name HN )) 1.80 0.00 2.46
assign ((segid A and resid 79 and name HN )) ((segid A and resid 79 and name HB* )) 1.80 0.00 2.04
assign ((segid A and resid 80 and name HA )) ((segid A and resid 81 and name HN )) 1.80 0.00 1.80
assign ((segid A and resid 80 and name HN )) ((segid A and resid 80 and name HB* )) 1.80 0.00 2.07
assign ((segid A and resid 81 and name HA )) ((segid A and resid 82 and name HN )) 1.80 0.00 1.80
assign ((segid A and resid 81 and name HB* )) ((segid A and resid 82 and name HN )) 1.80 0.00 2.30
assign ((segid A and resid 81 and name HN )) ((segid A and resid 81 and name HB* )) 1.80 0.00 1.49
assign ((segid A and resid 82 and name HN )) ((segid A and resid 82 and name HB* )) 1.80 0.00 1.60
assign ((segid B and resid 1 and name HA )) ((segid B and resid 2 and name HN )) 1.80 0.00 1.80
assign ((segid B and resid 1 and name HB* )) ((segid B and resid 2 and name HN )) 1.80 0.00 2.10
assign ((segid B and resid 1 and name HG* )) ((segid B and resid 2 and name HN )) 1.80 0.00 2.93
assign ((segid B and resid 2 and name HA )) ((segid B and resid 2 and name HG* )) 1.80 0.00 1.96
assign ((segid B and resid 2 and name HA )) ((segid B and resid 3 and name HN )) 1.80 0.00 1.57
assign ((segid B and resid 2 and name HB* )) ((segid B and resid 3 and name HN )) 1.80 0.00 2.20
assign ((segid B and resid 2 and name HB1 )) ((segid B and resid 2 and name HD* )) 1.80 0.00 1.50
assign ((segid B and resid 2 and name HB2 )) ((segid B and resid 2 and name HD* )) 1.80 0.00 1.50
assign ((segid B and resid 2 and name HG* )) ((segid B and resid 3 and name HN )) 1.80 0.00 2.91
assign ((segid B and resid 2 and name HN )) ((segid B and resid 2 and name HB* )) 1.80 0.00 1.58
assign ((segid B and resid 2 and name HN )) ((segid B and resid 2 and name HG* )) 1.80 0.00 2.50
assign ((segid B and resid 3 and name HA )) ((segid B and resid 4 and name HN )) 1.80 0.00 1.80
assign ((segid B and resid 3 and name HB* )) ((segid B and resid 3 and name HD* )) 1.80 0.00 1.33
assign ((segid B and resid 3 and name HB* )) ((segid B and resid 4 and name HN )) 1.80 0.00 2.10
assign ((segid B and resid 3 and name HG* )) ((segid B and resid 4 and name HN )) 1.80 0.00 2.80
assign ((segid B and resid 3 and name HN )) ((segid B and resid 3 and name HB* )) 1.80 0.00 1.50
assign ((segid B and resid 3 and name HN )) ((segid B and resid 3 and name HG* )) 1.80 0.00 3.00
assign ((segid B and resid 4 and name HA )) ((segid B and resid 5 and name HN )) 1.80 0.00 1.80
assign ((segid B and resid 4 and name HB* )) ((segid B and resid 5 and name HN )) 1.80 0.00 2.20
assign ((segid B and resid 4 and name HG* )) ((segid B and resid 5 and name HN )) 1.80 0.00 2.74
assign ((segid B and resid 4 and name HN )) ((segid B and resid 4 and name HB* )) 1.80 0.00 1.38
assign ((segid B and resid 4 and name HN )) ((segid B and resid 4 and name HG* )) 1.80 0.00 2.30
assign ((segid B and resid 5 and name HA )) ((segid B and resid 6 and name HN )) 1.80 0.00 1.80
assign ((segid B and resid 5 and name HB* )) ((segid B and resid 6 and name HN )) 1.80 0.00 1.80
assign ((segid B and resid 5 and name HN )) ((segid B and resid 5 and name HB* )) 1.80 0.00 1.36
assign ((segid B and resid 6 and name HA )) ((segid B and resid 7 and name HN )) 1.80 0.00 1.80
assign ((segid B and resid 6 and name HB* )) ((segid B and resid 7 and name HN )) 1.80 0.00 2.10
assign ((segid B and resid 6 and name HG1 )) ((segid B and resid 7 and name HN )) 1.80 0.00 3.80
assign ((segid B and resid 6 and name HG2 )) ((segid B and resid 7 and name HN )) 1.80 0.00 3.80
assign ((segid B and resid 6 and name HN )) ((segid B and resid 6 and name HB* )) 1.80 0.00 1.50
assign ((segid B and resid 6 and name HN )) ((segid B and resid 6 and name HG* )) 1.80 0.00 2.50
assign ((segid B and resid 7 and name HA )) ((segid B and resid 7 and name HD* )) 1.80 0.00 2.36
assign ((segid B and resid 7 and name HA )) ((segid B and resid 8 and name HN )) 1.80 0.00 2.00
assign ((segid B and resid 7 and name HA )) ((segid B and resid 35 and name HD2* )) 1.80 0.00 2.67
assign ((segid B and resid 7 and name HB* )) ((segid B and resid 8 and name HN )) 1.80 0.00 1.80
assign ((segid B and resid 7 and name HB* )) ((segid B and resid 35 and name HD2* )) 1.80 0.00 2.39
assign ((segid B and resid 7 and name HB* )) ((segid B and resid 35 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HD* )) ((segid B and resid 7 and name HZ )) 1.80 0.00 2.40
assign ((segid B and resid 7 and name HD* )) ((segid B and resid 8 and name HN )) 1.80 0.00 3.00
assign ((segid B and resid 7 and name HE* )) ((segid B and resid 7 and name HZ )) 1.80 0.00 1.50
assign ((segid B and resid 7 and name HN )) ((segid B and resid 7 and name HB* )) 1.80 0.00 1.45
assign ((segid B and resid 7 and name HN )) ((segid B and resid 7 and name HD* )) 1.80 0.00 2.30
assign ((segid B and resid 8 and name HA )) ((segid B and resid 8 and name HG2* )) 1.80 0.00 1.50
assign ((segid B and resid 8 and name HA )) ((segid B and resid 9 and name HN )) 1.80 0.00 1.50
assign ((segid B and resid 8 and name HB )) ((segid B and resid 9 and name HN )) 1.80 0.00 2.50
assign ((segid B and resid 8 and name HG2* )) ((segid B and resid 35 and name HA )) 1.80 0.00 3.00
assign ((segid B and resid 8 and name HG2* )) ((segid B and resid 35 and name HN )) 1.80 0.00 3.00
assign ((segid B and resid 8 and name HN )) ((segid B and resid 8 and name HB )) 1.80 0.00 2.43
assign ((segid B and resid 8 and name HN )) ((segid B and resid 8 and name HG2* )) 1.80 0.00 2.30
assign ((segid B and resid 8 and name HN )) ((segid B and resid 9 and name HN )) 1.80 0.00 3.29
assign ((segid B and resid 8 and name HN )) ((segid B and resid 35 and name HA )) 1.80 0.00 2.48
assign ((segid B and resid 8 and name HN )) ((segid B and resid 35 and name HD2* )) 1.80 0.00 3.16
assign ((segid B and resid 8 and name HN )) ((segid B and resid 35 and name HN )) 1.80 0.00 2.30
assign ((segid B and resid 9 and name HA )) ((segid B and resid 9 and name HD* )) 1.80 0.00 3.14
assign ((segid B and resid 9 and name HA )) ((segid B and resid 10 and name HN )) 1.80 0.00 1.81
assign ((segid B and resid 9 and name HA )) ((segid B and resid 32 and name HG1* )) 1.80 0.00 2.63
assign ((segid B and resid 9 and name HA )) ((segid B and resid 34 and name HA )) 1.80 0.00 2.67
assign ((segid B and resid 9 and name HA )) ((segid B and resid 34 and name HD* )) 1.80 0.00 2.96
assign ((segid B and resid 9 and name HA )) ((segid B and resid 35 and name HN )) 1.80 0.00 2.62
assign ((segid B and resid 9 and name HB* )) ((segid B and resid 34 and name HA )) 1.80 0.00 3.17
assign ((segid B and resid 9 and name HB1 )) ((segid B and resid 10 and name HN )) 1.80 0.00 3.08
assign ((segid B and resid 9 and name HB1 )) ((segid B and resid 32 and name HG1* )) 1.80 0.00 2.48
assign ((segid B and resid 9 and name HB2 )) ((segid B and resid 10 and name HN )) 1.80 0.00 3.08
assign ((segid B and resid 9 and name HB2 )) ((segid B and resid 32 and name HG1* )) 1.80 0.00 2.48
assign ((segid B and resid 9 and name HD* )) ((segid B and resid 10 and name HN )) 1.80 0.00 3.23
assign ((segid B and resid 9 and name HD* )) ((segid B and resid 32 and name HG1* )) 1.80 0.00 2.52
assign ((segid B and resid 9 and name HD* )) ((segid B and resid 34 and name HE* )) 1.80 0.00 2.53
assign ((segid B and resid 9 and name HN )) ((segid B and resid 9 and name HD* )) 1.80 0.00 2.30
assign ((segid B and resid 9 and name HN )) ((segid B and resid 10 and name HN )) 1.80 0.00 3.21
assign ((segid B and resid 10 and name HA )) ((segid B and resid 10 and name HG* )) 1.80 0.00 1.73
assign ((segid B and resid 10 and name HA )) ((segid B and resid 11 and name HN )) 1.80 0.00 1.68
assign ((segid B and resid 10 and name HA )) ((segid B and resid 32 and name HG1* )) 1.80 0.00 3.07
assign ((segid B and resid 10 and name HB* )) ((segid B and resid 33 and name HN )) 1.80 0.00 3.21
assign ((segid B and resid 10 and name HB1 )) ((segid B and resid 11 and name HN )) 1.80 0.00 3.03
assign ((segid B and resid 10 and name HB2 )) ((segid B and resid 11 and name HN )) 1.80 0.00 3.03
assign ((segid B and resid 10 and name HG* )) ((segid B and resid 11 and name HN )) 1.80 0.00 2.80
assign ((segid B and resid 10 and name HN )) ((segid B and resid 10 and name HG* )) 1.80 0.00 2.62
assign ((segid B and resid 10 and name HN )) ((segid B and resid 11 and name HN )) 1.80 0.00 3.18
assign ((segid B and resid 10 and name HN )) ((segid B and resid 32 and name HG1* )) 1.80 0.00 2.08
assign ((segid B and resid 10 and name HN )) ((segid B and resid 33 and name HB* )) 1.80 0.00 3.09
assign ((segid B and resid 10 and name HN )) ((segid B and resid 33 and name HN )) 1.80 0.00 2.02
assign ((segid B and resid 10 and name HN )) ((segid B and resid 34 and name HA )) 1.80 0.00 2.74
assign ((segid B and resid 11 and name HA )) ((segid B and resid 11 and name HD1* )) 1.80 0.00 3.00
assign ((segid B and resid 11 and name HA )) ((segid B and resid 11 and name HG2* )) 1.80 0.00 1.94
assign ((segid B and resid 11 and name HA )) ((segid B and resid 12 and name HN )) 1.80 0.00 2.15
assign ((segid B and resid 11 and name HA )) ((segid B and resid 32 and name HA )) 1.80 0.00 2.72
assign ((segid B and resid 11 and name HA )) ((segid B and resid 32 and name HG1* )) 1.80 0.00 2.41
assign ((segid B and resid 11 and name HA )) ((segid B and resid 32 and name HG2* )) 1.80 0.00 2.16
assign ((segid B and resid 11 and name HA )) ((segid B and resid 33 and name HN )) 1.80 0.00 2.72
assign ((segid B and resid 11 and name HB )) ((segid B and resid 11 and name HD1* )) 1.80 0.00 1.94
assign ((segid B and resid 11 and name HD1* )) ((segid B and resid 32 and name HG1* )) 1.80 0.00 3.21
assign ((segid B and resid 11 and name HD1* )) ((segid B and resid 32 and name HG2* )) 1.80 0.00 2.77
assign ((segid B and resid 11 and name HG1* )) ((segid B and resid 12 and name HN )) 1.80 0.00 3.16
assign ((segid B and resid 11 and name HG1* )) ((segid B and resid 32 and name HG2* )) 1.80 0.00 3.21
assign ((segid B and resid 11 and name HG2* )) ((segid B and resid 11 and name HD1* )) 1.80 0.00 1.47
assign ((segid B and resid 11 and name HG2* )) ((segid B and resid 11 and name HG11 )) 1.80 0.00 2.85
assign ((segid B and resid 11 and name HG2* )) ((segid B and resid 11 and name HG12 )) 1.80 0.00 2.85
assign ((segid B and resid 11 and name HG2* )) ((segid B and resid 12 and name HN )) 1.80 0.00 2.16
assign ((segid B and resid 11 and name HG2* )) ((segid B and resid 13 and name HB* )) 1.80 0.00 3.80
assign ((segid B and resid 11 and name HG2* )) ((segid B and resid 13 and name HN )) 1.80 0.00 1.91
assign ((segid B and resid 11 and name HG2* )) ((segid B and resid 30 and name HA )) 1.80 0.00 3.16
assign ((segid B and resid 11 and name HG2* )) ((segid B and resid 30 and name HB1 )) 1.80 0.00 2.18
assign ((segid B and resid 11 and name HG2* )) ((segid B and resid 30 and name HB2 )) 1.80 0.00 2.18
assign ((segid B and resid 11 and name HG2* )) ((segid B and resid 31 and name HN )) 1.80 0.00 2.59
assign ((segid B and resid 11 and name HG2* )) ((segid B and resid 32 and name HA )) 1.80 0.00 2.99
assign ((segid B and resid 11 and name HG2* )) ((segid B and resid 32 and name HG1* )) 1.80 0.00 3.20
assign ((segid B and resid 11 and name HG2* )) ((segid B and resid 32 and name HG2* )) 1.80 0.00 1.85
assign ((segid B and resid 11 and name HN )) ((segid B and resid 11 and name HB )) 1.80 0.00 2.08
assign ((segid B and resid 11 and name HN )) ((segid B and resid 11 and name HD1* )) 1.80 0.00 2.66
assign ((segid B and resid 11 and name HN )) ((segid B and resid 11 and name HG11 )) 1.80 0.00 2.89
assign ((segid B and resid 11 and name HN )) ((segid B and resid 11 and name HG12 )) 1.80 0.00 2.89
assign ((segid B and resid 11 and name HN )) ((segid B and resid 11 and name HG2* )) 1.80 0.00 2.49
assign ((segid B and resid 11 and name HN )) ((segid B and resid 12 and name HN )) 1.80 0.00 3.36
assign ((segid B and resid 11 and name HN )) ((segid B and resid 32 and name HG1* )) 1.80 0.00 3.27
assign ((segid B and resid 11 and name HN )) ((segid B and resid 32 and name HG2* )) 1.80 0.00 3.45
assign ((segid B and resid 12 and name HA )) ((segid B and resid 12 and name HG1 )) 1.80 0.00 2.62
assign ((segid B and resid 12 and name HA )) ((segid B and resid 12 and name HG2 )) 1.80 0.00 2.62
assign ((segid B and resid 12 and name HA )) ((segid B and resid 13 and name HN )) 1.80 0.00 1.80
assign ((segid B and resid 12 and name HB* )) ((segid B and resid 13 and name HN )) 1.80 0.00 2.36
assign ((segid B and resid 12 and name HB* )) ((segid B and resid 39 and name HB* )) 1.80 0.00 2.52
assign ((segid B and resid 12 and name HG* )) ((segid B and resid 33 and name HB* )) 1.80 0.00 3.23
assign ((segid B and resid 12 and name HG1 )) ((segid B and resid 13 and name HN )) 1.80 0.00 3.29
assign ((segid B and resid 12 and name HG1 )) ((segid B and resid 39 and name HB* )) 1.80 0.00 1.94
assign ((segid B and resid 12 and name HG2 )) ((segid B and resid 13 and name HN )) 1.80 0.00 3.29
assign ((segid B and resid 12 and name HG2 )) ((segid B and resid 32 and name HA )) 1.80 0.00 3.39
assign ((segid B and resid 12 and name HG2 )) ((segid B and resid 39 and name HB* )) 1.80 0.00 2.70
assign ((segid B and resid 12 and name HN )) ((segid B and resid 12 and name HG1 )) 1.80 0.00 2.42
assign ((segid B and resid 12 and name HN )) ((segid B and resid 12 and name HG2 )) 1.80 0.00 2.80
assign ((segid B and resid 12 and name HN )) ((segid B and resid 13 and name HN )) 1.80 0.00 1.91
assign ((segid B and resid 12 and name HN )) ((segid B and resid 32 and name HA )) 1.80 0.00 2.69
assign ((segid B and resid 12 and name HN )) ((segid B and resid 32 and name HG1* )) 1.80 0.00 3.59
assign ((segid B and resid 12 and name HN )) ((segid B and resid 32 and name HG2* )) 1.80 0.00 3.30
assign ((segid B and resid 12 and name HN )) ((segid B and resid 33 and name HN )) 1.80 0.00 3.27
assign ((segid B and resid 12 and name HN )) ((segid B and resid 39 and name HB* )) 1.80 0.00 3.16
assign ((segid B and resid 13 and name HA )) ((segid B and resid 13 and name HG* )) 1.80 0.00 1.90
assign ((segid B and resid 13 and name HA )) ((segid B and resid 14 and name HN )) 1.80 0.00 1.65
assign ((segid B and resid 13 and name HB* )) ((segid B and resid 31 and name HB1 )) 1.80 0.00 4.25
assign ((segid B and resid 13 and name HB* )) ((segid B and resid 31 and name HB2 )) 1.80 0.00 3.20
assign ((segid B and resid 13 and name HB* )) ((segid B and resid 31 and name HD* )) 1.80 0.00 3.80
assign ((segid B and resid 13 and name HB* )) ((segid B and resid 31 and name HN )) 1.80 0.00 3.19
assign ((segid B and resid 13 and name HB* )) ((segid B and resid 39 and name HB* )) 1.80 0.00 4.25
assign ((segid B and resid 13 and name HB1 )) ((segid B and resid 14 and name HN )) 1.80 0.00 2.94
assign ((segid B and resid 13 and name HB2 )) ((segid B and resid 14 and name HN )) 1.80 0.00 2.94
assign ((segid B and resid 13 and name HG* )) ((segid B and resid 14 and name HN )) 1.80 0.00 2.57
assign ((segid B and resid 13 and name HG* )) ((segid B and resid 15 and name HD2* )) 1.80 0.00 2.90
assign ((segid B and resid 13 and name HG* )) ((segid B and resid 31 and name HD* )) 1.80 0.00 3.80
assign ((segid B and resid 13 and name HN )) ((segid B and resid 13 and name HB1 )) 1.80 0.00 2.49
assign ((segid B and resid 13 and name HN )) ((segid B and resid 13 and name HB2 )) 1.80 0.00 2.49
assign ((segid B and resid 13 and name HN )) ((segid B and resid 13 and name HG* )) 1.80 0.00 3.03
assign ((segid B and resid 13 and name HN )) ((segid B and resid 14 and name HN )) 1.80 0.00 3.21
assign ((segid B and resid 13 and name HN )) ((segid B and resid 30 and name HB* )) 1.80 0.00 3.14
assign ((segid B and resid 13 and name HN )) ((segid B and resid 31 and name HB* )) 1.80 0.00 3.01
assign ((segid B and resid 13 and name HN )) ((segid B and resid 31 and name HN )) 1.80 0.00 2.80
assign ((segid B and resid 13 and name HN )) ((segid B and resid 39 and name HB* )) 1.80 0.00 3.20
assign ((segid B and resid 14 and name HA )) ((segid B and resid 15 and name HN )) 1.80 0.00 2.00
assign ((segid B and resid 14 and name HA )) ((segid B and resid 30 and name HA )) 1.80 0.00 2.82
assign ((segid B and resid 14 and name HA )) ((segid B and resid 30 and name HB* )) 1.80 0.00 2.70
assign ((segid B and resid 14 and name HN )) ((segid B and resid 14 and name HB1 )) 1.80 0.00 2.29
assign ((segid B and resid 14 and name HN )) ((segid B and resid 14 and name HB2 )) 1.80 0.00 2.29
assign ((segid B and resid 14 and name HN )) ((segid B and resid 15 and name HN )) 1.80 0.00 3.68
assign ((segid B and resid 15 and name HA )) ((segid B and resid 15 and name HD2* )) 1.80 0.00 1.33
assign ((segid B and resid 15 and name HA )) ((segid B and resid 15 and name HG )) 1.80 0.00 1.91
assign ((segid B and resid 15 and name HA )) ((segid B and resid 16 and name HN )) 1.80 0.00 2.00
assign ((segid B and resid 15 and name HB* )) ((segid B and resid 15 and name HD2* )) 1.80 0.00 1.50
assign ((segid B and resid 15 and name HB* )) ((segid B and resid 29 and name HB )) 1.80 0.00 3.03
assign ((segid B and resid 15 and name HB* )) ((segid B and resid 30 and name HA )) 1.80 0.00 3.27
assign ((segid B and resid 15 and name HB1 )) ((segid B and resid 15 and name HD1* )) 1.80 0.00 1.47
assign ((segid B and resid 15 and name HB1 )) ((segid B and resid 16 and name HN )) 1.80 0.00 2.03
assign ((segid B and resid 15 and name HB2 )) ((segid B and resid 15 and name HD1* )) 1.80 0.00 1.47
assign ((segid B and resid 15 and name HB2 )) ((segid B and resid 16 and name HN )) 1.80 0.00 2.03
assign ((segid B and resid 15 and name HD1* )) ((segid B and resid 29 and name HB )) 1.80 0.00 3.80
assign ((segid B and resid 15 and name HD1* )) ((segid B and resid 29 and name HG2* )) 1.80 0.00 3.80
assign ((segid B and resid 15 and name HD1* )) ((segid B and resid 30 and name HA )) 1.80 0.00 2.80
assign ((segid B and resid 15 and name HD1* )) ((segid B and resid 30 and name HB* )) 1.80 0.00 3.30
assign ((segid B and resid 15 and name HD1* )) ((segid B and resid 31 and name HA )) 1.80 0.00 3.27
assign ((segid B and resid 15 and name HD1* )) ((segid B and resid 31 and name HG* )) 1.80 0.00 2.50
assign ((segid B and resid 15 and name HD1* )) ((segid B and resid 31 and name HN )) 1.80 0.00 3.00
assign ((segid B and resid 15 and name HD1* )) ((segid B and resid 41 and name HA )) 1.80 0.00 3.00
assign ((segid B and resid 15 and name HD1* )) ((segid B and resid 41 and name HD* )) 1.80 0.00 2.00
assign ((segid B and resid 15 and name HD1* )) ((segid B and resid 64 and name HE* )) 1.80 0.00 3.35
assign ((segid B and resid 15 and name HD1* )) ((segid B and resid 64 and name HZ )) 1.80 0.00 3.00
assign ((segid B and resid 15 and name HD2* )) ((segid B and resid 30 and name HA )) 1.80 0.00 3.10
assign ((segid B and resid 15 and name HD2* )) ((segid B and resid 31 and name HD* )) 1.80 0.00 2.24
assign ((segid B and resid 15 and name HD2* )) ((segid B and resid 31 and name HG* )) 1.80 0.00 2.01
assign ((segid B and resid 15 and name HD2* )) ((segid B and resid 41 and name HD* )) 1.80 0.00 3.00
assign ((segid B and resid 15 and name HD2* )) ((segid B and resid 64 and name HD* )) 1.80 0.00 3.80
assign ((segid B and resid 15 and name HD2* )) ((segid B and resid 64 and name HE* )) 1.80 0.00 3.00
assign ((segid B and resid 15 and name HD2* )) ((segid B and resid 64 and name HZ )) 1.80 0.00 3.00
assign ((segid B and resid 15 and name HG )) ((segid B and resid 30 and name HA )) 1.80 0.00 2.79
assign ((segid B and resid 15 and name HN )) ((segid B and resid 15 and name HD2* )) 1.80 0.00 2.82
assign ((segid B and resid 15 and name HN )) ((segid B and resid 15 and name HG )) 1.80 0.00 2.42
assign ((segid B and resid 15 and name HN )) ((segid B and resid 16 and name HN )) 1.80 0.00 1.95
assign ((segid B and resid 15 and name HN )) ((segid B and resid 29 and name HG2* )) 1.80 0.00 3.22
assign ((segid B and resid 15 and name HN )) ((segid B and resid 29 and name HN )) 1.80 0.00 3.53
assign ((segid B and resid 15 and name HN )) ((segid B and resid 30 and name HA )) 1.80 0.00 2.39
assign ((segid B and resid 15 and name HN )) ((segid B and resid 31 and name HN )) 1.80 0.00 3.11
assign ((segid B and resid 16 and name HA )) ((segid B and resid 17 and name HN )) 1.80 0.00 1.60
assign ((segid B and resid 16 and name HB* )) ((segid B and resid 17 and name HN )) 1.80 0.00 1.99
assign ((segid B and resid 16 and name HB* )) ((segid B and resid 29 and name HD1* )) 1.80 0.00 3.80
assign ((segid B and resid 16 and name HD1* )) ((segid B and resid 17 and name HN )) 1.80 0.00 3.00
assign ((segid B and resid 16 and name HD1* )) ((segid B and resid 29 and name HB )) 1.80 0.00 3.24
assign ((segid B and resid 16 and name HD1* )) ((segid B and resid 29 and name HD1* )) 1.80 0.00 2.50
assign ((segid B and resid 16 and name HD1* )) ((segid B and resid 29 and name HN )) 1.80 0.00 3.80
assign ((segid B and resid 16 and name HD2* )) ((segid B and resid 29 and name HB )) 1.80 0.00 2.69
assign ((segid B and resid 16 and name HD2* )) ((segid B and resid 29 and name HD1* )) 1.80 0.00 2.50
assign ((segid B and resid 16 and name HD2* )) ((segid B and resid 29 and name HG2* )) 1.80 0.00 3.80
assign ((segid B and resid 16 and name HD2* )) ((segid B and resid 29 and name HN )) 1.80 0.00 4.25
assign ((segid B and resid 16 and name HN )) ((segid B and resid 17 and name HN )) 1.80 0.00 3.00
assign ((segid B and resid 16 and name HN )) ((segid B and resid 29 and name HB )) 1.80 0.00 3.00
assign ((segid B and resid 16 and name HN )) ((segid B and resid 29 and name HD1* )) 1.80 0.00 3.19
assign ((segid B and resid 16 and name HN )) ((segid B and resid 29 and name HN )) 1.80 0.00 2.80
assign ((segid B and resid 16 and name HN )) ((segid B and resid 30 and name HA )) 1.80 0.00 2.77
assign ((segid B and resid 17 and name HA )) ((segid B and resid 17 and name HG2* )) 1.80 0.00 1.50
assign ((segid B and resid 17 and name HA )) ((segid B and resid 18 and name HN )) 1.80 0.00 2.00
assign ((segid B and resid 17 and name HA )) ((segid B and resid 28 and name HA )) 1.80 0.00 2.72
assign ((segid B and resid 17 and name HG2* )) ((segid B and resid 18 and name HN )) 1.80 0.00 2.22
assign ((segid B and resid 17 and name HG2* )) ((segid B and resid 26 and name HB )) 1.80 0.00 3.60
assign ((segid B and resid 17 and name HG2* )) ((segid B and resid 27 and name HN )) 1.80 0.00 3.11
assign ((segid B and resid 17 and name HG2* )) ((segid B and resid 28 and name HA )) 1.80 0.00 2.49
assign ((segid B and resid 17 and name HG2* )) ((segid B and resid 29 and name HN )) 1.80 0.00 3.38
assign ((segid B and resid 17 and name HN )) ((segid B and resid 17 and name HB )) 1.80 0.00 2.07
assign ((segid B and resid 17 and name HN )) ((segid B and resid 17 and name HG2* )) 1.80 0.00 2.57
assign ((segid B and resid 17 and name HN )) ((segid B and resid 18 and name HN )) 1.80 0.00 3.44
assign ((segid B and resid 18 and name HA )) ((segid B and resid 18 and name HD1* )) 1.80 0.00 2.62
assign ((segid B and resid 18 and name HA )) ((segid B and resid 18 and name HD2* )) 1.80 0.00 1.51
assign ((segid B and resid 18 and name HA )) ((segid B and resid 18 and name HG )) 1.80 0.00 2.27
assign ((segid B and resid 18 and name HA )) ((segid B and resid 19 and name HN )) 1.80 0.00 2.00
assign ((segid B and resid 18 and name HB* )) ((segid B and resid 19 and name HN )) 1.80 0.00 2.71
assign ((segid B and resid 18 and name HB* )) ((segid B and resid 27 and name HN )) 1.80 0.00 3.23
assign ((segid B and resid 18 and name HB1 )) ((segid B and resid 18 and name HD1* )) 1.80 0.00 1.78
assign ((segid B and resid 18 and name HB1 )) ((segid B and resid 18 and name HD2* )) 1.80 0.00 1.84
assign ((segid B and resid 18 and name HB2 )) ((segid B and resid 18 and name HD1* )) 1.80 0.00 1.78
assign ((segid B and resid 18 and name HB2 )) ((segid B and resid 18 and name HD2* )) 1.80 0.00 1.84
assign ((segid B and resid 18 and name HD1* )) ((segid B and resid 27 and name HB1 )) 1.80 0.00 3.00
assign ((segid B and resid 18 and name HD1* )) ((segid B and resid 27 and name HB2 )) 1.80 0.00 3.00
assign ((segid B and resid 18 and name HD1* )) ((segid B and resid 27 and name HE* )) 1.80 0.00 3.59
assign ((segid B and resid 18 and name HD1* )) ((segid B and resid 27 and name HG* )) 1.80 0.00 2.77
assign ((segid B and resid 18 and name HD1* )) ((segid B and resid 29 and name HD1* )) 1.80 0.00 2.31
assign ((segid B and resid 18 and name HD1* )) ((segid B and resid 43 and name HG2* )) 1.80 0.00 2.15
assign ((segid B and resid 18 and name HD2* )) ((segid B and resid 29 and name HD1* )) 1.80 0.00 1.98
assign ((segid B and resid 18 and name HD2* )) ((segid B and resid 29 and name HG1* )) 1.80 0.00 3.38
assign ((segid B and resid 18 and name HD2* )) ((segid B and resid 29 and name HG2* )) 1.80 0.00 3.52
assign ((segid B and resid 18 and name HG )) ((segid B and resid 27 and name HG* )) 1.80 0.00 3.21
assign ((segid B and resid 18 and name HG )) ((segid B and resid 29 and name HG1* )) 1.80 0.00 3.44
assign ((segid B and resid 18 and name HN )) ((segid B and resid 18 and name HD1* )) 1.80 0.00 2.89
assign ((segid B and resid 18 and name HN )) ((segid B and resid 18 and name HD2* )) 1.80 0.00 2.71
assign ((segid B and resid 18 and name HN )) ((segid B and resid 18 and name HG )) 1.80 0.00 2.69
assign ((segid B and resid 18 and name HN )) ((segid B and resid 19 and name HN )) 1.80 0.00 2.50
assign ((segid B and resid 18 and name HN )) ((segid B and resid 28 and name HA )) 1.80 0.00 3.37
assign ((segid B and resid 19 and name HA )) ((segid B and resid 20 and name HN )) 1.80 0.00 1.80
assign ((segid B and resid 19 and name HB* )) ((segid B and resid 20 and name HN )) 1.80 0.00 2.50
assign ((segid B and resid 19 and name HN )) ((segid B and resid 20 and name HN )) 1.80 0.00 3.12
assign ((segid B and resid 19 and name HN )) ((segid B and resid 27 and name HB* )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HN )) ((segid B and resid 27 and name HN )) 1.80 0.00 3.00
assign ((segid B and resid 20 and name HA )) ((segid B and resid 21 and name HN )) 1.80 0.00 1.68
assign ((segid B and resid 20 and name HA )) ((segid B and resid 26 and name HA )) 1.80 0.00 2.38
assign ((segid B and resid 20 and name HA )) ((segid B and resid 26 and name HG2* )) 1.80 0.00 1.99
assign ((segid B and resid 20 and name HA )) ((segid B and resid 27 and name HN )) 1.80 0.00 2.74
assign ((segid B and resid 20 and name HB1 )) ((segid B and resid 21 and name HN )) 1.80 0.00 2.95
assign ((segid B and resid 20 and name HB1 )) ((segid B and resid 26 and name HG2* )) 1.80 0.00 2.70
assign ((segid B and resid 20 and name HB2 )) ((segid B and resid 21 and name HN )) 1.80 0.00 2.95
assign ((segid B and resid 20 and name HB2 )) ((segid B and resid 26 and name HG2* )) 1.80 0.00 3.00
assign ((segid B and resid 20 and name HG* )) ((segid B and resid 21 and name HN )) 1.80 0.00 2.02
assign ((segid B and resid 20 and name HG* )) ((segid B and resid 24 and name HN )) 1.80 0.00 3.00
assign ((segid B and resid 20 and name HG* )) ((segid B and resid 25 and name HN )) 1.80 0.00 3.30
assign ((segid B and resid 20 and name HG* )) ((segid B and resid 26 and name HG2* )) 1.80 0.00 3.00
assign ((segid B and resid 20 and name HN )) ((segid B and resid 20 and name HB1 )) 1.80 0.00 2.07
assign ((segid B and resid 20 and name HN )) ((segid B and resid 20 and name HB2 )) 1.80 0.00 2.07
assign ((segid B and resid 20 and name HN )) ((segid B and resid 20 and name HG* )) 1.80 0.00 2.79
assign ((segid B and resid 20 and name HN )) ((segid B and resid 21 and name HN )) 1.80 0.00 3.18
assign ((segid B and resid 21 and name HA )) ((segid B and resid 22 and name HN )) 1.80 0.00 1.56
assign ((segid B and resid 21 and name HB1 )) ((segid B and resid 22 and name HN )) 1.80 0.00 2.61
assign ((segid B and resid 21 and name HB2 )) ((segid B and resid 22 and name HN )) 1.80 0.00 2.61
assign ((segid B and resid 21 and name HN )) ((segid B and resid 22 and name HN )) 1.80 0.00 3.27
assign ((segid B and resid 21 and name HN )) ((segid B and resid 25 and name HN )) 1.80 0.00 2.55
assign ((segid B and resid 21 and name HN )) ((segid B and resid 26 and name HA )) 1.80 0.00 2.72
assign ((segid B and resid 21 and name HN )) ((segid B and resid 26 and name HG2* )) 1.80 0.00 3.00
assign ((segid B and resid 22 and name HA )) ((segid B and resid 22 and name HG* )) 1.80 0.00 2.03
assign ((segid B and resid 22 and name HB* )) ((segid B and resid 23 and name HN )) 1.80 0.00 2.47
assign ((segid B and resid 22 and name HG* )) ((segid B and resid 23 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 22 and name HN )) ((segid B and resid 22 and name HB* )) 1.80 0.00 1.80
assign ((segid B and resid 22 and name HN )) ((segid B and resid 22 and name HG* )) 1.80 0.00 2.50
assign ((segid B and resid 22 and name HN )) ((segid B and resid 23 and name HN )) 1.80 0.00 3.00
assign ((segid B and resid 23 and name HB* )) ((segid B and resid 24 and name HN )) 1.80 0.00 2.23
assign ((segid B and resid 23 and name HN )) ((segid B and resid 23 and name HB1 )) 1.80 0.00 2.46
assign ((segid B and resid 23 and name HN )) ((segid B and resid 23 and name HB2 )) 1.80 0.00 2.46
assign ((segid B and resid 23 and name HN )) ((segid B and resid 24 and name HN )) 1.80 0.00 2.50
assign ((segid B and resid 24 and name HA1 )) ((segid B and resid 48 and name HG* )) 1.80 0.00 3.48
assign ((segid B and resid 24 and name HA2 )) ((segid B and resid 48 and name HG* )) 1.80 0.00 4.25
assign ((segid B and resid 24 and name HN )) ((segid B and resid 25 and name HN )) 1.80 0.00 1.59
assign ((segid B and resid 25 and name HA )) ((segid B and resid 26 and name HN )) 1.80 0.00 1.51
assign ((segid B and resid 25 and name HA )) ((segid B and resid 48 and name HD* )) 1.80 0.00 4.13
assign ((segid B and resid 25 and name HB* )) ((segid B and resid 45 and name HB* )) 1.80 0.00 2.59
assign ((segid B and resid 25 and name HB1 )) ((segid B and resid 26 and name HN )) 1.80 0.00 2.90
assign ((segid B and resid 25 and name HB2 )) ((segid B and resid 26 and name HN )) 1.80 0.00 2.90
assign ((segid B and resid 25 and name HE1 )) ((segid B and resid 47 and name HB* )) 1.80 0.00 4.25
assign ((segid B and resid 25 and name HE1 )) ((segid B and resid 48 and name HD1 )) 1.80 0.00 3.20
assign ((segid B and resid 25 and name HE1 )) ((segid B and resid 48 and name HD2 )) 1.80 0.00 3.20
assign ((segid B and resid 25 and name HE1 )) ((segid B and resid 48 and name HG2 )) 1.80 0.00 3.49
assign ((segid B and resid 25 and name HE1 )) ((segid B and resid 52 and name HE* )) 1.80 0.00 3.67
assign ((segid B and resid 25 and name HH2 )) ((segid B and resid 52 and name HB1 )) 1.80 0.00 3.77
assign ((segid B and resid 25 and name HH2 )) ((segid B and resid 52 and name HB2 )) 1.80 0.00 3.77
assign ((segid B and resid 25 and name HH2 )) ((segid B and resid 52 and name HD* )) 1.80 0.00 2.78
assign ((segid B and resid 25 and name HH2 )) ((segid B and resid 52 and name HG* )) 1.80 0.00 3.80
assign ((segid B and resid 25 and name HH2 )) ((segid B and resid 53 and name HN )) 1.80 0.00 3.41
assign ((segid B and resid 25 and name HN )) ((segid B and resid 25 and name HD1 )) 1.80 0.00 1.86
assign ((segid B and resid 25 and name HN )) ((segid B and resid 26 and name HN )) 1.80 0.00 3.41
assign ((segid B and resid 25 and name HN )) ((segid B and resid 48 and name HD* )) 1.80 0.00 3.29
assign ((segid B and resid 25 and name HZ2 )) ((segid B and resid 52 and name HD1 )) 1.80 0.00 2.63
assign ((segid B and resid 25 and name HZ2 )) ((segid B and resid 52 and name HD2 )) 1.80 0.00 2.63
assign ((segid B and resid 25 and name HZ2 )) ((segid B and resid 52 and name HG* )) 1.80 0.00 2.96
assign ((segid B and resid 25 and name HZ3 )) ((segid B and resid 45 and name HB* )) 1.80 0.00 2.90
assign ((segid B and resid 26 and name HA )) ((segid B and resid 26 and name HG2* )) 1.80 0.00 1.68
assign ((segid B and resid 26 and name HA )) ((segid B and resid 27 and name HN )) 1.80 0.00 1.81
assign ((segid B and resid 26 and name HB )) ((segid B and resid 27 and name HN )) 1.80 0.00 2.51
assign ((segid B and resid 26 and name HG2* )) ((segid B and resid 27 and name HN )) 1.80 0.00 3.03
assign ((segid B and resid 26 and name HN )) ((segid B and resid 26 and name HG2* )) 1.80 0.00 2.10
assign ((segid B and resid 26 and name HN )) ((segid B and resid 45 and name HB* )) 1.80 0.00 3.05
assign ((segid B and resid 26 and name HN )) ((segid B and resid 46 and name HB* )) 1.80 0.00 3.80
assign ((segid B and resid 26 and name HN )) ((segid B and resid 46 and name HN )) 1.80 0.00 2.47
assign ((segid B and resid 27 and name HA )) ((segid B and resid 27 and name HE* )) 1.80 0.00 3.42
assign ((segid B and resid 27 and name HA )) ((segid B and resid 28 and name HN )) 1.80 0.00 2.12
assign ((segid B and resid 27 and name HA )) ((segid B and resid 45 and name HA )) 1.80 0.00 2.61
assign ((segid B and resid 27 and name HA )) ((segid B and resid 45 and name HB* )) 1.80 0.00 2.26
assign ((segid B and resid 27 and name HA )) ((segid B and resid 46 and name HN )) 1.80 0.00 2.95
assign ((segid B and resid 27 and name HB* )) ((segid B and resid 27 and name HD* )) 1.80 0.00 1.71
assign ((segid B and resid 27 and name HB* )) ((segid B and resid 27 and name HE* )) 1.80 0.00 1.57
assign ((segid B and resid 27 and name HB* )) ((segid B and resid 28 and name HN )) 1.80 0.00 2.72
assign ((segid B and resid 27 and name HE* )) ((segid B and resid 45 and name HB* )) 1.80 0.00 3.20
assign ((segid B and resid 27 and name HG* )) ((segid B and resid 27 and name HE* )) 1.80 0.00 1.50
assign ((segid B and resid 27 and name HG* )) ((segid B and resid 28 and name HN )) 1.80 0.00 2.57
assign ((segid B and resid 27 and name HG* )) ((segid B and resid 44 and name HA )) 1.80 0.00 3.33
assign ((segid B and resid 27 and name HG* )) ((segid B and resid 45 and name HB* )) 1.80 0.00 3.20
assign ((segid B and resid 27 and name HG1 )) ((segid B and resid 45 and name HA )) 1.80 0.00 3.80
assign ((segid B and resid 27 and name HG2 )) ((segid B and resid 45 and name HA )) 1.80 0.00 3.80
assign ((segid B and resid 27 and name HN )) ((segid B and resid 27 and name HB* )) 1.80 0.00 1.86
assign ((segid B and resid 27 and name HN )) ((segid B and resid 27 and name HE* )) 1.80 0.00 3.50
assign ((segid B and resid 27 and name HN )) ((segid B and resid 27 and name HG* )) 1.80 0.00 2.95
assign ((segid B and resid 28 and name HA )) ((segid B and resid 29 and name HN )) 1.80 0.00 2.12
assign ((segid B and resid 28 and name HB* )) ((segid B and resid 46 and name HD1 )) 1.80 0.00 4.25
assign ((segid B and resid 28 and name HN )) ((segid B and resid 29 and name HN )) 1.80 0.00 3.41
assign ((segid B and resid 28 and name HN )) ((segid B and resid 44 and name HN )) 1.80 0.00 2.88
assign ((segid B and resid 28 and name HN )) ((segid B and resid 45 and name HA )) 1.80 0.00 2.74
assign ((segid B and resid 28 and name HN )) ((segid B and resid 45 and name HB* )) 1.80 0.00 3.21
assign ((segid B and resid 28 and name HN )) ((segid B and resid 46 and name HD1 )) 1.80 0.00 3.25
assign ((segid B and resid 29 and name HA )) ((segid B and resid 29 and name HD1* )) 1.80 0.00 2.72
assign ((segid B and resid 29 and name HA )) ((segid B and resid 29 and name HG2* )) 1.80 0.00 1.78
assign ((segid B and resid 29 and name HA )) ((segid B and resid 30 and name HN )) 1.80 0.00 1.80
assign ((segid B and resid 29 and name HA )) ((segid B and resid 43 and name HA )) 1.80 0.00 3.40
assign ((segid B and resid 29 and name HA )) ((segid B and resid 43 and name HG2* )) 1.80 0.00 2.48
assign ((segid B and resid 29 and name HA )) ((segid B and resid 44 and name HN )) 1.80 0.00 2.93
assign ((segid B and resid 29 and name HB )) ((segid B and resid 29 and name HD1* )) 1.80 0.00 1.38
assign ((segid B and resid 29 and name HD1* )) ((segid B and resid 64 and name HE* )) 1.80 0.00 3.01
assign ((segid B and resid 29 and name HD1* )) ((segid B and resid 64 and name HZ )) 1.80 0.00 3.19
assign ((segid B and resid 29 and name HD1* )) ((segid B and resid 67 and name HE* )) 1.80 0.00 2.89
assign ((segid B and resid 29 and name HG1* )) ((segid B and resid 30 and name HN )) 1.80 0.00 3.29
assign ((segid B and resid 29 and name HG1* )) ((segid B and resid 43 and name HA )) 1.80 0.00 3.73
assign ((segid B and resid 29 and name HG1* )) ((segid B and resid 43 and name HG2* )) 1.80 0.00 2.50
assign ((segid B and resid 29 and name HG2* )) ((segid B and resid 29 and name HD1* )) 1.80 0.00 1.50
assign ((segid B and resid 29 and name HG2* )) ((segid B and resid 30 and name HN )) 1.80 0.00 2.03
assign ((segid B and resid 29 and name HG2* )) ((segid B and resid 41 and name HA )) 1.80 0.00 3.08
assign ((segid B and resid 29 and name HG2* )) ((segid B and resid 41 and name HB* )) 1.80 0.00 3.10
assign ((segid B and resid 29 and name HG2* )) ((segid B and resid 42 and name HN )) 1.80 0.00 2.29
assign ((segid B and resid 29 and name HG2* )) ((segid B and resid 43 and name HA )) 1.80 0.00 2.43
assign ((segid B and resid 29 and name HG2* )) ((segid B and resid 43 and name HG1* )) 1.80 0.00 2.50
assign ((segid B and resid 29 and name HG2* )) ((segid B and resid 44 and name HN )) 1.80 0.00 3.27
assign ((segid B and resid 29 and name HG2* )) ((segid B and resid 64 and name HD* )) 1.80 0.00 3.63
assign ((segid B and resid 29 and name HG2* )) ((segid B and resid 64 and name HE* )) 1.80 0.00 2.71
assign ((segid B and resid 29 and name HG2* )) ((segid B and resid 64 and name HZ )) 1.80 0.00 1.63
assign ((segid B and resid 29 and name HN )) ((segid B and resid 29 and name HD1* )) 1.80 0.00 2.91
assign ((segid B and resid 30 and name HA )) ((segid B and resid 31 and name HN )) 1.80 0.00 1.80
assign ((segid B and resid 30 and name HB* )) ((segid B and resid 30 and name HD2* )) 1.80 0.00 1.53
assign ((segid B and resid 30 and name HB* )) ((segid B and resid 31 and name HN )) 1.80 0.00 2.04
assign ((segid B and resid 30 and name HB* )) ((segid B and resid 32 and name HG2* )) 1.80 0.00 3.26
assign ((segid B and resid 30 and name HN )) ((segid B and resid 31 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 30 and name HN )) ((segid B and resid 41 and name HA )) 1.80 0.00 4.03
assign ((segid B and resid 30 and name HN )) ((segid B and resid 42 and name HN )) 1.80 0.00 2.82
assign ((segid B and resid 30 and name HN )) ((segid B and resid 43 and name HA )) 1.80 0.00 3.48
assign ((segid B and resid 30 and name HN )) ((segid B and resid 43 and name HG2* )) 1.80 0.00 3.68
assign ((segid B and resid 31 and name HA )) ((segid B and resid 32 and name HN )) 1.80 0.00 1.85
assign ((segid B and resid 31 and name HA )) ((segid B and resid 41 and name HA )) 1.80 0.00 2.71
assign ((segid B and resid 31 and name HA )) ((segid B and resid 42 and name HN )) 1.80 0.00 2.71
assign ((segid B and resid 31 and name HB* )) ((segid B and resid 31 and name HD* )) 1.80 0.00 1.59
assign ((segid B and resid 31 and name HB* )) ((segid B and resid 39 and name HB* )) 1.80 0.00 2.27
assign ((segid B and resid 31 and name HB1 )) ((segid B and resid 31 and name HD1 )) 1.80 0.00 2.59
assign ((segid B and resid 31 and name HB1 )) ((segid B and resid 31 and name HD2 )) 1.80 0.00 2.59
assign ((segid B and resid 31 and name HB1 )) ((segid B and resid 32 and name HN )) 1.80 0.00 2.96
assign ((segid B and resid 31 and name HB2 )) ((segid B and resid 31 and name HD1 )) 1.80 0.00 2.59
assign ((segid B and resid 31 and name HB2 )) ((segid B and resid 31 and name HD2 )) 1.80 0.00 2.59
assign ((segid B and resid 31 and name HB2 )) ((segid B and resid 32 and name HN )) 1.80 0.00 2.96
assign ((segid B and resid 31 and name HD* )) ((segid B and resid 31 and name HH2* )) 1.80 0.00 3.20
assign ((segid B and resid 31 and name HD* )) ((segid B and resid 39 and name HB* )) 1.80 0.00 2.92
assign ((segid B and resid 31 and name HD* )) ((segid B and resid 41 and name HA )) 1.80 0.00 3.62
assign ((segid B and resid 31 and name HD* )) ((segid B and resid 41 and name HD* )) 1.80 0.00 3.20
assign ((segid B and resid 31 and name HE )) ((segid B and resid 39 and name HB* )) 1.80 0.00 2.94
assign ((segid B and resid 31 and name HG* )) ((segid B and resid 32 and name HN )) 1.80 0.00 3.26
assign ((segid B and resid 31 and name HG* )) ((segid B and resid 41 and name HA )) 1.80 0.00 2.47
assign ((segid B and resid 31 and name HG* )) ((segid B and resid 41 and name HD* )) 1.80 0.00 3.38
assign ((segid B and resid 31 and name HG* )) ((segid B and resid 42 and name HN )) 1.80 0.00 3.37
assign ((segid B and resid 31 and name HH2* )) ((segid B and resid 39 and name HB* )) 1.80 0.00 2.42
assign ((segid B and resid 31 and name HN )) ((segid B and resid 31 and name HG* )) 1.80 0.00 2.24
assign ((segid B and resid 32 and name HA )) ((segid B and resid 32 and name HG1* )) 1.80 0.00 1.81
assign ((segid B and resid 32 and name HA )) ((segid B and resid 32 and name HG2* )) 1.80 0.00 2.03
assign ((segid B and resid 32 and name HA )) ((segid B and resid 33 and name HN )) 1.80 0.00 2.09
assign ((segid B and resid 32 and name HB )) ((segid B and resid 33 and name HN )) 1.80 0.00 3.29
assign ((segid B and resid 32 and name HB )) ((segid B and resid 34 and name HZ )) 1.80 0.00 3.00
assign ((segid B and resid 32 and name HG1* )) ((segid B and resid 33 and name HN )) 1.80 0.00 2.07
assign ((segid B and resid 32 and name HG1* )) ((segid B and resid 34 and name HD* )) 1.80 0.00 2.59
assign ((segid B and resid 32 and name HG1* )) ((segid B and resid 34 and name HZ )) 1.80 0.00 2.26
assign ((segid B and resid 32 and name HG2* )) ((segid B and resid 33 and name HN )) 1.80 0.00 3.05
assign ((segid B and resid 32 and name HG2* )) ((segid B and resid 34 and name HZ )) 1.80 0.00 2.80
assign ((segid B and resid 32 and name HG2* )) ((segid B and resid 42 and name HB* )) 1.80 0.00 2.15
assign ((segid B and resid 32 and name HN )) ((segid B and resid 32 and name HB )) 1.80 0.00 2.38
assign ((segid B and resid 32 and name HN )) ((segid B and resid 32 and name HG1* )) 1.80 0.00 2.67
assign ((segid B and resid 32 and name HN )) ((segid B and resid 32 and name HG2* )) 1.80 0.00 2.01
assign ((segid B and resid 32 and name HN )) ((segid B and resid 33 and name HN )) 1.80 0.00 3.33
assign ((segid B and resid 32 and name HN )) ((segid B and resid 39 and name HA )) 1.80 0.00 3.42
assign ((segid B and resid 32 and name HN )) ((segid B and resid 39 and name HB* )) 1.80 0.00 2.41
assign ((segid B and resid 32 and name HN )) ((segid B and resid 40 and name HN )) 1.80 0.00 2.42
assign ((segid B and resid 32 and name HN )) ((segid B and resid 42 and name HB* )) 1.80 0.00 2.86
assign ((segid B and resid 33 and name HA )) ((segid B and resid 34 and name HN )) 1.80 0.00 1.80
assign ((segid B and resid 33 and name HA )) ((segid B and resid 39 and name HA )) 1.80 0.00 2.61
assign ((segid B and resid 33 and name HA )) ((segid B and resid 39 and name HB* )) 1.80 0.00 2.50
assign ((segid B and resid 33 and name HA )) ((segid B and resid 39 and name HN )) 1.80 0.00 3.11
assign ((segid B and resid 33 and name HA )) ((segid B and resid 40 and name HN )) 1.80 0.00 2.80
assign ((segid B and resid 33 and name HB* )) ((segid B and resid 39 and name HB* )) 1.80 0.00 2.02
assign ((segid B and resid 33 and name HN )) ((segid B and resid 34 and name HN )) 1.80 0.00 3.39
assign ((segid B and resid 33 and name HN )) ((segid B and resid 39 and name HB* )) 1.80 0.00 3.49
assign ((segid B and resid 34 and name HA )) ((segid B and resid 34 and name HD* )) 1.80 0.00 2.55
assign ((segid B and resid 34 and name HA )) ((segid B and resid 35 and name HN )) 1.80 0.00 1.79
assign ((segid B and resid 34 and name HB* )) ((segid B and resid 35 and name HN )) 1.80 0.00 2.50
assign ((segid B and resid 34 and name HD* )) ((segid B and resid 35 and name HN )) 1.80 0.00 3.27
assign ((segid B and resid 34 and name HN )) ((segid B and resid 34 and name HD* )) 1.80 0.00 2.83
assign ((segid B and resid 34 and name HZ )) ((segid B and resid 58 and name HG2* )) 1.80 0.00 3.00
assign ((segid B and resid 35 and name HA )) ((segid B and resid 36 and name HN )) 1.80 0.00 1.80
assign ((segid B and resid 35 and name HB* )) ((segid B and resid 35 and name HD2* )) 1.80 0.00 1.53
assign ((segid B and resid 35 and name HB* )) ((segid B and resid 36 and name HN )) 1.80 0.00 2.20
assign ((segid B and resid 35 and name HN )) ((segid B and resid 36 and name HN )) 1.80 0.00 2.80
assign ((segid B and resid 36 and name HA* )) ((segid B and resid 37 and name HN )) 1.80 0.00 1.60
assign ((segid B and resid 36 and name HN )) ((segid B and resid 37 and name HN )) 1.80 0.00 3.00
assign ((segid B and resid 37 and name HA )) ((segid B and resid 38 and name HD* )) 1.80 0.00 1.54
assign ((segid B and resid 37 and name HB* )) ((segid B and resid 38 and name HD* )) 1.80 0.00 3.20
assign ((segid B and resid 37 and name HB* )) ((segid B and resid 38 and name HG* )) 1.80 0.00 3.20
assign ((segid B and resid 37 and name HN )) ((segid B and resid 37 and name HB* )) 1.80 0.00 1.50
assign ((segid B and resid 38 and name HA )) ((segid B and resid 39 and name HB* )) 1.80 0.00 2.71
assign ((segid B and resid 38 and name HA )) ((segid B and resid 39 and name HN )) 1.80 0.00 2.00
assign ((segid B and resid 38 and name HB* )) ((segid B and resid 39 and name HN )) 1.80 0.00 2.18
assign ((segid B and resid 38 and name HG* )) ((segid B and resid 39 and name HN )) 1.80 0.00 3.58
assign ((segid B and resid 39 and name HA )) ((segid B and resid 40 and name HB* )) 1.80 0.00 3.27
assign ((segid B and resid 39 and name HA )) ((segid B and resid 40 and name HN )) 1.80 0.00 1.87
assign ((segid B and resid 39 and name HB* )) ((segid B and resid 40 and name HN )) 1.80 0.00 1.91
assign ((segid B and resid 39 and name HN )) ((segid B and resid 39 and name HB* )) 1.80 0.00 1.43
assign ((segid B and resid 39 and name HN )) ((segid B and resid 40 and name HN )) 1.80 0.00 3.22
assign ((segid B and resid 40 and name HA )) ((segid B and resid 40 and name HD* )) 1.80 0.00 2.80
assign ((segid B and resid 40 and name HA )) ((segid B and resid 41 and name HN )) 1.80 0.00 1.67
assign ((segid B and resid 40 and name HB* )) ((segid B and resid 40 and name HE* )) 1.80 0.00 2.39
assign ((segid B and resid 40 and name HB* )) ((segid B and resid 41 and name HN )) 1.80 0.00 2.08
assign ((segid B and resid 40 and name HD* )) ((segid B and resid 41 and name HN )) 1.80 0.00 3.30
assign ((segid B and resid 40 and name HD* )) ((segid B and resid 60 and name HA )) 1.80 0.00 3.49
assign ((segid B and resid 40 and name HD* )) ((segid B and resid 61 and name HN )) 1.80 0.00 3.47
assign ((segid B and resid 40 and name HE* )) ((segid B and resid 60 and name HA )) 1.80 0.00 3.00
assign ((segid B and resid 40 and name HE* )) ((segid B and resid 61 and name HN )) 1.80 0.00 3.00
assign ((segid B and resid 40 and name HG* )) ((segid B and resid 40 and name HE* )) 1.80 0.00 1.57
assign ((segid B and resid 40 and name HG* )) ((segid B and resid 60 and name HA )) 1.80 0.00 2.97
assign ((segid B and resid 40 and name HG1 )) ((segid B and resid 41 and name HN )) 1.80 0.00 3.48
assign ((segid B and resid 40 and name HG2 )) ((segid B and resid 41 and name HN )) 1.80 0.00 3.48
assign ((segid B and resid 40 and name HN )) ((segid B and resid 40 and name HB* )) 1.80 0.00 2.12
assign ((segid B and resid 40 and name HN )) ((segid B and resid 40 and name HD* )) 1.80 0.00 3.15
assign ((segid B and resid 41 and name HA )) ((segid B and resid 41 and name HD* )) 1.80 0.00 2.89
assign ((segid B and resid 41 and name HA )) ((segid B and resid 42 and name HN )) 1.80 0.00 1.92
assign ((segid B and resid 41 and name HB* )) ((segid B and resid 59 and name HN )) 1.80 0.00 3.78
assign ((segid B and resid 41 and name HB* )) ((segid B and resid 64 and name HZ )) 1.80 0.00 3.60
assign ((segid B and resid 41 and name HB1 )) ((segid B and resid 42 and name HN )) 1.80 0.00 3.13
assign ((segid B and resid 41 and name HB1 )) ((segid B and resid 59 and name HD1* )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HB2 )) ((segid B and resid 42 and name HN )) 1.80 0.00 3.13
assign ((segid B and resid 41 and name HB2 )) ((segid B and resid 59 and name HD1* )) 1.80 0.00 3.90
assign ((segid B and resid 41 and name HD* )) ((segid B and resid 42 and name HN )) 1.80 0.00 3.07
assign ((segid B and resid 41 and name HD* )) ((segid B and resid 61 and name HA )) 1.80 0.00 2.60
assign ((segid B and resid 41 and name HD* )) ((segid B and resid 64 and name HA )) 1.80 0.00 3.76
assign ((segid B and resid 41 and name HN )) ((segid B and resid 41 and name HB1 )) 1.80 0.00 2.41
assign ((segid B and resid 41 and name HN )) ((segid B and resid 41 and name HB2 )) 1.80 0.00 2.41
assign ((segid B and resid 41 and name HN )) ((segid B and resid 41 and name HD* )) 1.80 0.00 2.22
assign ((segid B and resid 41 and name HN )) ((segid B and resid 42 and name HN )) 1.80 0.00 3.27
assign ((segid B and resid 41 and name HN )) ((segid B and resid 59 and name HN )) 1.80 0.00 3.84
assign ((segid B and resid 42 and name HA )) ((segid B and resid 43 and name HN )) 1.80 0.00 1.95
assign ((segid B and resid 42 and name HA )) ((segid B and resid 57 and name HG2* )) 1.80 0.00 3.46
assign ((segid B and resid 42 and name HA )) ((segid B and resid 58 and name HA )) 1.80 0.00 2.63
assign ((segid B and resid 42 and name HA )) ((segid B and resid 58 and name HG2* )) 1.80 0.00 2.35
assign ((segid B and resid 42 and name HA )) ((segid B and resid 59 and name HD1* )) 1.80 0.00 3.56
assign ((segid B and resid 42 and name HA )) ((segid B and resid 59 and name HG )) 1.80 0.00 3.71
assign ((segid B and resid 42 and name HA )) ((segid B and resid 59 and name HN )) 1.80 0.00 3.13
assign ((segid B and resid 42 and name HB* )) ((segid B and resid 59 and name HN )) 1.80 0.00 4.07
assign ((segid B and resid 42 and name HN )) ((segid B and resid 58 and name HA )) 1.80 0.00 4.25
assign ((segid B and resid 43 and name HA )) ((segid B and resid 43 and name HD1* )) 1.80 0.00 2.51
assign ((segid B and resid 43 and name HA )) ((segid B and resid 43 and name HG2* )) 1.80 0.00 1.83
assign ((segid B and resid 43 and name HA )) ((segid B and resid 44 and name HN )) 1.80 0.00 1.80
assign ((segid B and resid 43 and name HA )) ((segid B and resid 57 and name HG2* )) 1.80 0.00 3.71
assign ((segid B and resid 43 and name HB )) ((segid B and resid 43 and name HD1* )) 1.80 0.00 1.67
assign ((segid B and resid 43 and name HB )) ((segid B and resid 57 and name HG2* )) 1.80 0.00 1.83
assign ((segid B and resid 43 and name HB )) ((segid B and resid 57 and name HN )) 1.80 0.00 2.88
assign ((segid B and resid 43 and name HD1* )) ((segid B and resid 57 and name HG2* )) 1.80 0.00 2.50
assign ((segid B and resid 43 and name HD1* )) ((segid B and resid 58 and name HA )) 1.80 0.00 4.25
assign ((segid B and resid 43 and name HD1* )) ((segid B and resid 59 and name HD2* )) 1.80 0.00 3.03
assign ((segid B and resid 43 and name HD1* )) ((segid B and resid 64 and name HD* )) 1.80 0.00 3.80
assign ((segid B and resid 43 and name HD1* )) ((segid B and resid 64 and name HE* )) 1.80 0.00 2.69
assign ((segid B and resid 43 and name HD1* )) ((segid B and resid 67 and name HE* )) 1.80 0.00 2.45
assign ((segid B and resid 43 and name HG1* )) ((segid B and resid 57 and name HG2* )) 1.80 0.00 2.01
assign ((segid B and resid 43 and name HG1* )) ((segid B and resid 57 and name HN )) 1.80 0.00 3.79
assign ((segid B and resid 43 and name HG2* )) ((segid B and resid 43 and name HG1* )) 1.80 0.00 1.59
assign ((segid B and resid 43 and name HG2* )) ((segid B and resid 44 and name HN )) 1.80 0.00 2.25
assign ((segid B and resid 43 and name HG2* )) ((segid B and resid 57 and name HN )) 1.80 0.00 4.25
assign ((segid B and resid 43 and name HG2* )) ((segid B and resid 64 and name HE* )) 1.80 0.00 4.25
assign ((segid B and resid 43 and name HN )) ((segid B and resid 43 and name HD1* )) 1.80 0.00 2.60
assign ((segid B and resid 43 and name HN )) ((segid B and resid 43 and name HG11 )) 1.80 0.00 2.92
assign ((segid B and resid 43 and name HN )) ((segid B and resid 43 and name HG12 )) 1.80 0.00 2.92
assign ((segid B and resid 43 and name HN )) ((segid B and resid 43 and name HG2* )) 1.80 0.00 2.57
assign ((segid B and resid 43 and name HN )) ((segid B and resid 57 and name HG2* )) 1.80 0.00 2.02
assign ((segid B and resid 43 and name HN )) ((segid B and resid 57 and name HN )) 1.80 0.00 2.53
assign ((segid B and resid 43 and name HN )) ((segid B and resid 58 and name HA )) 1.80 0.00 2.82
assign ((segid B and resid 43 and name HN )) ((segid B and resid 58 and name HG2* )) 1.80 0.00 3.49
assign ((segid B and resid 43 and name HN )) ((segid B and resid 59 and name HD1* )) 1.80 0.00 3.55
assign ((segid B and resid 43 and name HN )) ((segid B and resid 59 and name HG )) 1.80 0.00 3.81
assign ((segid B and resid 43 and name HN )) ((segid B and resid 59 and name HN )) 1.80 0.00 3.79
assign ((segid B and resid 44 and name HA )) ((segid B and resid 45 and name HN )) 1.80 0.00 2.00
assign ((segid B and resid 44 and name HB* )) ((segid B and resid 45 and name HN )) 1.80 0.00 2.00
assign ((segid B and resid 44 and name HN )) ((segid B and resid 45 and name HN )) 1.80 0.00 3.60
assign ((segid B and resid 45 and name HA )) ((segid B and resid 46 and name HN )) 1.80 0.00 2.10
assign ((segid B and resid 45 and name HB* )) ((segid B and resid 46 and name HN )) 1.80 0.00 1.89
assign ((segid B and resid 45 and name HB* )) ((segid B and resid 54 and name HA* )) 1.80 0.00 2.50
assign ((segid B and resid 45 and name HB* )) ((segid B and resid 55 and name HN )) 1.80 0.00 4.25
assign ((segid B and resid 45 and name HN )) ((segid B and resid 45 and name HB* )) 1.80 0.00 1.62
assign ((segid B and resid 46 and name HA )) ((segid B and resid 47 and name HN )) 1.80 0.00 2.01
assign ((segid B and resid 46 and name HB* )) ((segid B and resid 47 and name HN )) 1.80 0.00 2.30
assign ((segid B and resid 46 and name HN )) ((segid B and resid 46 and name HD1 )) 1.80 0.00 3.25
assign ((segid B and resid 46 and name HN )) ((segid B and resid 47 and name HN )) 1.80 0.00 3.67
assign ((segid B and resid 49 and name HA )) ((segid B and resid 50 and name HN )) 1.80 0.00 2.00
assign ((segid B and resid 49 and name HB* )) ((segid B and resid 50 and name HN )) 1.80 0.00 2.20
assign ((segid B and resid 49 and name HN )) ((segid B and resid 50 and name HN )) 1.80 0.00 3.00
assign ((segid B and resid 50 and name HA )) ((segid B and resid 50 and name HD* )) 1.80 0.00 3.29
assign ((segid B and resid 50 and name HA )) ((segid B and resid 51 and name HN )) 1.80 0.00 2.00
assign ((segid B and resid 50 and name HN )) ((segid B and resid 51 and name HN )) 1.80 0.00 2.66
assign ((segid B and resid 51 and name HA )) ((segid B and resid 51 and name HG2* )) 1.80 0.00 1.81
assign ((segid B and resid 51 and name HA )) ((segid B and resid 52 and name HN )) 1.80 0.00 2.10
assign ((segid B and resid 51 and name HB )) ((segid B and resid 52 and name HN )) 1.80 0.00 3.28
assign ((segid B and resid 51 and name HG2* )) ((segid B and resid 52 and name HN )) 1.80 0.00 2.50
assign ((segid B and resid 51 and name HN )) ((segid B and resid 51 and name HG2* )) 1.80 0.00 2.20
assign ((segid B and resid 51 and name HN )) ((segid B and resid 52 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 52 and name HA )) ((segid B and resid 52 and name HD* )) 1.80 0.00 2.67
assign ((segid B and resid 52 and name HA )) ((segid B and resid 52 and name HG* )) 1.80 0.00 1.98
assign ((segid B and resid 52 and name HA )) ((segid B and resid 53 and name HN )) 1.80 0.00 1.80
assign ((segid B and resid 52 and name HB* )) ((segid B and resid 52 and name HD1 )) 1.80 0.00 1.65
assign ((segid B and resid 52 and name HB* )) ((segid B and resid 52 and name HD2 )) 1.80 0.00 1.65
assign ((segid B and resid 52 and name HB1 )) ((segid B and resid 52 and name HD* )) 1.80 0.00 1.72
assign ((segid B and resid 52 and name HB1 )) ((segid B and resid 52 and name HE* )) 1.80 0.00 3.67
assign ((segid B and resid 52 and name HB1 )) ((segid B and resid 53 and name HN )) 1.80 0.00 2.54
assign ((segid B and resid 52 and name HB2 )) ((segid B and resid 52 and name HD* )) 1.80 0.00 1.72
assign ((segid B and resid 52 and name HB2 )) ((segid B and resid 52 and name HE* )) 1.80 0.00 3.67
assign ((segid B and resid 52 and name HB2 )) ((segid B and resid 53 and name HN )) 1.80 0.00 2.24
assign ((segid B and resid 52 and name HD1 )) ((segid B and resid 52 and name HE* )) 1.80 0.00 1.51
assign ((segid B and resid 52 and name HD2 )) ((segid B and resid 52 and name HE* )) 1.80 0.00 1.51
assign ((segid B and resid 52 and name HG* )) ((segid B and resid 52 and name HE* )) 1.80 0.00 1.31
assign ((segid B and resid 52 and name HG* )) ((segid B and resid 53 and name HN )) 1.80 0.00 3.00
assign ((segid B and resid 52 and name HN )) ((segid B and resid 52 and name HG* )) 1.80 0.00 2.41
assign ((segid B and resid 52 and name HN )) ((segid B and resid 53 and name HN )) 1.80 0.00 3.80
assign ((segid B and resid 53 and name HA )) ((segid B and resid 54 and name HN )) 1.80 0.00 1.80
assign ((segid B and resid 53 and name HB* )) ((segid B and resid 53 and name HE* )) 1.80 0.00 1.92
assign ((segid B and resid 53 and name HB1 )) ((segid B and resid 54 and name HN )) 1.80 0.00 3.02
assign ((segid B and resid 53 and name HB2 )) ((segid B and resid 54 and name HN )) 1.80 0.00 3.02
assign ((segid B and resid 53 and name HG* )) ((segid B and resid 53 and name HE* )) 1.80 0.00 2.05
assign ((segid B and resid 53 and name HG* )) ((segid B and resid 54 and name HN )) 1.80 0.00 2.90
assign ((segid B and resid 53 and name HN )) ((segid B and resid 53 and name HG* )) 1.80 0.00 2.30
assign ((segid B and resid 53 and name HN )) ((segid B and resid 54 and name HN )) 1.80 0.00 3.48
assign ((segid B and resid 54 and name HA1 )) ((segid B and resid 55 and name HN )) 1.80 0.00 1.95
assign ((segid B and resid 54 and name HA2 )) ((segid B and resid 55 and name HN )) 1.80 0.00 1.95
assign ((segid B and resid 54 and name HN )) ((segid B and resid 55 and name HN )) 1.80 0.00 3.44
assign ((segid B and resid 55 and name HA )) ((segid B and resid 55 and name HD* )) 1.80 0.00 2.67
assign ((segid B and resid 55 and name HA )) ((segid B and resid 55 and name HG* )) 1.80 0.00 1.67
assign ((segid B and resid 55 and name HA )) ((segid B and resid 56 and name HN )) 1.80 0.00 1.83
assign ((segid B and resid 55 and name HB* )) ((segid B and resid 55 and name HD* )) 1.80 0.00 1.50
assign ((segid B and resid 55 and name HB* )) ((segid B and resid 55 and name HE* )) 1.80 0.00 3.51
assign ((segid B and resid 55 and name HB* )) ((segid B and resid 56 and name HN )) 1.80 0.00 2.05
assign ((segid B and resid 55 and name HG* )) ((segid B and resid 56 and name HN )) 1.80 0.00 2.69
assign ((segid B and resid 55 and name HG1 )) ((segid B and resid 55 and name HE* )) 1.80 0.00 1.49
assign ((segid B and resid 55 and name HG2 )) ((segid B and resid 55 and name HE* )) 1.80 0.00 1.49
assign ((segid B and resid 55 and name HN )) ((segid B and resid 55 and name HB* )) 1.80 0.00 1.63
assign ((segid B and resid 55 and name HN )) ((segid B and resid 55 and name HD* )) 1.80 0.00 2.78
assign ((segid B and resid 55 and name HN )) ((segid B and resid 55 and name HG* )) 1.80 0.00 2.07
assign ((segid B and resid 55 and name HN )) ((segid B and resid 56 and name HN )) 1.80 0.00 3.34
assign ((segid B and resid 56 and name HA* )) ((segid B and resid 57 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 56 and name HN )) ((segid B and resid 57 and name HN )) 1.80 0.00 3.17
assign ((segid B and resid 57 and name HA )) ((segid B and resid 57 and name HG1* )) 1.80 0.00 2.12
assign ((segid B and resid 57 and name HA )) ((segid B and resid 58 and name HN )) 1.80 0.00 1.80
assign ((segid B and resid 57 and name HB )) ((segid B and resid 57 and name HD1* )) 1.80 0.00 1.41
assign ((segid B and resid 57 and name HB )) ((segid B and resid 58 and name HN )) 1.80 0.00 2.67
assign ((segid B and resid 57 and name HD1* )) ((segid B and resid 58 and name HN )) 1.80 0.00 2.53
assign ((segid B and resid 57 and name HG1* )) ((segid B and resid 58 and name HN )) 1.80 0.00 1.82
assign ((segid B and resid 57 and name HG2* )) ((segid B and resid 57 and name HD1* )) 1.80 0.00 2.22
assign ((segid B and resid 57 and name HG2* )) ((segid B and resid 57 and name HG1* )) 1.80 0.00 1.65
assign ((segid B and resid 57 and name HG2* )) ((segid B and resid 58 and name HN )) 1.80 0.00 2.37
assign ((segid B and resid 57 and name HN )) ((segid B and resid 57 and name HB )) 1.80 0.00 2.36
assign ((segid B and resid 57 and name HN )) ((segid B and resid 57 and name HG1* )) 1.80 0.00 3.32
assign ((segid B and resid 57 and name HN )) ((segid B and resid 57 and name HG2* )) 1.80 0.00 1.58
assign ((segid B and resid 57 and name HN )) ((segid B and resid 58 and name HN )) 1.80 0.00 3.30
assign ((segid B and resid 58 and name HA )) ((segid B and resid 58 and name HG2* )) 1.80 0.00 1.92
assign ((segid B and resid 58 and name HA )) ((segid B and resid 59 and name HN )) 1.80 0.00 2.01
assign ((segid B and resid 58 and name HB )) ((segid B and resid 59 and name HN )) 1.80 0.00 2.80
assign ((segid B and resid 58 and name HG2* )) ((segid B and resid 59 and name HN )) 1.80 0.00 3.00
assign ((segid B and resid 58 and name HN )) ((segid B and resid 58 and name HB )) 1.80 0.00 2.28
assign ((segid B and resid 58 and name HN )) ((segid B and resid 58 and name HG2* )) 1.80 0.00 2.45
assign ((segid B and resid 58 and name HN )) ((segid B and resid 59 and name HN )) 1.80 0.00 3.28
assign ((segid B and resid 59 and name HA )) ((segid B and resid 59 and name HD1* )) 1.80 0.00 2.50
assign ((segid B and resid 59 and name HA )) ((segid B and resid 59 and name HD2* )) 1.80 0.00 1.80
assign ((segid B and resid 59 and name HA )) ((segid B and resid 60 and name HN )) 1.80 0.00 1.68
assign ((segid B and resid 59 and name HB* )) ((segid B and resid 59 and name HD1* )) 1.80 0.00 1.41
assign ((segid B and resid 59 and name HB* )) ((segid B and resid 59 and name HD2* )) 1.80 0.00 1.39
assign ((segid B and resid 59 and name HD1* )) ((segid B and resid 60 and name HN )) 1.80 0.00 3.79
assign ((segid B and resid 59 and name HD2* )) ((segid B and resid 60 and name HN )) 1.80 0.00 2.90
assign ((segid B and resid 59 and name HN )) ((segid B and resid 59 and name HD1* )) 1.80 0.00 2.93
assign ((segid B and resid 59 and name HN )) ((segid B and resid 59 and name HD2* )) 1.80 0.00 3.05
assign ((segid B and resid 59 and name HN )) ((segid B and resid 59 and name HG )) 1.80 0.00 2.42
assign ((segid B and resid 60 and name HA )) ((segid B and resid 61 and name HN )) 1.80 0.00 1.81
assign ((segid B and resid 60 and name HB* )) ((segid B and resid 61 and name HN )) 1.80 0.00 1.83
assign ((segid B and resid 61 and name HA )) ((segid B and resid 62 and name HN )) 1.80 0.00 2.00
assign ((segid B and resid 61 and name HA )) ((segid B and resid 64 and name HB* )) 1.80 0.00 3.09
assign ((segid B and resid 61 and name HA )) ((segid B and resid 65 and name HN )) 1.80 0.00 3.44
assign ((segid B and resid 61 and name HB* )) ((segid B and resid 61 and name HD2* )) 1.80 0.00 1.39
assign ((segid B and resid 61 and name HB* )) ((segid B and resid 62 and name HN )) 1.80 0.00 1.72
assign ((segid B and resid 61 and name HD2* )) ((segid B and resid 62 and name HN )) 1.80 0.00 3.32
assign ((segid B and resid 61 and name HN )) ((segid B and resid 61 and name HB* )) 1.80 0.00 1.86
assign ((segid B and resid 61 and name HN )) ((segid B and resid 62 and name HN )) 1.80 0.00 2.07
assign ((segid B and resid 62 and name HA )) ((segid B and resid 62 and name HG1 )) 1.80 0.00 2.55
assign ((segid B and resid 62 and name HA )) ((segid B and resid 62 and name HG2 )) 1.80 0.00 2.55
assign ((segid B and resid 62 and name HA )) ((segid B and resid 63 and name HN )) 1.80 0.00 2.00
assign ((segid B and resid 62 and name HA )) ((segid B and resid 65 and name HB* )) 1.80 0.00 2.45
assign ((segid B and resid 62 and name HA )) ((segid B and resid 65 and name HN )) 1.80 0.00 3.05
assign ((segid B and resid 62 and name HA )) ((segid B and resid 66 and name HN )) 1.80 0.00 2.90
assign ((segid B and resid 62 and name HB* )) ((segid B and resid 63 and name HN )) 1.80 0.00 2.43
assign ((segid B and resid 62 and name HG1 )) ((segid B and resid 63 and name HN )) 1.80 0.00 3.34
assign ((segid B and resid 62 and name HG2 )) ((segid B and resid 63 and name HN )) 1.80 0.00 3.34
assign ((segid B and resid 62 and name HN )) ((segid B and resid 62 and name HB* )) 1.80 0.00 1.51
assign ((segid B and resid 62 and name HN )) ((segid B and resid 62 and name HG1 )) 1.80 0.00 2.86
assign ((segid B and resid 62 and name HN )) ((segid B and resid 62 and name HG2 )) 1.80 0.00 3.20
assign ((segid B and resid 62 and name HN )) ((segid B and resid 63 and name HN )) 1.80 0.00 2.19
assign ((segid B and resid 63 and name HA )) ((segid B and resid 63 and name HG* )) 1.80 0.00 2.20
assign ((segid B and resid 63 and name HA )) ((segid B and resid 64 and name HN )) 1.80 0.00 2.00
assign ((segid B and resid 63 and name HA )) ((segid B and resid 66 and name HB )) 1.80 0.00 2.75
assign ((segid B and resid 63 and name HA )) ((segid B and resid 66 and name HG2* )) 1.80 0.00 3.02
assign ((segid B and resid 63 and name HA )) ((segid B and resid 66 and name HN )) 1.80 0.00 2.69
assign ((segid B and resid 63 and name HA )) ((segid B and resid 67 and name HN )) 1.80 0.00 3.58
assign ((segid B and resid 63 and name HB* )) ((segid B and resid 64 and name HN )) 1.80 0.00 2.02
assign ((segid B and resid 63 and name HG* )) ((segid B and resid 64 and name HN )) 1.80 0.00 3.24
assign ((segid B and resid 63 and name HN )) ((segid B and resid 64 and name HB* )) 1.80 0.00 2.96
assign ((segid B and resid 63 and name HN )) ((segid B and resid 64 and name HN )) 1.80 0.00 2.47
assign ((segid B and resid 64 and name HA )) ((segid B and resid 64 and name HD* )) 1.80 0.00 2.35
assign ((segid B and resid 64 and name HA )) ((segid B and resid 64 and name HE* )) 1.80 0.00 3.36
assign ((segid B and resid 64 and name HA )) ((segid B and resid 65 and name HN )) 1.80 0.00 2.00
assign ((segid B and resid 64 and name HA )) ((segid B and resid 67 and name HE* )) 1.80 0.00 2.00
assign ((segid B and resid 64 and name HA )) ((segid B and resid 67 and name HB* )) 1.80 0.00 2.50
assign ((segid B and resid 64 and name HA )) ((segid B and resid 67 and name HN )) 1.80 0.00 3.05
assign ((segid B and resid 64 and name HA )) ((segid B and resid 68 and name HN )) 1.80 0.00 3.42
assign ((segid B and resid 64 and name HB* )) ((segid B and resid 65 and name HN )) 1.80 0.00 2.18
assign ((segid B and resid 64 and name HD* )) ((segid B and resid 64 and name HZ )) 1.80 0.00 2.60
assign ((segid B and resid 64 and name HD* )) ((segid B and resid 65 and name HN )) 1.80 0.00 3.44
assign ((segid B and resid 64 and name HD* )) ((segid B and resid 67 and name HE* )) 1.80 0.00 1.33
assign ((segid B and resid 64 and name HD* )) ((segid B and resid 68 and name HG2* )) 1.80 0.00 2.90
assign ((segid B and resid 64 and name HE* )) ((segid B and resid 67 and name HE* )) 1.80 0.00 1.37
assign ((segid B and resid 64 and name HN )) ((segid B and resid 64 and name HB* )) 1.80 0.00 1.96
assign ((segid B and resid 64 and name HN )) ((segid B and resid 64 and name HD* )) 1.80 0.00 3.22
assign ((segid B and resid 64 and name HN )) ((segid B and resid 65 and name HN )) 1.80 0.00 2.20
assign ((segid B and resid 65 and name HA )) ((segid B and resid 65 and name HE21 )) 1.80 0.00 3.02
assign ((segid B and resid 65 and name HA )) ((segid B and resid 65 and name HE22 )) 1.80 0.00 3.06
assign ((segid B and resid 65 and name HA )) ((segid B and resid 65 and name HG1 )) 1.80 0.00 2.38
assign ((segid B and resid 65 and name HA )) ((segid B and resid 65 and name HG2 )) 1.80 0.00 2.38
assign ((segid B and resid 65 and name HA )) ((segid B and resid 66 and name HN )) 1.80 0.00 1.80
assign ((segid B and resid 65 and name HA )) ((segid B and resid 68 and name HB )) 1.80 0.00 2.26
assign ((segid B and resid 65 and name HA )) ((segid B and resid 68 and name HG1* )) 1.80 0.00 2.43
assign ((segid B and resid 65 and name HA )) ((segid B and resid 68 and name HG2* )) 1.80 0.00 1.93
assign ((segid B and resid 65 and name HA )) ((segid B and resid 68 and name HN )) 1.80 0.00 2.50
assign ((segid B and resid 65 and name HA )) ((segid B and resid 69 and name HN )) 1.80 0.00 2.97
assign ((segid B and resid 65 and name HB* )) ((segid B and resid 65 and name HE21 )) 1.80 0.00 2.99
assign ((segid B and resid 65 and name HB* )) ((segid B and resid 66 and name HN )) 1.80 0.00 1.96
assign ((segid B and resid 65 and name HE21 )) ((segid B and resid 68 and name HB )) 1.80 0.00 2.95
assign ((segid B and resid 65 and name HE21 )) ((segid B and resid 68 and name HG1* )) 1.80 0.00 3.33
assign ((segid B and resid 65 and name HE22 )) ((segid B and resid 68 and name HB )) 1.80 0.00 3.14
assign ((segid B and resid 65 and name HE22 )) ((segid B and resid 68 and name HG1* )) 1.80 0.00 2.47
assign ((segid B and resid 65 and name HG1 )) ((segid B and resid 65 and name HE21 )) 1.80 0.00 1.75
assign ((segid B and resid 65 and name HG1 )) ((segid B and resid 66 and name HN )) 1.80 0.00 3.62
assign ((segid B and resid 65 and name HG2 )) ((segid B and resid 65 and name HE21 )) 1.80 0.00 1.75
assign ((segid B and resid 65 and name HG2 )) ((segid B and resid 66 and name HN )) 1.80 0.00 3.62
assign ((segid B and resid 65 and name HN )) ((segid B and resid 65 and name HB1 )) 1.80 0.00 1.83
assign ((segid B and resid 65 and name HN )) ((segid B and resid 65 and name HB2 )) 1.80 0.00 1.83
assign ((segid B and resid 65 and name HN )) ((segid B and resid 65 and name HG* )) 1.80 0.00 3.08
assign ((segid B and resid 65 and name HN )) ((segid B and resid 66 and name HN )) 1.80 0.00 1.92
assign ((segid B and resid 66 and name HA )) ((segid B and resid 66 and name HG2* )) 1.80 0.00 1.51
assign ((segid B and resid 66 and name HA )) ((segid B and resid 67 and name HN )) 1.80 0.00 1.80
assign ((segid B and resid 66 and name HA )) ((segid B and resid 69 and name HB* )) 1.80 0.00 2.80
assign ((segid B and resid 66 and name HA )) ((segid B and resid 69 and name HN )) 1.80 0.00 2.72
assign ((segid B and resid 66 and name HA )) ((segid B and resid 70 and name HN )) 1.80 0.00 3.00
assign ((segid B and resid 66 and name HB )) ((segid B and resid 67 and name HN )) 1.80 0.00 2.53
assign ((segid B and resid 66 and name HG2* )) ((segid B and resid 67 and name HN )) 1.80 0.00 2.14
assign ((segid B and resid 66 and name HN )) ((segid B and resid 66 and name HB )) 1.80 0.00 1.93
assign ((segid B and resid 66 and name HN )) ((segid B and resid 66 and name HG2* )) 1.80 0.00 2.35
assign ((segid B and resid 66 and name HN )) ((segid B and resid 67 and name HN )) 1.80 0.00 1.96
assign ((segid B and resid 67 and name HA )) ((segid B and resid 68 and name HN )) 1.80 0.00 1.80
assign ((segid B and resid 67 and name HA )) ((segid B and resid 70 and name HB* )) 1.80 0.00 1.97
assign ((segid B and resid 67 and name HA )) ((segid B and resid 70 and name HN )) 1.80 0.00 2.46
assign ((segid B and resid 67 and name HA )) ((segid B and resid 71 and name HN )) 1.80 0.00 2.48
assign ((segid B and resid 67 and name HB* )) ((segid B and resid 68 and name HN )) 1.80 0.00 2.69
assign ((segid B and resid 67 and name HE* )) ((segid B and resid 68 and name HG2* )) 1.80 0.00 1.60
assign ((segid B and resid 67 and name HE* )) ((segid B and resid 68 and name HN )) 1.80 0.00 2.38
assign ((segid B and resid 67 and name HG1 )) ((segid B and resid 68 and name HN )) 1.80 0.00 3.35
assign ((segid B and resid 67 and name HG2 )) ((segid B and resid 68 and name HN )) 1.80 0.00 3.35
assign ((segid B and resid 67 and name HN )) ((segid B and resid 67 and name HB* )) 1.80 0.00 1.98
assign ((segid B and resid 67 and name HN )) ((segid B and resid 67 and name HG1 )) 1.80 0.00 3.03
assign ((segid B and resid 67 and name HN )) ((segid B and resid 67 and name HG2 )) 1.80 0.00 3.03
assign ((segid B and resid 67 and name HN )) ((segid B and resid 68 and name HN )) 1.80 0.00 2.05
assign ((segid B and resid 68 and name HA )) ((segid B and resid 68 and name HG1* )) 1.80 0.00 1.48
assign ((segid B and resid 68 and name HA )) ((segid B and resid 68 and name HG2* )) 1.80 0.00 1.50
assign ((segid B and resid 68 and name HA )) ((segid B and resid 69 and name HN )) 1.80 0.00 1.80
assign ((segid B and resid 68 and name HA )) ((segid B and resid 71 and name HB* )) 1.80 0.00 2.94
assign ((segid B and resid 68 and name HA )) ((segid B and resid 71 and name HN )) 1.80 0.00 2.71
assign ((segid B and resid 68 and name HA )) ((segid B and resid 72 and name HN )) 1.80 0.00 3.37
assign ((segid B and resid 68 and name HB )) ((segid B and resid 69 and name HN )) 1.80 0.00 1.84
assign ((segid B and resid 68 and name HG1* )) ((segid B and resid 69 and name HN )) 1.80 0.00 1.98
assign ((segid B and resid 68 and name HG2* )) ((segid B and resid 69 and name HN )) 1.80 0.00 2.45
assign ((segid B and resid 68 and name HN )) ((segid B and resid 68 and name HB )) 1.80 0.00 1.89
assign ((segid B and resid 68 and name HN )) ((segid B and resid 68 and name HG1* )) 1.80 0.00 2.50
assign ((segid B and resid 68 and name HN )) ((segid B and resid 68 and name HG2* )) 1.80 0.00 1.41
assign ((segid B and resid 68 and name HN )) ((segid B and resid 69 and name HN )) 1.80 0.00 1.81
assign ((segid B and resid 69 and name HA )) ((segid B and resid 70 and name HN )) 1.80 0.00 2.00
assign ((segid B and resid 69 and name HA )) ((segid B and resid 72 and name HB* )) 1.80 0.00 2.40
assign ((segid B and resid 69 and name HA )) ((segid B and resid 72 and name HN )) 1.80 0.00 2.91
assign ((segid B and resid 69 and name HB1 )) ((segid B and resid 70 and name HN )) 1.80 0.00 2.50
assign ((segid B and resid 69 and name HB2 )) ((segid B and resid 70 and name HN )) 1.80 0.00 2.15
assign ((segid B and resid 69 and name HN )) ((segid B and resid 69 and name HB* )) 1.80 0.00 1.33
assign ((segid B and resid 69 and name HN )) ((segid B and resid 70 and name HN )) 1.80 0.00 1.64
assign ((segid B and resid 70 and name HA )) ((segid B and resid 71 and name HN )) 1.80 0.00 2.00
assign ((segid B and resid 70 and name HA )) ((segid B and resid 73 and name HN )) 1.80 0.00 2.60
assign ((segid B and resid 70 and name HB* )) ((segid B and resid 71 and name HN )) 1.80 0.00 1.48
assign ((segid B and resid 70 and name HB* )) ((segid B and resid 73 and name HN )) 1.80 0.00 3.27
assign ((segid B and resid 70 and name HN )) ((segid B and resid 70 and name HB* )) 1.80 0.00 1.50
assign ((segid B and resid 70 and name HN )) ((segid B and resid 71 and name HN )) 1.80 0.00 1.46
assign ((segid B and resid 71 and name HA )) ((segid B and resid 71 and name HD* )) 1.80 0.00 1.70
assign ((segid B and resid 71 and name HA )) ((segid B and resid 72 and name HN )) 1.80 0.00 1.80
assign ((segid B and resid 71 and name HA )) ((segid B and resid 75 and name HB* )) 1.80 0.00 3.19
assign ((segid B and resid 71 and name HB1 )) ((segid B and resid 72 and name HN )) 1.80 0.00 2.57
assign ((segid B and resid 71 and name HB2 )) ((segid B and resid 72 and name HN )) 1.80 0.00 2.57
assign ((segid B and resid 71 and name HD* )) ((segid B and resid 72 and name HN )) 1.80 0.00 3.05
assign ((segid B and resid 71 and name HD* )) ((segid B and resid 75 and name HB* )) 1.80 0.00 3.08
assign ((segid B and resid 71 and name HN )) ((segid B and resid 71 and name HD* )) 1.80 0.00 1.96
assign ((segid B and resid 71 and name HN )) ((segid B and resid 72 and name HN )) 1.80 0.00 1.67
assign ((segid B and resid 72 and name HA )) ((segid B and resid 72 and name HG1 )) 1.80 0.00 2.68
assign ((segid B and resid 72 and name HA )) ((segid B and resid 72 and name HG2 )) 1.80 0.00 2.68
assign ((segid B and resid 72 and name HA )) ((segid B and resid 73 and name HN )) 1.80 0.00 2.06
assign ((segid B and resid 72 and name HB* )) ((segid B and resid 72 and name HD* )) 1.80 0.00 1.47
assign ((segid B and resid 72 and name HB* )) ((segid B and resid 72 and name HE* )) 1.80 0.00 3.27
assign ((segid B and resid 72 and name HB* )) ((segid B and resid 73 and name HN )) 1.80 0.00 2.59
assign ((segid B and resid 72 and name HD* )) ((segid B and resid 73 and name HN )) 1.80 0.00 3.26
assign ((segid B and resid 72 and name HG1 )) ((segid B and resid 72 and name HE* )) 1.80 0.00 1.97
assign ((segid B and resid 72 and name HG1 )) ((segid B and resid 73 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 72 and name HG2 )) ((segid B and resid 72 and name HE* )) 1.80 0.00 1.97
assign ((segid B and resid 72 and name HG2 )) ((segid B and resid 73 and name HN )) 1.80 0.00 2.43
assign ((segid B and resid 72 and name HN )) ((segid B and resid 72 and name HB* )) 1.80 0.00 1.58
assign ((segid B and resid 72 and name HN )) ((segid B and resid 72 and name HD* )) 1.80 0.00 3.26
assign ((segid B and resid 72 and name HN )) ((segid B and resid 73 and name HN )) 1.80 0.00 1.35
assign ((segid B and resid 73 and name HA* )) ((segid B and resid 74 and name HN )) 1.80 0.00 1.50
assign ((segid B and resid 73 and name HN )) ((segid B and resid 74 and name HN )) 1.80 0.00 1.80
assign ((segid B and resid 74 and name HA )) ((segid B and resid 75 and name HN )) 1.80 0.00 1.80
assign ((segid B and resid 74 and name HB1 )) ((segid B and resid 75 and name HN )) 1.80 0.00 2.68
assign ((segid B and resid 74 and name HB2 )) ((segid B and resid 75 and name HN )) 1.80 0.00 2.68
assign ((segid B and resid 75 and name HA )) ((segid B and resid 75 and name HD1* )) 1.80 0.00 1.93
assign ((segid B and resid 75 and name HA )) ((segid B and resid 75 and name HD2* )) 1.80 0.00 2.10
assign ((segid B and resid 75 and name HB* )) ((segid B and resid 75 and name HD1* )) 1.80 0.00 1.50
assign ((segid B and resid 75 and name HB* )) ((segid B and resid 75 and name HD2* )) 1.80 0.00 1.50
assign ((segid B and resid 75 and name HD2* )) ((segid B and resid 76 and name HN )) 1.80 0.00 3.80
assign ((segid B and resid 75 and name HN )) ((segid B and resid 75 and name HB* )) 1.80 0.00 1.50
assign ((segid B and resid 75 and name HN )) ((segid B and resid 75 and name HD1* )) 1.80 0.00 2.65
assign ((segid B and resid 76 and name HA )) ((segid B and resid 77 and name HN )) 1.80 0.00 1.80
assign ((segid B and resid 76 and name HB* )) ((segid B and resid 77 and name HN )) 1.80 0.00 2.50
assign ((segid B and resid 76 and name HG* )) ((segid B and resid 77 and name HN )) 1.80 0.00 3.00
assign ((segid B and resid 76 and name HN )) ((segid B and resid 76 and name HB* )) 1.80 0.00 2.00
assign ((segid B and resid 76 and name HN )) ((segid B and resid 76 and name HG* )) 1.80 0.00 2.80
assign ((segid B and resid 77 and name HA )) ((segid B and resid 78 and name HN )) 1.80 0.00 1.74
assign ((segid B and resid 77 and name HB* )) ((segid B and resid 77 and name HD* )) 1.80 0.00 1.80
assign ((segid B and resid 77 and name HB* )) ((segid B and resid 78 and name HN )) 1.80 0.00 2.48
assign ((segid B and resid 77 and name HN )) ((segid B and resid 77 and name HB* )) 1.80 0.00 1.43
assign ((segid B and resid 78 and name HA )) ((segid B and resid 79 and name HN )) 1.80 0.00 1.80
assign ((segid B and resid 78 and name HB* )) ((segid B and resid 79 and name HN )) 1.80 0.00 2.45
assign ((segid B and resid 78 and name HN )) ((segid B and resid 78 and name HB* )) 1.80 0.00 1.50
assign ((segid B and resid 79 and name HA )) ((segid B and resid 80 and name HN )) 1.80 0.00 1.80
assign ((segid B and resid 79 and name HB* )) ((segid B and resid 80 and name HN )) 1.80 0.00 2.46
assign ((segid B and resid 79 and name HN )) ((segid B and resid 79 and name HB* )) 1.80 0.00 2.04
assign ((segid B and resid 80 and name HA )) ((segid B and resid 81 and name HN )) 1.80 0.00 1.80
assign ((segid B and resid 80 and name HN )) ((segid B and resid 80 and name HB* )) 1.80 0.00 2.07
assign ((segid B and resid 81 and name HA )) ((segid B and resid 82 and name HN )) 1.80 0.00 1.80
assign ((segid B and resid 81 and name HB* )) ((segid B and resid 82 and name HN )) 1.80 0.00 2.30
assign ((segid B and resid 81 and name HN )) ((segid B and resid 81 and name HB* )) 1.80 0.00 1.49
assign ((segid B and resid 82 and name HN )) ((segid B and resid 82 and name HB* )) 1.80 0.00 1.60
assign ((segid A and resid 15 and name HB* )) ((segid B and resid 71 and name HD* )) 1.80 0.00 3.18
assign ((segid A and resid 15 and name HD1* )) ((segid B and resid 71 and name HE* )) 1.80 0.00 1.57
assign ((segid A and resid 15 and name HD1* )) ((segid B and resid 71 and name HZ )) 1.80 0.00 2.97
assign ((segid A and resid 15 and name HD2* )) ((segid B and resid 71 and name HD* )) 1.80 0.00 3.80
assign ((segid A and resid 15 and name HD2* )) ((segid B and resid 71 and name HE* )) 1.80 0.00 2.14
assign ((segid A and resid 16 and name HB* )) ((segid B and resid 70 and name HB* )) 1.80 0.00 2.59
assign ((segid A and resid 16 and name HD1* )) ((segid B and resid 66 and name HG2* )) 1.80 0.00 1.69
assign ((segid A and resid 16 and name HD1* )) ((segid B and resid 67 and name HA )) 1.80 0.00 2.46
assign ((segid A and resid 16 and name HD1* )) ((segid B and resid 67 and name HN )) 1.80 0.00 2.83
assign ((segid A and resid 16 and name HD1* )) ((segid B and resid 70 and name HA )) 1.80 0.00 3.26
assign ((segid A and resid 16 and name HD1* )) ((segid B and resid 70 and name HB* )) 1.80 0.00 1.27
assign ((segid A and resid 16 and name HD1* )) ((segid B and resid 70 and name HN )) 1.80 0.00 2.92
assign ((segid A and resid 16 and name HD1* )) ((segid B and resid 71 and name HE* )) 1.80 0.00 3.18
assign ((segid A and resid 16 and name HD1* )) ((segid B and resid 71 and name HN )) 1.80 0.00 2.88
assign ((segid A and resid 16 and name HD1* )) ((segid B and resid 71 and name HZ )) 1.80 0.00 3.68
assign ((segid A and resid 16 and name HD2* )) ((segid B and resid 66 and name HG2* )) 1.80 0.00 3.09
assign ((segid A and resid 16 and name HD2* )) ((segid B and resid 67 and name HA )) 1.80 0.00 2.10
assign ((segid A and resid 16 and name HD2* )) ((segid B and resid 67 and name HN )) 1.80 0.00 4.00
assign ((segid A and resid 16 and name HD2* )) ((segid B and resid 70 and name HA )) 1.80 0.00 3.53
assign ((segid A and resid 16 and name HD2* )) ((segid B and resid 70 and name HB* )) 1.80 0.00 1.33
assign ((segid A and resid 16 and name HD2* )) ((segid B and resid 70 and name HN )) 1.80 0.00 2.90
assign ((segid A and resid 16 and name HD2* )) ((segid B and resid 71 and name HE* )) 1.80 0.00 3.23
assign ((segid A and resid 16 and name HD2* )) ((segid B and resid 71 and name HN )) 1.80 0.00 3.36
assign ((segid A and resid 16 and name HG )) ((segid B and resid 71 and name HE* )) 1.80 0.00 3.06
assign ((segid A and resid 18 and name HA )) ((segid B and resid 66 and name HG2* )) 1.80 0.00 1.69
assign ((segid A and resid 18 and name HB* )) ((segid B and resid 63 and name HA )) 1.80 0.00 3.13
assign ((segid A and resid 18 and name HD1* )) ((segid B and resid 63 and name HA )) 1.80 0.00 2.90
assign ((segid A and resid 18 and name HD1* )) ((segid B and resid 63 and name HB* )) 1.80 0.00 2.08
assign ((segid A and resid 18 and name HD1* )) ((segid B and resid 64 and name HA )) 1.80 0.00 3.61
assign ((segid A and resid 18 and name HD1* )) ((segid B and resid 66 and name HG2* )) 1.80 0.00 2.95
assign ((segid A and resid 18 and name HD1* )) ((segid B and resid 67 and name HE* )) 1.80 0.00 3.30
assign ((segid A and resid 18 and name HD1* )) ((segid B and resid 67 and name HG1 )) 1.80 0.00 3.73
assign ((segid A and resid 18 and name HD1* )) ((segid B and resid 67 and name HG2 )) 1.80 0.00 3.73
assign ((segid A and resid 18 and name HD1* )) ((segid B and resid 67 and name HN )) 1.80 0.00 3.51
assign ((segid A and resid 18 and name HD2* )) ((segid B and resid 63 and name HA )) 1.80 0.00 3.02
assign ((segid A and resid 18 and name HD2* )) ((segid B and resid 64 and name HA )) 1.80 0.00 4.25
assign ((segid A and resid 18 and name HD2* )) ((segid B and resid 66 and name HA )) 1.80 0.00 3.93
assign ((segid A and resid 18 and name HD2* )) ((segid B and resid 66 and name HB )) 1.80 0.00 1.93
assign ((segid A and resid 18 and name HD2* )) ((segid B and resid 66 and name HG2* )) 1.80 0.00 1.32
assign ((segid A and resid 18 and name HD2* )) ((segid B and resid 66 and name HN )) 1.80 0.00 3.68
assign ((segid A and resid 18 and name HD2* )) ((segid B and resid 67 and name HA )) 1.80 0.00 2.01
assign ((segid A and resid 18 and name HD2* )) ((segid B and resid 67 and name HB* )) 1.80 0.00 2.67
assign ((segid A and resid 18 and name HD2* )) ((segid B and resid 67 and name HG1 )) 1.80 0.00 3.37
assign ((segid A and resid 18 and name HD2* )) ((segid B and resid 67 and name HG2 )) 1.80 0.00 3.37
assign ((segid A and resid 18 and name HD2* )) ((segid B and resid 67 and name HN )) 1.80 0.00 1.87
assign ((segid A and resid 18 and name HD2* )) ((segid B and resid 68 and name HN )) 1.80 0.00 3.72
assign ((segid A and resid 18 and name HG )) ((segid B and resid 66 and name HG2* )) 1.80 0.00 3.56
assign ((segid A and resid 27 and name HA )) ((segid B and resid 57 and name HD1* )) 1.80 0.00 3.83
assign ((segid A and resid 27 and name HD* )) ((segid B and resid 57 and name HD1* )) 1.80 0.00 1.43
assign ((segid A and resid 27 and name HD* )) ((segid B and resid 57 and name HG1* )) 1.80 0.00 2.01
assign ((segid A and resid 27 and name HE* )) ((segid B and resid 57 and name HD1* )) 1.80 0.00 2.04
assign ((segid A and resid 27 and name HE* )) ((segid B and resid 59 and name HA )) 1.80 0.00 3.45
assign ((segid A and resid 27 and name HE* )) ((segid B and resid 59 and name HD2* )) 1.80 0.00 2.01
assign ((segid A and resid 27 and name HG* )) ((segid B and resid 57 and name HD1* )) 1.80 0.00 2.45
assign ((segid A and resid 27 and name HG* )) ((segid B and resid 57 and name HG2* )) 1.80 0.00 4.07
assign ((segid A and resid 27 and name HG* )) ((segid B and resid 59 and name HD1* )) 1.80 0.00 4.07
assign ((segid A and resid 27 and name HG* )) ((segid B and resid 59 and name HD2* )) 1.80 0.00 4.05
assign ((segid A and resid 29 and name HD1* )) ((segid B and resid 67 and name HA )) 1.80 0.00 2.61
assign ((segid A and resid 29 and name HD1* )) ((segid B and resid 67 and name HB* )) 1.80 0.00 3.23
assign ((segid A and resid 29 and name HD1* )) ((segid B and resid 67 and name HG1 )) 1.80 0.00 3.70
assign ((segid A and resid 29 and name HD1* )) ((segid B and resid 67 and name HG2 )) 1.80 0.00 3.70
assign ((segid A and resid 29 and name HD1* )) ((segid B and resid 71 and name HD* )) 1.80 0.00 3.15
assign ((segid A and resid 29 and name HD1* )) ((segid B and resid 71 and name HE* )) 1.80 0.00 2.08
assign ((segid A and resid 29 and name HD1* )) ((segid B and resid 71 and name HZ )) 1.80 0.00 2.13
assign ((segid A and resid 29 and name HG2* )) ((segid B and resid 71 and name HE* )) 1.80 0.00 2.31
assign ((segid A and resid 29 and name HG2* )) ((segid B and resid 71 and name HZ )) 1.80 0.00 2.90
assign ((segid A and resid 41 and name HD* )) ((segid B and resid 75 and name HD2* )) 1.80 0.00 3.20
assign ((segid A and resid 43 and name HB )) ((segid B and resid 57 and name HD1* )) 1.80 0.00 2.89
assign ((segid A and resid 44 and name HA )) ((segid B and resid 57 and name HD1* )) 1.80 0.00 1.79
assign ((segid A and resid 45 and name HB* )) ((segid B and resid 57 and name HD1* )) 1.80 0.00 2.59
assign ((segid A and resid 45 and name HN )) ((segid B and resid 57 and name HD1* )) 1.80 0.00 3.08
assign ((segid A and resid 55 and name HB* )) ((segid B and resid 57 and name HD1* )) 1.80 0.00 2.96
assign ((segid A and resid 56 and name HA* )) ((segid B and resid 57 and name HG11 )) 1.80 0.00 4.25
assign ((segid A and resid 56 and name HA* )) ((segid B and resid 57 and name HG12 )) 1.80 0.00 4.25
assign ((segid A and resid 56 and name HA* )) ((segid B and resid 57 and name HG2* )) 1.80 0.00 3.30
assign ((segid A and resid 56 and name HA1 )) ((segid B and resid 57 and name HB )) 1.80 0.00 4.25
assign ((segid A and resid 56 and name HA1 )) ((segid B and resid 57 and name HD1* )) 1.80 0.00 2.85
assign ((segid A and resid 56 and name HA2 )) ((segid B and resid 57 and name HB )) 1.80 0.00 4.25
assign ((segid A and resid 56 and name HA2 )) ((segid B and resid 57 and name HD1* )) 1.80 0.00 2.85
assign ((segid A and resid 56 and name HN )) ((segid B and resid 57 and name HB )) 1.80 0.00 4.25
assign ((segid A and resid 56 and name HN )) ((segid B and resid 57 and name HD1* )) 1.80 0.00 3.06
assign ((segid A and resid 57 and name HB )) ((segid B and resid 56 and name HA1 )) 1.80 0.00 4.25
assign ((segid A and resid 57 and name HB )) ((segid B and resid 56 and name HA2 )) 1.80 0.00 4.25
assign ((segid A and resid 57 and name HB )) ((segid B and resid 56 and name HN )) 1.80 0.00 4.25
assign ((segid A and resid 57 and name HD1* )) ((segid B and resid 27 and name HA )) 1.80 0.00 3.83
assign ((segid A and resid 57 and name HD1* )) ((segid B and resid 27 and name HD* )) 1.80 0.00 1.43
assign ((segid A and resid 57 and name HD1* )) ((segid B and resid 27 and name HE* )) 1.80 0.00 2.04
assign ((segid A and resid 57 and name HD1* )) ((segid B and resid 27 and name HG* )) 1.80 0.00 2.45
assign ((segid A and resid 57 and name HD1* )) ((segid B and resid 43 and name HB )) 1.80 0.00 2.89
assign ((segid A and resid 57 and name HD1* )) ((segid B and resid 44 and name HA )) 1.80 0.00 1.79
assign ((segid A and resid 57 and name HD1* )) ((segid B and resid 45 and name HB* )) 1.80 0.00 2.59
assign ((segid A and resid 57 and name HD1* )) ((segid B and resid 45 and name HN )) 1.80 0.00 3.08
assign ((segid A and resid 57 and name HD1* )) ((segid B and resid 55 and name HB* )) 1.80 0.00 2.96
assign ((segid A and resid 57 and name HD1* )) ((segid B and resid 56 and name HA1 )) 1.80 0.00 2.85
assign ((segid A and resid 57 and name HD1* )) ((segid B and resid 56 and name HA2 )) 1.80 0.00 2.85
assign ((segid A and resid 57 and name HD1* )) ((segid B and resid 56 and name HN )) 1.80 0.00 3.06
assign ((segid A and resid 57 and name HD1* )) ((segid B and resid 57 and name HN )) 1.80 0.00 4.25
assign ((segid A and resid 57 and name HG1* )) ((segid B and resid 27 and name HD* )) 1.80 0.00 2.01
assign ((segid A and resid 57 and name HG11 )) ((segid B and resid 56 and name HA* )) 1.80 0.00 4.25
assign ((segid A and resid 57 and name HG12 )) ((segid B and resid 56 and name HA* )) 1.80 0.00 4.25
assign ((segid A and resid 57 and name HG2* )) ((segid B and resid 27 and name HG* )) 1.80 0.00 4.07
assign ((segid A and resid 57 and name HG2* )) ((segid B and resid 56 and name HA* )) 1.80 0.00 3.30
assign ((segid A and resid 57 and name HN )) ((segid B and resid 57 and name HD1* )) 1.80 0.00 4.25
assign ((segid A and resid 59 and name HA )) ((segid B and resid 27 and name HE* )) 1.80 0.00 3.45
assign ((segid A and resid 59 and name HD1* )) ((segid B and resid 27 and name HG* )) 1.80 0.00 4.07
assign ((segid A and resid 59 and name HD2* )) ((segid B and resid 27 and name HE* )) 1.80 0.00 2.01
assign ((segid A and resid 59 and name HD2* )) ((segid B and resid 27 and name HG* )) 1.80 0.00 4.05
assign ((segid A and resid 61 and name HA )) ((segid B and resid 75 and name HD2* )) 1.80 0.00 3.77
assign ((segid A and resid 63 and name HA )) ((segid B and resid 18 and name HB* )) 1.80 0.00 3.13
assign ((segid A and resid 63 and name HA )) ((segid B and resid 18 and name HD1* )) 1.80 0.00 2.90
assign ((segid A and resid 63 and name HA )) ((segid B and resid 18 and name HD2* )) 1.80 0.00 3.02
assign ((segid A and resid 63 and name HB* )) ((segid B and resid 18 and name HD1* )) 1.80 0.00 2.08
assign ((segid A and resid 64 and name HA )) ((segid B and resid 18 and name HD1* )) 1.80 0.00 3.61
assign ((segid A and resid 64 and name HA )) ((segid B and resid 18 and name HD2* )) 1.80 0.00 4.25
assign ((segid A and resid 64 and name HA )) ((segid B and resid 75 and name HD2* )) 1.80 0.00 3.24
assign ((segid A and resid 64 and name HE* )) ((segid B and resid 71 and name HZ )) 1.80 0.00 2.42
assign ((segid A and resid 64 and name HN )) ((segid B and resid 75 and name HD2* )) 1.80 0.00 4.03
assign ((segid A and resid 64 and name HZ )) ((segid B and resid 71 and name HE* )) 1.80 0.00 2.09
assign ((segid A and resid 65 and name HA )) ((segid B and resid 75 and name HD1* )) 1.80 0.00 2.77
assign ((segid A and resid 65 and name HE22 )) ((segid B and resid 76 and name HB* )) 1.80 0.00 3.78
assign ((segid A and resid 65 and name HE22 )) ((segid B and resid 77 and name HN )) 1.80 0.00 3.77
assign ((segid A and resid 65 and name HN )) ((segid B and resid 75 and name HD2* )) 1.80 0.00 2.04
assign ((segid A and resid 66 and name HA )) ((segid B and resid 18 and name HD2* )) 1.80 0.00 3.93
assign ((segid A and resid 66 and name HB )) ((segid B and resid 18 and name HD2* )) 1.80 0.00 1.93
assign ((segid A and resid 66 and name HG2* )) ((segid B and resid 16 and name HD1* )) 1.80 0.00 1.69
assign ((segid A and resid 66 and name HG2* )) ((segid B and resid 16 and name HD2* )) 1.80 0.00 3.09
assign ((segid A and resid 66 and name HG2* )) ((segid B and resid 18 and name HA )) 1.80 0.00 1.69
assign ((segid A and resid 66 and name HG2* )) ((segid B and resid 18 and name HD1* )) 1.80 0.00 2.95
assign ((segid A and resid 66 and name HG2* )) ((segid B and resid 18 and name HD2* )) 1.80 0.00 1.32
assign ((segid A and resid 66 and name HG2* )) ((segid B and resid 18 and name HG )) 1.80 0.00 3.56
assign ((segid A and resid 66 and name HN )) ((segid B and resid 18 and name HD2* )) 1.80 0.00 3.68
assign ((segid A and resid 67 and name HA )) ((segid B and resid 16 and name HD1* )) 1.80 0.00 2.46
assign ((segid A and resid 67 and name HA )) ((segid B and resid 16 and name HD2* )) 1.80 0.00 2.10
assign ((segid A and resid 67 and name HA )) ((segid B and resid 18 and name HD2* )) 1.80 0.00 2.01
assign ((segid A and resid 67 and name HA )) ((segid B and resid 29 and name HD1* )) 1.80 0.00 2.61
assign ((segid A and resid 67 and name HB* )) ((segid B and resid 18 and name HD2* )) 1.80 0.00 2.67
assign ((segid A and resid 67 and name HB* )) ((segid B and resid 29 and name HD1* )) 1.80 0.00 3.23
assign ((segid A and resid 67 and name HE* )) ((segid B and resid 18 and name HD1* )) 1.80 0.00 3.30
assign ((segid A and resid 67 and name HE* )) ((segid B and resid 71 and name HB* )) 1.80 0.00 1.97
assign ((segid A and resid 67 and name HE* )) ((segid B and resid 71 and name HD* )) 1.80 0.00 3.01
assign ((segid A and resid 67 and name HE* )) ((segid B and resid 71 and name HE* )) 1.80 0.00 2.59
assign ((segid A and resid 67 and name HE* )) ((segid B and resid 71 and name HZ )) 1.80 0.00 2.14
assign ((segid A and resid 67 and name HE* )) ((segid B and resid 75 and name HD2* )) 1.80 0.00 2.40
assign ((segid A and resid 67 and name HG* )) ((segid B and resid 75 and name HD2* )) 1.80 0.00 3.92
assign ((segid A and resid 67 and name HG1 )) ((segid B and resid 18 and name HD1* )) 1.80 0.00 3.73
assign ((segid A and resid 67 and name HG1 )) ((segid B and resid 18 and name HD2* )) 1.80 0.00 3.37
assign ((segid A and resid 67 and name HG1 )) ((segid B and resid 29 and name HD1* )) 1.80 0.00 3.70
assign ((segid A and resid 67 and name HG2 )) ((segid B and resid 18 and name HD1* )) 1.80 0.00 3.73
assign ((segid A and resid 67 and name HG2 )) ((segid B and resid 18 and name HD2* )) 1.80 0.00 3.37
assign ((segid A and resid 67 and name HG2 )) ((segid B and resid 29 and name HD1* )) 1.80 0.00 3.70
assign ((segid A and resid 67 and name HN )) ((segid B and resid 16 and name HD1* )) 1.80 0.00 2.83
assign ((segid A and resid 67 and name HN )) ((segid B and resid 16 and name HD2* )) 1.80 0.00 4.00
assign ((segid A and resid 67 and name HN )) ((segid B and resid 18 and name HD1* )) 1.80 0.00 3.51
assign ((segid A and resid 67 and name HN )) ((segid B and resid 18 and name HD2* )) 1.80 0.00 1.87
assign ((segid A and resid 68 and name HA )) ((segid B and resid 71 and name HA )) 1.80 0.00 4.25
assign ((segid A and resid 68 and name HA )) ((segid B and resid 71 and name HB* )) 1.80 0.00 2.55
assign ((segid A and resid 68 and name HG1* )) ((segid B and resid 71 and name HA )) 1.80 0.00 3.01
assign ((segid A and resid 68 and name HG1* )) ((segid B and resid 71 and name HB1 )) 1.80 0.00 3.26
assign ((segid A and resid 68 and name HG1* )) ((segid B and resid 71 and name HB2 )) 1.80 0.00 3.26
assign ((segid A and resid 68 and name HG1* )) ((segid B and resid 71 and name HD* )) 1.80 0.00 3.26
assign ((segid A and resid 68 and name HG1* )) ((segid B and resid 72 and name HA )) 1.80 0.00 3.45
assign ((segid A and resid 68 and name HG1* )) ((segid B and resid 72 and name HB* )) 1.80 0.00 3.47
assign ((segid A and resid 68 and name HG1* )) ((segid B and resid 72 and name HG* )) 1.80 0.00 4.25
assign ((segid A and resid 68 and name HG1* )) ((segid B and resid 72 and name HN )) 1.80 0.00 3.71
assign ((segid A and resid 68 and name HG1* )) ((segid B and resid 73 and name HN )) 1.80 0.00 3.40
assign ((segid A and resid 68 and name HG1* )) ((segid B and resid 74 and name HN )) 1.80 0.00 3.71
assign ((segid A and resid 68 and name HG1* )) ((segid B and resid 75 and name HD1* )) 1.80 0.00 2.57
assign ((segid A and resid 68 and name HG1* )) ((segid B and resid 75 and name HD2* )) 1.80 0.00 2.67
assign ((segid A and resid 68 and name HG1* )) ((segid B and resid 76 and name HB* )) 1.80 0.00 2.49
assign ((segid A and resid 68 and name HG2* )) ((segid B and resid 71 and name HB1 )) 1.80 0.00 2.94
assign ((segid A and resid 68 and name HG2* )) ((segid B and resid 71 and name HB2 )) 1.80 0.00 2.94
assign ((segid A and resid 68 and name HG2* )) ((segid B and resid 71 and name HD* )) 1.80 0.00 2.29
assign ((segid A and resid 68 and name HG2* )) ((segid B and resid 71 and name HE* )) 1.80 0.00 3.15
assign ((segid A and resid 68 and name HG2* )) ((segid B and resid 71 and name HN )) 1.80 0.00 3.59
assign ((segid A and resid 68 and name HG2* )) ((segid B and resid 75 and name HB* )) 1.80 0.00 3.01
assign ((segid A and resid 68 and name HG2* )) ((segid B and resid 75 and name HD1* )) 1.80 0.00 2.50
assign ((segid A and resid 68 and name HG2* )) ((segid B and resid 75 and name HD2* )) 1.80 0.00 2.72
assign ((segid A and resid 68 and name HN )) ((segid B and resid 18 and name HD2* )) 1.80 0.00 3.72
assign ((segid A and resid 68 and name HN )) ((segid B and resid 75 and name HD2* )) 1.80 0.00 4.25
assign ((segid A and resid 69 and name HN )) ((segid B and resid 76 and name HB* )) 1.80 0.00 4.25
assign ((segid A and resid 70 and name HA )) ((segid B and resid 16 and name HD1* )) 1.80 0.00 3.26
assign ((segid A and resid 70 and name HA )) ((segid B and resid 16 and name HD2* )) 1.80 0.00 3.53
assign ((segid A and resid 70 and name HB* )) ((segid B and resid 16 and name HB* )) 1.80 0.00 2.59
assign ((segid A and resid 70 and name HB* )) ((segid B and resid 16 and name HD1* )) 1.80 0.00 1.27
assign ((segid A and resid 70 and name HB* )) ((segid B and resid 16 and name HD2* )) 1.80 0.00 1.33
assign ((segid A and resid 70 and name HN )) ((segid B and resid 16 and name HD1* )) 1.80 0.00 2.92
assign ((segid A and resid 70 and name HN )) ((segid B and resid 16 and name HD2* )) 1.80 0.00 2.90
assign ((segid A and resid 71 and name HA )) ((segid B and resid 68 and name HA )) 1.80 0.00 4.25
assign ((segid A and resid 71 and name HA )) ((segid B and resid 68 and name HG1* )) 1.80 0.00 3.01
assign ((segid A and resid 71 and name HB* )) ((segid B and resid 67 and name HE* )) 1.80 0.00 1.97
assign ((segid A and resid 71 and name HB* )) ((segid B and resid 68 and name HA )) 1.80 0.00 2.55
assign ((segid A and resid 71 and name HB1 )) ((segid B and resid 68 and name HG1* )) 1.80 0.00 3.26
assign ((segid A and resid 71 and name HB1 )) ((segid B and resid 68 and name HG2* )) 1.80 0.00 2.94
assign ((segid A and resid 71 and name HB2 )) ((segid B and resid 68 and name HG1* )) 1.80 0.00 3.26
assign ((segid A and resid 71 and name HB2 )) ((segid B and resid 68 and name HG2* )) 1.80 0.00 2.94
assign ((segid A and resid 71 and name HD* )) ((segid B and resid 15 and name HB* )) 1.80 0.00 3.18
assign ((segid A and resid 71 and name HD* )) ((segid B and resid 15 and name HD2* )) 1.80 0.00 3.12
assign ((segid A and resid 71 and name HD* )) ((segid B and resid 29 and name HD1* )) 1.80 0.00 3.15
assign ((segid A and resid 71 and name HD* )) ((segid B and resid 67 and name HE* )) 1.80 0.00 3.01
assign ((segid A and resid 71 and name HD* )) ((segid B and resid 68 and name HG1* )) 1.80 0.00 3.26
assign ((segid A and resid 71 and name HD* )) ((segid B and resid 68 and name HG2* )) 1.80 0.00 2.29
assign ((segid A and resid 71 and name HE* )) ((segid B and resid 15 and name HD1* )) 1.80 0.00 1.57
assign ((segid A and resid 71 and name HE* )) ((segid B and resid 15 and name HD2* )) 1.80 0.00 2.14
assign ((segid A and resid 71 and name HE* )) ((segid B and resid 16 and name HD1* )) 1.80 0.00 3.18
assign ((segid A and resid 71 and name HE* )) ((segid B and resid 16 and name HD2* )) 1.80 0.00 3.23
assign ((segid A and resid 71 and name HE* )) ((segid B and resid 16 and name HG )) 1.80 0.00 3.06
assign ((segid A and resid 71 and name HE* )) ((segid B and resid 29 and name HD1* )) 1.80 0.00 2.08
assign ((segid A and resid 71 and name HE* )) ((segid B and resid 29 and name HG2* )) 1.80 0.00 2.31
assign ((segid A and resid 71 and name HE* )) ((segid B and resid 64 and name HZ )) 1.80 0.00 2.09
assign ((segid A and resid 71 and name HE* )) ((segid B and resid 67 and name HE* )) 1.80 0.00 2.59
assign ((segid A and resid 71 and name HE* )) ((segid B and resid 68 and name HG2* )) 1.80 0.00 3.15
assign ((segid A and resid 71 and name HN )) ((segid B and resid 16 and name HD1* )) 1.80 0.00 2.88
assign ((segid A and resid 71 and name HN )) ((segid B and resid 16 and name HD2* )) 1.80 0.00 3.36
assign ((segid A and resid 71 and name HN )) ((segid B and resid 68 and name HG2* )) 1.80 0.00 3.59
assign ((segid A and resid 71 and name HZ )) ((segid B and resid 15 and name HD1* )) 1.80 0.00 2.97
assign ((segid A and resid 71 and name HZ )) ((segid B and resid 16 and name HD1* )) 1.80 0.00 3.68
assign ((segid A and resid 71 and name HZ )) ((segid B and resid 29 and name HD1* )) 1.80 0.00 2.13
assign ((segid A and resid 71 and name HZ )) ((segid B and resid 29 and name HG2* )) 1.80 0.00 2.90
assign ((segid A and resid 71 and name HZ )) ((segid B and resid 64 and name HE* )) 1.80 0.00 2.42
assign ((segid A and resid 71 and name HZ )) ((segid B and resid 67 and name HE* )) 1.80 0.00 2.14
assign ((segid A and resid 72 and name HA )) ((segid B and resid 68 and name HG1* )) 1.80 0.00 3.45
assign ((segid A and resid 72 and name HA )) ((segid B and resid 72 and name HE* )) 1.80 0.00 2.84
assign ((segid A and resid 72 and name HB* )) ((segid B and resid 68 and name HG1* )) 1.80 0.00 3.47
assign ((segid A and resid 72 and name HB* )) ((segid B and resid 72 and name HE* )) 1.80 0.00 3.13
assign ((segid A and resid 72 and name HE* )) ((segid B and resid 72 and name HA )) 1.80 0.00 2.84
assign ((segid A and resid 72 and name HE* )) ((segid B and resid 72 and name HB* )) 1.80 0.00 3.13
assign ((segid A and resid 72 and name HG* )) ((segid B and resid 68 and name HG1* )) 1.80 0.00 4.25
assign ((segid A and resid 72 and name HN )) ((segid B and resid 68 and name HG1* )) 1.80 0.00 3.71
assign ((segid A and resid 73 and name HN )) ((segid B and resid 68 and name HG1* )) 1.80 0.00 3.40
assign ((segid A and resid 74 and name HN )) ((segid B and resid 68 and name HG1* )) 1.80 0.00 3.71
assign ((segid A and resid 75 and name HB* )) ((segid B and resid 68 and name HG2* )) 1.80 0.00 3.01
assign ((segid A and resid 75 and name HD1* )) ((segid B and resid 65 and name HA )) 1.80 0.00 2.77
assign ((segid A and resid 75 and name HD1* )) ((segid B and resid 68 and name HG1* )) 1.80 0.00 2.70
assign ((segid A and resid 75 and name HD1* )) ((segid B and resid 68 and name HG2* )) 1.80 0.00 2.50
assign ((segid A and resid 75 and name HD2* )) ((segid B and resid 41 and name HD* )) 1.80 0.00 3.20
assign ((segid A and resid 75 and name HD2* )) ((segid B and resid 61 and name HA )) 1.80 0.00 3.77
assign ((segid A and resid 75 and name HD2* )) ((segid B and resid 64 and name HA )) 1.80 0.00 3.24
assign ((segid A and resid 75 and name HD2* )) ((segid B and resid 64 and name HN )) 1.80 0.00 4.03
assign ((segid A and resid 75 and name HD2* )) ((segid B and resid 65 and name HN )) 1.80 0.00 2.04
assign ((segid A and resid 75 and name HD2* )) ((segid B and resid 67 and name HE* )) 1.80 0.00 2.40
assign ((segid A and resid 75 and name HD2* )) ((segid B and resid 67 and name HG* )) 1.80 0.00 3.92
assign ((segid A and resid 75 and name HD2* )) ((segid B and resid 68 and name HG1* )) 1.80 0.00 2.67
assign ((segid A and resid 75 and name HD2* )) ((segid B and resid 68 and name HG2* )) 1.80 0.00 2.72
assign ((segid A and resid 75 and name HD2* )) ((segid B and resid 68 and name HN )) 1.80 0.00 4.25
assign ((segid A and resid 76 and name HB* )) ((segid B and resid 65 and name HE22 )) 1.80 0.00 3.78
assign ((segid A and resid 76 and name HB* )) ((segid B and resid 68 and name HG1* )) 1.80 0.00 2.49
assign ((segid A and resid 76 and name HB* )) ((segid B and resid 69 and name HN )) 1.80 0.00 4.25
assign ((segid A and resid 77 and name HN )) ((segid B and resid 65 and name HE22 )) 1.80 0.00 3.77
list of removed NOE constraints
1845-> LEU B 15 HB* - PHE A 71 HD* 1.80 4.98 # Duplicated (1792)
1846-> LEU B 15 HD1* - PHE A 71 HE* 1.80 3.37 # Duplicated (1798)
1847-> LEU B 15 HD1* - PHE A 71 HZ 1.80 4.77 # Duplicated (1811)
1848-> LEU B 15 HD2* - PHE A 71 HD* 1.80 4.92 # Duplicated (1793)
1849-> LEU B 15 HD2* - PHE A 71 HE* 1.80 3.94 # Duplicated (1799)
1850-> LEU B 16 HB* - ALA A 70 HB* 1.80 4.39 # Duplicated (1779)
1851-> LEU B 16 HD1* - THR A 66 HG2* 1.80 3.49 # Duplicated (1721)
1852-> LEU B 16 HD1* - MET A 67 HA 1.80 4.26 # Duplicated (1728)
1853-> LEU B 16 HD1* - MET A 67 HN 1.80 4.63 # Duplicated (1747)
1854-> LEU B 16 HD1* - ALA A 70 HA 1.80 5.06 # Duplicated (1777)
1855-> LEU B 16 HD1* - ALA A 70 HB* 1.80 3.07 # Duplicated (1780)
1856-> LEU B 16 HD1* - ALA A 70 HN 1.80 4.72 # Duplicated (1782)
1857-> LEU B 16 HD1* - PHE A 71 HE* 1.80 4.98 # Duplicated (1800)
1858-> LEU B 16 HD1* - PHE A 71 HN 1.80 4.68 # Duplicated (1808)
1859-> LEU B 16 HD1* - PHE A 71 HZ 1.80 5.48 # Duplicated (1812)
1860-> LEU B 16 HD2* - THR A 66 HG2* 1.80 4.89 # Duplicated (1722)
1861-> LEU B 16 HD2* - MET A 67 HA 1.80 3.90 # Duplicated (1729)
1862-> LEU B 16 HD2* - MET A 67 HN 1.80 5.80 # Duplicated (1748)
1863-> LEU B 16 HD2* - ALA A 70 HA 1.80 5.33 # Duplicated (1778)
1864-> LEU B 16 HD2* - ALA A 70 HB* 1.80 3.13 # Duplicated (1781)
1865-> LEU B 16 HD2* - ALA A 70 HN 1.80 4.70 # Duplicated (1783)
1866-> LEU B 16 HD2* - PHE A 71 HE* 1.80 5.03 # Duplicated (1801)
1867-> LEU B 16 HD2* - PHE A 71 HN 1.80 5.16 # Duplicated (1809)
1868-> LEU B 16 HG - PHE A 71 HE* 1.80 4.86 # Duplicated (1802)
1869-> LEU B 18 HA - THR A 66 HG2* 1.80 3.49 # Duplicated (1723)
1870-> LEU B 18 HB* - GLU A 63 HA 1.80 5.04 # Same atoms-diff bounds (1705)
1871-> LEU B 18 HD1* - GLU A 63 HA 1.80 4.70 # Duplicated (1706)
1872-> LEU B 18 HD1* - GLU A 63 HB* 1.80 3.88 # Duplicated (1708)
1873-> LEU B 18 HD1* - PHE A 64 HA 1.80 5.41 # Duplicated (1709)
1874-> LEU B 18 HD1* - THR A 66 HG2* 1.80 4.75 # Duplicated (1724)
1875-> LEU B 18 HD1* - MET A 67 HE* 1.80 5.10 # Duplicated (1734)
1876-> LEU B 18 HD1* - MET A 67 HG1 1.80 5.53 # Duplicated (1741)
1877-> LEU B 18 HD1* - MET A 67 HG2 1.80 5.53 # Duplicated (1744)
1878-> LEU B 18 HD1* - MET A 67 HN 1.80 5.31 # Duplicated (1749)
1879-> LEU B 18 HD2* - GLU A 63 HA 1.80 4.82 # Duplicated (1707)
1880-> LEU B 18 HD2* - PHE A 64 HA 1.80 6.05 # Duplicated (1710)
1881-> LEU B 18 HD2* - THR A 66 HA 1.80 5.73 # Duplicated (1719)
1882-> LEU B 18 HD2* - THR A 66 HB 1.80 3.73 # Duplicated (1720)
1883-> LEU B 18 HD2* - THR A 66 HG2* 1.80 3.12 # Duplicated (1725)
1884-> LEU B 18 HD2* - THR A 66 HN 1.80 5.48 # Duplicated (1727)
1885-> LEU B 18 HD2* - MET A 67 HA 1.80 3.81 # Duplicated (1730)
1886-> LEU B 18 HD2* - MET A 67 HB* 1.80 4.47 # Duplicated (1732)
1887-> LEU B 18 HD2* - MET A 67 HG1 1.80 5.17 # Duplicated (1742)
1888-> LEU B 18 HD2* - MET A 67 HG2 1.80 5.17 # Duplicated (1745)
1889-> LEU B 18 HD2* - MET A 67 HN 1.80 3.67 # Duplicated (1750)
1890-> LEU B 18 HD2* - VAL A 68 HN 1.80 5.52 # Duplicated (1774)
1891-> LEU B 18 HG - THR A 66 HG2* 1.80 5.36 # Duplicated (1726)
1892-> LYS B 27 HA - ILE A 57 HD1* 1.80 5.63 # Duplicated (1681)
1893-> LYS B 27 HD* - ILE A 57 HD1* 1.80 3.23 # Duplicated (1682)
1894-> LYS B 27 HD* - ILE A 57 HG1* 1.80 3.81 # Duplicated (1694)
1895-> LYS B 27 HE* - ILE A 57 HD1* 1.80 3.84 # Duplicated (1683)
1896-> LYS B 27 HE* - LEU A 59 HA 1.80 5.25 # Duplicated (1700)
1897-> LYS B 27 HE* - LEU A 59 HD2* 1.80 3.81 # Duplicated (1702)
1898-> LYS B 27 HG* - ILE A 57 HD1* 1.80 4.25 # Duplicated (1684)
1899-> LYS B 27 HG* - ILE A 57 HG2* 1.80 5.87 # Duplicated (1697)
1900-> LYS B 27 HG* - LEU A 59 HD1* 1.80 5.87 # Duplicated (1701)
1901-> LYS B 27 HG* - LEU A 59 HD2* 1.80 5.85 # Duplicated (1703)
1902-> ILE B 29 HD1* - MET A 67 HA 1.80 4.41 # Duplicated (1731)
1903-> ILE B 29 HD1* - MET A 67 HB* 1.80 5.03 # Duplicated (1733)
1904-> ILE B 29 HD1* - MET A 67 HG1 1.80 5.50 # Duplicated (1743)
1905-> ILE B 29 HD1* - MET A 67 HG2 1.80 5.50 # Duplicated (1746)
1906-> ILE B 29 HD1* - PHE A 71 HD* 1.80 4.95 # Duplicated (1794)
1907-> ILE B 29 HD1* - PHE A 71 HE* 1.80 3.88 # Duplicated (1803)
1908-> ILE B 29 HD1* - PHE A 71 HZ 1.80 3.93 # Duplicated (1813)
1909-> ILE B 29 HG2* - PHE A 71 HE* 1.80 4.11 # Duplicated (1804)
1910-> ILE B 29 HG2* - PHE A 71 HZ 1.80 4.70 # Duplicated (1814)
1911-> PHE B 41 HD* - LEU A 75 HD2* 1.80 5.00 # Duplicated (1831)
1912-> ILE B 43 HB - ILE A 57 HD1* 1.80 4.69 # Duplicated (1685)
1913-> ARG B 44 HA - ILE A 57 HD1* 1.80 3.59 # Duplicated (1686)
1914-> ALA B 45 HB* - ILE A 57 HD1* 1.80 4.39 # Duplicated (1687)
1915-> ALA B 45 HN - ILE A 57 HD1* 1.80 4.88 # Duplicated (1688)
1916-> LYS B 55 HB* - ILE A 57 HD1* 1.80 4.76 # Duplicated (1689)
1917-> GLY B 56 HA* - ILE A 57 HG11 1.80 6.05 # Duplicated (1695)
1918-> GLY B 56 HA* - ILE A 57 HG12 1.80 6.05 # Duplicated (1696)
1919-> GLY B 56 HA* - ILE A 57 HG2* 1.80 5.10 # Duplicated (1698)
1920-> GLY B 56 HA1 - ILE A 57 HB 1.80 6.05 # Duplicated (1678)
1921-> GLY B 56 HA1 - ILE A 57 HD1* 1.80 4.65 # Duplicated (1690)
1922-> GLY B 56 HA2 - ILE A 57 HB 1.80 6.05 # Duplicated (1679)
1923-> GLY B 56 HA2 - ILE A 57 HD1* 1.80 4.65 # Duplicated (1691)
1924-> GLY B 56 HN - ILE A 57 HB 1.80 6.05 # Duplicated (1680)
1925-> GLY B 56 HN - ILE A 57 HD1* 1.80 4.86 # Duplicated (1692)
1926-> ILE B 57 HB - GLY A 56 HA1 1.80 6.05 # Duplicated (1672)
1927-> ILE B 57 HB - GLY A 56 HA2 1.80 6.05 # Duplicated (1674)
1928-> ILE B 57 HB - GLY A 56 HN 1.80 6.05 # Duplicated (1676)
1929-> ILE B 57 HD1* - LYS A 27 HA 1.80 5.63 # Duplicated (1644)
1930-> ILE B 57 HD1* - LYS A 27 HD* 1.80 3.23 # Duplicated (1645)
1931-> ILE B 57 HD1* - LYS A 27 HE* 1.80 3.84 # Duplicated (1647)
1932-> ILE B 57 HD1* - LYS A 27 HG* 1.80 4.25 # Duplicated (1650)
1933-> ILE B 57 HD1* - ILE A 43 HB 1.80 4.69 # Duplicated (1664)
1934-> ILE B 57 HD1* - ARG A 44 HA 1.80 3.59 # Duplicated (1665)
1935-> ILE B 57 HD1* - ALA A 45 HB* 1.80 4.39 # Duplicated (1666)
1936-> ILE B 57 HD1* - ALA A 45 HN 1.80 4.88 # Duplicated (1667)
1937-> ILE B 57 HD1* - LYS A 55 HB* 1.80 4.76 # Duplicated (1668)
1938-> ILE B 57 HD1* - GLY A 56 HA1 1.80 4.65 # Duplicated (1673)
1939-> ILE B 57 HD1* - GLY A 56 HA2 1.80 4.65 # Duplicated (1675)
1940-> ILE B 57 HD1* - GLY A 56 HN 1.80 4.86 # Duplicated (1677)
1941-> ILE B 57 HD1* - ILE A 57 HN 1.80 6.05 # Duplicated (1699)
1942-> ILE B 57 HG1* - LYS A 27 HD* 1.80 3.81 # Duplicated (1646)
1943-> ILE B 57 HG11 - GLY A 56 HA* 1.80 6.05 # Duplicated (1669)
1944-> ILE B 57 HG12 - GLY A 56 HA* 1.80 6.05 # Duplicated (1670)
1945-> ILE B 57 HG2* - LYS A 27 HG* 1.80 5.87 # Duplicated (1651)
1946-> ILE B 57 HG2* - GLY A 56 HA* 1.80 5.10 # Duplicated (1671)
1947-> ILE B 57 HN - ILE A 57 HD1* 1.80 6.05 # Duplicated (1693)
1948-> LEU B 59 HA - LYS A 27 HE* 1.80 5.25 # Duplicated (1648)
1949-> LEU B 59 HD1* - LYS A 27 HG* 1.80 5.87 # Duplicated (1652)
1950-> LEU B 59 HD2* - LYS A 27 HE* 1.80 3.81 # Duplicated (1649)
1951-> LEU B 59 HD2* - LYS A 27 HG* 1.80 5.85 # Duplicated (1653)
1952-> ASN B 61 HA - LEU A 75 HD2* 1.80 5.57 # Duplicated (1832)
1953-> GLU B 63 HA - LEU A 18 HB* 1.80 4.93 # Duplicated (1622)
1954-> GLU B 63 HA - LEU A 18 HD1* 1.80 4.70 # Duplicated (1623)
1955-> GLU B 63 HA - LEU A 18 HD2* 1.80 4.82 # Duplicated (1631)
1956-> GLU B 63 HB* - LEU A 18 HD1* 1.80 3.88 # Duplicated (1624)
1957-> PHE B 64 HA - LEU A 18 HD1* 1.80 5.41 # Duplicated (1625)
1958-> PHE B 64 HA - LEU A 18 HD2* 1.80 6.05 # Duplicated (1632)
1959-> PHE B 64 HA - LEU A 75 HD2* 1.80 5.04 # Duplicated (1833)
1960-> PHE B 64 HE* - PHE A 71 HZ 1.80 4.22 # Duplicated (1815)
1961-> PHE B 64 HN - LEU A 75 HD2* 1.80 5.83 # Duplicated (1834)
1962-> PHE B 64 HZ - PHE A 71 HE* 1.80 3.89 # Duplicated (1805)
1963-> GLN B 65 HA - LEU A 75 HD1* 1.80 4.57 # Duplicated (1828)
1964-> GLN B 65 HE22 - GLU A 76 HB* 1.80 5.58 # Duplicated (1841)
1965-> GLN B 65 HE22 - HIS A 77 HN 1.80 5.57 # Duplicated (1844)
1966-> GLN B 65 HN - LEU A 75 HD2* 1.80 3.84 # Duplicated (1835)
1967-> THR B 66 HA - LEU A 18 HD2* 1.80 5.73 # Duplicated (1633)
1968-> THR B 66 HB - LEU A 18 HD2* 1.80 3.73 # Duplicated (1634)
1969-> THR B 66 HG2* - LEU A 16 HD1* 1.80 3.49 # Duplicated (1603)
1970-> THR B 66 HG2* - LEU A 16 HD2* 1.80 4.89 # Duplicated (1612)
1971-> THR B 66 HG2* - LEU A 18 HA 1.80 3.49 # Duplicated (1621)
1972-> THR B 66 HG2* - LEU A 18 HD1* 1.80 4.75 # Duplicated (1626)
1973-> THR B 66 HG2* - LEU A 18 HD2* 1.80 3.12 # Duplicated (1635)
1974-> THR B 66 HG2* - LEU A 18 HG 1.80 5.36 # Duplicated (1643)
1975-> THR B 66 HN - LEU A 18 HD2* 1.80 5.48 # Duplicated (1636)
1976-> MET B 67 HA - LEU A 16 HD1* 1.80 4.26 # Duplicated (1604)
1977-> MET B 67 HA - LEU A 16 HD2* 1.80 3.90 # Duplicated (1613)
1978-> MET B 67 HA - LEU A 18 HD2* 1.80 3.81 # Duplicated (1637)
1979-> MET B 67 HA - ILE A 29 HD1* 1.80 4.41 # Duplicated (1654)
1980-> MET B 67 HB* - LEU A 18 HD2* 1.80 4.47 # Duplicated (1638)
1981-> MET B 67 HB* - ILE A 29 HD1* 1.80 5.03 # Duplicated (1655)
1982-> MET B 67 HE* - LEU A 18 HD1* 1.80 5.10 # Duplicated (1627)
1983-> MET B 67 HE* - PHE A 71 HB* 1.80 3.77 # Duplicated (1786)
1984-> MET B 67 HE* - PHE A 71 HD* 1.80 4.81 # Duplicated (1795)
1985-> MET B 67 HE* - PHE A 71 HE* 1.80 4.39 # Duplicated (1806)
1986-> MET B 67 HE* - PHE A 71 HZ 1.80 3.94 # Duplicated (1816)
1987-> MET B 67 HE* - LEU A 75 HD2* 1.80 4.20 # Duplicated (1836)
1988-> MET B 67 HG* - LEU A 75 HD2* 1.80 5.72 # Duplicated (1837)
1989-> MET B 67 HG1 - LEU A 18 HD1* 1.80 5.53 # Duplicated (1628)
1990-> MET B 67 HG1 - LEU A 18 HD2* 1.80 5.17 # Duplicated (1639)
1991-> MET B 67 HG1 - ILE A 29 HD1* 1.80 5.50 # Duplicated (1656)
1992-> MET B 67 HG2 - LEU A 18 HD1* 1.80 5.53 # Duplicated (1629)
1993-> MET B 67 HG2 - LEU A 18 HD2* 1.80 5.17 # Duplicated (1640)
1994-> MET B 67 HG2 - ILE A 29 HD1* 1.80 5.50 # Duplicated (1657)
1995-> MET B 67 HN - LEU A 16 HD1* 1.80 4.63 # Duplicated (1605)
1996-> MET B 67 HN - LEU A 16 HD2* 1.80 5.80 # Duplicated (1614)
1997-> MET B 67 HN - LEU A 18 HD1* 1.80 5.31 # Duplicated (1630)
1998-> MET B 67 HN - LEU A 18 HD2* 1.80 3.67 # Duplicated (1641)
1999-> VAL B 68 HA - PHE A 71 HA 1.80 6.05 # Duplicated (1784)
2000-> VAL B 68 HA - PHE A 71 HB* 1.80 4.35 # Duplicated (1787)
2001-> VAL B 68 HG1* - PHE A 71 HA 1.80 4.81 # Duplicated (1785)
2002-> VAL B 68 HG1* - PHE A 71 HB1 1.80 5.06 # Duplicated (1788)
2003-> VAL B 68 HG1* - PHE A 71 HB2 1.80 5.06 # Duplicated (1790)
2004-> VAL B 68 HG1* - PHE A 71 HD* 1.80 5.06 # Duplicated (1796)
2005-> VAL B 68 HG1* - LYS A 72 HA 1.80 5.25 # Duplicated (1817)
2006-> VAL B 68 HG1* - LYS A 72 HB* 1.80 5.27 # Duplicated (1819)
2007-> VAL B 68 HG1* - LYS A 72 HG* 1.80 6.05 # Duplicated (1823)
2008-> VAL B 68 HG1* - LYS A 72 HN 1.80 5.51 # Duplicated (1824)
2009-> VAL B 68 HG1* - GLY A 73 HN 1.80 5.20 # Duplicated (1825)
2010-> VAL B 68 HG1* - ASN A 74 HN 1.80 5.51 # Duplicated (1826)
2011-> VAL B 68 HG1* - LEU A 75 HD1* 1.80 4.50 # Duplicated (1829)
2012-> VAL B 68 HG1* - LEU A 75 HD2* 1.80 4.47 # Duplicated (1838)
2013-> VAL B 68 HG1* - GLU A 76 HB* 1.80 4.29 # Duplicated (1842)
2014-> VAL B 68 HG2* - PHE A 71 HB1 1.80 4.74 # Duplicated (1789)
2015-> VAL B 68 HG2* - PHE A 71 HB2 1.80 4.74 # Duplicated (1791)
2016-> VAL B 68 HG2* - PHE A 71 HD* 1.80 4.09 # Duplicated (1797)
2017-> VAL B 68 HG2* - PHE A 71 HE* 1.80 4.95 # Duplicated (1807)
2018-> VAL B 68 HG2* - PHE A 71 HN 1.80 5.39 # Duplicated (1810)
2019-> VAL B 68 HG2* - LEU A 75 HB* 1.80 4.81 # Duplicated (1827)
2020-> VAL B 68 HG2* - LEU A 75 HD1* 1.80 4.30 # Duplicated (1830)
2021-> VAL B 68 HG2* - LEU A 75 HD2* 1.80 4.52 # Duplicated (1839)
2022-> VAL B 68 HN - LEU A 18 HD2* 1.80 5.52 # Duplicated (1642)
2023-> VAL B 68 HN - LEU A 75 HD2* 1.80 6.05 # Duplicated (1840)
2024-> ASP B 69 HN - GLU A 76 HB* 1.80 6.05 # Duplicated (1843)
2025-> ALA B 70 HA - LEU A 16 HD1* 1.80 5.06 # Duplicated (1606)
2026-> ALA B 70 HA - LEU A 16 HD2* 1.80 5.33 # Duplicated (1615)
2027-> ALA B 70 HB* - LEU A 16 HB* 1.80 4.39 # Duplicated (1602)
2028-> ALA B 70 HB* - LEU A 16 HD1* 1.80 3.07 # Duplicated (1607)
2029-> ALA B 70 HB* - LEU A 16 HD2* 1.80 3.13 # Duplicated (1616)
2030-> ALA B 70 HN - LEU A 16 HD1* 1.80 4.72 # Duplicated (1608)
2031-> ALA B 70 HN - LEU A 16 HD2* 1.80 4.70 # Duplicated (1617)
2032-> PHE B 71 HA - VAL A 68 HA 1.80 6.05 # Duplicated (1751)
2033-> PHE B 71 HA - VAL A 68 HG1* 1.80 4.81 # Duplicated (1753)
2034-> PHE B 71 HB* - MET A 67 HE* 1.80 3.77 # Duplicated (1735)
2035-> PHE B 71 HB* - VAL A 68 HA 1.80 4.35 # Duplicated (1752)
2036-> PHE B 71 HB1 - VAL A 68 HG1* 1.80 5.06 # Duplicated (1754)
2037-> PHE B 71 HB1 - VAL A 68 HG2* 1.80 4.74 # Duplicated (1766)
2038-> PHE B 71 HB2 - VAL A 68 HG1* 1.80 5.06 # Duplicated (1755)
2039-> PHE B 71 HB2 - VAL A 68 HG2* 1.80 4.74 # Duplicated (1767)
2040-> PHE B 71 HD* - LEU A 15 HB* 1.80 4.98 # Duplicated (1597)
2041-> PHE B 71 HD* - LEU A 15 HD2* 1.80 5.60 # Duplicated (1600)
2042-> PHE B 71 HD* - ILE A 29 HD1* 1.80 4.95 # Duplicated (1658)
2043-> PHE B 71 HD* - MET A 67 HE* 1.80 4.81 # Duplicated (1736)
2044-> PHE B 71 HD* - VAL A 68 HG1* 1.80 5.06 # Duplicated (1756)
2045-> PHE B 71 HD* - VAL A 68 HG2* 1.80 4.09 # Duplicated (1768)
2046-> PHE B 71 HE* - LEU A 15 HD1* 1.80 3.37 # Duplicated (1598)
2047-> PHE B 71 HE* - LEU A 15 HD2* 1.80 3.94 # Duplicated (1601)
2048-> PHE B 71 HE* - LEU A 16 HD1* 1.80 4.98 # Duplicated (1609)
2049-> PHE B 71 HE* - LEU A 16 HD2* 1.80 5.03 # Duplicated (1618)
2050-> PHE B 71 HE* - LEU A 16 HG 1.80 4.86 # Duplicated (1620)
2051-> PHE B 71 HE* - ILE A 29 HD1* 1.80 3.88 # Duplicated (1659)
2052-> PHE B 71 HE* - ILE A 29 HG2* 1.80 4.11 # Duplicated (1661)
2053-> PHE B 71 HE* - PHE A 64 HZ 1.80 3.89 # Duplicated (1714)
2054-> PHE B 71 HE* - MET A 67 HE* 1.80 4.39 # Duplicated (1737)
2055-> PHE B 71 HE* - VAL A 68 HG2* 1.80 4.95 # Duplicated (1769)
2056-> PHE B 71 HN - LEU A 16 HD1* 1.80 4.68 # Duplicated (1610)
2057-> PHE B 71 HN - LEU A 16 HD2* 1.80 5.16 # Duplicated (1619)
2058-> PHE B 71 HN - VAL A 68 HG2* 1.80 5.39 # Duplicated (1770)
2059-> PHE B 71 HZ - LEU A 15 HD1* 1.80 4.77 # Duplicated (1599)
2060-> PHE B 71 HZ - LEU A 16 HD1* 1.80 5.48 # Duplicated (1611)
2061-> PHE B 71 HZ - ILE A 29 HD1* 1.80 3.93 # Duplicated (1660)
2062-> PHE B 71 HZ - ILE A 29 HG2* 1.80 4.70 # Duplicated (1662)
2063-> PHE B 71 HZ - PHE A 64 HE* 1.80 4.22 # Duplicated (1712)
2064-> PHE B 71 HZ - MET A 67 HE* 1.80 3.94 # Duplicated (1738)
2065-> LYS B 72 HA - VAL A 68 HG1* 1.80 5.25 # Duplicated (1757)
2066-> LYS B 72 HA - LYS A 72 HE* 1.80 4.64 # Duplicated (1821)
2067-> LYS B 72 HB* - VAL A 68 HG1* 1.80 5.27 # Duplicated (1758)
2068-> LYS B 72 HB* - LYS A 72 HE* 1.80 4.93 # Duplicated (1822)
2069-> LYS B 72 HE* - LYS A 72 HA 1.80 4.64 # Duplicated (1818)
2070-> LYS B 72 HE* - LYS A 72 HB* 1.80 4.93 # Duplicated (1820)
2071-> LYS B 72 HG* - VAL A 68 HG1* 1.80 6.05 # Duplicated (1759)
2072-> LYS B 72 HN - VAL A 68 HG1* 1.80 5.51 # Duplicated (1760)
2073-> GLY B 73 HN - VAL A 68 HG1* 1.80 5.20 # Duplicated (1761)
2074-> ASN B 74 HN - VAL A 68 HG1* 1.80 5.51 # Duplicated (1762)
2075-> LEU B 75 HB* - VAL A 68 HG2* 1.80 4.81 # Duplicated (1771)
2076-> LEU B 75 HD1* - GLN A 65 HA 1.80 4.57 # Duplicated (1715)
2077-> LEU B 75 HD1* - VAL A 68 HG1* 1.80 4.37 # Duplicated (1763)
2078-> LEU B 75 HD1* - VAL A 68 HG2* 1.80 4.30 # Duplicated (1772)
2079-> LEU B 75 HD2* - PHE A 41 HD* 1.80 5.00 # Duplicated (1663)
2080-> LEU B 75 HD2* - ASN A 61 HA 1.80 5.57 # Duplicated (1704)
2081-> LEU B 75 HD2* - PHE A 64 HA 1.80 5.04 # Duplicated (1711)
2082-> LEU B 75 HD2* - PHE A 64 HN 1.80 5.83 # Duplicated (1713)
2083-> LEU B 75 HD2* - GLN A 65 HN 1.80 3.84 # Duplicated (1718)
2084-> LEU B 75 HD2* - MET A 67 HE* 1.80 4.20 # Duplicated (1739)
2085-> LEU B 75 HD2* - MET A 67 HG* 1.80 5.72 # Duplicated (1740)
2086-> LEU B 75 HD2* - VAL A 68 HG1* 1.80 4.47 # Duplicated (1764)
2087-> LEU B 75 HD2* - VAL A 68 HG2* 1.80 4.52 # Duplicated (1773)
2088-> LEU B 75 HD2* - VAL A 68 HN 1.80 6.05 # Duplicated (1775)
2089-> GLU B 76 HB* - GLN A 65 HE22 1.80 5.58 # Duplicated (1716)
2090-> GLU B 76 HB* - VAL A 68 HG1* 1.80 4.29 # Duplicated (1765)
2091-> GLU B 76 HB* - ASP A 69 HN 1.80 6.05 # Duplicated (1776)
2092-> HIS B 77 HN - GLN A 65 HE22 1.80 5.57 # Duplicated (1717)
====== TOTAL ======: 248
table of distance constraints violations
Residual Violations greater than 0.10
7-> LYS A 2 HB3 - LYS A 2 HD* [ 1.80 3.30] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.00 .. 0.15]
14-> LYS A 3 HB* - MET A 4 HN [ 1.80 3.90] 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.10 0.00 0.07 0.00 0.00 - 5 [ 0.07 .. 0.10]
21-> MET A 4 HN - MET A 4 HB* [ 1.80 3.18] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.15 .. 0.15]
123-> GLU A 12 HG3 - ALA A 39 HB* [ 1.80 3.74] 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.06 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 - 4 [ 0.01 .. 0.11]
125-> GLU A 12 HG2 - VAL A 32 HA [ 1.80 5.19] 0.00 0.12 0.00 0.04 0.00 0.00 0.00 0.00 0.03 0.00 0.02 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.01 0.00 - 6 [ 0.01 .. 0.12]
161-> LEU A 15 HA - LEU A 15 HD2* [ 1.80 3.13] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.11 .. 0.11]
200-> LEU A 16 HD1* - THR A 17 HN [ 1.80 4.80] 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.09 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.08 - 5 [ 0.06 .. 0.13]
243-> LEU A 18 HG - LYS A 27 HG* [ 1.80 5.01] 0.00 0.00 0.00 0.00 0.18 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 - 2 [ 0.05 .. 0.18]
282-> GLU A 22 HN - GLU A 22 HG* [ 1.80 4.30] 0.17 0.00 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 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.09 .. 0.17]
332-> LYS A 27 HG* - ARG A 44 HA [ 1.80 5.13] 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.11 .. 0.11]
400-> ARG A 31 HH2* - ALA A 39 HB* [ 1.80 4.22] 0.00 0.00 0.17 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 - 4 [ 0.03 .. 0.17]
426-> SER A 33 HB* - ALA A 39 HB* [ 1.80 3.82] 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 - 2 [ 0.10 .. 0.14]
441-> ALA A 37 HA - PRO A 38 HD* [ 1.80 3.34] 0.17 0.00 0.01 0.15 0.00 0.00 0.00 0.00 0.20 0.00 0.17 0.00 0.19 0.00 0.15 0.00 0.00 0.00 0.00 0.00 - 7 [ 0.01 .. 0.20]
474-> PHE A 41 HB3 - LEU A 59 HD1* [ 1.80 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 0.21 0.00 0.00 0.00 - 1 [ 0.21 .. 0.21]
558-> LYS A 52 HB2 - MET A 53 HN [ 1.80 4.04] 0.00 0.00 0.07 0.00 0.00 0.00 0.01 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.05 - 5 [ 0.01 .. 0.19]
682-> GLN A 65 HE21 - VAL A 68 HB [ 1.80 4.75] 0.00 0.00 0.00 0.11 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 - 2 [ 0.05 .. 0.11]
709-> MET A 67 HE* - VAL A 68 HG2* [ 1.80 3.40] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.13 .. 0.13]
758-> LYS A 72 HD* - GLY A 73 HN [ 1.80 5.06] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.00 - 3 [ 0.04 .. 0.15]
791-> HIS A 79 HB* - HIS A 80 HN [ 1.80 4.26] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.10 .. 0.10]
803-> LYS B 2 HA - LYS B 3 HN [ 1.80 3.37] 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.09 0.00 0.13 0.00 0.13 0.00 0.00 0.11 0.00 0.00 0.05 0.00 0.00 - 6 [ 0.05 .. 0.14]
806-> LYS B 2 HB2 - LYS B 2 HD* [ 1.80 3.30] 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.00 .. 0.15]
819-> MET B 4 HN - MET B 4 HB* [ 1.80 3.18] 0.00 0.00 0.00 0.13 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 - 3 [ 0.10 .. 0.13]
833-> PHE B 7 HB* - THR B 8 HN [ 1.80 3.60] 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.08 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 - 4 [ 0.02 .. 0.34]
976-> LEU B 15 HD1* - PHE B 41 HA [ 1.80 4.80] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 - 2 [ 0.11 .. 0.16]
987-> LEU B 15 HG - ASN B 30 HA [ 1.80 4.59] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 - 2 [ 0.06 .. 0.20]
1002-> LEU B 16 HD2* - ILE B 29 HB [ 1.80 4.49] 0.13 0.00 0.00 0.00 0.00 0.09 0.00 0.01 0.00 0.00 0.00 0.01 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 6 [ 0.00 .. 0.13]
1075-> ASN B 21 HN - THR B 26 HG2* [ 1.80 4.80] 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.04 0.02 0.00 0.03 0.13 0.00 0.00 0.00 0.00 0.00 - 7 [ 0.00 .. 0.13]
1080-> GLU B 22 HN - GLU B 22 HG* [ 1.80 4.30] 0.00 0.14 0.02 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 - 3 [ 0.02 .. 0.14]
1100-> TRP B 25 HH2 - LYS B 52 HB2 [ 1.80 5.57] 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.10 .. 0.10]
1109-> TRP B 25 HZ2 - LYS B 52 HG* [ 1.80 4.76] 0.00 0.00 0.00 0.00 0.00 0.04 0.04 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.04 .. 0.12]
1116-> THR B 26 HN - ALA B 45 HB* [ 1.80 4.85] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.05 0.11 0.00 0.00 0.00 0.00 - 4 [ 0.00 .. 0.11]
1135-> LYS B 27 HN - LYS B 27 HE* [ 1.80 5.30] 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.01 .. 0.14]
1198-> ARG B 31 HH2* - ALA B 39 HB* [ 1.80 4.22] 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.02 .. 0.18]
1210-> VAL B 32 HG2* - ASP B 42 HB* [ 1.80 3.95] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.00 - 2 [ 0.07 .. 0.10]
1239-> ALA B 37 HA - PRO B 38 HD* [ 1.80 3.34] 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 0.14 0.00 0.15 0.00 0.15 0.00 0.00 - 4 [ 0.14 .. 0.15]
1310-> ILE B 43 HG2* - PHE B 64 HE* [ 1.80 6.05] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.18 0.00 - 2 [ 0.15 .. 0.18]
1356-> LYS B 52 HB2 - MET B 53 HN [ 1.80 4.04] 0.00 0.00 0.08 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 0.23 0.00 0.00 - 3 [ 0.04 .. 0.23]
1384-> LYS B 55 HN - LYS B 55 HD* [ 1.80 4.58] 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.11 0.05 0.00 0.04 0.00 0.00 0.00 - 5 [ 0.04 .. 0.11]
1468-> GLN B 65 HA - GLN B 65 HE21 [ 1.80 4.82] 0.00 0.00 0.00 0.00 0.03 0.00 0.10 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 - 4 [ 0.03 .. 0.20]
1556-> LYS B 72 HD* - GLY B 73 HN [ 1.80 5.06] 0.00 0.00 0.01 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.02 0.00 - 4 [ 0.01 .. 0.12]
1595-> HIS B 81 HN - HIS B 81 HB* [ 1.80 3.29] 0.00 0.00 0.12 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.00 .. 0.12]
1793-> PHE A 71 HD* - LEU B 15 HD2* [ 1.80 4.92] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.01 0.00 0.00 0.00 0.00 0.02 0.00 0.02 0.04 0.01 - 6 [ 0.01 .. 0.14]
1848-> LEU B 15 HD2* - PHE A 71 HD* [ 1.80 4.92] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.01 0.00 0.00 0.00 0.00 0.02 0.00 0.02 0.04 0.01 - 6 [ 0.01 .. 0.14]
2155-> TRP B 25 HN - ASN B 21 O [ 1.70 2.30] 0.03 0.04 0.01 0.00 0.00 0.04 0.04 0.03 0.00 0.04 0.12 0.03 0.00 0.11 0.06 0.10 0.00 0.08 0.04 0.04 - 15 [ 0.01 .. 0.12]
2203-> GLY B 73 HN - ASP B 69 O [ 1.70 2.30] 0.05 0.07 0.04 0.04 0.01 0.08 0.06 0.07 0.03 0.04 0.09 0.02 0.06 0.05 0.08 0.06 0.09 0.04 0.11 0.11 - 20 [ 0.01 .. 0.11]
-------------------------------------------
Number of Violations greater than 0.10 3 3 3 4 4 3 3 2 2 9 4 4 1 5 3 5 1 2 6 2
-------------------------------------------
---- 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: 3 3 3 4 4 3 3 2 2 7 4 4 1 5 3 5 0 1 6 2 3.25
0.2 - 0.5 ang: 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 1 1 0 0 0.20
> 0.5 ang: 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00
Total : 107 93 109 96 96 95 88 125 81 120 107 127 98 103 106 130 113 93 127 106 106.00
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 : 0.175 0.142 0.170 0.149 0.183 0.134 0.145 0.146 0.196 0.340 0.175 0.147 0.194 0.178 0.150 0.147 0.213 0.232 0.199 0.113 0.340
Max Intra Viol : 0.171 0.142 0.118 0.147 0.143 0.134 0.108 0.146 0.107 0.092 0.053 0.147 0.072 0.107 0.067 0.098 0.080 0.029 0.199 0.093 0.199
Max Inter Viol : 0.049 0.089 0.044 0.085 0.042 0.066 0.056 0.075 0.044 0.140 0.060 0.045 0.094 0.090 0.057 0.065 0.081 0.069 0.094 0.071 0.140
Max Seque Viol : 0.175 0.081 0.085 0.149 0.124 0.078 0.145 0.130 0.196 0.340 0.175 0.131 0.194 0.140 0.150 0.147 0.096 0.232 0.023 0.078 0.340
Max Medium Viol : 0.054 0.072 0.085 0.108 0.077 0.078 0.060 0.075 0.037 0.084 0.124 0.068 0.071 0.109 0.083 0.104 0.094 0.076 0.110 0.113 0.124
Max Long Viol : 0.129 0.124 0.170 0.051 0.183 0.103 0.069 0.095 0.087 0.201 0.084 0.116 0.096 0.178 0.134 0.145 0.213 0.089 0.181 0.106 0.213
Average Violation : 0.001 0.001 0.002 0.001 0.001 0.001 0.001 0.002 0.001 0.002 0.002 0.002 0.001 0.002 0.001 0.002 0.002 0.001 0.002 0.001 0.00150
Avge Intra Viol : 0.001 0.000 0.001 0.001 0.001 0.001 0.000 0.001 0.000 0.001 0.000 0.001 0.001 0.000 0.000 0.001 0.000 0.000 0.001 0.001 0.00065
Avge Inter Viol : 0.001 0.002 0.002 0.002 0.001 0.002 0.002 0.002 0.001 0.003 0.002 0.002 0.002 0.002 0.002 0.002 0.003 0.002 0.003 0.002 0.00205
Avge Seque Viol : 0.001 0.000 0.001 0.001 0.000 0.001 0.001 0.001 0.000 0.001 0.001 0.001 0.000 0.001 0.001 0.001 0.000 0.001 0.001 0.001 0.00066
Avge Mediu Viol : 0.003 0.005 0.004 0.003 0.002 0.002 0.002 0.004 0.004 0.009 0.006 0.004 0.003 0.004 0.004 0.005 0.003 0.006 0.001 0.002 0.00380
Avge Long Viol : 0.002 0.002 0.002 0.001 0.002 0.002 0.001 0.002 0.002 0.002 0.001 0.002 0.002 0.002 0.002 0.003 0.002 0.001 0.004 0.002 0.00192
RMS Violation : 0.009 0.009 0.010 0.009 0.009 0.008 0.007 0.010 0.008 0.014 0.010 0.010 0.009 0.010 0.009 0.011 0.010 0.010 0.011 0.008 0.00951
RMS Inter : 0.006 0.009 0.007 0.010 0.005 0.008 0.008 0.009 0.006 0.012 0.009 0.008 0.010 0.008 0.008 0.009 0.012 0.008 0.012 0.008 0.00879
RMS Intra : 0.009 0.007 0.009 0.009 0.010 0.008 0.007 0.009 0.005 0.007 0.003 0.011 0.006 0.005 0.005 0.007 0.005 0.001 0.010 0.006 0.00737
RMS Sequential : 0.005 0.005 0.007 0.008 0.004 0.005 0.005 0.005 0.003 0.005 0.009 0.005 0.004 0.007 0.006 0.007 0.004 0.006 0.007 0.008 0.00594
RMS Medium range : 0.017 0.017 0.016 0.015 0.014 0.009 0.013 0.019 0.020 0.039 0.026 0.017 0.020 0.019 0.018 0.021 0.013 0.028 0.004 0.011 0.01903
RMS Long range : 0.010 0.011 0.013 0.007 0.011 0.008 0.006 0.011 0.008 0.014 0.006 0.011 0.009 0.013 0.009 0.013 0.012 0.008 0.016 0.009 0.01063
Final --global-- Summary for 20 models, 2204 NOEs/model, 44080 NOEs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ of viol : 66.157
Summ sq. viol : 3.986
Maximum viol : 0.340
Average viol : 0.00150
RMSD viol : 0.00951
Std. Dev. viol : 0.00939
RMS Inter : 0.00879
RMS Intra : 0.00737
RMS Seque : 0.00594
RMS Medi : 0.01903
RMS Long : 0.01063
table of dihedral angle constraints violations
1-> [THR A 8] PHI -132.1 -73.1 1.1 0.0 0.0 0.3 0.0 0.0 1.8 0.0 1.5 0.0 0.0 0.0 0.0 0.0 0.0 0.3 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 1.8]
2-> [THR A 8] PSI 119.2 160.8 0.9 0.0 0.0 0.0 0.7 0.1 1.1 1.0 0.8 0.0 0.0 0.0 0.0 0.0 3.0 2.0 0.3 0.0 0.0 1.9 - 10 [ 0.0 .. 3.0]
4-> [PHE A 9] PSI 120.2 -169.2 0.0 1.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.3 0.0 0.0 0.0 0.0 0.0 0.0 0.3 - 3 [ 0.0 .. 1.6]
6-> [GLU A 10] PSI 113.1 153.1 0.0 0.0 0.0 0.0 0.5 0.0 0.0 0.0 0.0 0.0 0.3 1.5 0.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 1.5]
21-> [ASN A 21] PHI -114.8 -74.8 0.0 0.0 0.0 0.0 0.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.1 0.0 2.7 0.0 0.6 0.0 - 4 [ 0.0 .. 2.7]
22-> [ASN A 21] PSI 125.8 -143.0 0.0 2.5 0.0 0.0 0.0 0.0 0.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.6 0.0 0.7 0.0 0.0 - 4 [ 0.0 .. 2.6]
25-> [THR A 26] PHI -152.6 -87.4 1.6 1.8 0.0 0.4 0.0 0.1 0.0 0.5 0.0 0.0 1.7 1.5 2.0 1.6 1.2 0.0 0.2 0.0 0.0 0.8 - 12 [ 0.0 .. 2.0]
26-> [THR A 26] PSI 139.9 -178.3 3.2 2.5 1.5 1.7 1.5 2.4 2.5 0.1 1.8 1.6 3.5 2.7 1.7 1.7 2.1 2.2 2.9 2.2 3.2 2.2 - 20 [ 0.1 .. 3.5]
42-> [PHE A 34] PSI 83.9 154.1 0.0 1.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.6 - 2 [ 0.0 .. 1.6]
46-> [PHE A 41] PSI 115.4 168.6 0.0 0.0 0.0 0.5 0.0 0.0 0.0 0.0 1.2 0.0 0.0 0.5 0.0 0.0 0.0 2.5 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 2.5]
51-> [ARG A 44] PHI -163.1 -112.7 0.0 1.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.9]
54-> [ALA A 45] PSI 101.6 164.0 0.0 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 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.1]
55-> [TRP A 46] PHI -156.7 -108.7 1.2 0.0 0.0 0.0 0.0 0.6 0.4 0.7 0.0 0.9 0.0 0.6 0.1 0.7 0.9 0.0 2.0 0.1 0.2 0.0 - 12 [ 0.0 .. 2.0]
57-> [ILE A 57] PHI -161.5 -121.5 0.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.4 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 1.0]
76-> [MET A 67] PSI -66.0 -26.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.4]
87-> [THR B 8] PHI -132.1 -73.1 0.0 0.0 0.0 0.4 0.4 0.0 1.1 0.0 0.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.8 0.0 0.0 0.0 - 6 [ 0.0 .. 1.1]
88-> [THR B 8] PSI 119.2 160.8 0.0 0.6 0.0 0.0 0.0 0.0 0.6 0.0 1.1 1.2 0.0 0.0 0.0 0.5 0.0 0.0 1.5 0.0 0.0 0.5 - 7 [ 0.0 .. 1.5]
94-> [ILE B 11] PSI 91.8 142.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.4]
99-> [LEU B 16] PHI -172.8 -132.8 0.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.5 0.0 0.0 0.0 0.0 0.4 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 1.5]
106-> [GLU B 20] PSI 104.3 147.9 0.0 0.0 0.0 0.7 0.0 1.7 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 - 4 [ 0.0 .. 1.7]
107-> [ASN B 21] PHI -114.8 -74.8 0.2 0.2 0.0 0.0 0.0 0.6 0.0 0.0 0.0 0.0 1.4 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 2.0]
108-> [ASN B 21] PSI 125.8 -143.0 0.0 0.0 0.0 0.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.3 0.0 0.0 0.0 2.1 0.0 0.0 0.0 - 3 [ 0.0 .. 2.1]
111-> [THR B 26] PHI -152.6 -87.4 0.0 0.0 0.0 0.0 0.0 0.2 2.0 0.0 0.4 0.7 0.9 0.0 0.8 2.3 1.3 1.2 1.2 0.0 0.0 0.4 - 11 [ 0.0 .. 2.3]
112-> [THR B 26] PSI 139.9 -178.3 3.2 2.0 0.8 4.2 3.4 2.7 2.4 1.9 1.2 1.9 1.6 1.1 0.0 2.4 2.6 2.6 0.0 1.5 2.2 0.7 - 18 [ 0.0 .. 4.2]
114-> [LYS B 27] PSI 116.3 166.1 0.0 0.0 0.0 0.0 0.0 0.2 0.0 0.0 0.7 0.0 0.0 0.0 2.6 0.0 0.0 0.0 0.0 0.0 0.3 0.0 - 4 [ 0.0 .. 2.6]
126-> [SER B 33] PSI 102.5 146.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.5 0.0 0.0 0.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.5]
132-> [PHE B 41] PSI 115.4 168.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.8 0.0 0.0 1.1 0.0 1.6 0.6 0.0 1.4 1.3 0.0 0.0 - 7 [ 0.0 .. 1.6]
135-> [ILE B 43] PHI -147.1 -91.3 0.0 0.0 0.0 1.1 0.0 0.0 0.0 0.0 0.2 0.0 0.0 0.0 0.0 0.1 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 1.1]
136-> [ILE B 43] PSI 104.9 147.3 1.3 0.0 0.0 1.5 0.0 0.0 0.0 0.0 0.0 0.0 0.6 0.0 1.3 0.0 0.3 0.0 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 1.5]
141-> [TRP B 46] PHI -156.7 -108.7 1.5 0.9 0.5 1.3 0.2 0.0 0.0 0.0 0.1 1.4 0.7 0.0 0.0 0.4 0.3 0.0 0.7 2.2 0.5 1.0 - 14 [ 0.0 .. 2.2]
142-> [TRP B 46] PSI 125.7 -172.7 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 1.1 0.0 0.0 0.0 0.2 0.0 0.0 - 3 [ 0.0 .. 1.1]
143-> [ILE B 57] PHI -161.5 -121.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.1]
152-> [GLU B 62] PSI -60.4 -20.4 0.0 0.0 0.0 1.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.7]
164-> [VAL B 68] PSI -61.4 -19.4 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 1.8 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 2.6]
---- 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 : 7 7 2 6 2 3 6 1 6 7 5 9 5 7 5 6 7 4 2 3 5.00
> 10. degrees : 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00
Total : 15 16 7 14 10 14 12 7 15 11 15 15 13 12 12 11 18 11 10 12 12.50
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 : 3.2 2.5 2.1 4.2 3.4 2.7 2.5 1.9 1.8 2.6 3.5 2.7 2.6 2.4 3.0 2.6 2.9 2.2 3.2 2.2 4.24
Max PHI Viol : 1.6 1.9 0.5 1.3 0.9 0.6 2.0 0.7 1.5 1.4 1.7 2.0 2.0 2.3 1.3 1.2 2.7 2.2 0.6 1.0 2.66
Max PSI Viol : 3.2 2.5 2.1 4.2 3.4 2.7 2.5 1.9 1.8 2.6 3.5 2.7 2.6 2.4 3.0 2.6 2.9 2.2 3.2 2.2 4.24
Average Violation : 0.1 0.1 0.0 0.1 0.0 0.1 0.1 0.0 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.0 0.1 0.074
Avge PHI Viol : 0.290 0.269 0.090 0.201 0.153 0.152 0.282 0.118 0.212 0.185 0.284 0.269 0.205 0.244 0.221 0.147 0.321 0.164 0.122 0.158 0.214
Avge PSI Viol : 0.321 0.367 0.240 0.366 0.276 0.318 0.299 0.190 0.326 0.365 0.292 0.330 0.324 0.342 0.317 0.404 0.340 0.318 0.286 0.311 0.320
RMS Violation : 0.426 0.422 0.215 0.425 0.304 0.322 0.377 0.174 0.292 0.362 0.379 0.364 0.335 0.384 0.380 0.430 0.437 0.306 0.311 0.285 0.354
RMS PHI Viol : 0.307 0.311 0.055 0.198 0.121 0.109 0.340 0.093 0.198 0.191 0.323 0.322 0.243 0.315 0.218 0.137 0.406 0.236 0.084 0.143 0.239
RMS PSI Viol : 0.519 0.510 0.299 0.568 0.412 0.443 0.410 0.228 0.363 0.475 0.429 0.402 0.407 0.442 0.492 0.592 0.465 0.362 0.432 0.377 0.439
Final --global-- Summary for 20 models, 172 ACOs/model, 3440 ACOs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ. Viol. : 254.90
Summ. Sq. Viol. : 430.10
Max. Viol. : 4.245
Avg. Viol. : 0.07410
RMS Viol. : 0.35359
Std. Dev. Viol. : 0.34574
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 M 1 0.299 0.430 0.208 0.637
LYS M 2 0.597 0.694 0.314 0.861 0.578 0.211
LYS M 3 0.664 0.436 0.156 0.637 0.584 0.053
MET M 4 0.580 0.056 0.527 0.577 0.412
ALA M 5 0.281 0.196
GLU M 6 0.561 0.308 0.529 0.566 0.369
PHE M 7 0.729 0.584 0.713 0.808
THR M 8 0.943 0.964 0.118 8 8
PHE M 9 0.958 0.985 0.932 0.899 9 9
GLU M 10 0.969 0.975 0.359 0.538 0.263 10 10
ILE M 11 0.993 0.983 0.997 0.756 11 11
GLU M 12 0.988 0.972 0.572 0.533 0.371 12 12
GLU M 13 0.977 0.982 0.990 0.466 0.449 13 13
HIS M 14 0.978 0.973 0.222 0.223 14 14
LEU M 15 0.980 0.988 0.998 0.906 15 15
LEU M 16 0.979 0.962 0.381 0.948 16 16
THR M 17 0.987 0.981 0.998 17 17
LEU M 18 0.983 0.990 0.997 0.996 18 18
SER M 19 0.990 0.986 0.310 19 19
GLU M 20 0.970 0.970 0.721 0.770 0.209 20 20
ASN M 21 0.980 0.960 0.538 0.334 21 21
GLU M 22 0.745 0.527 0.580 0.206 0.192
LYS M 23 0.398 0.722 0.461 0.660 0.534 0.039
GLY M 24 0.771 0.818
TRP M 25 0.954 0.971 0.992 0.940 25 25
THR M 26 0.994 1.000 0.753 26 26
LYS M 27 0.992 0.997 0.915 0.872 0.516 0.378 27 27
GLU M 28 0.992 0.984 0.510 0.907 0.386 28 28
ILE M 29 0.990 0.995 0.999 1.000 29 29
ASN M 30 0.987 0.993 0.781 0.226 30 30
ARG M 31 0.984 0.981 0.927 0.976 0.495 0.693 0.998 31 31
VAL M 32 0.984 0.996 0.998 32 32
SER M 33 0.989 0.975 0.165 33 33
PHE M 34 0.977 0.963 0.996 0.800 34 34
ASN M 35 0.911 0.610 0.436 0.194
GLY M 36 0.589 0.153
ALA M 37 0.647 0.196
PRO M 38 0.961 0.706 0.937 0.885
ALA M 39 0.543 0.935
LYS M 40 0.972 0.985 0.591 0.481 0.433 0.500 40 40
PHE M 41 0.988 0.986 0.908 0.795 41 41
ASP M 42 0.985 0.993 0.796 0.262 42 42
ILE M 43 0.993 0.994 0.999 0.925 43 43
ARG M 44 0.983 0.967 0.406 0.840 0.299 0.667 0.998 44 44
ALA M 45 0.984 0.963 45 45
TRP M 46 0.969 0.977 0.552 0.214 46 46
SER M 47 0.875 0.800 0.133 47
PRO M 48 0.988 0.170 0.943 0.884
ASP M 49 0.216 0.176 0.514 0.333
HIS M 50 0.287 0.401 0.271 0.336
THR M 51 0.652 0.390 0.406
LYS M 52 0.775 0.433 0.563 0.931 0.565 0.197
MET M 53 0.726 0.487 0.537 0.382 0.703
GLY M 54 0.458 0.497
LYS M 55 0.592 0.751 0.639 0.571 0.706 0.209
GLY M 56 0.826 0.889 56
ILE M 57 0.976 0.996 0.999 0.872 57 57
THR M 58 0.998 0.993 0.704 58 58
LEU M 59 0.994 0.985 0.994 0.769 59 59
SER M 60 0.982 0.989 0.222 60 60
ASN M 61 0.997 0.993 0.114 0.415 61 61
GLU M 62 0.996 0.996 0.335 0.246 0.389 62 62
GLU M 63 0.999 0.997 0.995 0.793 0.885 63 63
PHE M 64 0.999 0.998 0.981 0.971 64 64
GLN M 65 0.999 0.998 0.821 0.389 0.275 65 65
THR M 66 0.999 0.999 0.999 66 66
MET M 67 0.996 0.995 0.854 0.773 0.842 67 67
VAL M 68 0.999 0.996 0.997 68 68
ASP M 69 0.996 0.995 0.691 0.688 69 69
ALA M 70 0.999 0.995 70 70
PHE M 71 0.995 0.986 0.997 0.980 71 71
LYS M 72 0.990 0.986 0.589 0.799 0.584 0.485 72 72
GLY M 73 0.969 0.846 73
ASN M 74 0.902 0.398 0.590 0.064
LEU M 75 0.195 0.356 0.927 0.985
GLU M 76 0.432 0.327 0.611 0.241 0.298
HIS M 77 0.846 0.512 0.193 0.143
HIS M 78 0.763 0.492 0.376 0.263
HIS M 79 0.582 0.307 0.433 0.334
HIS M 80 0.639 0.351 0.349 0.318
HIS M 81 0.589 0.430 0.307 0.100
HIS M 82 0.886 0.199 0.314 0.144
MET M 93 0.189 0.203 0.252 0.574 0.627
LYS M 94 0.585 0.290 0.593 0.741 0.437 0.141
LYS M 95 0.738 0.132 0.346 0.444 0.709 0.073
MET M 96 0.469 0.365 0.437 0.416 0.645
ALA M 97 0.507 0.444
GLU M 98 0.604 0.244 0.329 0.406 0.333
PHE M 99 0.564 0.503 0.623 0.528
THR M 100 0.942 0.974 0.237 100 100
PHE M 101 0.957 0.985 0.992 0.898 101 101
GLU M 102 0.960 0.972 0.482 0.291 0.225 102 102
ILE M 103 0.994 0.987 0.995 0.537 103 103
GLU M 104 0.988 0.977 0.647 0.612 0.406 104 104
GLU M 105 0.972 0.979 0.845 0.591 0.292 105 105
HIS M 106 0.980 0.972 0.283 0.280 106 106
LEU M 107 0.968 0.991 0.995 0.824 107 107
LEU M 108 0.973 0.963 0.454 0.477 108 108
THR M 109 0.987 0.977 0.998 109 109
LEU M 110 0.991 0.991 0.998 0.999 110 110
SER M 111 0.990 0.986 0.107 111 111
GLU M 112 0.971 0.967 0.549 0.731 0.353 112 112
ASN M 113 0.974 0.960 0.382 0.327 113 113
GLU M 114 0.676 0.421 0.561 0.224 0.512
LYS M 115 0.183 0.775 0.377 0.576 0.650 0.224
GLY M 116 0.790 0.886
TRP M 117 0.981 0.929 0.993 0.931 117 117
THR M 118 0.976 0.991 0.916 118 118
LYS M 119 0.985 0.998 0.953 0.786 0.703 0.380 119 119
GLU M 120 0.987 0.981 0.321 0.876 0.469 120 120
ILE M 121 0.989 0.990 0.997 0.999 121 121
ASN M 122 0.984 0.991 0.927 0.453 122 122
ARG M 123 0.981 0.992 0.827 0.978 0.385 0.720 0.999 123 123
VAL M 124 0.988 0.996 0.997 124 124
SER M 125 0.987 0.970 0.247 125 125
PHE M 126 0.981 0.974 0.998 0.898 126 126
ASN M 127 0.932 0.534 0.214 0.400
GLY M 128 0.539 0.192
ALA M 129 0.400 0.434
PRO M 130 0.973 0.675 0.946 0.897
ALA M 131 0.728 0.962
LYS M 132 0.983 0.990 0.831 0.569 0.800 0.431 132 132
PHE M 133 0.982 0.987 0.809 0.151 133 133
ASP M 134 0.981 0.984 0.572 0.340 134 134
ILE M 135 0.991 0.993 0.998 0.855 135 135
ARG M 136 0.975 0.965 0.283 0.779 0.199 0.734 0.998 136 136
ALA M 137 0.986 0.955 137 137
TRP M 138 0.994 0.975 0.572 0.102 138 138
SER M 139 0.883 0.987 0.391 139
PRO M 140 0.987 0.296 0.942 0.872
ASP M 141 0.506 0.268 0.475 0.263
HIS M 142 0.265 0.415 0.518 0.372
THR M 143 0.232 0.281 0.475
LYS M 144 0.555 0.264 0.842 0.734 0.845 0.083
MET M 145 0.565 0.357 0.482 0.581 0.386
GLY M 146 0.309 0.410
LYS M 147 0.514 0.661 0.702 0.668 0.778 0.355
GLY M 148 0.746 0.879
ILE M 149 0.983 0.997 0.997 0.997 149 149
THR M 150 0.996 0.993 0.761 150 150
LEU M 151 0.984 0.981 0.853 0.685 151 151
SER M 152 0.994 0.994 0.378 152 152
ASN M 153 0.996 0.986 0.112 0.413 153 153
GLU M 154 0.997 0.991 0.436 0.366 0.436 154 154
GLU M 155 0.998 0.994 0.813 0.750 0.560 155 155
PHE M 156 0.998 0.997 0.988 0.965 156 156
GLN M 157 0.998 0.996 0.796 0.399 0.119 157 157
THR M 158 0.999 0.998 0.998 158 158
MET M 159 0.996 0.994 0.831 0.609 0.795 159 159
VAL M 160 0.998 0.993 0.998 160 160
ASP M 161 0.995 0.996 0.771 0.412 161 161
ALA M 162 0.999 0.993 162 162
PHE M 163 0.994 0.982 0.995 0.994 163 163
LYS M 164 0.987 0.991 0.526 0.632 0.220 0.396 164 164
GLY M 165 0.979 0.851 165
ASN M 166 0.808 0.451 0.650 0.114
LEU M 167 0.381 0.175 0.650 0.939
GLU M 168 0.180 0.241 0.705 0.242 0.366
HIS M 169 0.384 0.514 0.285 0.163
HIS M 170 0.502 0.211 0.443 0.238
HIS M 171 0.571 0.396 0.492 0.316
HIS M 172 0.765 0.203 0.235 0.403
HIS M 173 0.452 0.378 0.273 0.365
HIS M 174 0.685 0.133 0.145
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 `SPR104_NMR_em_bcr3.pdb'
>
> Kabsch RMSD of backbone atoms in res. M[8..21],M[25..34],M[40..46],M[57..72],M[100..113],M[117..126],M[132..138],M[149..164],for model 1 is: 0.505
> Kabsch RMSD of backbone atoms in res. M[8..21],M[25..34],M[40..46],M[57..72],M[100..113],M[117..126],M[132..138],M[149..164],for model 2 is: 0.664
> Kabsch RMSD of backbone atoms in res. M[8..21],M[25..34],M[40..46],M[57..72],M[100..113],M[117..126],M[132..138],M[149..164],for model 3 is: 0.605
> Kabsch RMSD of backbone atoms in res. M[8..21],M[25..34],M[40..46],M[57..72],M[100..113],M[117..126],M[132..138],M[149..164],for model 4 is: 0.710
> Kabsch RMSD of backbone atoms in res. M[8..21],M[25..34],M[40..46],M[57..72],M[100..113],M[117..126],M[132..138],M[149..164],for model 5 is: 0.517
> Kabsch RMSD of backbone atoms in res. M[8..21],M[25..34],M[40..46],M[57..72],M[100..113],M[117..126],M[132..138],M[149..164],for model 6 is: 0.649
> Kabsch RMSD of backbone atoms in res. M[8..21],M[25..34],M[40..46],M[57..72],M[100..113],M[117..126],M[132..138],M[149..164],for model 7 is: 0.503
> Kabsch RMSD of backbone atoms in res. M[8..21],M[25..34],M[40..46],M[57..72],M[100..113],M[117..126],M[132..138],M[149..164],for model 8 is: 0.523
> Kabsch RMSD of backbone atoms in res. M[8..21],M[25..34],M[40..46],M[57..72],M[100..113],M[117..126],M[132..138],M[149..164],for model 9 is: 0.581
> Kabsch RMSD of backbone atoms in res. M[8..21],M[25..34],M[40..46],M[57..72],M[100..113],M[117..126],M[132..138],M[149..164],for model 10 is: 0.632
> Kabsch RMSD of backbone atoms in res. M[8..21],M[25..34],M[40..46],M[57..72],M[100..113],M[117..126],M[132..138],M[149..164],for model 11 is: 0.720
> Kabsch RMSD of backbone atoms in res. M[8..21],M[25..34],M[40..46],M[57..72],M[100..113],M[117..126],M[132..138],M[149..164],for model 12 is: 0.494 (*)
> Kabsch RMSD of backbone atoms in res. M[8..21],M[25..34],M[40..46],M[57..72],M[100..113],M[117..126],M[132..138],M[149..164],for model 13 is: 0.553
> Kabsch RMSD of backbone atoms in res. M[8..21],M[25..34],M[40..46],M[57..72],M[100..113],M[117..126],M[132..138],M[149..164],for model 14 is: 0.660
> Kabsch RMSD of backbone atoms in res. M[8..21],M[25..34],M[40..46],M[57..72],M[100..113],M[117..126],M[132..138],M[149..164],for model 15 is: 0.580
> Kabsch RMSD of backbone atoms in res. M[8..21],M[25..34],M[40..46],M[57..72],M[100..113],M[117..126],M[132..138],M[149..164],for model 16 is: 0.658
> Kabsch RMSD of backbone atoms in res. M[8..21],M[25..34],M[40..46],M[57..72],M[100..113],M[117..126],M[132..138],M[149..164],for model 17 is: 0.817
> Kabsch RMSD of backbone atoms in res. M[8..21],M[25..34],M[40..46],M[57..72],M[100..113],M[117..126],M[132..138],M[149..164],for model 18 is: 0.579
> Kabsch RMSD of backbone atoms in res. M[8..21],M[25..34],M[40..46],M[57..72],M[100..113],M[117..126],M[132..138],M[149..164],for model 19 is: 0.612
> Kabsch RMSD of backbone atoms in res. M[8..21],M[25..34],M[40..46],M[57..72],M[100..113],M[117..126],M[132..138],M[149..164],for model 20 is: 0.682
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[8..21],[25..34],[40..46],[57..72],[100..113],[117..126],[132..138],[149..164], is: 0.612
> Range of RMSD values to reference struct. is 0.494 to 0.817
> Kabsch RMSD of heavy atoms in res. M[8..21],M[25..34],M[40..46],M[57..72],M[100..113],M[117..126],M[132..138],M[149..164],for model 1 is: 1.080
> Kabsch RMSD of heavy atoms in res. M[8..21],M[25..34],M[40..46],M[57..72],M[100..113],M[117..126],M[132..138],M[149..164],for model 2 is: 1.111
> Kabsch RMSD of heavy atoms in res. M[8..21],M[25..34],M[40..46],M[57..72],M[100..113],M[117..126],M[132..138],M[149..164],for model 3 is: 1.140
> Kabsch RMSD of heavy atoms in res. M[8..21],M[25..34],M[40..46],M[57..72],M[100..113],M[117..126],M[132..138],M[149..164],for model 4 is: 1.115
> Kabsch RMSD of heavy atoms in res. M[8..21],M[25..34],M[40..46],M[57..72],M[100..113],M[117..126],M[132..138],M[149..164],for model 5 is: 1.010
> Kabsch RMSD of heavy atoms in res. M[8..21],M[25..34],M[40..46],M[57..72],M[100..113],M[117..126],M[132..138],M[149..164],for model 6 is: 1.167
> Kabsch RMSD of heavy atoms in res. M[8..21],M[25..34],M[40..46],M[57..72],M[100..113],M[117..126],M[132..138],M[149..164],for model 7 is: 0.939 (*)
> Kabsch RMSD of heavy atoms in res. M[8..21],M[25..34],M[40..46],M[57..72],M[100..113],M[117..126],M[132..138],M[149..164],for model 8 is: 0.992
> Kabsch RMSD of heavy atoms in res. M[8..21],M[25..34],M[40..46],M[57..72],M[100..113],M[117..126],M[132..138],M[149..164],for model 9 is: 1.162
> Kabsch RMSD of heavy atoms in res. M[8..21],M[25..34],M[40..46],M[57..72],M[100..113],M[117..126],M[132..138],M[149..164],for model 10 is: 1.119
> Kabsch RMSD of heavy atoms in res. M[8..21],M[25..34],M[40..46],M[57..72],M[100..113],M[117..126],M[132..138],M[149..164],for model 11 is: 1.164
> Kabsch RMSD of heavy atoms in res. M[8..21],M[25..34],M[40..46],M[57..72],M[100..113],M[117..126],M[132..138],M[149..164],for model 12 is: 1.000
> Kabsch RMSD of heavy atoms in res. M[8..21],M[25..34],M[40..46],M[57..72],M[100..113],M[117..126],M[132..138],M[149..164],for model 13 is: 1.099
> Kabsch RMSD of heavy atoms in res. M[8..21],M[25..34],M[40..46],M[57..72],M[100..113],M[117..126],M[132..138],M[149..164],for model 14 is: 1.085
> Kabsch RMSD of heavy atoms in res. M[8..21],M[25..34],M[40..46],M[57..72],M[100..113],M[117..126],M[132..138],M[149..164],for model 15 is: 1.089
> Kabsch RMSD of heavy atoms in res. M[8..21],M[25..34],M[40..46],M[57..72],M[100..113],M[117..126],M[132..138],M[149..164],for model 16 is: 1.258
> Kabsch RMSD of heavy atoms in res. M[8..21],M[25..34],M[40..46],M[57..72],M[100..113],M[117..126],M[132..138],M[149..164],for model 17 is: 1.367
> Kabsch RMSD of heavy atoms in res. M[8..21],M[25..34],M[40..46],M[57..72],M[100..113],M[117..126],M[132..138],M[149..164],for model 18 is: 1.046
> Kabsch RMSD of heavy atoms in res. M[8..21],M[25..34],M[40..46],M[57..72],M[100..113],M[117..126],M[132..138],M[149..164],for model 19 is: 1.223
> Kabsch RMSD of heavy atoms in res. M[8..21],M[25..34],M[40..46],M[57..72],M[100..113],M[117..126],M[132..138],M[149..164],for model 20 is: 1.161
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[8..21],[25..34],[40..46],[57..72],[100..113],[117..126],[132..138],[149..164], is: 1.116
> Range of RMSD values to reference struct. is 0.939 to 1.367
Text report of backbone RMSD for entire protein
> Kabsch RMSD of backb atoms in res. *[1..174],for model 1 is: 2.605
> Kabsch RMSD of backb atoms in res. *[1..174],for model 2 is: 2.417
> Kabsch RMSD of backb atoms in res. *[1..174],for model 3 is: 3.033
> Kabsch RMSD of backb atoms in res. *[1..174],for model 4 is: 2.560
> Kabsch RMSD of backb atoms in res. *[1..174],for model 5 is: 3.756
> Kabsch RMSD of backb atoms in res. *[1..174],for model 6 is: 3.052
> Kabsch RMSD of backb atoms in res. *[1..174],for model 7 is: 2.808
> Kabsch RMSD of backb atoms in res. *[1..174],for model 8 is: 2.540
> Kabsch RMSD of backb atoms in res. *[1..174],for model 9 is: 2.386
> Kabsch RMSD of backb atoms in res. *[1..174],for model 10 is: 2.627
> Kabsch RMSD of backb atoms in res. *[1..174],for model 11 is: 2.227 (*)
> Kabsch RMSD of backb atoms in res. *[1..174],for model 12 is: 2.585
> Kabsch RMSD of backb atoms in res. *[1..174],for model 13 is: 2.683
> Kabsch RMSD of backb atoms in res. *[1..174],for model 14 is: 2.709
> Kabsch RMSD of backb atoms in res. *[1..174],for model 15 is: 3.071
> Kabsch RMSD of backb atoms in res. *[1..174],for model 16 is: 2.696
> Kabsch RMSD of backb atoms in res. *[1..174],for model 17 is: 3.049
> Kabsch RMSD of backb atoms in res. *[1..174],for model 18 is: 2.902
> Kabsch RMSD of backb atoms in res. *[1..174],for model 19 is: 3.182
> Kabsch RMSD of backb atoms in res. *[1..174],for model 20 is: 3.128
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..174], is: 2.801
> Range of RMSD values to reference struct. is 2.227 to 3.756
Text report of heavy atom RMSD for entire protein
> Kabsch RMSD of heavy atoms in res. *[1..174],for model 1 is: 3.384
> Kabsch RMSD of heavy atoms in res. *[1..174],for model 2 is: 3.259
> Kabsch RMSD of heavy atoms in res. *[1..174],for model 3 is: 3.696
> Kabsch RMSD of heavy atoms in res. *[1..174],for model 4 is: 3.298
> Kabsch RMSD of heavy atoms in res. *[1..174],for model 5 is: 4.292
> Kabsch RMSD of heavy atoms in res. *[1..174],for model 6 is: 3.653
> Kabsch RMSD of heavy atoms in res. *[1..174],for model 7 is: 3.409
> Kabsch RMSD of heavy atoms in res. *[1..174],for model 8 is: 3.154
> Kabsch RMSD of heavy atoms in res. *[1..174],for model 9 is: 3.167
> Kabsch RMSD of heavy atoms in res. *[1..174],for model 10 is: 3.306
> Kabsch RMSD of heavy atoms in res. *[1..174],for model 11 is: 3.031 (*)
> Kabsch RMSD of heavy atoms in res. *[1..174],for model 12 is: 3.235
> Kabsch RMSD of heavy atoms in res. *[1..174],for model 13 is: 3.394
> Kabsch RMSD of heavy atoms in res. *[1..174],for model 14 is: 3.291
> Kabsch RMSD of heavy atoms in res. *[1..174],for model 15 is: 3.627
> Kabsch RMSD of heavy atoms in res. *[1..174],for model 16 is: 3.494
> Kabsch RMSD of heavy atoms in res. *[1..174],for model 17 is: 3.815
> Kabsch RMSD of heavy atoms in res. *[1..174],for model 18 is: 3.520
> Kabsch RMSD of heavy atoms in res. *[1..174],for model 19 is: 3.803
> Kabsch RMSD of heavy atoms in res. *[1..174],for model 20 is: 3.621
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..174], is: 3.472
> Range of RMSD values to reference struct. is 3.031 to 4.292
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 2.8 0.6 0.6
All heavy atoms 3.5 1.1 1.1
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 >>>----------+
| |
| SPR104_NMR_em_bcr3_020.rin 0.0 1940 residues |
| |
| Ramachandran plot: 92.6% core 7.4% allow 0.0% gener 0.0% disall |
| |
+| All Ramachandrans: 33 labelled residues (out of1940) |
+| Chi1-chi2 plots: 42 labelled residues (out of1400) |
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
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
8 -0.11
9 -0.18
10 -0.65
11 -1.18
12 -0.73
13 -0.78
14 -0.73
15 -1.48
16 -2.11
17 -0.58
18 -2.56
19 -0.87
20 -0.83
21 -0.51
25 -1.37
26 -0.14
27 -0.37
28 -1.43
29 0.24
30 -0.69
31 -0.55
32 0.31
33 -0.66
34 -0.66
40 -1.39
41 -0.33
42 -1.21
43 -0.43
44 -0.51
45 -1.17
46 -0.38
57 -0.97
58 -0.24
59 -0.40
60 -0.22
61 0.93
62 0.51
63 0.96
64 1.12
65 1.07
66 0.72
67 0.84
68 0.50
69 1.09
70 0.70
71 0.09
72 0.67
73 -1.23
100 0.01
101 -0.23
102 -0.66
103 -1.40
104 -0.65
105 -1.07
106 -0.68
107 -2.08
108 -1.87
109 -0.68
110 -1.94
111 -1.01
112 -0.91
113 -0.51
117 -1.35
118 -0.10
119 -0.43
120 -1.56
121 0.19
122 -0.66
123 -0.59
124 0.31
125 -0.71
126 -0.66
132 -1.16
133 -0.45
134 -1.00
135 -0.40
136 -0.67
137 -1.14
138 -0.42
139 -0.16
149 -0.78
150 -0.08
151 -0.46
152 -0.43
153 0.81
154 0.51
155 0.87
156 1.04
157 1.01
158 0.92
159 0.81
160 0.57
161 1.04
162 0.65
163 0.21
164 0.63
165 -1.23
#Reported_Model_Average -0.376
#Overall_Average_Reported -0.376
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
8 -0.36
9 -0.21
10 -0.29
11 -0.61
12 -0.50
13 -0.34
14 -0.59
15 -0.39
16 -2.18
17 -0.33
18 -0.92
19 -0.34
20 -0.55
21 -0.43
25 -0.84
26 -0.40
27 -0.07
28 -0.80
29 0.32
30 -1.09
31 0.06
32 0.36
33 -0.38
34 0.03
40 -0.58
41 -0.17
42 -1.17
43 -0.05
44 -0.19
45 -1.17
46 -0.24
57 -0.84
58 -0.42
59 -0.15
60 -0.19
61 0.05
62 0.18
63 0.56
64 -0.08
65 -0.02
66 0.60
67 -0.09
68 0.50
69 -0.19
70 0.70
71 -0.11
72 0.42
73 -1.23
100 -0.14
101 -0.28
102 -0.41
103 -1.05
104 -0.39
105 -0.50
106 -0.80
107 -0.78
108 -2.10
109 -0.35
110 -0.56
111 -0.47
112 -0.56
113 -0.69
117 -0.99
118 -0.21
119 -0.17
120 -0.83
121 0.30
122 -1.20
123 0.09
124 0.26
125 -0.46
126 0.02
132 -0.35
133 -0.42
134 -1.00
135 -0.14
136 -0.43
137 -1.14
138 -0.08
139 -0.22
149 -0.71
150 -0.33
151 -0.39
152 -0.31
153 0.09
154 0.23
155 0.52
156 -0.04
157 0.15
158 0.62
159 -0.27
160 0.62
161 -0.06
162 0.65
163 -0.24
164 0.29
165 -1.23
#Reported_Model_Average -0.322
#Overall_Average_Reported -0.322
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
8 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
9 -1.63 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84
10 0.04 0.28 0.04 0.28 0.28 0.04 0.04 0.04 0.28 0.04 0.04 0.28 0.28 0.04 0.04 0.04 0.04 0.04 0.28 0.28
11 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.54 -0.94 -0.94 -0.54 -0.54 -0.94 -0.94 0.81 -0.54 -0.94 -0.94 -0.94 0.81
12 0.28 0.28 0.28 0.28 -0.59 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
13 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
14 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 -0.41 0.20 0.20 0.20
15 1.06 0.77 0.77 1.06 0.77 0.77 1.06 0.77 1.06 1.06 0.77 1.06 1.06 0.77 1.06 1.06 1.06 0.77 0.77 1.06
16 0.77 0.29 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 -0.33 0.77 0.77 0.77 0.77 0.77
17 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
18 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
19 0.17 0.17 0.17 0.17 0.34 0.17 0.17 0.17 0.59 0.17 0.17 0.17 0.34 0.17 0.17 0.17 0.17 0.17 0.17 0.17
20 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
21 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.41 0.41 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
25 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12
26 0.55 0.55 0.08 0.55 0.55 0.55 0.55 0.08 0.55 0.08 0.55 0.08 0.08 0.55 0.55 0.55 0.08 0.55 0.08 0.55
27 0.08 -2.12 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 -2.12 0.08 0.08 0.08 0.08
28 -0.46 -0.46 -0.46 -0.46 -1.13 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -1.13 -1.13 -1.13 -0.46 -0.46 0.28 -1.13 -0.46 -1.13
29 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
30 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -2.61 0.09 -0.56 -0.56 -0.56 -0.56 -0.56 -2.61 -0.56 -0.56 -0.26 -0.26 -0.56 0.09
31 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71
32 0.66 0.66 -0.40 0.66 0.66 -0.09 0.66 -0.40 0.66 1.00 0.66 0.66 -0.40 0.66 0.66 0.66 0.66 -0.40 0.66 0.66
33 0.59 0.17 0.17 0.17 0.17 0.59 0.59 0.17 0.17 0.59 0.59 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.59 0.17
34 0.71 1.04 0.71 -0.84 0.71 -1.29 1.04 0.71 -1.29 0.71 0.71 0.71 -0.84 0.71 1.04 1.04 -0.84 0.71 0.71 0.71
40 0.08 0.47 0.47 0.47 0.47 0.08 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.08 0.47 0.08 0.47 0.08 0.47 0.47
41 1.04 1.04 0.71 1.04 1.04 1.04 1.04 1.04 1.40 1.04 1.04 1.04 1.04 1.04 1.04 1.04 1.40 1.04 1.04 1.40
42 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 -0.83 0.34 0.34 0.34 0.34 -0.83 -0.83 -0.83 0.34
43 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
44 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.24 -0.44 0.71 0.71 0.71 0.71
45 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 -0.25 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
46 1.12 -0.42 1.12 1.12 1.12 1.12 -0.42 1.12 1.12 1.12 1.12 1.12 1.12 -0.42 1.12 -0.42 1.12 1.12 1.12 1.12
57 0.81 0.81 0.93 0.81 0.81 0.93 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.93 0.81 0.93 0.81 0.81 0.81 0.81
58 0.55 0.08 0.55 0.55 0.08 0.08 0.08 0.55 0.55 0.55 0.08 0.55 0.55 0.55 0.55 0.08 0.55 0.08 0.55 0.55
59 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
60 0.17 0.17 0.17 0.17 0.17 0.17 0.59 0.17 0.17 0.17 0.17 0.59 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17
61 0.41 0.41 -0.26 0.41 0.41 0.51 0.51 0.51 0.41 0.41 0.51 0.41 0.41 0.41 0.51 0.51 0.41 0.41 0.51 0.51
62 0.04 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.04 0.04 0.04 0.04 0.28 0.28 0.04 0.04 0.04 0.28 0.04 0.28
63 -0.46 -1.13 -0.46 -0.46 -0.46 -1.13 -1.13 -0.46 -1.13 -0.46 -1.13 -0.46 -0.46 -1.13 -0.46 -0.46 -0.46 -0.46 -0.46 -1.13
64 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40
65 0.25 0.25 0.10 -0.57 0.25 -0.57 0.25 -0.57 0.25 0.25 0.25 -0.57 0.25 0.25 -0.57 -0.57 0.25 0.25 0.25 0.25
66 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
67 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91
68 1.00 1.00 0.66 0.66 1.00 1.00 1.00 1.00 1.00 0.66 -0.40 0.66 0.66 0.66 1.00 1.00 1.00 1.00 1.00 0.66
69 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.23 0.23 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
70 0.49 0.49 0.49 0.49 0.14 0.49 0.14 0.49 0.49 0.49 0.49 0.14 0.49 0.49 0.49 0.49 0.14 -0.25 0.49 0.14
71 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40
72 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.47 0.08 0.08 0.08 0.47 0.08 0.08 0.47 0.47 -2.12
73 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
100 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.55 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
101 -0.84 -0.84 -0.84 -0.84 -1.29 0.71 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 0.71 -0.84 -1.29 -0.84 -0.84 -0.84 -0.84 -0.84
102 0.04 0.28 0.28 0.04 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.28 0.04 0.28 0.28 0.28 0.28 0.04 0.28 0.04
103 -0.94 -0.94 -0.54 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.28 -0.94 -0.94 -0.94 -0.94 -0.28 -0.94 -0.94 -0.54 -0.94 -0.28
104 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 -0.59 0.28 0.28 -0.59 0.28 0.28 -0.59
105 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
106 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20
107 0.77 1.06 1.06 1.06 1.06 0.77 1.06 1.06 1.06 1.06 0.77 1.06 1.06 1.06 0.77 0.77 1.06 1.06 1.06 1.06
108 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 1.06 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77
109 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
110 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
111 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.34 0.17 0.59 0.17 0.34 0.17 0.34 0.17 0.17 0.17 0.17
112 0.28 0.28 0.04 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
113 0.51 0.41 0.51 0.51 0.41 0.51 0.51 0.51 0.51 0.51 0.51 0.41 0.51 0.41 0.51 0.51 0.51 0.51 0.51 0.51
117 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12
118 0.08 0.55 0.08 0.55 0.55 0.55 0.08 0.55 0.55 0.55 0.55 0.55 0.08 0.55 0.55 0.08 0.55 0.08 0.55 0.55
119 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 -2.12 0.08 0.08 -2.12 0.08 0.08 0.08 0.08 0.08 0.08
120 -0.46 -1.13 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -1.13 -1.13 -0.46 -0.46 -0.46 -0.46 -0.46 -1.13 -0.46 -0.46 -0.46
121 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
122 -0.56 -2.61 -0.56 -0.56 -0.56 -0.56 -0.56 -0.26 -0.56 -2.61 -2.61 0.09 -0.26 -0.56 -0.56 -0.56 -0.56 -0.56 -0.26 -0.56
123 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 -0.44 0.71 -0.44 0.71 0.71 0.71 0.71 0.71 0.71
124 0.66 0.66 0.66 0.66 0.66 -0.40 0.66 0.66 0.66 0.66 0.66 -0.40 0.66 0.66 0.66 0.66 0.66 0.66 -0.40 0.66
125 0.59 0.17 0.17 0.17 0.17 0.17 0.59 0.59 0.17 0.59 0.17 0.59 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17
126 0.71 -1.29 0.71 0.71 0.71 1.04 -0.84 1.04 -0.84 0.71 0.71 -0.84 0.71 0.71 0.71 0.71 -1.29 0.71 0.71 0.71
132 0.47 0.08 0.47 0.47 0.08 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.08 0.08 0.08 0.08 0.47 0.47 0.47
133 1.40 1.40 1.40 1.40 1.04 1.04 1.04 1.04 1.40 1.40 1.04 1.04 1.40 1.04 1.04 1.40 1.04 1.04 1.40 1.04
134 -1.97 0.34 0.34 -0.83 -1.97 -1.97 0.51 0.34 0.34 -0.83 -0.83 -0.83 -0.83 -2.63 0.34 0.34 0.34 -0.83 -1.97 0.34
135 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
136 0.71 0.71 0.71 0.71 0.71 -0.44 0.71 0.71 0.71 -0.44 0.71 0.71 0.71 0.71 0.24 0.71 0.71 0.71 0.71 -0.44
137 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 -0.25 0.49 0.49 0.49 -0.25 0.49 0.49 0.49
138 1.12 1.12 1.12 -0.42 1.12 1.12 1.12 1.12 -0.42 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 -0.42 1.12 1.12
139 0.17 0.59 0.17 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
149 0.81 0.81 0.81 0.81 0.93 0.93 0.81 0.81 0.93 0.93 0.93 0.81 0.81 0.93 0.81 0.81 0.81 0.81 0.81 0.93
150 0.08 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.08 0.55 0.55 0.55 0.08 0.55 0.08 0.55 0.55 0.55 0.55
151 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
152 0.17 0.17 0.17 0.17 0.59 0.17 0.17 0.17 0.17 0.17 0.17 0.59 0.17 0.59 0.17 0.17 0.17 0.17 0.17 0.17
153 -0.26 0.41 0.51 0.51 0.51 -0.26 0.51 0.41 0.41 0.41 0.41 0.51 0.51 0.51 0.51 0.51 0.51 0.41 0.51 0.41
154 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.28 0.04 0.04 0.28 0.28 0.04 0.28 0.28 0.28 0.28 0.04 0.04
155 -0.46 -1.13 -0.46 -1.13 -1.13 -1.13 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -1.13 -0.46
156 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40
157 0.25 0.25 -0.57 0.25 -0.57 0.25 -0.57 0.10 -0.57 -0.57 -0.57 0.25 0.25 0.25 0.10 0.25 -0.57 -0.57 -0.57 0.25
158 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
159 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91
160 1.00 0.66 1.00 0.66 1.00 0.66 1.00 1.00 1.00 0.66 0.66 0.66 1.00 0.66 1.00 1.00 0.66 1.00 1.00 1.00
161 0.23 0.51 0.51 0.23 0.51 0.51 0.51 0.23 0.23 0.51 0.23 0.51 0.51 0.51 0.51 0.23 0.23 0.51 0.23 0.51
162 -0.25 0.14 0.49 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14
163 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40
164 0.08 -2.12 0.08 -2.12 0.08 0.47 0.08 0.08 0.08 -2.78 -2.12 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.47
165 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
#Reported_Model_Average 0.398 0.322 0.417 0.371 0.392 0.366 0.396 0.446 0.401 0.363 0.340 0.395 0.419 0.318 0.449 0.387 0.367 0.378 0.402 0.435
#Overall_Average_Reported 0.388
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
8 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
9 -1.63 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84
10 0.04 0.28 0.04 0.28 0.28 0.04 0.04 0.04 0.28 0.04 0.04 0.28 0.28 0.04 0.04 0.04 0.04 0.04 0.28 0.28
11 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.54 -0.94 -0.94 -0.54 -0.54 -0.94 -0.94 0.81 -0.54 -0.94 -0.94 -0.94 0.81
12 0.28 0.28 0.28 0.28 -0.59 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
13 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
14 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 -0.41 0.20 0.20 0.20
15 1.06 0.77 0.77 1.06 0.77 0.77 1.06 0.77 1.06 1.06 0.77 1.06 1.06 0.77 1.06 1.06 1.06 0.77 0.77 1.06
16 0.77 0.29 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 -0.33 0.77 0.77 0.77 0.77 0.77
17 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
18 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
19 0.17 0.17 0.17 0.17 0.34 0.17 0.17 0.17 0.59 0.17 0.17 0.17 0.34 0.17 0.17 0.17 0.17 0.17 0.17 0.17
20 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
21 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.41 0.41 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
25 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12
26 0.55 0.55 0.08 0.55 0.55 0.55 0.55 0.08 0.55 0.08 0.55 0.08 0.08 0.55 0.55 0.55 0.08 0.55 0.08 0.55
27 0.08 -2.12 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 -2.12 0.08 0.08 0.08 0.08
28 -0.46 -0.46 -0.46 -0.46 -1.13 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -1.13 -1.13 -1.13 -0.46 -0.46 0.28 -1.13 -0.46 -1.13
29 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
30 -0.56 -0.56 -0.56 -0.56 -0.56 -0.56 -2.61 0.09 -0.56 -0.56 -0.56 -0.56 -0.56 -2.61 -0.56 -0.56 -0.26 -0.26 -0.56 0.09
31 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71
32 0.66 0.66 -0.40 0.66 0.66 -0.09 0.66 -0.40 0.66 1.00 0.66 0.66 -0.40 0.66 0.66 0.66 0.66 -0.40 0.66 0.66
33 0.59 0.17 0.17 0.17 0.17 0.59 0.59 0.17 0.17 0.59 0.59 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.59 0.17
34 0.71 1.04 0.71 -0.84 0.71 -1.29 1.04 0.71 -1.29 0.71 0.71 0.71 -0.84 0.71 1.04 1.04 -0.84 0.71 0.71 0.71
40 0.08 0.47 0.47 0.47 0.47 0.08 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.08 0.47 0.08 0.47 0.08 0.47 0.47
41 1.04 1.04 0.71 1.04 1.04 1.04 1.04 1.04 1.40 1.04 1.04 1.04 1.04 1.04 1.04 1.04 1.40 1.04 1.04 1.40
42 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 -0.83 0.34 0.34 0.34 0.34 -0.83 -0.83 -0.83 0.34
43 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
44 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.24 -0.44 0.71 0.71 0.71 0.71
45 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 -0.25 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
46 1.12 -0.42 1.12 1.12 1.12 1.12 -0.42 1.12 1.12 1.12 1.12 1.12 1.12 -0.42 1.12 -0.42 1.12 1.12 1.12 1.12
57 0.81 0.81 0.93 0.81 0.81 0.93 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.93 0.81 0.93 0.81 0.81 0.81 0.81
58 0.55 0.08 0.55 0.55 0.08 0.08 0.08 0.55 0.55 0.55 0.08 0.55 0.55 0.55 0.55 0.08 0.55 0.08 0.55 0.55
59 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
60 0.17 0.17 0.17 0.17 0.17 0.17 0.59 0.17 0.17 0.17 0.17 0.59 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17
61 0.41 0.41 -0.26 0.41 0.41 0.51 0.51 0.51 0.41 0.41 0.51 0.41 0.41 0.41 0.51 0.51 0.41 0.41 0.51 0.51
62 0.04 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.04 0.04 0.04 0.04 0.28 0.28 0.04 0.04 0.04 0.28 0.04 0.28
63 -0.46 -1.13 -0.46 -0.46 -0.46 -1.13 -1.13 -0.46 -1.13 -0.46 -1.13 -0.46 -0.46 -1.13 -0.46 -0.46 -0.46 -0.46 -0.46 -1.13
64 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40
65 0.25 0.25 0.10 -0.57 0.25 -0.57 0.25 -0.57 0.25 0.25 0.25 -0.57 0.25 0.25 -0.57 -0.57 0.25 0.25 0.25 0.25
66 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
67 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91
68 1.00 1.00 0.66 0.66 1.00 1.00 1.00 1.00 1.00 0.66 -0.40 0.66 0.66 0.66 1.00 1.00 1.00 1.00 1.00 0.66
69 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.23 0.23 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
70 0.49 0.49 0.49 0.49 0.14 0.49 0.14 0.49 0.49 0.49 0.49 0.14 0.49 0.49 0.49 0.49 0.14 -0.25 0.49 0.14
71 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40
72 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.47 0.08 0.08 0.08 0.47 0.08 0.08 0.47 0.47 -2.12
73 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
100 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.55 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
101 -0.84 -0.84 -0.84 -0.84 -1.29 0.71 -0.84 -0.84 -0.84 -0.84 -0.84 -0.84 0.71 -0.84 -1.29 -0.84 -0.84 -0.84 -0.84 -0.84
102 0.04 0.28 0.28 0.04 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.28 0.04 0.28 0.28 0.28 0.28 0.04 0.28 0.04
103 -0.94 -0.94 -0.54 -0.94 -0.94 -0.94 -0.94 -0.94 -0.94 -0.28 -0.94 -0.94 -0.94 -0.94 -0.28 -0.94 -0.94 -0.54 -0.94 -0.28
104 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 -0.59 0.28 0.28 -0.59 0.28 0.28 -0.59
105 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
106 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20
107 0.77 1.06 1.06 1.06 1.06 0.77 1.06 1.06 1.06 1.06 0.77 1.06 1.06 1.06 0.77 0.77 1.06 1.06 1.06 1.06
108 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 1.06 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77
109 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
110 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
111 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.34 0.17 0.59 0.17 0.34 0.17 0.34 0.17 0.17 0.17 0.17
112 0.28 0.28 0.04 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
113 0.51 0.41 0.51 0.51 0.41 0.51 0.51 0.51 0.51 0.51 0.51 0.41 0.51 0.41 0.51 0.51 0.51 0.51 0.51 0.51
117 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12
118 0.08 0.55 0.08 0.55 0.55 0.55 0.08 0.55 0.55 0.55 0.55 0.55 0.08 0.55 0.55 0.08 0.55 0.08 0.55 0.55
119 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 -2.12 0.08 0.08 -2.12 0.08 0.08 0.08 0.08 0.08 0.08
120 -0.46 -1.13 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -1.13 -1.13 -0.46 -0.46 -0.46 -0.46 -0.46 -1.13 -0.46 -0.46 -0.46
121 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
122 -0.56 -2.61 -0.56 -0.56 -0.56 -0.56 -0.56 -0.26 -0.56 -2.61 -2.61 0.09 -0.26 -0.56 -0.56 -0.56 -0.56 -0.56 -0.26 -0.56
123 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 -0.44 0.71 -0.44 0.71 0.71 0.71 0.71 0.71 0.71
124 0.66 0.66 0.66 0.66 0.66 -0.40 0.66 0.66 0.66 0.66 0.66 -0.40 0.66 0.66 0.66 0.66 0.66 0.66 -0.40 0.66
125 0.59 0.17 0.17 0.17 0.17 0.17 0.59 0.59 0.17 0.59 0.17 0.59 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17
126 0.71 -1.29 0.71 0.71 0.71 1.04 -0.84 1.04 -0.84 0.71 0.71 -0.84 0.71 0.71 0.71 0.71 -1.29 0.71 0.71 0.71
132 0.47 0.08 0.47 0.47 0.08 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.08 0.08 0.08 0.08 0.47 0.47 0.47
133 1.40 1.40 1.40 1.40 1.04 1.04 1.04 1.04 1.40 1.40 1.04 1.04 1.40 1.04 1.04 1.40 1.04 1.04 1.40 1.04
134 -1.97 0.34 0.34 -0.83 -1.97 -1.97 0.51 0.34 0.34 -0.83 -0.83 -0.83 -0.83 -2.63 0.34 0.34 0.34 -0.83 -1.97 0.34
135 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
136 0.71 0.71 0.71 0.71 0.71 -0.44 0.71 0.71 0.71 -0.44 0.71 0.71 0.71 0.71 0.24 0.71 0.71 0.71 0.71 -0.44
137 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 -0.25 0.49 0.49 0.49 -0.25 0.49 0.49 0.49
138 1.12 1.12 1.12 -0.42 1.12 1.12 1.12 1.12 -0.42 1.12 1.12 1.12 1.12 1.12 1.12 1.12 1.12 -0.42 1.12 1.12
139 0.17 0.59 0.17 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
149 0.81 0.81 0.81 0.81 0.93 0.93 0.81 0.81 0.93 0.93 0.93 0.81 0.81 0.93 0.81 0.81 0.81 0.81 0.81 0.93
150 0.08 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.08 0.55 0.55 0.55 0.08 0.55 0.08 0.55 0.55 0.55 0.55
151 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
152 0.17 0.17 0.17 0.17 0.59 0.17 0.17 0.17 0.17 0.17 0.17 0.59 0.17 0.59 0.17 0.17 0.17 0.17 0.17 0.17
153 -0.26 0.41 0.51 0.51 0.51 -0.26 0.51 0.41 0.41 0.41 0.41 0.51 0.51 0.51 0.51 0.51 0.51 0.41 0.51 0.41
154 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.28 0.04 0.04 0.28 0.28 0.04 0.28 0.28 0.28 0.28 0.04 0.04
155 -0.46 -1.13 -0.46 -1.13 -1.13 -1.13 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -1.13 -0.46
156 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40
157 0.25 0.25 -0.57 0.25 -0.57 0.25 -0.57 0.10 -0.57 -0.57 -0.57 0.25 0.25 0.25 0.10 0.25 -0.57 -0.57 -0.57 0.25
158 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
159 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91 0.91
160 1.00 0.66 1.00 0.66 1.00 0.66 1.00 1.00 1.00 0.66 0.66 0.66 1.00 0.66 1.00 1.00 0.66 1.00 1.00 1.00
161 0.23 0.51 0.51 0.23 0.51 0.51 0.51 0.23 0.23 0.51 0.23 0.51 0.51 0.51 0.51 0.23 0.23 0.51 0.23 0.51
162 -0.25 0.14 0.49 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14
163 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40
164 0.08 -2.12 0.08 -2.12 0.08 0.47 0.08 0.08 0.08 -2.78 -2.12 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.47
165 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
#Reported_Model_Average 0.398 0.322 0.417 0.371 0.392 0.366 0.396 0.446 0.401 0.363 0.340 0.395 0.419 0.318 0.449 0.387 0.367 0.378 0.402 0.435
#Overall_Average_Reported 0.388
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
8.000 0 1 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 1 0
9.000 0 0 0 0 1 0 1 1 2 2 0 0 1 0 2 1 0 1 0 0
10.000 0 1 0 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1
11.000 0 0 0 1 0 1 0 2 1 0 1 0 0 0 1 0 3 1 0 4
12.000 0 2 3 0 3 0 0 2 0 1 1 0 0 0 0 1 0 1 0 0
13.000 1 1 0 0 0 1 1 0 0 0 0 1 0 0 0 1 1 1 0 1
14.000 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1
15.000 3 2 0 1 2 2 2 0 2 3 1 0 2 0 2 2 3 1 0 1
16.000 1 0 3 0 1 0 4 4 1 1 0 3 1 4 0 3 3 1 2 3
17.000 2 1 0 0 0 1 0 0 0 3 0 0 3 3 1 0 3 2 3 0
18.000 1 0 0 5 1 4 0 1 0 4 0 1 0 1 2 1 7 0 3 2
19.000 0 1 0 0 1 0 0 0 0 2 0 0 0 0 1 1 1 0 0 0
20.000 0 1 0 0 1 0 0 3 0 0 0 1 1 0 1 1 0 0 1 1
21.000 0 1 3 0 1 1 0 2 0 0 0 0 0 1 0 0 0 0 1 0
25.000 1 1 2 0 2 2 0 0 0 1 1 1 0 0 2 1 1 0 4 2
26.000 0 2 0 1 1 0 0 1 1 0 1 3 1 0 1 2 0 0 0 1
27.000 0 2 1 3 1 3 1 0 0 7 1 0 0 2 1 5 4 1 1 0
28.000 2 1 0 1 0 1 1 0 0 3 0 0 3 4 1 1 4 2 5 2
29.000 3 3 3 3 3 3 3 2 2 3 3 3 1 3 3 2 4 1 3 4
30.000 2 1 4 0 0 0 0 2 4 0 2 0 4 1 0 0 1 0 0 0
31.000 2 1 4 0 4 3 3 1 1 1 1 3 0 2 0 3 1 2 2 4
32.000 1 1 0 1 0 1 2 0 2 1 1 0 0 0 1 1 1 1 0 2
33.000 1 1 0 2 2 0 1 2 2 1 1 1 4 0 1 0 0 2 3 1
34.000 2 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0
40.000 1 0 2 1 1 1 1 1 2 1 0 0 0 3 0 1 2 3 0 1
41.000 2 0 0 0 0 0 0 0 0 1 0 1 2 0 1 1 6 0 0 1
42.000 1 1 0 1 1 0 2 2 1 2 1 0 1 1 1 0 2 1 0 1
43.000 1 3 2 5 2 2 1 2 3 4 3 3 1 5 4 1 3 1 3 5
44.000 2 1 0 1 1 1 2 1 0 2 1 2 0 2 1 0 4 1 2 2
45.000 0 1 1 1 1 1 1 0 0 1 2 1 0 0 1 0 0 1 0 0
46.000 0 0 0 0 2 1 0 2 1 1 0 2 0 0 1 1 0 0 1 1
57.000 2 0 1 0 2 0 4 3 0 0 1 1 0 0 3 2 4 0 0 5
58.000 0 0 0 1 0 0 0 1 1 1 0 0 1 1 0 0 0 0 0 0
59.000 0 1 1 0 0 0 0 0 0 0 0 0 0 1 1 0 7 1 2 0
60.000 0 0 2 0 0 0 0 0 1 0 0 0 1 0 1 1 0 1 0 0
61.000 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 0 0 0
62.000 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 2 0
63.000 0 1 1 1 0 1 0 0 0 1 4 0 2 1 1 1 1 1 0 4
64.000 1 1 3 3 4 4 2 2 2 2 3 4 1 3 4 3 5 2 4 2
65.000 0 0 0 0 0 0 0 0 1 0 1 0 1 0 0 0 2 1 0 3
66.000 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0
67.000 1 1 2 1 2 3 1 1 1 2 2 2 2 1 2 2 1 2 2 3
68.000 3 5 5 1 5 2 1 2 4 6 4 2 4 3 3 4 3 4 1 2
69.000 0 0 1 1 2 0 1 0 0 2 0 2 0 0 0 0 0 0 0 0
70.000 0 0 0 1 1 0 0 1 0 2 2 1 0 0 0 2 0 2 2 1
71.000 3 5 2 1 2 1 0 3 1 6 0 2 3 0 1 4 3 1 6 1
72.000 2 1 4 3 4 3 2 2 3 4 5 5 2 1 2 3 5 5 5 6
73.000 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0
100.000 0 0 0 0 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0
101.000 0 2 1 0 0 1 0 0 0 0 1 1 1 0 0 1 0 0 2 0
102.000 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 1 0
103.000 0 2 1 0 2 0 0 1 3 1 0 0 0 0 3 2 0 3 2 1
104.000 0 0 0 2 1 0 0 1 0 0 0 0 1 0 0 1 2 0 1 0
105.000 0 0 1 0 0 1 0 0 0 0 0 0 1 1 1 1 0 1 0 0
106.000 0 0 0 2 0 0 0 0 0 1 0 0 0 0 0 0 0 0 2 0
107.000 1 2 2 1 3 1 1 2 1 3 0 1 1 1 2 0 1 2 6 2
108.000 2 0 0 2 2 1 0 5 1 3 3 1 2 0 0 4 0 3 2 2
109.000 0 2 2 2 0 1 0 0 0 3 0 2 1 2 1 0 0 0 1 1
110.000 0 1 0 0 0 0 0 0 0 1 1 0 2 1 2 2 2 3 1 3
111.000 0 1 1 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 1
112.000 0 0 0 0 1 0 0 0 0 1 1 1 1 1 0 0 2 1 0 0
113.000 0 0 1 1 1 0 1 0 2 0 1 0 2 1 0 1 0 0 0 0
117.000 0 0 1 3 2 0 0 0 0 0 0 0 1 1 0 2 1 2 1 1
118.000 0 0 0 1 1 0 0 0 1 1 1 2 2 1 1 0 5 1 0 1
119.000 0 1 0 3 4 1 1 1 3 0 5 2 2 1 4 1 0 2 1 3
120.000 1 3 2 3 0 1 1 1 1 4 0 2 2 2 1 0 0 0 1 2
121.000 1 3 3 4 3 2 5 4 2 2 1 4 5 2 1 5 3 2 5 6
122.000 0 1 0 2 0 3 0 5 0 6 0 4 2 0 0 0 4 2 5 0
123.000 3 0 2 1 3 2 2 2 3 1 2 2 2 4 3 2 0 1 2 0
124.000 1 2 1 0 0 1 0 1 1 1 0 0 1 0 1 0 0 2 2 1
125.000 0 1 2 1 0 1 1 0 0 2 2 3 0 0 0 2 0 1 1 0
126.000 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 1 0 0 0
132.000 2 0 1 1 1 3 1 0 1 0 1 1 0 0 3 1 1 0 1 0
133.000 0 0 3 0 2 2 0 3 1 0 1 0 2 1 2 5 0 3 3 2
134.000 0 1 0 0 0 2 0 0 1 0 1 4 0 0 0 1 1 2 0 0
135.000 0 1 3 3 3 1 3 4 2 1 2 1 1 1 1 2 2 1 2 5
136.000 4 1 0 0 2 3 3 0 0 0 2 2 0 0 1 0 2 2 0 1
137.000 1 0 0 3 2 1 0 0 1 0 1 1 1 0 0 0 0 0 1 0
138.000 0 0 0 1 1 1 0 0 1 0 0 0 0 0 1 0 5 0 1 2
139.000 1 1 1 1 2 2 2 1 0 0 0 3 0 0 0 0 0 0 2 2
149.000 0 2 1 6 2 1 3 0 1 5 1 0 1 2 3 0 1 1 3 2
150.000 0 0 0 0 0 2 0 0 1 0 0 2 0 0 0 1 1 0 0 0
151.000 0 1 0 2 0 3 0 0 0 0 0 0 0 2 0 6 3 0 1 0
152.000 1 0 0 2 0 2 0 1 0 1 0 0 0 0 2 0 2 0 0 1
153.000 0 0 2 0 0 0 0 1 0 0 0 0 2 0 1 0 0 2 0 1
154.000 0 0 0 0 0 0 0 0 0 0 0 2 2 0 0 0 0 2 0 0
155.000 0 1 0 4 2 6 0 1 2 3 0 0 0 0 5 2 4 0 3 2
156.000 2 1 3 5 0 3 2 2 3 3 3 3 2 2 0 4 3 1 2 2
157.000 1 0 0 2 0 0 4 0 2 0 2 0 0 0 0 0 1 0 5 0
158.000 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 0
159.000 4 0 1 4 1 1 2 2 3 2 1 2 3 2 0 2 4 2 1 2
160.000 4 6 2 2 4 4 2 3 3 5 3 2 5 4 3 4 4 2 5 3
161.000 0 2 0 0 1 0 0 1 0 0 0 1 5 0 0 1 2 0 0 1
162.000 0 1 1 0 0 0 1 1 1 0 0 1 0 1 0 1 1 0 0 1
163.000 1 3 2 1 1 1 2 0 4 1 1 1 1 2 2 2 4 1 0 0
164.000 2 5 2 5 2 3 0 4 2 12 5 2 8 1 2 3 3 4 9 5
165.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
#Reported_Model_Average 0.763 0.969 0.948 1.165 1.062 1.082 0.784 1.000 0.887 1.392 0.887 1.072 1.103 0.825 0.959 1.155 1.557 0.959 1.392 1.278
#Overall_Average_Reported 1.062
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2613:M 72 LYS 2HG :M 164 LYS 2HG : -0.977: 0
: 2613:M 72 LYS 2HG :M 164 LYS CG : -0.439: 0
: 2613:M 28 GLU 2HB :M 17 THR HA : -0.684: 0
: 2613:M 28 GLU CB :M 17 THR HA : -0.616: 0
: 2613:M 51 THR HA :M 47 SER 2HB : -0.662: 0
: 2613:M 47 SER 1HB :M 48 PRO 1HD : -0.531: 0
: 2613:M 136 ARG CB :M 148 GLY 2HA : -0.622: 0
: 2613:M 147 LYS O :M 57 ILE HB : -0.541: 0
: 2613:M 148 GLY 1HA :M 57 ILE 2HD1 : -0.468: 0
: 2613:M 148 GLY CA :M 136 ARG HA : -0.449: 0
: 2613:M 148 GLY 2HA :M 136 ARG 1HB : -0.434: 0
: 2613:M 148 GLY 2HA :M 136 ARG CG : -0.425: 0
: 2613:M 130 PRO 2HD :M 129 ALA N : -0.619: 0
: 2613:M 128 GLY C :M 130 PRO 2HD : -0.588: 0
: 2613:M 15 LEU 2HD1 :M 29 ILE 2HG2 : -0.595: 0
: 2613:M 41 PHE HE2 :M 61 ASN HA : -0.476: 0
: 2613:M 15 LEU 1HD1 :M 41 PHE HD1 : -0.439: 0
: 2613:M 43 ILE 3HG2 :M 29 ILE 1HG1 : -0.418: 0
: 2613:M 15 LEU 1HB :M 29 ILE O : -0.402: 0
: 2613:M 68 VAL 1HG2 :M 167 LEU 3HD2 : -0.593: 0
: 2613:M 167 LEU 2HB :M 68 VAL 1HG1 : -0.581: 0
: 2613:M 167 LEU CD2 :M 68 VAL 1HG2 : -0.418: 0
: 2613:M 16 LEU 1HD1 :M 159 MET HA : -0.588: 0
: 2613:M 75 LEU CD2 :M 160 VAL 1HG2 : -0.576: 0
: 2613:M 160 VAL 3HG1 :M 71 PHE 2HB : -0.526: 0
: 2613:M 159 MET 2HB :M 18 LEU CD2 : -0.453: 0
: 2613:M 71 PHE 2HB :M 160 VAL CG1 : -0.441: 0
: 2613:M 156 PHE HZ :M 71 PHE CZ : -0.429: 0
: 2613:M 156 PHE O :M 159 MET 1HG : -0.420: 0
: 2613:M 75 LEU H :M 74 ASN CG : -0.419: 0
: 2613:M 160 VAL N :M 159 MET 2HG : -0.415: 0
: 2613:M 157 GLN 1HE2 :M 75 LEU HG : -0.412: 0
: 2613:M 74 ASN C :M 76 GLU H : -0.405: 0
: 2613:M 37 ALA 3HB :M 38 PRO 2HD : -0.581: 0
: 2613:M 35 ASN 1HB :M 34 PHE O : -0.507: 0
: 2613:M 38 PRO 1HD :M 34 PHE O : -0.499: 0
: 2613:M 56 GLY 1HA :M 44 ARG HA : -0.578: 0
: 2613:M 44 ARG 1HB :M 42 ASP OD2 : -0.501: 0
: 2613:M 23 LYS 1HG :M 22 GLU 2HG : -0.572: 0
: 2613:M 22 GLU 2HG :M 23 LYS CG : -0.407: 0
: 2613:M 145 MET HA :M 139 SER OG : -0.557: 0
: 2613:M 131 ALA HA :M 124 VAL O : -0.543: 0
: 2613:M 121 ILE O :M 107 LEU 1HB : -0.536: 0
: 2613:M 132 LYS O :M 123 ARG HA : -0.534: 0
: 2613:M 132 LYS 1HD :M 152 SER HA : -0.466: 0
: 2613:M 123 ARG 1HH1 :M 123 ARG 1HD : -0.417: 0
: 2613:M 140 PRO 2HB :M 116 GLY 2HA : -0.521: 0
: 2613:M 39 ALA HA :M 32 VAL O : -0.511: 0
: 2613:M 33 SER HA :M 39 ALA HA : -0.453: 0
: 2613:M 64 PHE HZ :M 163 PHE CZ : -0.495: 0
: 2613:M 108 LEU O :M 120 GLU 1HB : -0.477: 0
: 2613:M 67 MET HA :M 108 LEU 3HD1 : -0.400: 0
: 2613:M 30 ASN C :M 30 ASN 2HD2 : -0.474: 0
: 2613:M 25 TRP HZ2 :M 52 LYS 1HD : -0.440: 0
: 2613:M 31 ARG HA :M 40 LYS O : -0.416: 0
: 2613:M 13 GLU CD :M 31 ARG 1HH2 : -0.405: 0
: 2613:M 146 GLY 2HA :M 137 ALA O : -0.405: 0
#sum2 ::21.81 clashscore : 21.81 clashscore B<40
#summary::2613 atoms:2613 atoms B<40:296319 potential dots:18520.0 A^2:57 bumps:57 bumps B<40:535 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2613:M 34 PHE 1HB :M 37 ALA 3HB : -0.898: 0
: 2613:M 17 THR 3HG2 :M 28 GLU 1HG : -0.894: 0
: 2613:M 75 LEU 3HD2 :M 160 VAL 1HG2 : -0.830: 0
: 2613:M 75 LEU CD2 :M 160 VAL 1HG2 : -0.571: 0
: 2613:M 75 LEU 3HD2 :M 160 VAL CG2 : -0.561: 0
: 2613:M 71 PHE HE2 :M 67 MET 2HG : -0.557: 0
: 2613:M 160 VAL 2HG2 :M 71 PHE 2HB : -0.557: 0
: 2613:M 160 VAL 2HG2 :M 71 PHE CB : -0.479: 0
: 2613:M 71 PHE 2HB :M 160 VAL CG2 : -0.478: 0
: 2613:M 156 PHE HZ :M 71 PHE CZ : -0.414: 0
: 2613:M 120 GLU 2HB :M 109 THR HA : -0.720: 0
: 2613:M 110 LEU HG :M 120 GLU HA : -0.606: 0
: 2613:M 120 GLU CB :M 109 THR HA : -0.555: 0
: 2613:M 8 THR H :M 35 ASN 1HB : -0.693: 0
: 2613:M 134 ASP OD2 :M 136 ARG 1HD : -0.645: 0
: 2613:M 72 LYS 2HG :M 164 LYS 2HG : -0.631: 0
: 2613:M 161 ASP HA :M 164 LYS 2HE : -0.580: 0
: 2613:M 76 GLU 1HG :M 164 LYS 1HE : -0.541: 0
: 2613:M 164 LYS 2HB :M 161 ASP O : -0.435: 0
: 2613:M 76 GLU 1HG :M 164 LYS CE : -0.418: 0
: 2613:M 43 ILE 2HG2 :M 149 ILE 3HD1 : -0.604: 0
: 2613:M 15 LEU 2HD1 :M 29 ILE 2HG2 : -0.553: 0
: 2613:M 147 LYS 2HD :M 55 LYS HA : -0.549: 0
: 2613:M 151 LEU CD2 :M 27 LYS 1HG : -0.517: 0
: 2613:M 43 ILE 3HD1 :M 29 ILE 3HG2 : -0.466: 0
: 2613:M 56 GLY O :M 147 LYS 1HD : -0.457: 0
: 2613:M 29 ILE O :M 15 LEU 1HB : -0.444: 0
: 2613:M 43 ILE O :M 56 GLY 1HA : -0.420: 0
: 2613:M 149 ILE 1HD1 :M 27 LYS 2HG : -0.412: 0
: 2613:M 10 GLU 1HB :M 33 SER 2HB : -0.595: 0
: 2613:M 163 PHE 2HB :M 68 VAL 3HG1 : -0.591: 0
: 2613:M 167 LEU 2HB :M 68 VAL 1HG1 : -0.577: 0
: 2613:M 166 ASN 2HB :M 163 PHE HA : -0.565: 0
: 2613:M 162 ALA O :M 166 ASN 1HB : -0.546: 0
: 2613:M 166 ASN C :M 166 ASN 2HD2 : -0.466: 0
: 2613:M 167 LEU 2HB :M 68 VAL 1HG2 : -0.429: 0
: 2613:M 68 VAL 1HG2 :M 167 LEU 3HD2 : -0.427: 0
: 2613:M 167 LEU 2HD2 :M 64 PHE HD2 : -0.414: 0
: 2613:M 163 PHE 2HB :M 68 VAL CG1 : -0.407: 0
: 2613:M 140 PRO 1HD :M 139 SER 1HB : -0.590: 0
: 2613:M 121 ILE 2HG2 :M 107 LEU 2HD1 : -0.566: 0
: 2613:M 121 ILE 1HG1 :M 135 ILE 1HG1 : -0.527: 0
: 2613:M 121 ILE O :M 107 LEU 1HB : -0.421: 0
: 2613:M 129 ALA 1HB :M 130 PRO 1HD : -0.557: 0
: 2613:M 124 VAL 2HG2 :M 103 ILE 1HG1 : -0.521: 0
: 2613:M 101 PHE HA :M 125 SER O : -0.501: 0
: 2613:M 101 PHE 1HB :M 124 VAL CG1 : -0.447: 0
: 2613:M 122 ASN 1HB :M 103 ILE 3HG2 : -0.414: 0
: 2613:M 79 HIS O :M 80 HIS 1HB : -0.517: 0
: 2613:M 79 HIS 2HB :M 78 HIS O : -0.441: 0
: 2613:M 39 ALA HA :M 32 VAL O : -0.516: 0
: 2613:M 12 GLU CD :M 12 GLU H : -0.497: 0
: 2613:M 63 GLU 1HG :M 111 SER 2HB : -0.486: 0
: 2613:M 155 GLU 1HG :M 19 SER 2HB : -0.471: 0
: 2613:M 26 THR O :M 45 ALA HA : -0.445: 0
: 2613:M 20 GLU HA :M 26 THR HA : -0.420: 0
: 2613:M 59 LEU CD2 :M 119 LYS 2HD : -0.429: 0
: 2613:M 44 ARG 1HH2 :M 42 ASP CG : -0.427: 0
: 2613:M 22 GLU 1HG :M 21 ASN ND2 : -0.417: 0
: 2613:M 25 TRP HZ2 :M 52 LYS 1HD : -0.416: 0
: 2613:M 31 ARG 1HH2 :M 13 GLU CD : -0.416: 0
: 2613:M 14 HIS HA :M 30 ASN OD1 : -0.400: 0
#sum2 ::23.73 clashscore : 23.73 clashscore B<40
#summary::2613 atoms:2613 atoms B<40:296304 potential dots:18520.0 A^2:62 bumps:62 bumps B<40:528.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2613:M 120 GLU CB :M 109 THR HA : -0.694: 0
: 2613:M 120 GLU 2HB :M 109 THR HA : -0.680: 0
: 2613:M 72 LYS 2HE :M 69 ASP HA : -0.689: 0
: 2613:M 167 LEU 2HD2 :M 68 VAL 1HG2 : -0.620: 0
: 2613:M 164 LYS HA :M 72 LYS 2HD : -0.611: 0
: 2613:M 75 LEU 3HD2 :M 160 VAL 1HG2 : -0.589: 0
: 2613:M 67 MET 1HG :M 64 PHE O : -0.566: 0
: 2613:M 164 LYS 2HG :M 72 LYS 1HB : -0.536: 0
: 2613:M 159 MET 2HG :M 156 PHE O : -0.504: 0
: 2613:M 59 LEU 1HB :M 64 PHE HD1 : -0.494: 0
: 2613:M 67 MET 1HB :M 71 PHE CE2 : -0.483: 0
: 2613:M 156 PHE O :M 160 VAL 3HG2 : -0.476: 0
: 2613:M 64 PHE O :M 68 VAL 3HG2 : -0.475: 0
: 2613:M 163 PHE 2HB :M 68 VAL 2HG2 : -0.468: 0
: 2613:M 167 LEU 3HD2 :M 167 LEU O : -0.452: 0
: 2613:M 156 PHE HZ :M 71 PHE CZ : -0.438: 0
: 2613:M 68 VAL 3HG1 :M 163 PHE O : -0.436: 0
: 2613:M 72 LYS 1HG :M 68 VAL O : -0.418: 0
: 2613:M 147 LYS 2HB :M 56 GLY O : -0.640: 0
: 2613:M 144 LYS O :M 139 SER 2HB : -0.628: 0
: 2613:M 133 PHE HE2 :M 153 ASN HA : -0.601: 0
: 2613:M 121 ILE 1HG1 :M 135 ILE 1HG1 : -0.523: 0
: 2613:M 133 PHE CE2 :M 153 ASN HA : -0.507: 0
: 2613:M 107 LEU 1HD1 :M 133 PHE HD1 : -0.487: 0
: 2613:M 121 ILE 2HG2 :M 107 LEU 2HD1 : -0.481: 0
: 2613:M 135 ILE 3HG2 :M 121 ILE 1HG1 : -0.481: 0
: 2613:M 57 ILE 3HD1 :M 135 ILE 2HG2 : -0.404: 0
: 2613:M 27 LYS 2HG :M 45 ALA 2HB : -0.600: 0
: 2613:M 43 ILE 3HG2 :M 29 ILE 1HG1 : -0.585: 0
: 2613:M 16 LEU 2HD1 :M 29 ILE 2HD1 : -0.548: 0
: 2613:M 29 ILE HB :M 16 LEU 1HB : -0.489: 0
: 2613:M 43 ILE 2HG2 :M 149 ILE 3HD1 : -0.475: 0
: 2613:M 162 ALA 3HB :M 16 LEU 1HD1 : -0.469: 0
: 2613:M 124 VAL 2HG2 :M 103 ILE 1HG1 : -0.576: 0
: 2613:M 105 GLU 2HB :M 123 ARG 1HB : -0.565: 0
: 2613:M 132 LYS O :M 123 ARG HA : -0.492: 0
: 2613:M 60 SER HA :M 40 LYS 1HE : -0.556: 0
: 2613:M 60 SER HA :M 40 LYS CE : -0.428: 0
: 2613:M 4 MET N :M 3 LYS 2HG : -0.545: 0
: 2613:M 4 MET H :M 3 LYS 2HG : -0.426: 0
: 2613:M 31 ARG 2HB :M 39 ALA 1HB : -0.536: 0
: 2613:M 12 GLU 2HG :M 39 ALA 2HB : -0.490: 0
: 2613:M 31 ARG 1HB :M 12 GLU 1HB : -0.452: 0
: 2613:M 31 ARG 1HH1 :M 31 ARG 1HD : -0.412: 0
: 2613:M 12 GLU 2HG :M 39 ALA CB : -0.406: 0
: 2613:M 131 ALA HA :M 125 SER HA : -0.517: 0
: 2613:M 101 PHE HA :M 125 SER O : -0.427: 0
: 2613:M 25 TRP 1HB :M 21 ASN 1HB : -0.510: 0
: 2613:M 25 TRP CZ2 :M 52 LYS 1HG : -0.481: 0
: 2613:M 21 ASN N :M 21 ASN 2HD2 : -0.417: 0
: 2613:M 117 TRP 1HB :M 113 ASN 1HB : -0.508: 0
: 2613:M 127 ASN OD1 :M 99 PHE HA : -0.485: 0
: 2613:M 127 ASN 1HD2 :M 99 PHE HD1 : -0.412: 0
: 2613:M 7 PHE HA :M 35 ASN OD1 : -0.468: 0
: 2613:M 63 GLU 1HG :M 111 SER 2HB : -0.443: 0
: 2613:M 30 ASN H :M 30 ASN 2HD2 : -0.423: 0
: 2613:M 30 ASN 2HD2 :M 30 ASN N : -0.412: 0
: 2613:M 38 PRO 2HD :M 37 ALA HA : -0.415: 0
#sum2 ::22.20 clashscore : 22.20 clashscore B<40
#summary::2613 atoms:2613 atoms B<40:296610 potential dots:18540.0 A^2:58 bumps:58 bumps B<40:519.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2613:M 155 GLU 1HB :M 18 LEU 2HB : -0.875: 0
: 2613:M 69 ASP O :M 72 LYS 2HB : -0.592: 0
: 2613:M 156 PHE O :M 160 VAL 3HG2 : -0.587: 0
: 2613:M 160 VAL O :M 164 LYS 1HG : -0.565: 0
: 2613:M 135 ILE 3HG2 :M 121 ILE 1HG1 : -0.557: 0
: 2613:M 135 ILE 3HD1 :M 121 ILE 3HG2 : -0.523: 0
: 2613:M 121 ILE 2HG2 :M 107 LEU 2HD1 : -0.505: 0
: 2613:M 164 LYS O :M 168 GLU 2HB : -0.502: 0
: 2613:M 164 LYS 1HE :M 72 LYS 1HB : -0.488: 0
: 2613:M 157 GLN 1HE2 :M 75 LEU 2HB : -0.462: 0
: 2613:M 159 MET 1HB :M 163 PHE CE2 : -0.447: 0
: 2613:M 75 LEU 2HD2 :M 156 PHE HD2 : -0.446: 0
: 2613:M 18 LEU 2HB :M 155 GLU CB : -0.437: 0
: 2613:M 152 SER 1HB :M 155 GLU OE1 : -0.428: 0
: 2613:M 72 LYS O :M 76 GLU 2HB : -0.424: 0
: 2613:M 159 MET 2HG :M 156 PHE O : -0.423: 0
: 2613:M 156 PHE 1HB :M 152 SER O : -0.420: 0
: 2613:M 159 MET 2HB :M 18 LEU 1HD2 : -0.415: 0
: 2613:M 159 MET 2HB :M 18 LEU CD2 : -0.412: 0
: 2613:M 156 PHE HE1 :M 135 ILE 1HD1 : -0.411: 0
: 2613:M 18 LEU H :M 28 GLU HA : -0.410: 0
: 2613:M 75 LEU 2HB :M 157 GLN NE2 : -0.406: 0
: 2613:M 158 THR HB :M 155 GLU O : -0.405: 0
: 2613:M 164 LYS HA :M 164 LYS 2HD : -0.401: 0
: 2613:M 121 ILE 1HG2 :M 71 PHE HZ : -0.400: 0
: 2613:M 4 MET 2HG :M 6 GLU H : -0.763: 0
: 2613:M 149 ILE HA :M 55 LYS 1HE : -0.709: 0
: 2613:M 43 ILE 2HG2 :M 149 ILE 3HD1 : -0.611: 0
: 2613:M 27 LYS 2HD :M 151 LEU 3HD2 : -0.601: 0
: 2613:M 149 ILE HA :M 55 LYS 2HB : -0.561: 0
: 2613:M 43 ILE 3HG2 :M 29 ILE 1HG1 : -0.556: 0
: 2613:M 15 LEU 2HD1 :M 29 ILE 2HG2 : -0.536: 0
: 2613:M 43 ILE O :M 56 GLY 1HA : -0.536: 0
: 2613:M 149 ILE 1HD1 :M 27 LYS 2HG : -0.510: 0
: 2613:M 151 LEU CD2 :M 27 LYS 2HD : -0.496: 0
: 2613:M 148 GLY O :M 55 LYS 2HB : -0.475: 0
: 2613:M 55 LYS 1HE :M 149 ILE CA : -0.423: 0
: 2613:M 149 ILE 1HG2 :M 43 ILE 2HG2 : -0.414: 0
: 2613:M 43 ILE 1HG1 :M 29 ILE 1HG1 : -0.408: 0
: 2613:M 120 GLU CB :M 109 THR HA : -0.700: 0
: 2613:M 120 GLU 2HB :M 109 THR HA : -0.684: 0
: 2613:M 108 LEU O :M 120 GLU 1HB : -0.490: 0
: 2613:M 108 LEU 3HD1 :M 70 ALA CB : -0.460: 0
: 2613:M 141 ASP CG :M 142 HIS H : -0.653: 0
: 2613:M 141 ASP CG :M 142 HIS N : -0.412: 0
: 2613:M 33 SER HA :M 39 ALA HA : -0.607: 0
: 2613:M 33 SER OG :M 10 GLU 1HB : -0.440: 0
: 2613:M 37 ALA N :M 38 PRO 1HD : -0.602: 0
: 2613:M 37 ALA H :M 38 PRO 1HD : -0.549: 0
: 2613:M 167 LEU 1HD2 :M 64 PHE HD2 : -0.568: 0
: 2613:M 67 MET 2HG :M 64 PHE O : -0.565: 0
: 2613:M 64 PHE O :M 68 VAL 3HG2 : -0.550: 0
: 2613:M 131 ALA 2HB :M 104 GLU 2HG : -0.561: 0
: 2613:M 104 GLU CG :M 125 SER 2HB : -0.430: 0
: 2613:M 138 TRP CE2 :M 118 THR HB : -0.551: 0
: 2613:M 117 TRP 1HB :M 113 ASN 1HB : -0.532: 0
: 2613:M 144 LYS 1HD :M 117 TRP CZ2 : -0.527: 0
: 2613:M 117 TRP HZ2 :M 144 LYS 1HD : -0.436: 0
: 2613:M 137 ALA 2HB :M 119 LYS 2HG : -0.526: 0
: 2613:M 137 ALA 2HB :M 119 LYS CG : -0.472: 0
: 2613:M 137 ALA HA :M 119 LYS HA : -0.416: 0
: 2613:M 44 ARG 1HB :M 42 ASP OD2 : -0.498: 0
: 2613:M 139 SER OG :M 140 PRO 1HD : -0.482: 0
: 2613:M 132 LYS O :M 123 ARG HA : -0.469: 0
: 2613:M 106 HIS HA :M 122 ASN HA : -0.454: 0
: 2613:M 106 HIS HA :M 122 ASN CB : -0.422: 0
: 2613:M 26 THR O :M 45 ALA HA : -0.445: 0
: 2613:M 11 ILE 1HG1 :M 32 VAL 2HG2 : -0.431: 0
: 2613:M 66 THR HB :M 63 GLU O : -0.430: 0
: 2613:M 58 THR HB :M 40 LYS 1HG : -0.430: 0
#sum2 ::26.79 clashscore : 26.79 clashscore B<40
#summary::2613 atoms:2613 atoms B<40:296307 potential dots:18520.0 A^2:70 bumps:70 bumps B<40:521.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2613:M 160 VAL 1HG1 :M 75 LEU 2HB : -0.760: 0
: 2613:M 160 VAL 3HG1 :M 71 PHE 2HB : -0.627: 0
: 2613:M 75 LEU 3HD2 :M 160 VAL 1HG2 : -0.453: 0
: 2613:M 71 PHE 2HB :M 160 VAL CG1 : -0.449: 0
: 2613:M 148 GLY 2HA :M 136 ARG 2HB : -0.745: 0
: 2613:M 136 ARG CB :M 148 GLY 2HA : -0.580: 0
: 2613:M 38 PRO 2HD :M 37 ALA N : -0.690: 0
: 2613:M 33 SER O :M 9 PHE HA : -0.483: 0
: 2613:M 37 ALA N :M 38 PRO CD : -0.464: 0
: 2613:M 36 GLY C :M 38 PRO 2HD : -0.451: 0
: 2613:M 33 SER 2HB :M 37 ALA HA : -0.438: 0
: 2613:M 167 LEU 1HD2 :M 64 PHE HD2 : -0.678: 0
: 2613:M 167 LEU 2HD2 :M 68 VAL 1HG2 : -0.607: 0
: 2613:M 68 VAL 2HG1 :M 72 LYS 2HE : -0.592: 0
: 2613:M 108 LEU 1HD1 :M 67 MET HA : -0.556: 0
: 2613:M 72 LYS 1HG :M 69 ASP HA : -0.549: 0
: 2613:M 64 PHE O :M 68 VAL 3HG2 : -0.544: 0
: 2613:M 67 MET 1HG :M 64 PHE O : -0.532: 0
: 2613:M 72 LYS CE :M 68 VAL 2HG1 : -0.475: 0
: 2613:M 72 LYS 1HG :M 69 ASP O : -0.467: 0
: 2613:M 167 LEU 1HD2 :M 64 PHE CD2 : -0.459: 0
: 2613:M 108 LEU 3HD1 :M 70 ALA CB : -0.449: 0
: 2613:M 163 PHE 2HB :M 68 VAL 2HG2 : -0.407: 0
: 2613:M 131 ALA 2HB :M 104 GLU 2HG : -0.674: 0
: 2613:M 131 ALA 1HB :M 123 ARG 2HB : -0.646: 0
: 2613:M 131 ALA 3HB :M 123 ARG 1HH1 : -0.602: 0
: 2613:M 132 LYS O :M 123 ARG HA : -0.448: 0
: 2613:M 12 GLU 2HG :M 39 ALA 2HB : -0.594: 0
: 2613:M 31 ARG 2HD :M 39 ALA 1HB : -0.547: 0
: 2613:M 31 ARG CB :M 12 GLU 1HB : -0.457: 0
: 2613:M 31 ARG 1HB :M 12 GLU 1HB : -0.436: 0
: 2613:M 31 ARG HA :M 40 LYS O : -0.417: 0
: 2613:M 155 GLU OE2 :M 19 SER 1HB : -0.569: 0
: 2613:M 155 GLU 2HB :M 18 LEU 2HB : -0.496: 0
: 2613:M 161 ASP HA :M 164 LYS 2HE : -0.560: 0
: 2613:M 76 GLU 2HB :M 164 LYS 1HE : -0.551: 0
: 2613:M 135 ILE 3HG2 :M 121 ILE 1HG1 : -0.559: 0
: 2613:M 57 ILE 1HD1 :M 119 LYS 1HD : -0.546: 0
: 2613:M 121 ILE 2HG2 :M 107 LEU 2HD1 : -0.515: 0
: 2613:M 119 LYS 2HD :M 137 ALA 2HB : -0.467: 0
: 2613:M 107 LEU 1HD1 :M 133 PHE HD1 : -0.433: 0
: 2613:M 133 PHE CD1 :M 107 LEU 1HD1 : -0.424: 0
: 2613:M 121 ILE 3HG2 :M 135 ILE 1HG1 : -0.421: 0
: 2613:M 137 ALA HA :M 118 THR O : -0.421: 0
: 2613:M 135 ILE 2HG2 :M 57 ILE 1HG1 : -0.420: 0
: 2613:M 119 LYS 1HB :M 119 LYS NZ : -0.417: 0
: 2613:M 45 ALA 2HB :M 27 LYS 1HG : -0.558: 0
: 2613:M 42 ASP OD1 :M 44 ARG 1HB : -0.548: 0
: 2613:M 25 TRP HA :M 46 TRP O : -0.536: 0
: 2613:M 25 TRP 1HB :M 21 ASN O : -0.457: 0
: 2613:M 47 SER O :M 46 TRP HE3 : -0.434: 0
: 2613:M 20 GLU HA :M 26 THR HA : -0.535: 0
: 2613:M 117 TRP HA :M 138 TRP O : -0.523: 0
: 2613:M 56 GLY 1HA :M 149 ILE HB : -0.523: 0
: 2613:M 15 LEU 2HD1 :M 29 ILE 2HG2 : -0.502: 0
: 2613:M 43 ILE 1HG1 :M 29 ILE 1HG1 : -0.501: 0
: 2613:M 113 ASN O :M 117 TRP 1HB : -0.440: 0
: 2613:M 29 ILE O :M 15 LEU 1HB : -0.415: 0
: 2613:M 43 ILE 2HG2 :M 149 ILE 3HD1 : -0.415: 0
: 2613:M 116 GLY 2HA :M 140 PRO 2HG : -0.509: 0
: 2613:M 16 LEU 3HD1 :M 159 MET HA : -0.504: 0
: 2613:M 144 LYS 1HB :M 139 SER CB : -0.469: 0
: 2613:M 144 LYS 1HB :M 139 SER 2HB : -0.460: 0
: 2613:M 103 ILE N :M 103 ILE 2HD1 : -0.446: 0
: 2613:M 112 GLU OE1 :M 115 LYS HA : -0.410: 0
: 2613:M 99 PHE 1HB :M 127 ASN 2HD2 : -0.407: 0
#sum2 ::25.26 clashscore : 25.26 clashscore B<40
#summary::2613 atoms:2613 atoms B<40:296221 potential dots:18510.0 A^2:66 bumps:66 bumps B<40:524.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2613:M 72 LYS 2HG :M 164 LYS 2HG : -0.889: 0
: 2613:M 72 LYS 2HG :M 164 LYS CG : -0.453: 0
: 2613:M 164 LYS 2HG :M 72 LYS CG : -0.427: 0
: 2613:M 44 ARG 1HG :M 56 GLY 2HA : -0.856: 0
: 2613:M 56 GLY 1HA :M 149 ILE HB : -0.541: 0
: 2613:M 156 PHE HD1 :M 151 LEU 1HD2 : -0.834: 0
: 2613:M 132 LYS 2HE :M 132 LYS HA : -0.796: 0
: 2613:M 75 LEU 3HD2 :M 160 VAL 1HG2 : -0.746: 0
: 2613:M 155 GLU 1HG :M 27 LYS 1HD : -0.645: 0
: 2613:M 160 VAL 2HG2 :M 71 PHE 2HB : -0.641: 0
: 2613:M 152 SER HA :M 132 LYS 1HE : -0.571: 0
: 2613:M 156 PHE O :M 160 VAL 3HG2 : -0.528: 0
: 2613:M 27 LYS 1HE :M 151 LEU CB : -0.518: 0
: 2613:M 155 GLU 1HB :M 151 LEU 3HD2 : -0.507: 0
: 2613:M 155 GLU 2HB :M 18 LEU 3HD1 : -0.502: 0
: 2613:M 155 GLU 2HB :M 18 LEU 2HB : -0.501: 0
: 2613:M 18 LEU 2HD1 :M 27 LYS 1HG : -0.494: 0
: 2613:M 152 SER 1HB :M 155 GLU OE1 : -0.464: 0
: 2613:M 75 LEU 2HD2 :M 156 PHE HD2 : -0.432: 0
: 2613:M 160 VAL 1HG2 :M 75 LEU CD2 : -0.403: 0
: 2613:M 18 LEU 2HB :M 155 GLU CB : -0.400: 0
: 2613:M 102 GLU 1HB :M 125 SER 1HB : -0.769: 0
: 2613:M 150 THR 2HG2 :M 134 ASP 2HB : -0.704: 0
: 2613:M 150 THR 2HG2 :M 134 ASP CB : -0.406: 0
: 2613:M 17 THR 3HG2 :M 28 GLU 1HG : -0.683: 0
: 2613:M 93 MET O :M 99 PHE HA : -0.632: 0
: 2613:M 99 PHE CD2 :M 100 THR 3HG2 : -0.414: 0
: 2613:M 93 MET SD :M 93 MET N : -0.413: 0
: 2613:M 100 THR O :M 126 PHE HA : -0.400: 0
: 2613:M 15 LEU 2HD1 :M 29 ILE 2HG2 : -0.614: 0
: 2613:M 167 LEU 2HD2 :M 68 VAL 1HG2 : -0.588: 0
: 2613:M 67 MET 1HG :M 64 PHE O : -0.557: 0
: 2613:M 43 ILE 3HG2 :M 29 ILE 1HG1 : -0.533: 0
: 2613:M 64 PHE O :M 68 VAL 3HG2 : -0.492: 0
: 2613:M 167 LEU 1HD2 :M 64 PHE HD2 : -0.478: 0
: 2613:M 108 LEU 3HD1 :M 67 MET HA : -0.471: 0
: 2613:M 64 PHE HD2 :M 167 LEU CD2 : -0.458: 0
: 2613:M 169 HIS H :M 167 LEU C : -0.419: 0
: 2613:M 43 ILE 1HD1 :M 67 MET 1HE : -0.417: 0
: 2613:M 29 ILE O :M 15 LEU 1HB : -0.411: 0
: 2613:M 31 ARG 1HB :M 13 GLU 2HB : -0.582: 0
: 2613:M 31 ARG 2HB :M 39 ALA 1HB : -0.546: 0
: 2613:M 31 ARG HA :M 40 LYS O : -0.525: 0
: 2613:M 38 PRO 1HD :M 37 ALA 1HB : -0.470: 0
: 2613:M 39 ALA H :M 37 ALA C : -0.413: 0
: 2613:M 148 GLY 2HA :M 136 ARG 2HB : -0.575: 0
: 2613:M 136 ARG 1HD :M 136 ARG C : -0.416: 0
: 2613:M 95 LYS 1HD :M 95 LYS N : -0.560: 0
: 2613:M 96 MET 1HB :M 95 LYS O : -0.402: 0
: 2613:M 50 HIS H :M 49 ASP CG : -0.554: 0
: 2613:M 11 ILE 1HG1 :M 32 VAL 2HG2 : -0.524: 0
: 2613:M 135 ILE 3HG2 :M 121 ILE 1HG1 : -0.511: 0
: 2613:M 121 ILE 2HG2 :M 107 LEU 2HD1 : -0.428: 0
: 2613:M 129 ALA 1HB :M 130 PRO 1HD : -0.498: 0
: 2613:M 129 ALA 1HB :M 130 PRO CD : -0.426: 0
: 2613:M 123 ARG 2HD :M 133 PHE CE2 : -0.496: 0
: 2613:M 133 PHE HA :M 123 ARG 1HG : -0.407: 0
: 2613:M 109 THR HA :M 120 GLU 1HG : -0.495: 0
: 2613:M 25 TRP HA :M 46 TRP O : -0.487: 0
: 2613:M 25 TRP 1HB :M 21 ASN O : -0.451: 0
: 2613:M 124 VAL 1HG1 :M 101 PHE 1HB : -0.485: 0
: 2613:M 122 ASN 1HB :M 105 GLU O : -0.479: 0
: 2613:M 122 ASN N :M 122 ASN 2HD2 : -0.477: 0
: 2613:M 143 THR HA :M 138 TRP 1HB : -0.476: 0
: 2613:M 63 GLU 1HG :M 111 SER 2HB : -0.474: 0
: 2613:M 139 SER 2HB :M 144 LYS CB : -0.463: 0
: 2613:M 144 LYS 1HB :M 139 SER 2HB : -0.412: 0
: 2613:M 137 ALA HA :M 119 LYS HA : -0.446: 0
: 2613:M 159 MET 1HB :M 163 PHE CE2 : -0.439: 0
: 2613:M 45 ALA O :M 54 GLY 2HA : -0.437: 0
: 2613:M 3 LYS HA :M 3 LYS 1HD : -0.437: 0
: 2613:M 3 LYS 1HD :M 6 GLU OE2 : -0.413: 0
: 2613:M 140 PRO O :M 141 ASP 1HB : -0.428: 0
#sum2 ::27.94 clashscore : 27.94 clashscore B<40
#summary::2613 atoms:2613 atoms B<40:296687 potential dots:18540.0 A^2:73 bumps:73 bumps B<40:542.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2613:M 139 SER 2HB :M 143 THR HA : -0.848: 0
: 2613:M 143 THR HA :M 139 SER CB : -0.425: 0
: 2613:M 32 VAL CG1 :M 9 PHE 1HB : -0.640: 0
: 2613:M 31 ARG 1HB :M 13 GLU 2HB : -0.604: 0
: 2613:M 31 ARG 2HB :M 39 ALA 1HB : -0.604: 0
: 2613:M 39 ALA HA :M 32 VAL O : -0.479: 0
: 2613:M 31 ARG HA :M 40 LYS O : -0.407: 0
: 2613:M 43 ILE 2HG2 :M 149 ILE 3HD1 : -0.613: 0
: 2613:M 148 GLY 1HA :M 57 ILE HB : -0.580: 0
: 2613:M 57 ILE 2HD1 :M 136 ARG HA : -0.571: 0
: 2613:M 56 GLY 1HA :M 149 ILE HB : -0.570: 0
: 2613:M 57 ILE 1HD1 :M 119 LYS CD : -0.469: 0
: 2613:M 57 ILE 2HG2 :M 149 ILE 2HG2 : -0.443: 0
: 2613:M 136 ARG CB :M 148 GLY 2HA : -0.434: 0
: 2613:M 148 GLY 2HA :M 136 ARG 2HB : -0.424: 0
: 2613:M 68 VAL 1HG2 :M 167 LEU 3HD2 : -0.589: 0
: 2613:M 121 ILE 1HG1 :M 135 ILE 1HG1 : -0.586: 0
: 2613:M 135 ILE 3HG2 :M 121 ILE 1HG1 : -0.467: 0
: 2613:M 121 ILE 3HG2 :M 135 ILE 1HG1 : -0.451: 0
: 2613:M 121 ILE N :M 120 GLU 1HG : -0.449: 0
: 2613:M 121 ILE 2HG2 :M 107 LEU 2HD1 : -0.415: 0
: 2613:M 75 LEU 3HD2 :M 160 VAL 1HG2 : -0.574: 0
: 2613:M 75 LEU HG :M 157 GLN NE2 : -0.567: 0
: 2613:M 156 PHE O :M 159 MET 1HG : -0.501: 0
: 2613:M 75 LEU O :M 75 LEU HG : -0.492: 0
: 2613:M 156 PHE O :M 160 VAL 3HG2 : -0.484: 0
: 2613:M 157 GLN HA :M 157 GLN 2HE2 : -0.482: 0
: 2613:M 15 LEU 2HD1 :M 29 ILE 2HG2 : -0.466: 0
: 2613:M 28 GLU 1HB :M 16 LEU O : -0.439: 0
: 2613:M 16 LEU CD1 :M 159 MET HA : -0.437: 0
: 2613:M 16 LEU 2HD1 :M 29 ILE 2HD1 : -0.432: 0
: 2613:M 29 ILE O :M 15 LEU 1HB : -0.418: 0
: 2613:M 157 GLN 1HE2 :M 75 LEU HG : -0.408: 0
: 2613:M 162 ALA 1HB :M 16 LEU 1HD2 : -0.400: 0
: 2613:M 36 GLY C :M 38 PRO 2HD : -0.557: 0
: 2613:M 38 PRO 2HD :M 37 ALA N : -0.526: 0
: 2613:M 33 SER 1HB :M 37 ALA HA : -0.525: 0
: 2613:M 69 ASP O :M 72 LYS 2HG : -0.534: 0
: 2613:M 73 GLY N :M 72 LYS 2HD : -0.460: 0
: 2613:M 131 ALA 1HB :M 123 ARG 2HB : -0.529: 0
: 2613:M 132 LYS O :M 123 ARG HA : -0.445: 0
: 2613:M 42 ASP OD1 :M 44 ARG 1HD : -0.502: 0
: 2613:M 44 ARG 2HB :M 42 ASP OD1 : -0.411: 0
: 2613:M 64 PHE HZ :M 163 PHE CZ : -0.497: 0
: 2613:M 67 MET 1HG :M 64 PHE O : -0.447: 0
: 2613:M 166 ASN 2HB :M 163 PHE HA : -0.423: 0
: 2613:M 5 ALA O :M 34 PHE 2HB : -0.450: 0
: 2613:M 114 GLU 1HG :M 113 ASN OD1 : -0.441: 0
: 2613:M 45 ALA HA :M 27 LYS HA : -0.425: 0
: 2613:M 125 SER 1HB :M 128 GLY O : -0.421: 0
: 2613:M 47 SER 1HB :M 48 PRO 1HD : -0.420: 0
: 2613:M 4 MET HA :M 7 PHE HE2 : -0.413: 0
#sum2 ::19.90 clashscore : 19.90 clashscore B<40
#summary::2613 atoms:2613 atoms B<40:296567 potential dots:18540.0 A^2:52 bumps:52 bumps B<40:585.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2613:M 164 LYS 1HE :M 72 LYS 2HG : -0.772: 0
: 2613:M 164 LYS 2HG :M 161 ASP O : -0.564: 0
: 2613:M 76 GLU 2HB :M 164 LYS 2HE : -0.533: 0
: 2613:M 72 LYS 2HG :M 164 LYS 1HB : -0.417: 0
: 2613:M 57 ILE 3HD1 :M 135 ILE 2HG2 : -0.722: 0
: 2613:M 123 ARG 1HG :M 131 ALA 1HB : -0.667: 0
: 2613:M 121 ILE 2HG2 :M 107 LEU 2HD1 : -0.618: 0
: 2613:M 153 ASN HA :M 133 PHE HE1 : -0.591: 0
: 2613:M 135 ILE 3HG2 :M 121 ILE 1HG1 : -0.558: 0
: 2613:M 57 ILE 1HD1 :M 119 LYS 1HD : -0.510: 0
: 2613:M 148 GLY 1HA :M 57 ILE HB : -0.489: 0
: 2613:M 123 ARG 2HD :M 133 PHE CE2 : -0.486: 0
: 2613:M 121 ILE 3HG2 :M 135 ILE 1HG1 : -0.484: 0
: 2613:M 131 ALA HA :M 124 VAL O : -0.467: 0
: 2613:M 121 ILE 1HG1 :M 135 ILE 1HG1 : -0.464: 0
: 2613:M 107 LEU 1HD1 :M 133 PHE HD2 : -0.450: 0
: 2613:M 131 ALA 2HB :M 104 GLU OE1 : -0.425: 0
: 2613:M 70 ALA CB :M 108 LEU HG : -0.677: 0
: 2613:M 100 THR HB :M 127 ASN HA : -0.677: 0
: 2613:M 120 GLU 2HG :M 108 LEU O : -0.489: 0
: 2613:M 108 LEU 2HD2 :M 108 LEU C : -0.468: 0
: 2613:M 66 THR 2HG2 :M 108 LEU 1HD2 : -0.436: 0
: 2613:M 94 LYS 2HD :M 94 LYS H : -0.639: 0
: 2613:M 12 GLU 2HG :M 39 ALA 2HB : -0.625: 0
: 2613:M 12 GLU CG :M 33 SER 2HB : -0.546: 0
: 2613:M 33 SER O :M 9 PHE HA : -0.445: 0
: 2613:M 162 ALA 3HB :M 16 LEU 1HD1 : -0.622: 0
: 2613:M 16 LEU 2HD2 :M 18 LEU 3HD2 : -0.562: 0
: 2613:M 16 LEU CD1 :M 159 MET HA : -0.490: 0
: 2613:M 16 LEU 3HD1 :M 159 MET HA : -0.485: 0
: 2613:M 142 HIS O :M 139 SER 2HB : -0.565: 0
: 2613:M 23 LYS 2HE :M 23 LYS C : -0.558: 0
: 2613:M 20 GLU HA :M 26 THR HA : -0.530: 0
: 2613:M 23 LYS 2HE :M 23 LYS O : -0.473: 0
: 2613:M 20 GLU OE2 :M 23 LYS HA : -0.433: 0
: 2613:M 24 GLY H :M 20 GLU 1HG : -0.409: 0
: 2613:M 30 ASN N :M 30 ASN 2HD2 : -0.553: 0
: 2613:M 122 ASN H :M 122 ASN 2HD2 : -0.551: 0
: 2613:M 122 ASN OD1 :M 103 ILE 2HD1 : -0.451: 0
: 2613:M 122 ASN 2HD2 :M 122 ASN N : -0.400: 0
: 2613:M 160 VAL 1HG1 :M 75 LEU 2HB : -0.537: 0
: 2613:M 74 ASN 2HB :M 71 PHE HA : -0.509: 0
: 2613:M 75 LEU 2HD2 :M 156 PHE HD2 : -0.506: 0
: 2613:M 75 LEU CD2 :M 156 PHE HD2 : -0.479: 0
: 2613:M 75 LEU O :M 75 LEU HG : -0.465: 0
: 2613:M 160 VAL 3HG1 :M 71 PHE 2HB : -0.455: 0
: 2613:M 71 PHE 2HB :M 160 VAL CG1 : -0.410: 0
: 2613:M 152 SER 2HB :M 155 GLU 2HG : -0.525: 0
: 2613:M 43 ILE 3HG2 :M 29 ILE 1HG1 : -0.524: 0
: 2613:M 43 ILE 1HG1 :M 29 ILE 1HG1 : -0.482: 0
: 2613:M 67 MET 1HG :M 64 PHE O : -0.513: 0
: 2613:M 68 VAL 1HG2 :M 167 LEU 3HD2 : -0.497: 0
: 2613:M 64 PHE O :M 68 VAL 3HG2 : -0.431: 0
: 2613:M 44 ARG 1HB :M 42 ASP OD2 : -0.509: 0
: 2613:M 42 ASP HA :M 58 THR HA : -0.402: 0
: 2613:M 62 GLU H :M 62 GLU CD : -0.499: 0
: 2613:M 11 ILE 1HD1 :M 46 TRP HZ2 : -0.489: 0
: 2613:M 46 TRP CZ2 :M 11 ILE 1HD1 : -0.466: 0
: 2613:M 5 ALA H :M 4 MET 1HG : -0.475: 0
: 2613:M 31 ARG HA :M 40 LYS O : -0.466: 0
: 2613:M 21 ASN 2HD2 :M 21 ASN N : -0.445: 0
: 2613:M 35 ASN CG :M 36 GLY H : -0.431: 0
#sum2 ::23.73 clashscore : 23.73 clashscore B<40
#summary::2613 atoms:2613 atoms B<40:296479 potential dots:18530.0 A^2:62 bumps:62 bumps B<40:513.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2613:M 29 ILE 2HG2 :M 15 LEU 3HD2 : -0.763: 0
: 2613:M 43 ILE 2HG2 :M 149 ILE 3HD1 : -0.732: 0
: 2613:M 159 MET 1HB :M 163 PHE CE2 : -0.626: 0
: 2613:M 68 VAL 1HG2 :M 167 LEU 3HD2 : -0.602: 0
: 2613:M 156 PHE O :M 160 VAL 3HG2 : -0.567: 0
: 2613:M 43 ILE 3HG2 :M 29 ILE 1HG1 : -0.563: 0
: 2613:M 75 LEU 3HD2 :M 160 VAL 1HG2 : -0.545: 0
: 2613:M 74 ASN O :M 75 LEU 2HB : -0.538: 0
: 2613:M 67 MET 1HG :M 64 PHE O : -0.534: 0
: 2613:M 43 ILE O :M 56 GLY 1HA : -0.533: 0
: 2613:M 156 PHE O :M 159 MET 1HG : -0.520: 0
: 2613:M 163 PHE HE2 :M 159 MET 1HB : -0.505: 0
: 2613:M 75 LEU CD2 :M 160 VAL 1HG2 : -0.490: 0
: 2613:M 64 PHE O :M 68 VAL 3HG2 : -0.487: 0
: 2613:M 163 PHE HE1 :M 15 LEU HG : -0.481: 0
: 2613:M 163 PHE 2HB :M 68 VAL 2HG2 : -0.470: 0
: 2613:M 167 LEU 2HB :M 68 VAL 1HG1 : -0.460: 0
: 2613:M 167 LEU HG :M 65 GLN 1HG : -0.410: 0
: 2613:M 156 PHE HZ :M 71 PHE CZ : -0.404: 0
: 2613:M 168 GLU 1HG :M 72 LYS 2HE : -0.664: 0
: 2613:M 72 LYS 2HG :M 164 LYS 2HG : -0.595: 0
: 2613:M 72 LYS CG :M 164 LYS 2HG : -0.460: 0
: 2613:M 119 LYS 2HD :M 137 ALA 2HB : -0.605: 0
: 2613:M 119 LYS 2HE :M 119 LYS 1HB : -0.426: 0
: 2613:M 132 LYS O :M 123 ARG HA : -0.582: 0
: 2613:M 123 ARG 2HD :M 123 ARG 1HH1 : -0.400: 0
: 2613:M 103 ILE 2HG1 :M 124 VAL 2HG2 : -0.581: 0
: 2613:M 103 ILE N :M 103 ILE 2HD1 : -0.441: 0
: 2613:M 42 ASP 1HB :M 58 THR 2HG2 : -0.571: 0
: 2613:M 142 HIS 2HB :M 144 LYS 1HE : -0.570: 0
: 2613:M 60 SER HA :M 40 LYS 1HD : -0.570: 0
: 2613:M 31 ARG HA :M 40 LYS O : -0.517: 0
: 2613:M 11 ILE 1HG1 :M 32 VAL 2HG2 : -0.562: 0
: 2613:M 33 SER 1HB :M 36 GLY O : -0.541: 0
: 2613:M 33 SER O :M 9 PHE HA : -0.526: 0
: 2613:M 32 VAL CG1 :M 9 PHE 1HB : -0.437: 0
: 2613:M 30 ASN N :M 30 ASN 2HD2 : -0.503: 0
: 2613:M 30 ASN H :M 30 ASN 2HD2 : -0.476: 0
: 2613:M 113 ASN N :M 113 ASN 2HD2 : -0.490: 0
: 2613:M 26 THR HB :M 46 TRP CE2 : -0.469: 0
: 2613:M 120 GLU 2HG :M 108 LEU O : -0.467: 0
: 2613:M 135 ILE 3HG2 :M 121 ILE 1HG1 : -0.466: 0
: 2613:M 121 ILE 1HG1 :M 135 ILE 1HG1 : -0.421: 0
: 2613:M 150 THR HA :M 134 ASP HA : -0.451: 0
: 2613:M 37 ALA N :M 38 PRO 1HD : -0.448: 0
: 2613:M 37 ALA 3HB :M 38 PRO 2HD : -0.430: 0
: 2613:M 155 GLU H :M 155 GLU 2HG : -0.434: 0
: 2613:M 138 TRP CE2 :M 118 THR HB : -0.427: 0
: 2613:M 107 LEU 1HD1 :M 133 PHE HD1 : -0.426: 0
: 2613:M 16 LEU 3HD1 :M 162 ALA 2HB : -0.421: 0
: 2613:M 157 GLN HA :M 157 GLN 2HE2 : -0.411: 0
: 2613:M 3 LYS 1HG :M 1 MET 2HB : -0.407: 0
#sum2 ::19.90 clashscore : 19.90 clashscore B<40
#summary::2613 atoms:2613 atoms B<40:296632 potential dots:18540.0 A^2:52 bumps:52 bumps B<40:572.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2613:M 72 LYS 1HE :M 69 ASP HA : -0.925: 0
: 2613:M 160 VAL O :M 164 LYS 1HG : -0.787: 0
: 2613:M 121 ILE 1HG1 :M 135 ILE 1HG1 : -0.666: 0
: 2613:M 107 LEU 3HD2 :M 121 ILE 2HG2 : -0.644: 0
: 2613:M 64 PHE O :M 68 VAL 3HG2 : -0.635: 0
: 2613:M 75 LEU 3HD2 :M 160 VAL 1HG2 : -0.607: 0
: 2613:M 72 LYS HA :M 164 LYS 2HG : -0.605: 0
: 2613:M 68 VAL 1HG2 :M 167 LEU 3HD2 : -0.604: 0
: 2613:M 164 LYS 2HE :M 71 PHE 1HB : -0.585: 0
: 2613:M 68 VAL HA :M 164 LYS NZ : -0.565: 0
: 2613:M 68 VAL O :M 164 LYS 1HD : -0.565: 0
: 2613:M 67 MET 2HG :M 64 PHE O : -0.562: 0
: 2613:M 156 PHE O :M 160 VAL 3HG2 : -0.543: 0
: 2613:M 16 LEU 1HD1 :M 159 MET HA : -0.530: 0
: 2613:M 159 MET 2HG :M 156 PHE O : -0.528: 0
: 2613:M 68 VAL CG2 :M 167 LEU 3HD2 : -0.506: 0
: 2613:M 71 PHE CE1 :M 156 PHE HZ : -0.503: 0
: 2613:M 68 VAL HA :M 164 LYS 3HZ : -0.499: 0
: 2613:M 106 HIS HA :M 122 ASN HA : -0.497: 0
: 2613:M 164 LYS 1HE :M 160 VAL HA : -0.494: 0
: 2613:M 74 ASN 2HB :M 71 PHE HA : -0.487: 0
: 2613:M 67 MET 1HB :M 71 PHE CE2 : -0.478: 0
: 2613:M 74 ASN O :M 75 LEU 2HB : -0.475: 0
: 2613:M 164 LYS CE :M 71 PHE 1HB : -0.475: 0
: 2613:M 69 ASP HA :M 72 LYS CE : -0.458: 0
: 2613:M 107 LEU 2HD2 :M 122 ASN HA : -0.453: 0
: 2613:M 122 ASN H :M 122 ASN 2HD2 : -0.447: 0
: 2613:M 164 LYS 1HE :M 160 VAL O : -0.447: 0
: 2613:M 164 LYS 2HD :M 164 LYS N : -0.443: 0
: 2613:M 107 LEU HG :M 71 PHE HE1 : -0.432: 0
: 2613:M 164 LYS 1HD :M 72 LYS 1HB : -0.408: 0
: 2613:M 122 ASN N :M 122 ASN 2HD2 : -0.406: 0
: 2613:M 55 LYS 2HG :M 149 ILE HA : -0.916: 0
: 2613:M 149 ILE 2HG1 :M 55 LYS 2HB : -0.796: 0
: 2613:M 43 ILE 2HG2 :M 149 ILE 3HD1 : -0.699: 0
: 2613:M 55 LYS CG :M 149 ILE HA : -0.689: 0
: 2613:M 43 ILE 3HG2 :M 29 ILE 1HG1 : -0.573: 0
: 2613:M 15 LEU 2HD1 :M 29 ILE 2HG2 : -0.540: 0
: 2613:M 43 ILE 1HG1 :M 29 ILE 3HG2 : -0.462: 0
: 2613:M 15 LEU 1HD1 :M 41 PHE HD1 : -0.423: 0
: 2613:M 15 LEU 3HD1 :M 163 PHE HE1 : -0.401: 0
: 2613:M 149 ILE 3HD1 :M 43 ILE CG2 : -0.401: 0
: 2613:M 48 PRO 2HD :M 47 SER 2HB : -0.847: 0
: 2613:M 24 GLY O :M 47 SER 2HB : -0.496: 0
: 2613:M 24 GLY O :M 25 TRP HD1 : -0.427: 0
: 2613:M 3 LYS HA :M 3 LYS 1HE : -0.770: 0
: 2613:M 3 LYS HA :M 3 LYS CE : -0.561: 0
: 2613:M 152 SER 2HB :M 155 GLU 2HG : -0.763: 0
: 2613:M 19 SER HG :M 155 GLU 1HG : -0.462: 0
: 2613:M 19 SER OG :M 155 GLU 1HG : -0.438: 0
: 2613:M 120 GLU CB :M 109 THR HA : -0.654: 0
: 2613:M 108 LEU O :M 120 GLU 1HB : -0.562: 0
: 2613:M 109 THR HA :M 120 GLU 1HB : -0.550: 0
: 2613:M 108 LEU 3HD1 :M 70 ALA 2HB : -0.490: 0
: 2613:M 108 LEU 3HD1 :M 70 ALA CB : -0.440: 0
: 2613:M 109 THR HA :M 120 GLU 2HB : -0.426: 0
: 2613:M 38 PRO 2HD :M 37 ALA N : -0.644: 0
: 2613:M 37 ALA N :M 38 PRO CD : -0.451: 0
: 2613:M 38 PRO 2HD :M 36 GLY C : -0.408: 0
: 2613:M 28 GLU 2HB :M 17 THR HA : -0.642: 0
: 2613:M 28 GLU CB :M 17 THR HA : -0.598: 0
: 2613:M 28 GLU 2HB :M 17 THR 3HG2 : -0.476: 0
: 2613:M 12 GLU 2HG :M 39 ALA 2HB : -0.612: 0
: 2613:M 31 ARG HA :M 40 LYS O : -0.597: 0
: 2613:M 129 ALA 1HB :M 130 PRO 1HD : -0.592: 0
: 2613:M 112 GLU HA :M 118 THR HA : -0.589: 0
: 2613:M 18 LEU 2HD1 :M 27 LYS 1HD : -0.564: 0
: 2613:M 18 LEU 2HD1 :M 27 LYS CD : -0.546: 0
: 2613:M 18 LEU 2HD1 :M 27 LYS CE : -0.470: 0
: 2613:M 27 LYS 1HE :M 27 LYS 2HB : -0.448: 0
: 2613:M 27 LYS 2HE :M 18 LEU 2HD1 : -0.440: 0
: 2613:M 45 ALA HA :M 27 LYS HA : -0.421: 0
: 2613:M 56 GLY 2HA :M 44 ARG 2HG : -0.552: 0
: 2613:M 42 ASP HA :M 58 THR HA : -0.475: 0
: 2613:M 44 ARG 1HB :M 42 ASP OD2 : -0.449: 0
: 2613:M 102 GLU 1HB :M 125 SER 2HB : -0.538: 0
: 2613:M 131 ALA HA :M 125 SER HA : -0.490: 0
: 2613:M 131 ALA CB :M 123 ARG 2HB : -0.485: 0
: 2613:M 7 PHE HD2 :M 35 ASN 1HD2 : -0.514: 0
: 2613:M 35 ASN 1HD2 :M 7 PHE 1HB : -0.409: 0
: 2613:M 52 LYS 2HE :M 46 TRP 1HB : -0.512: 0
: 2613:M 32 VAL CG1 :M 9 PHE 1HB : -0.508: 0
: 2613:M 33 SER O :M 9 PHE HA : -0.460: 0
: 2613:M 127 ASN HA :M 99 PHE HA : -0.506: 0
: 2613:M 115 LYS HA :M 115 LYS 1HD : -0.432: 0
: 2613:M 143 THR H :M 142 HIS 2HB : -0.424: 0
: 2613:M 144 LYS 1HG :M 142 HIS O : -0.411: 0
: 2613:M 4 MET SD :M 4 MET N : -0.418: 0
: 2613:M 110 LEU 3HD1 :M 63 GLU 2HB : -0.411: 0
: 2613:M 124 VAL 2HG2 :M 103 ILE CD1 : -0.405: 0
#sum2 ::34.44 clashscore : 34.44 clashscore B<40
#summary::2613 atoms:2613 atoms B<40:296492 potential dots:18530.0 A^2:90 bumps:90 bumps B<40:453.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2613:M 130 PRO 1HD :M 129 ALA H : -1.024: 0
: 2613:M 129 ALA H :M 130 PRO CD : -0.535: 0
: 2613:M 130 PRO 1HD :M 129 ALA N : -0.517: 0
: 2613:M 129 ALA N :M 130 PRO CD : -0.412: 0
: 2613:M 75 LEU 3HD2 :M 160 VAL 1HG2 : -0.688: 0
: 2613:M 160 VAL O :M 164 LYS 1HG : -0.688: 0
: 2613:M 64 PHE O :M 68 VAL 3HG2 : -0.667: 0
: 2613:M 68 VAL O :M 72 LYS 1HB : -0.632: 0
: 2613:M 67 MET 2HE :M 64 PHE HA : -0.617: 0
: 2613:M 75 LEU 2HD2 :M 156 PHE HD2 : -0.595: 0
: 2613:M 163 PHE 2HB :M 68 VAL 2HG2 : -0.592: 0
: 2613:M 119 LYS 2HB :M 119 LYS NZ : -0.577: 0
: 2613:M 156 PHE O :M 160 VAL 3HG2 : -0.533: 0
: 2613:M 156 PHE O :M 159 MET 1HG : -0.514: 0
: 2613:M 68 VAL 1HG2 :M 167 LEU 1HB : -0.513: 0
: 2613:M 72 LYS CA :M 164 LYS 2HE : -0.510: 0
: 2613:M 72 LYS 1HB :M 164 LYS 2HE : -0.508: 0
: 2613:M 119 LYS 3HZ :M 119 LYS 2HB : -0.499: 0
: 2613:M 72 LYS CB :M 164 LYS 2HE : -0.495: 0
: 2613:M 72 LYS 2HG :M 164 LYS 1HD : -0.480: 0
: 2613:M 167 LEU 1HD2 :M 64 PHE HD2 : -0.467: 0
: 2613:M 67 MET 2HG :M 63 GLU O : -0.425: 0
: 2613:M 63 GLU 1HG :M 63 GLU H : -0.422: 0
: 2613:M 65 GLN NE2 :M 167 LEU 2HB : -0.415: 0
: 2613:M 63 GLU OE2 :M 119 LYS NZ : -0.401: 0
: 2613:M 121 ILE 1HG1 :M 135 ILE 1HG1 : -0.651: 0
: 2613:M 57 ILE 3HD1 :M 135 ILE 2HG2 : -0.450: 0
: 2613:M 157 GLN NE2 :M 76 GLU 1HB : -0.597: 0
: 2613:M 76 GLU 1HB :M 157 GLN 1HE2 : -0.445: 0
: 2613:M 12 GLU OE2 :M 31 ARG 1HB : -0.593: 0
: 2613:M 108 LEU 1HD2 :M 70 ALA 1HB : -0.593: 0
: 2613:M 110 LEU 3HD2 :M 108 LEU 2HD1 : -0.593: 0
: 2613:M 108 LEU 1HD2 :M 70 ALA CB : -0.544: 0
: 2613:M 38 PRO 1HD :M 34 PHE O : -0.590: 0
: 2613:M 37 ALA 3HB :M 38 PRO 2HD : -0.589: 0
: 2613:M 112 GLU HA :M 118 THR HA : -0.587: 0
: 2613:M 11 ILE 1HG1 :M 32 VAL 2HG2 : -0.577: 0
: 2613:M 113 ASN 2HD2 :M 114 GLU 2HG : -0.576: 0
: 2613:M 15 LEU 2HD1 :M 29 ILE 2HG2 : -0.571: 0
: 2613:M 43 ILE 1HG1 :M 29 ILE 1HG1 : -0.495: 0
: 2613:M 43 ILE 2HG2 :M 149 ILE 3HD1 : -0.475: 0
: 2613:M 43 ILE 1HG1 :M 29 ILE 3HG2 : -0.402: 0
: 2613:M 33 SER HA :M 39 ALA HA : -0.566: 0
: 2613:M 132 LYS O :M 123 ARG HA : -0.551: 0
: 2613:M 133 PHE HD1 :M 123 ARG 1HG : -0.418: 0
: 2613:M 134 ASP CG :M 136 ARG HE : -0.542: 0
: 2613:M 136 ARG 2HD :M 148 GLY 2HA : -0.415: 0
: 2613:M 74 ASN 2HD2 :M 74 ASN C : -0.536: 0
: 2613:M 26 THR O :M 45 ALA HA : -0.474: 0
: 2613:M 45 ALA HA :M 27 LYS HA : -0.419: 0
: 2613:M 101 PHE HA :M 125 SER O : -0.472: 0
: 2613:M 131 ALA HA :M 125 SER HA : -0.449: 0
: 2613:M 52 LYS 2HD :M 25 TRP HZ2 : -0.433: 0
: 2613:M 42 ASP OD1 :M 44 ARG 1HB : -0.425: 0
: 2613:M 146 GLY 2HA :M 137 ALA O : -0.423: 0
: 2613:M 30 ASN C :M 30 ASN 2HD2 : -0.423: 0
: 2613:M 170 HIS 1HB :M 166 ASN O : -0.422: 0
#sum2 ::21.81 clashscore : 21.81 clashscore B<40
#summary::2613 atoms:2613 atoms B<40:296548 potential dots:18530.0 A^2:57 bumps:57 bumps B<40:583.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2613:M 144 LYS 1HE :M 139 SER 1HB : -0.813: 0
: 2613:M 144 LYS CE :M 139 SER 1HB : -0.572: 0
: 2613:M 144 LYS 1HE :M 139 SER CB : -0.564: 0
: 2613:M 144 LYS C :M 146 GLY H : -0.504: 0
: 2613:M 121 ILE 1HG1 :M 135 ILE 1HG1 : -0.762: 0
: 2613:M 68 VAL 1HG2 :M 167 LEU 3HD2 : -0.667: 0
: 2613:M 162 ALA 3HB :M 16 LEU 1HD1 : -0.645: 0
: 2613:M 75 LEU O :M 75 LEU HG : -0.563: 0
: 2613:M 16 LEU CD1 :M 159 MET HA : -0.555: 0
: 2613:M 156 PHE O :M 159 MET 1HG : -0.539: 0
: 2613:M 71 PHE CE2 :M 121 ILE 2HD1 : -0.537: 0
: 2613:M 75 LEU 3HD2 :M 160 VAL 1HG2 : -0.526: 0
: 2613:M 121 ILE 2HG2 :M 107 LEU 2HD1 : -0.499: 0
: 2613:M 156 PHE O :M 160 VAL 3HG2 : -0.492: 0
: 2613:M 16 LEU 2HD2 :M 18 LEU 3HD2 : -0.464: 0
: 2613:M 67 MET O :M 71 PHE HD2 : -0.449: 0
: 2613:M 67 MET 1HG :M 64 PHE O : -0.448: 0
: 2613:M 64 PHE HZ :M 163 PHE CZ : -0.424: 0
: 2613:M 156 PHE CE1 :M 121 ILE 1HG2 : -0.413: 0
: 2613:M 64 PHE O :M 68 VAL 3HG2 : -0.412: 0
: 2613:M 167 LEU 2HD2 :M 64 PHE CD2 : -0.401: 0
: 2613:M 10 GLU 1HB :M 33 SER 1HB : -0.743: 0
: 2613:M 164 LYS 1HE :M 76 GLU 1HB : -0.721: 0
: 2613:M 164 LYS 2HG :M 72 LYS 1HB : -0.716: 0
: 2613:M 69 ASP O :M 72 LYS 2HG : -0.575: 0
: 2613:M 72 LYS 2HD :M 72 LYS C : -0.536: 0
: 2613:M 77 HIS N :M 76 GLU 2HG : -0.477: 0
: 2613:M 69 ASP HA :M 72 LYS CG : -0.432: 0
: 2613:M 120 GLU CB :M 109 THR HA : -0.690: 0
: 2613:M 120 GLU 2HB :M 109 THR HA : -0.630: 0
: 2613:M 147 LYS 2HD :M 57 ILE HA : -0.612: 0
: 2613:M 56 GLY 2HA :M 44 ARG 2HB : -0.611: 0
: 2613:M 56 GLY 2HA :M 44 ARG CB : -0.492: 0
: 2613:M 43 ILE 1HG1 :M 29 ILE 1HG1 : -0.586: 0
: 2613:M 43 ILE 1HG1 :M 29 ILE 3HG2 : -0.543: 0
: 2613:M 43 ILE 3HG2 :M 29 ILE 1HG1 : -0.483: 0
: 2613:M 132 LYS O :M 123 ARG HA : -0.570: 0
: 2613:M 101 PHE HA :M 125 SER O : -0.513: 0
: 2613:M 131 ALA HA :M 125 SER HA : -0.502: 0
: 2613:M 131 ALA 3HB :M 123 ARG NH2 : -0.460: 0
: 2613:M 129 ALA 3HB :M 126 PHE H : -0.447: 0
: 2613:M 131 ALA 2HB :M 125 SER 1HB : -0.405: 0
: 2613:M 129 ALA C :M 131 ALA H : -0.404: 0
: 2613:M 38 PRO 1HD :M 37 ALA 1HB : -0.537: 0
: 2613:M 26 THR HB :M 46 TRP HD1 : -0.525: 0
: 2613:M 26 THR O :M 45 ALA HA : -0.497: 0
: 2613:M 25 TRP HA :M 46 TRP O : -0.489: 0
: 2613:M 20 GLU HA :M 26 THR HA : -0.400: 0
: 2613:M 158 THR HA :M 161 ASP OD2 : -0.518: 0
: 2613:M 95 LYS 1HB :M 94 LYS O : -0.517: 0
: 2613:M 134 ASP OD1 :M 136 ARG 1HB : -0.507: 0
: 2613:M 136 ARG 1HH2 :M 134 ASP CG : -0.459: 0
: 2613:M 150 THR 3HG2 :M 134 ASP 2HB : -0.439: 0
: 2613:M 134 ASP CB :M 150 THR HA : -0.416: 0
: 2613:M 74 ASN 2HD2 :M 74 ASN C : -0.496: 0
: 2613:M 127 ASN OD1 :M 99 PHE HA : -0.490: 0
: 2613:M 122 ASN H :M 122 ASN 2HD2 : -0.487: 0
: 2613:M 122 ASN 2HD2 :M 122 ASN N : -0.435: 0
: 2613:M 41 PHE HE2 :M 61 ASN HA : -0.476: 0
: 2613:M 31 ARG 1HB :M 13 GLU 2HB : -0.475: 0
: 2613:M 31 ARG 1HH1 :M 31 ARG 1HD : -0.418: 0
: 2613:M 137 ALA HA :M 118 THR O : -0.472: 0
: 2613:M 112 GLU HA :M 118 THR HA : -0.452: 0
: 2613:M 145 MET H :M 143 THR C : -0.470: 0
: 2613:M 141 ASP CG :M 142 HIS H : -0.464: 0
: 2613:M 143 THR HG1 :M 142 HIS C : -0.456: 0
: 2613:M 154 GLU CD :M 154 GLU H : -0.469: 0
: 2613:M 35 ASN HA :M 8 THR OG1 : -0.442: 0
: 2613:M 8 THR H :M 35 ASN ND2 : -0.433: 0
: 2613:M 2 LYS 1HG :M 4 MET H : -0.440: 0
: 2613:M 119 LYS 1HB :M 119 LYS NZ : -0.436: 0
: 2613:M 70 ALA 1HB :M 108 LEU 2HD2 : -0.429: 0
#sum2 ::27.55 clashscore : 27.55 clashscore B<40
#summary::2613 atoms:2613 atoms B<40:296331 potential dots:18520.0 A^2:72 bumps:72 bumps B<40:490.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2613:M 47 SER 1HB :M 48 PRO 2HD : -0.918: 0
: 2613:M 170 HIS H :M 168 GLU 1HG : -0.812: 0
: 2613:M 168 GLU H :M 168 GLU CD : -0.553: 0
: 2613:M 168 GLU 2HB :M 65 GLN OE1 : -0.473: 0
: 2613:M 168 GLU O :M 169 HIS 1HB : -0.451: 0
: 2613:M 167 LEU 2HD2 :M 68 VAL 1HG2 : -0.750: 0
: 2613:M 16 LEU 1HD1 :M 159 MET HA : -0.637: 0
: 2613:M 164 LYS 1HG :M 161 ASP HA : -0.614: 0
: 2613:M 164 LYS CG :M 161 ASP HA : -0.591: 0
: 2613:M 121 ILE 1HD1 :M 110 LEU 1HD1 : -0.548: 0
: 2613:M 121 ILE 2HG2 :M 107 LEU 2HD1 : -0.524: 0
: 2613:M 135 ILE 3HD1 :M 121 ILE 3HG2 : -0.520: 0
: 2613:M 67 MET 1HG :M 64 PHE O : -0.502: 0
: 2613:M 137 ALA HA :M 119 LYS HA : -0.502: 0
: 2613:M 164 LYS 2HD :M 161 ASP HA : -0.498: 0
: 2613:M 160 VAL O :M 164 LYS 1HG : -0.495: 0
: 2613:M 161 ASP CA :M 164 LYS 1HG : -0.481: 0
: 2613:M 75 LEU CD2 :M 160 VAL 1HG2 : -0.473: 0
: 2613:M 159 MET 2HG :M 160 VAL N : -0.470: 0
: 2613:M 71 PHE HZ :M 121 ILE 1HG2 : -0.467: 0
: 2613:M 72 LYS 1HG :M 68 VAL O : -0.459: 0
: 2613:M 110 LEU 1HB :M 119 LYS O : -0.459: 0
: 2613:M 164 LYS CD :M 161 ASP HA : -0.458: 0
: 2613:M 68 VAL 1HG2 :M 167 LEU CD2 : -0.439: 0
: 2613:M 163 PHE 2HB :M 68 VAL 2HG2 : -0.425: 0
: 2613:M 108 LEU 3HD1 :M 67 MET HA : -0.423: 0
: 2613:M 156 PHE O :M 159 MET 1HG : -0.423: 0
: 2613:M 72 LYS 2HB :M 164 LYS 2HB : -0.422: 0
: 2613:M 121 ILE HB :M 108 LEU 1HB : -0.421: 0
: 2613:M 75 LEU 3HD2 :M 160 VAL 1HG2 : -0.417: 0
: 2613:M 164 LYS C :M 166 ASN H : -0.415: 0
: 2613:M 156 PHE HZ :M 71 PHE CZ : -0.409: 0
: 2613:M 160 VAL 3HG1 :M 71 PHE 2HB : -0.407: 0
: 2613:M 131 ALA 2HB :M 104 GLU 2HG : -0.641: 0
: 2613:M 131 ALA 1HB :M 123 ARG 2HB : -0.589: 0
: 2613:M 123 ARG HE :M 105 GLU CB : -0.414: 0
: 2613:M 140 PRO 2HG :M 116 GLY CA : -0.613: 0
: 2613:M 140 PRO 2HG :M 116 GLY 2HA : -0.422: 0
: 2613:M 112 GLU HA :M 118 THR HA : -0.607: 0
: 2613:M 120 GLU 2HG :M 109 THR HA : -0.551: 0
: 2613:M 120 GLU OE2 :M 118 THR HB : -0.517: 0
: 2613:M 28 GLU CB :M 17 THR HA : -0.604: 0
: 2613:M 28 GLU 1HB :M 17 THR HA : -0.498: 0
: 2613:M 28 GLU 2HB :M 17 THR 3HG2 : -0.470: 0
: 2613:M 60 SER 2HB :M 63 GLU OE1 : -0.598: 0
: 2613:M 111 SER 1HB :M 63 GLU CG : -0.413: 0
: 2613:M 15 LEU 2HD1 :M 29 ILE 2HG2 : -0.579: 0
: 2613:M 41 PHE HE2 :M 61 ASN HA : -0.538: 0
: 2613:M 15 LEU 1HD1 :M 41 PHE HD1 : -0.459: 0
: 2613:M 153 ASN HA :M 133 PHE HE1 : -0.578: 0
: 2613:M 153 ASN HA :M 133 PHE CE1 : -0.475: 0
: 2613:M 33 SER 1HB :M 36 GLY O : -0.546: 0
: 2613:M 39 ALA 2HB :M 33 SER OG : -0.465: 0
: 2613:M 33 SER O :M 9 PHE HA : -0.463: 0
: 2613:M 33 SER 2HB :M 10 GLU 1HG : -0.421: 0
: 2613:M 30 ASN H :M 30 ASN 2HD2 : -0.516: 0
: 2613:M 30 ASN 2HD2 :M 30 ASN N : -0.412: 0
: 2613:M 101 PHE 1HB :M 124 VAL CG1 : -0.515: 0
: 2613:M 117 TRP 1HB :M 113 ASN 2HB : -0.506: 0
: 2613:M 114 GLU 1HG :M 113 ASN OD1 : -0.467: 0
: 2613:M 37 ALA 3HB :M 38 PRO 2HD : -0.490: 0
: 2613:M 38 PRO CD :M 37 ALA N : -0.445: 0
: 2613:M 122 ASN N :M 122 ASN 2HD2 : -0.487: 0
: 2613:M 3 LYS 1HB :M 3 LYS NZ : -0.475: 0
: 2613:M 2 LYS O :M 3 LYS 1HB : -0.403: 0
: 2613:M 7 PHE HA :M 35 ASN OD1 : -0.465: 0
: 2613:M 43 ILE 2HG2 :M 149 ILE 3HD1 : -0.460: 0
: 2613:M 20 GLU HA :M 26 THR HA : -0.454: 0
: 2613:M 154 GLU CD :M 154 GLU H : -0.436: 0
: 2613:M 22 GLU CD :M 22 GLU H : -0.431: 0
: 2613:M 23 LYS 1HB :M 22 GLU O : -0.425: 0
: 2613:M 79 HIS H :M 77 HIS C : -0.406: 0
: 2613:M 42 ASP HA :M 58 THR HA : -0.404: 0
#sum2 ::27.94 clashscore : 27.94 clashscore B<40
#summary::2613 atoms:2613 atoms B<40:296666 potential dots:18540.0 A^2:73 bumps:73 bumps B<40:564.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2613:M 43 ILE 2HG2 :M 149 ILE 3HD1 : -0.740: 0
: 2613:M 56 GLY 1HA :M 149 ILE HB : -0.579: 0
: 2613:M 43 ILE 3HG2 :M 29 ILE 1HG1 : -0.560: 0
: 2613:M 44 ARG 1HH2 :M 42 ASP CG : -0.476: 0
: 2613:M 43 ILE 1HG1 :M 29 ILE 1HG1 : -0.464: 0
: 2613:M 44 ARG HA :M 56 GLY 2HA : -0.439: 0
: 2613:M 43 ILE 1HG1 :M 29 ILE 3HG2 : -0.409: 0
: 2613:M 43 ILE 2HG1 :M 59 LEU 3HD1 : -0.404: 0
: 2613:M 130 PRO 1HD :M 129 ALA N : -0.721: 0
: 2613:M 129 ALA N :M 130 PRO CD : -0.498: 0
: 2613:M 130 PRO 1HD :M 129 ALA H : -0.408: 0
: 2613:M 28 GLU CB :M 17 THR HA : -0.691: 0
: 2613:M 28 GLU 1HB :M 17 THR HA : -0.645: 0
: 2613:M 162 ALA 3HB :M 16 LEU 1HD1 : -0.570: 0
: 2613:M 16 LEU CD1 :M 159 MET HA : -0.525: 0
: 2613:M 16 LEU 2HD2 :M 18 LEU 3HD2 : -0.486: 0
: 2613:M 156 PHE O :M 160 VAL 3HG2 : -0.485: 0
: 2613:M 156 PHE O :M 159 MET 2HB : -0.479: 0
: 2613:M 75 LEU 3HD2 :M 160 VAL 1HG2 : -0.476: 0
: 2613:M 74 ASN O :M 75 LEU 2HB : -0.470: 0
: 2613:M 28 GLU 1HB :M 16 LEU O : -0.454: 0
: 2613:M 75 LEU CD2 :M 160 VAL 1HG2 : -0.439: 0
: 2613:M 75 LEU 3HD2 :M 160 VAL CG2 : -0.437: 0
: 2613:M 17 THR HA :M 28 GLU 2HB : -0.402: 0
: 2613:M 47 SER 2HB :M 48 PRO 1HD : -0.676: 0
: 2613:M 55 LYS 1HB :M 54 GLY O : -0.564: 0
: 2613:M 54 GLY 1HA :M 52 LYS 2HE : -0.533: 0
: 2613:M 47 SER 2HB :M 48 PRO CD : -0.423: 0
: 2613:M 47 SER OG :M 52 LYS 1HE : -0.407: 0
: 2613:M 112 GLU HA :M 118 THR HA : -0.597: 0
: 2613:M 167 LEU 1HD2 :M 64 PHE HD2 : -0.592: 0
: 2613:M 64 PHE O :M 68 VAL 3HG2 : -0.526: 0
: 2613:M 167 LEU 2HD2 :M 68 VAL 1HG2 : -0.511: 0
: 2613:M 67 MET 1HG :M 64 PHE O : -0.504: 0
: 2613:M 163 PHE 2HB :M 68 VAL 2HG2 : -0.500: 0
: 2613:M 167 LEU O :M 168 GLU 2HB : -0.449: 0
: 2613:M 163 PHE HA :M 166 ASN 2HB : -0.402: 0
: 2613:M 27 LYS 2HE :M 21 ASN OD1 : -0.572: 0
: 2613:M 151 LEU 1HB :M 133 PHE O : -0.541: 0
: 2613:M 151 LEU CD2 :M 27 LYS 2HD : -0.490: 0
: 2613:M 110 LEU 3HD1 :M 63 GLU 2HB : -0.567: 0
: 2613:M 31 ARG 2HB :M 39 ALA 1HB : -0.549: 0
: 2613:M 31 ARG HA :M 40 LYS O : -0.460: 0
: 2613:M 40 LYS 1HB :M 40 LYS NZ : -0.401: 0
: 2613:M 121 ILE 2HG2 :M 107 LEU 2HD1 : -0.540: 0
: 2613:M 121 ILE 1HG1 :M 135 ILE 1HG1 : -0.522: 0
: 2613:M 14 HIS HA :M 30 ASN HA : -0.523: 0
: 2613:M 120 GLU CB :M 109 THR HA : -0.504: 0
: 2613:M 120 GLU 2HB :M 109 THR HA : -0.454: 0
: 2613:M 58 THR O :M 119 LYS 1HE : -0.502: 0
: 2613:M 123 ARG 1HH1 :M 105 GLU 2HB : -0.490: 0
: 2613:M 131 ALA CB :M 123 ARG 2HD : -0.465: 0
: 2613:M 131 ALA 1HB :M 123 ARG CG : -0.418: 0
: 2613:M 123 ARG 1HG :M 131 ALA 1HB : -0.414: 0
: 2613:M 22 GLU CD :M 22 GLU H : -0.484: 0
: 2613:M 171 HIS 2HB :M 170 HIS O : -0.476: 0
: 2613:M 72 LYS 2HG :M 164 LYS 2HG : -0.449: 0
: 2613:M 113 ASN O :M 117 TRP 1HB : -0.444: 0
: 2613:M 5 ALA O :M 2 LYS 1HD : -0.432: 0
#sum2 ::22.58 clashscore : 22.58 clashscore B<40
#summary::2613 atoms:2613 atoms B<40:296460 potential dots:18530.0 A^2:59 bumps:59 bumps B<40:515.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2613:M 37 ALA H :M 38 PRO 1HD : -0.983: 0
: 2613:M 37 ALA H :M 38 PRO CD : -0.655: 0
: 2613:M 38 PRO 1HD :M 37 ALA N : -0.648: 0
: 2613:M 37 ALA N :M 38 PRO CD : -0.449: 0
: 2613:M 120 GLU 1HG :M 109 THR 3HG2 : -0.955: 0
: 2613:M 72 LYS 2HG :M 164 LYS 2HG : -0.914: 0
: 2613:M 164 LYS 2HG :M 72 LYS CG : -0.468: 0
: 2613:M 68 VAL 1HG2 :M 167 LEU 3HD2 : -0.707: 0
: 2613:M 67 MET 2HG :M 64 PHE O : -0.608: 0
: 2613:M 67 MET 2HB :M 110 LEU 1HD2 : -0.508: 0
: 2613:M 59 LEU 2HD1 :M 64 PHE HD1 : -0.502: 0
: 2613:M 64 PHE O :M 68 VAL 3HG2 : -0.462: 0
: 2613:M 119 LYS HA :M 136 ARG O : -0.439: 0
: 2613:M 163 PHE 2HB :M 68 VAL 3HG1 : -0.439: 0
: 2613:M 119 LYS 2HB :M 119 LYS NZ : -0.426: 0
: 2613:M 64 PHE HZ :M 163 PHE CZ : -0.402: 0
: 2613:M 119 LYS 1HG :M 110 LEU 2HD1 : -0.400: 0
: 2613:M 33 SER O :M 9 PHE HA : -0.630: 0
: 2613:M 9 PHE HE1 :M 6 GLU 2HB : -0.408: 0
: 2613:M 20 GLU HA :M 26 THR HA : -0.608: 0
: 2613:M 155 GLU 1HB :M 18 LEU 2HB : -0.584: 0
: 2613:M 15 LEU 2HD1 :M 29 ILE 2HG2 : -0.584: 0
: 2613:M 57 ILE 3HD1 :M 135 ILE 2HG2 : -0.575: 0
: 2613:M 148 GLY 1HA :M 57 ILE HB : -0.571: 0
: 2613:M 43 ILE 3HG2 :M 29 ILE 1HG1 : -0.530: 0
: 2613:M 43 ILE 1HG1 :M 29 ILE 3HG2 : -0.523: 0
: 2613:M 19 SER 2HB :M 155 GLU 2HB : -0.505: 0
: 2613:M 152 SER 1HB :M 155 GLU OE1 : -0.497: 0
: 2613:M 57 ILE 2HG2 :M 149 ILE 2HG2 : -0.489: 0
: 2613:M 18 LEU 2HB :M 155 GLU CB : -0.478: 0
: 2613:M 43 ILE O :M 56 GLY 1HA : -0.464: 0
: 2613:M 149 ILE 1HD1 :M 27 LYS 2HG : -0.453: 0
: 2613:M 155 GLU CD :M 152 SER 1HB : -0.444: 0
: 2613:M 43 ILE 2HG2 :M 149 ILE 3HD1 : -0.431: 0
: 2613:M 15 LEU 1HD1 :M 41 PHE HD1 : -0.412: 0
: 2613:M 11 ILE 1HG1 :M 32 VAL 2HG2 : -0.579: 0
: 2613:M 7 PHE HD2 :M 35 ASN 1HD2 : -0.572: 0
: 2613:M 7 PHE 2HB :M 35 ASN OD1 : -0.405: 0
: 2613:M 28 GLU 2HG :M 17 THR HA : -0.567: 0
: 2613:M 160 VAL 3HG1 :M 71 PHE 2HB : -0.564: 0
: 2613:M 75 LEU 3HD2 :M 160 VAL 1HG2 : -0.511: 0
: 2613:M 160 VAL 1HG2 :M 75 LEU CD2 : -0.405: 0
: 2613:M 132 LYS O :M 123 ARG HA : -0.560: 0
: 2613:M 131 ALA 1HB :M 123 ARG 2HB : -0.517: 0
: 2613:M 132 LYS 2HD :M 132 LYS HA : -0.452: 0
: 2613:M 105 GLU CD :M 123 ARG 1HH2 : -0.444: 0
: 2613:M 121 ILE 2HG2 :M 107 LEU 2HD1 : -0.559: 0
: 2613:M 107 LEU 1HD1 :M 133 PHE HD1 : -0.472: 0
: 2613:M 133 PHE HE2 :M 153 ASN HA : -0.413: 0
: 2613:M 93 MET HA :M 97 ALA O : -0.553: 0
: 2613:M 94 LYS 1HB :M 93 MET O : -0.519: 0
: 2613:M 63 GLU 2HG :M 60 SER 2HB : -0.537: 0
: 2613:M 138 TRP CE2 :M 118 THR HB : -0.533: 0
: 2613:M 25 TRP HA :M 46 TRP O : -0.508: 0
: 2613:M 25 TRP HD1 :M 22 GLU 2HB : -0.450: 0
: 2613:M 144 LYS 1HD :M 143 THR 2HG2 : -0.497: 0
: 2613:M 44 ARG 1HD :M 42 ASP OD2 : -0.479: 0
: 2613:M 146 GLY O :M 147 LYS 1HB : -0.466: 0
: 2613:M 55 LYS H :M 45 ALA 3HB : -0.455: 0
: 2613:M 124 VAL 2HG2 :M 103 ILE HA : -0.431: 0
: 2613:M 103 ILE N :M 103 ILE 2HD1 : -0.429: 0
: 2613:M 48 PRO 2HG :M 24 GLY 2HA : -0.417: 0
: 2613:M 98 GLU HA :M 98 GLU OE1 : -0.402: 0
#sum2 ::24.11 clashscore : 24.11 clashscore B<40
#summary::2613 atoms:2613 atoms B<40:296754 potential dots:18550.0 A^2:63 bumps:63 bumps B<40:519.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2613:M 76 GLU H :M 75 LEU HG : -0.867: 0
: 2613:M 164 LYS 1HE :M 161 ASP HA : -0.837: 0
: 2613:M 72 LYS 2HG :M 164 LYS 2HG : -0.726: 0
: 2613:M 27 LYS 1HE :M 151 LEU 2HB : -0.723: 0
: 2613:M 168 GLU 2HG :M 72 LYS 2HD : -0.711: 0
: 2613:M 75 LEU 3HD2 :M 160 VAL 1HG2 : -0.661: 0
: 2613:M 16 LEU 1HD1 :M 159 MET HA : -0.589: 0
: 2613:M 166 ASN 2HB :M 167 LEU 2HD1 : -0.560: 0
: 2613:M 133 PHE HE2 :M 151 LEU 1HD2 : -0.557: 0
: 2613:M 167 LEU 2HD2 :M 68 VAL 1HG2 : -0.555: 0
: 2613:M 67 MET 2HG :M 64 PHE O : -0.548: 0
: 2613:M 135 ILE 3HG2 :M 121 ILE 1HG1 : -0.530: 0
: 2613:M 110 LEU 3HD2 :M 108 LEU 2HD1 : -0.525: 0
: 2613:M 121 ILE CG2 :M 133 PHE HE1 : -0.521: 0
: 2613:M 64 PHE O :M 68 VAL 3HG2 : -0.504: 0
: 2613:M 57 ILE 3HD1 :M 135 ILE 2HG2 : -0.496: 0
: 2613:M 18 LEU 2HD1 :M 27 LYS 1HG : -0.489: 0
: 2613:M 76 GLU H :M 75 LEU CG : -0.484: 0
: 2613:M 162 ALA CB :M 16 LEU 3HD1 : -0.481: 0
: 2613:M 121 ILE 3HG2 :M 133 PHE CE1 : -0.479: 0
: 2613:M 108 LEU 1HD2 :M 70 ALA 1HB : -0.477: 0
: 2613:M 156 PHE O :M 159 MET 1HG : -0.477: 0
: 2613:M 108 LEU 1HD2 :M 70 ALA CB : -0.475: 0
: 2613:M 108 LEU 3HD2 :M 71 PHE CE1 : -0.475: 0
: 2613:M 67 MET 2HB :M 110 LEU 1HD2 : -0.473: 0
: 2613:M 151 LEU N :M 151 LEU 3HD2 : -0.459: 0
: 2613:M 167 LEU 1HB :M 68 VAL 1HG1 : -0.456: 0
: 2613:M 71 PHE CE1 :M 156 PHE HZ : -0.451: 0
: 2613:M 151 LEU 2HB :M 27 LYS CE : -0.450: 0
: 2613:M 160 VAL 3HG1 :M 71 PHE 2HB : -0.445: 0
: 2613:M 156 PHE O :M 160 VAL 3HG2 : -0.444: 0
: 2613:M 72 LYS 1HD :M 164 LYS HA : -0.443: 0
: 2613:M 133 PHE CE1 :M 121 ILE CG2 : -0.442: 0
: 2613:M 64 PHE HZ :M 163 PHE CZ : -0.440: 0
: 2613:M 156 PHE CE2 :M 75 LEU 2HD2 : -0.440: 0
: 2613:M 168 GLU H :M 167 LEU 2HB : -0.440: 0
: 2613:M 16 LEU O :M 28 GLU 2HG : -0.435: 0
: 2613:M 160 VAL 1HG2 :M 75 LEU CD2 : -0.433: 0
: 2613:M 71 PHE HZ :M 121 ILE 1HG2 : -0.432: 0
: 2613:M 151 LEU 1HD2 :M 133 PHE CE2 : -0.428: 0
: 2613:M 163 PHE 2HB :M 68 VAL 3HG1 : -0.418: 0
: 2613:M 57 ILE HA :M 147 LYS 1HE : -0.414: 0
: 2613:M 27 LYS 1HB :M 27 LYS NZ : -0.400: 0
: 2613:M 117 TRP HZ3 :M 146 GLY 1HA : -0.716: 0
: 2613:M 117 TRP HZ3 :M 146 GLY CA : -0.495: 0
: 2613:M 130 PRO 1HD :M 129 ALA N : -0.657: 0
: 2613:M 129 ALA N :M 130 PRO CD : -0.442: 0
: 2613:M 31 ARG HA :M 40 LYS O : -0.651: 0
: 2613:M 13 GLU OE1 :M 31 ARG 2HD : -0.526: 0
: 2613:M 12 GLU 2HG :M 39 ALA 2HB : -0.523: 0
: 2613:M 31 ARG 2HB :M 39 ALA 1HB : -0.440: 0
: 2613:M 60 SER 1HB :M 63 GLU 2HG : -0.645: 0
: 2613:M 98 GLU CD :M 98 GLU H : -0.596: 0
: 2613:M 15 LEU 2HD1 :M 29 ILE 2HG2 : -0.584: 0
: 2613:M 43 ILE 3HG2 :M 29 ILE 1HG1 : -0.533: 0
: 2613:M 15 LEU 1HD1 :M 41 PHE HD1 : -0.468: 0
: 2613:M 101 PHE HA :M 125 SER O : -0.571: 0
: 2613:M 104 GLU 2HG :M 131 ALA CB : -0.493: 0
: 2613:M 131 ALA HA :M 125 SER HA : -0.446: 0
: 2613:M 32 VAL CG1 :M 9 PHE 1HB : -0.513: 0
: 2613:M 132 LYS O :M 123 ARG HA : -0.509: 0
: 2613:M 26 THR HB :M 46 TRP CE2 : -0.509: 0
: 2613:M 20 GLU HA :M 26 THR HA : -0.500: 0
: 2613:M 105 GLU 2HB :M 123 ARG 2HD : -0.443: 0
: 2613:M 25 TRP HZ2 :M 52 LYS 1HD : -0.484: 0
: 2613:M 51 THR 2HG2 :M 52 LYS 2HG : -0.416: 0
: 2613:M 7 PHE 2HB :M 35 ASN 1HB : -0.478: 0
: 2613:M 155 GLU 1HG :M 19 SER 2HB : -0.464: 0
: 2613:M 158 THR HB :M 155 GLU O : -0.403: 0
: 2613:M 150 THR 2HG2 :M 134 ASP OD2 : -0.444: 0
: 2613:M 74 ASN N :M 74 ASN 2HD2 : -0.435: 0
: 2613:M 97 ALA H :M 95 LYS C : -0.430: 0
: 2613:M 113 ASN 1HD2 :M 119 LYS 1HB : -0.425: 0
: 2613:M 103 ILE N :M 103 ILE 2HD1 : -0.420: 0
#sum2 ::28.32 clashscore : 28.32 clashscore B<40
#summary::2613 atoms:2613 atoms B<40:296324 potential dots:18520.0 A^2:74 bumps:74 bumps B<40:504.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2613:M 44 ARG 1HG :M 56 GLY 2HA : -0.883: 0
: 2613:M 44 ARG 1HG :M 56 GLY CA : -0.597: 0
: 2613:M 44 ARG 2HG :M 42 ASP OD1 : -0.579: 0
: 2613:M 56 GLY 1HA :M 149 ILE HB : -0.513: 0
: 2613:M 42 ASP CG :M 44 ARG HE : -0.427: 0
: 2613:M 155 GLU 1HG :M 27 LYS 1HD : -0.817: 0
: 2613:M 160 VAL 1HG2 :M 75 LEU 2HD2 : -0.748: 0
: 2613:M 57 ILE HB :M 148 GLY CA : -0.698: 0
: 2613:M 68 VAL 1HG2 :M 167 LEU 3HD2 : -0.675: 0
: 2613:M 155 GLU 2HB :M 18 LEU 3HD1 : -0.660: 0
: 2613:M 15 LEU 2HD1 :M 29 ILE 2HG2 : -0.635: 0
: 2613:M 28 GLU CB :M 17 THR HA : -0.630: 0
: 2613:M 41 PHE CE1 :M 59 LEU 1HB : -0.624: 0
: 2613:M 151 LEU CD2 :M 27 LYS 2HD : -0.619: 0
: 2613:M 160 VAL 2HG2 :M 71 PHE 2HB : -0.619: 0
: 2613:M 162 ALA CB :M 16 LEU 3HD1 : -0.614: 0
: 2613:M 59 LEU 1HB :M 41 PHE CZ : -0.606: 0
: 2613:M 148 GLY 1HA :M 57 ILE HB : -0.600: 0
: 2613:M 41 PHE CZ :M 59 LEU 3HD1 : -0.594: 0
: 2613:M 152 SER HA :M 132 LYS 2HG : -0.580: 0
: 2613:M 43 ILE 3HG2 :M 29 ILE 1HG1 : -0.572: 0
: 2613:M 159 MET 2HG :M 156 PHE O : -0.567: 0
: 2613:M 59 LEU 3HD1 :M 41 PHE CE2 : -0.554: 0
: 2613:M 18 LEU 2HD1 :M 27 LYS 1HG : -0.553: 0
: 2613:M 167 LEU 2HD2 :M 64 PHE CE2 : -0.542: 0
: 2613:M 28 GLU 2HB :M 17 THR HA : -0.539: 0
: 2613:M 155 GLU OE1 :M 152 SER 2HB : -0.532: 0
: 2613:M 163 PHE 2HB :M 68 VAL 3HG1 : -0.522: 0
: 2613:M 61 ASN O :M 64 PHE 2HB : -0.513: 0
: 2613:M 151 LEU 2HD1 :M 156 PHE HD1 : -0.505: 0
: 2613:M 41 PHE CE1 :M 64 PHE 1HB : -0.502: 0
: 2613:M 159 MET 2HB :M 18 LEU CD2 : -0.493: 0
: 2613:M 75 LEU CD2 :M 160 VAL 1HG2 : -0.482: 0
: 2613:M 15 LEU 2HB :M 163 PHE HE1 : -0.466: 0
: 2613:M 157 GLN OE1 :M 75 LEU 3HD2 : -0.463: 0
: 2613:M 163 PHE 2HB :M 68 VAL CG1 : -0.453: 0
: 2613:M 43 ILE 1HG1 :M 29 ILE 3HG2 : -0.448: 0
: 2613:M 57 ILE HB :M 148 GLY 2HA : -0.443: 0
: 2613:M 28 GLU 2HB :M 17 THR 3HG2 : -0.442: 0
: 2613:M 156 PHE HZ :M 71 PHE CZ : -0.433: 0
: 2613:M 19 SER OG :M 155 GLU 2HG : -0.431: 0
: 2613:M 59 LEU 2HD1 :M 59 LEU N : -0.431: 0
: 2613:M 16 LEU CD1 :M 18 LEU 3HD2 : -0.421: 0
: 2613:M 30 ASN O :M 41 PHE HA : -0.421: 0
: 2613:M 16 LEU 1HD1 :M 18 LEU 3HD2 : -0.417: 0
: 2613:M 64 PHE HZ :M 15 LEU 3HD1 : -0.415: 0
: 2613:M 64 PHE CZ :M 167 LEU 2HD2 : -0.414: 0
: 2613:M 160 VAL 2HG2 :M 71 PHE CB : -0.413: 0
: 2613:M 28 GLU HA :M 18 LEU HG : -0.412: 0
: 2613:M 163 PHE CE2 :M 159 MET 1HB : -0.409: 0
: 2613:M 57 ILE 1HG1 :M 59 LEU HG : -0.405: 0
: 2613:M 159 MET 2HB :M 18 LEU 1HD2 : -0.403: 0
: 2613:M 27 LYS 2HD :M 151 LEU 2HD2 : -0.402: 0
: 2613:M 29 ILE CG2 :M 43 ILE 1HG1 : -0.401: 0
: 2613:M 110 LEU 2HB :M 63 GLU 2HB : -0.778: 0
: 2613:M 67 MET 2HB :M 110 LEU 1HD2 : -0.494: 0
: 2613:M 147 LYS HA :M 136 ARG 1HB : -0.769: 0
: 2613:M 147 LYS CA :M 136 ARG 1HB : -0.546: 0
: 2613:M 25 TRP HZ3 :M 54 GLY 1HA : -0.665: 0
: 2613:M 112 GLU HA :M 118 THR HA : -0.634: 0
: 2613:M 118 THR HB :M 138 TRP 1HB : -0.625: 0
: 2613:M 112 GLU 1HG :M 115 LYS HA : -0.602: 0
: 2613:M 117 TRP HA :M 138 TRP O : -0.483: 0
: 2613:M 138 TRP 1HB :M 118 THR CB : -0.448: 0
: 2613:M 138 TRP CD1 :M 118 THR HB : -0.438: 0
: 2613:M 118 THR HB :M 138 TRP HD1 : -0.436: 0
: 2613:M 127 ASN 1HB :M 99 PHE HD1 : -0.632: 0
: 2613:M 99 PHE CD2 :M 98 GLU 2HG : -0.407: 0
: 2613:M 31 ARG 1HB :M 13 GLU 2HB : -0.581: 0
: 2613:M 104 GLU 2HG :M 131 ALA CB : -0.566: 0
: 2613:M 131 ALA 2HB :M 104 GLU 2HG : -0.491: 0
: 2613:M 122 ASN H :M 122 ASN 2HD2 : -0.556: 0
: 2613:M 122 ASN N :M 122 ASN 2HD2 : -0.487: 0
: 2613:M 135 ILE 3HG2 :M 121 ILE 1HG1 : -0.537: 0
: 2613:M 121 ILE 2HG2 :M 107 LEU 2HD1 : -0.493: 0
: 2613:M 121 ILE 3HG2 :M 135 ILE 1HG1 : -0.425: 0
: 2613:M 143 THR 2HG2 :M 144 LYS 2HG : -0.536: 0
: 2613:M 142 HIS 1HB :M 141 ASP O : -0.530: 0
: 2613:M 161 ASP HA :M 164 LYS 2HE : -0.509: 0
: 2613:M 72 LYS 2HB :M 72 LYS NZ : -0.494: 0
: 2613:M 72 LYS 3HZ :M 72 LYS 2HB : -0.481: 0
: 2613:M 72 LYS 2HG :M 164 LYS 2HD : -0.432: 0
: 2613:M 164 LYS 2HB :M 161 ASP O : -0.428: 0
: 2613:M 38 PRO 1HD :M 37 ALA 1HB : -0.453: 0
: 2613:M 11 ILE 2HD1 :M 11 ILE N : -0.446: 0
: 2613:M 32 VAL 2HG2 :M 11 ILE 2HG1 : -0.420: 0
: 2613:M 150 THR HA :M 134 ASP HA : -0.429: 0
: 2613:M 126 PHE C :M 128 GLY H : -0.409: 0
: 2613:M 7 PHE HD2 :M 35 ASN HA : -0.409: 0
: 2613:M 40 LYS 2HE :M 40 LYS 1HB : -0.407: 0
: 2613:M 65 GLN HA :M 65 GLN 2HE2 : -0.405: 0
#sum2 ::34.83 clashscore : 34.83 clashscore B<40
#summary::2613 atoms:2613 atoms B<40:296461 potential dots:18530.0 A^2:91 bumps:91 bumps B<40:447.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2613:M 72 LYS 2HG :M 164 LYS 2HG : -0.739: 0
: 2613:M 68 VAL 1HG2 :M 167 LEU 3HD2 : -0.574: 0
: 2613:M 164 LYS O :M 72 LYS 1HE : -0.560: 0
: 2613:M 72 LYS HA :M 164 LYS 1HE : -0.552: 0
: 2613:M 108 LEU 1HD2 :M 70 ALA 1HB : -0.541: 0
: 2613:M 163 PHE 2HB :M 68 VAL 2HG2 : -0.521: 0
: 2613:M 67 MET 1HG :M 64 PHE O : -0.519: 0
: 2613:M 119 LYS 2HE :M 59 LEU 3HD2 : -0.519: 0
: 2613:M 110 LEU 3HD2 :M 108 LEU 2HD1 : -0.501: 0
: 2613:M 64 PHE O :M 68 VAL 3HG2 : -0.499: 0
: 2613:M 68 VAL O :M 72 LYS 1HB : -0.495: 0
: 2613:M 110 LEU CD2 :M 67 MET 2HB : -0.473: 0
: 2613:M 164 LYS 2HG :M 72 LYS CG : -0.444: 0
: 2613:M 108 LEU 1HD2 :M 70 ALA CB : -0.440: 0
: 2613:M 110 LEU 1HB :M 119 LYS O : -0.405: 0
: 2613:M 76 GLU H :M 75 LEU HG : -0.660: 0
: 2613:M 160 VAL 3HG1 :M 71 PHE 2HB : -0.627: 0
: 2613:M 75 LEU 3HD2 :M 160 VAL 1HG2 : -0.472: 0
: 2613:M 75 LEU HG :M 76 GLU N : -0.437: 0
: 2613:M 76 GLU 2HB :M 75 LEU O : -0.434: 0
: 2613:M 136 ARG 2HD :M 148 GLY 2HA : -0.639: 0
: 2613:M 136 ARG 1HG :M 134 ASP OD1 : -0.542: 0
: 2613:M 103 ILE 2HG1 :M 124 VAL 2HG2 : -0.475: 0
: 2613:M 124 VAL 3HG2 :M 134 ASP 2HB : -0.463: 0
: 2613:M 103 ILE N :M 103 ILE 2HD1 : -0.425: 0
: 2613:M 112 GLU HA :M 118 THR HA : -0.619: 0
: 2613:M 130 PRO 1HD :M 129 ALA N : -0.609: 0
: 2613:M 130 PRO 1HD :M 129 ALA H : -0.594: 0
: 2613:M 129 ALA N :M 130 PRO CD : -0.404: 0
: 2613:M 153 ASN HA :M 133 PHE HE1 : -0.596: 0
: 2613:M 121 ILE 1HG1 :M 135 ILE 1HG1 : -0.548: 0
: 2613:M 153 ASN HA :M 133 PHE CE1 : -0.442: 0
: 2613:M 107 LEU 1HD1 :M 133 PHE HD2 : -0.435: 0
: 2613:M 121 ILE 2HG2 :M 107 LEU 2HD1 : -0.423: 0
: 2613:M 60 SER 1HB :M 63 GLU 2HG : -0.591: 0
: 2613:M 15 LEU 2HD1 :M 29 ILE 2HG2 : -0.580: 0
: 2613:M 144 LYS HA :M 117 TRP HH2 : -0.575: 0
: 2613:M 117 TRP CH2 :M 144 LYS HA : -0.487: 0
: 2613:M 11 ILE 1HG1 :M 32 VAL 2HG2 : -0.572: 0
: 2613:M 43 ILE 2HG2 :M 149 ILE 3HD1 : -0.567: 0
: 2613:M 33 SER O :M 9 PHE HA : -0.547: 0
: 2613:M 33 SER HA :M 39 ALA HA : -0.540: 0
: 2613:M 31 ARG 2HB :M 39 ALA 1HB : -0.432: 0
: 2613:M 31 ARG HA :M 40 LYS O : -0.413: 0
: 2613:M 40 LYS 2HD :M 40 LYS HA : -0.405: 0
: 2613:M 6 GLU 1HG :M 7 PHE CD2 : -0.527: 0
: 2613:M 17 THR 3HG2 :M 28 GLU 1HG : -0.521: 0
: 2613:M 17 THR HA :M 28 GLU 1HG : -0.496: 0
: 2613:M 23 LYS NZ :M 23 LYS 2HB : -0.481: 0
: 2613:M 45 ALA HA :M 27 LYS HA : -0.479: 0
: 2613:M 48 PRO 1HD :M 47 SER OG : -0.475: 0
: 2613:M 24 GLY C :M 48 PRO 2HD : -0.474: 0
: 2613:M 52 LYS 1HB :M 47 SER CB : -0.424: 0
: 2613:M 159 MET 2HG :M 156 PHE O : -0.460: 0
: 2613:M 16 LEU 1HD1 :M 159 MET HA : -0.445: 0
: 2613:M 154 GLU CD :M 154 GLU H : -0.439: 0
: 2613:M 122 ASN 2HD2 :M 122 ASN C : -0.439: 0
: 2613:M 131 ALA HA :M 125 SER HA : -0.435: 0
: 2613:M 168 GLU 1HG :M 65 GLN 1HE2 : -0.431: 0
: 2613:M 12 GLU 2HG :M 13 GLU N : -0.419: 0
: 2613:M 105 GLU CD :M 123 ARG 1HH2 : -0.417: 0
: 2613:M 42 ASP CB :M 44 ARG 2HH1 : -0.401: 0
#sum2 ::23.73 clashscore : 23.73 clashscore B<40
#summary::2613 atoms:2613 atoms B<40:296734 potential dots:18550.0 A^2:62 bumps:62 bumps B<40:525.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2613:M 107 LEU 3HD2 :M 121 ILE 2HG2 : -0.941: 0
: 2613:M 135 ILE 3HG2 :M 121 ILE 1HG1 : -0.700: 0
: 2613:M 157 GLN HA :M 157 GLN 2HE2 : -0.625: 0
: 2613:M 156 PHE O :M 160 VAL 3HG2 : -0.623: 0
: 2613:M 160 VAL O :M 164 LYS 1HG : -0.613: 0
: 2613:M 67 MET 1HG :M 64 PHE O : -0.583: 0
: 2613:M 75 LEU HG :M 157 GLN NE2 : -0.580: 0
: 2613:M 72 LYS 1HD :M 168 GLU OE1 : -0.563: 0
: 2613:M 72 LYS CA :M 164 LYS 2HE : -0.555: 0
: 2613:M 64 PHE O :M 68 VAL 3HG2 : -0.534: 0
: 2613:M 72 LYS CB :M 164 LYS 2HE : -0.530: 0
: 2613:M 164 LYS 2HZ :M 164 LYS HA : -0.519: 0
: 2613:M 72 LYS 1HB :M 164 LYS 2HE : -0.514: 0
: 2613:M 59 LEU CD2 :M 119 LYS 2HD : -0.513: 0
: 2613:M 75 LEU 3HD2 :M 160 VAL 1HG2 : -0.513: 0
: 2613:M 74 ASN 1HB :M 71 PHE HA : -0.498: 0
: 2613:M 121 ILE 1HD1 :M 110 LEU 1HD1 : -0.495: 0
: 2613:M 133 PHE HZ :M 135 ILE 1HD1 : -0.494: 0
: 2613:M 156 PHE CD2 :M 75 LEU 2HD2 : -0.483: 0
: 2613:M 107 LEU H :M 107 LEU 2HD2 : -0.476: 0
: 2613:M 67 MET 1HB :M 71 PHE CE2 : -0.475: 0
: 2613:M 106 HIS HA :M 122 ASN HA : -0.471: 0
: 2613:M 164 LYS NZ :M 164 LYS HA : -0.469: 0
: 2613:M 107 LEU 2HD2 :M 122 ASN HA : -0.464: 0
: 2613:M 151 LEU 1HB :M 133 PHE CD2 : -0.462: 0
: 2613:M 122 ASN 2HD2 :M 122 ASN C : -0.461: 0
: 2613:M 160 VAL 2HG2 :M 71 PHE 2HB : -0.455: 0
: 2613:M 133 PHE HE1 :M 121 ILE 1HG2 : -0.449: 0
: 2613:M 107 LEU 2HB :M 71 PHE HE1 : -0.446: 0
: 2613:M 160 VAL 1HG1 :M 75 LEU O : -0.446: 0
: 2613:M 71 PHE HZ :M 121 ILE 1HG2 : -0.438: 0
: 2613:M 164 LYS 2HE :M 72 LYS HA : -0.432: 0
: 2613:M 107 LEU CB :M 71 PHE HE1 : -0.430: 0
: 2613:M 106 HIS HA :M 122 ASN CB : -0.429: 0
: 2613:M 166 ASN O :M 167 LEU 1HB : -0.424: 0
: 2613:M 59 LEU 2HD1 :M 64 PHE HD1 : -0.413: 0
: 2613:M 64 PHE HD2 :M 167 LEU CD2 : -0.410: 0
: 2613:M 157 GLN 2HE2 :M 157 GLN CA : -0.409: 0
: 2613:M 120 GLU 1HG :M 109 THR 3HG2 : -0.856: 0
: 2613:M 94 LYS 2HD :M 99 PHE HE2 : -0.793: 0
: 2613:M 99 PHE 1HB :M 127 ASN 2HB : -0.517: 0
: 2613:M 28 GLU CB :M 17 THR HA : -0.711: 0
: 2613:M 155 GLU 1HB :M 18 LEU 2HB : -0.681: 0
: 2613:M 28 GLU 2HB :M 17 THR HA : -0.618: 0
: 2613:M 28 GLU 1HB :M 16 LEU O : -0.614: 0
: 2613:M 16 LEU 1HD1 :M 159 MET HA : -0.458: 0
: 2613:M 17 THR HA :M 28 GLU 1HB : -0.447: 0
: 2613:M 158 THR HB :M 155 GLU HA : -0.444: 0
: 2613:M 18 LEU 2HB :M 155 GLU CB : -0.425: 0
: 2613:M 28 GLU HA :M 18 LEU HG : -0.409: 0
: 2613:M 70 ALA CB :M 108 LEU HG : -0.689: 0
: 2613:M 70 ALA 1HB :M 108 LEU HG : -0.462: 0
: 2613:M 25 TRP 1HB :M 21 ASN 2HB : -0.678: 0
: 2613:M 20 GLU HA :M 25 TRP O : -0.546: 0
: 2613:M 25 TRP HZ2 :M 52 LYS 1HD : -0.434: 0
: 2613:M 25 TRP HA :M 46 TRP O : -0.404: 0
: 2613:M 131 ALA 2HB :M 104 GLU 2HG : -0.664: 0
: 2613:M 131 ALA 1HB :M 123 ARG 2HB : -0.461: 0
: 2613:M 132 LYS O :M 123 ARG HA : -0.428: 0
: 2613:M 31 ARG 2HD :M 39 ALA 1HB : -0.663: 0
: 2613:M 31 ARG 2HB :M 39 ALA 1HB : -0.434: 0
: 2613:M 33 SER 1HB :M 36 GLY O : -0.615: 0
: 2613:M 33 SER 1HB :M 37 ALA HA : -0.549: 0
: 2613:M 37 ALA HA :M 33 SER CB : -0.422: 0
: 2613:M 38 PRO 2HD :M 37 ALA N : -0.415: 0
: 2613:M 96 MET 1HG :M 95 LYS 2HG : -0.583: 0
: 2613:M 44 ARG HA :M 149 ILE 2HD1 : -0.556: 0
: 2613:M 149 ILE 1HD1 :M 27 LYS 2HD : -0.520: 0
: 2613:M 56 GLY 1HA :M 149 ILE HB : -0.421: 0
: 2613:M 56 GLY 2HA :M 44 ARG CB : -0.410: 0
: 2613:M 43 ILE 3HG2 :M 29 ILE 1HG1 : -0.539: 0
: 2613:M 43 ILE 1HG1 :M 29 ILE 3HG2 : -0.532: 0
: 2613:M 43 ILE 1HG1 :M 29 ILE 1HG1 : -0.483: 0
: 2613:M 62 GLU H :M 62 GLU CD : -0.533: 0
: 2613:M 129 ALA 1HB :M 130 PRO 1HD : -0.528: 0
: 2613:M 125 SER OG :M 102 GLU 1HB : -0.526: 0
: 2613:M 124 VAL 1HG1 :M 101 PHE 1HB : -0.492: 0
: 2613:M 101 PHE 1HB :M 124 VAL CG1 : -0.479: 0
: 2613:M 115 LYS 1HB :M 114 GLU O : -0.485: 0
: 2613:M 137 ALA 3HB :M 147 LYS 1HB : -0.457: 0
: 2613:M 103 ILE N :M 103 ILE 2HD1 : -0.456: 0
: 2613:M 138 TRP HE3 :M 139 SER O : -0.452: 0
: 2613:M 139 SER 1HB :M 117 TRP CZ2 : -0.444: 0
: 2613:M 8 THR 3HG2 :M 35 ASN HA : -0.425: 0
: 2613:M 35 ASN 1HD2 :M 7 PHE HD2 : -0.409: 0
: 2613:M 35 ASN 1HD2 :M 7 PHE 1HB : -0.402: 0
: 2613:M 144 LYS 1HE :M 144 LYS 2HB : -0.409: 0
#sum2 ::33.30 clashscore : 33.30 clashscore B<40
#summary::2613 atoms:2613 atoms B<40:296380 potential dots:18520.0 A^2:87 bumps:87 bumps B<40:426.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2613:M 72 LYS 1HG :M 68 VAL O : -0.701: 0
: 2613:M 72 LYS 1HD :M 164 LYS 1HE : -0.660: 0
: 2613:M 72 LYS NZ :M 164 LYS HA : -0.644: 0
: 2613:M 108 LEU 3HD1 :M 70 ALA CB : -0.570: 0
: 2613:M 64 PHE O :M 68 VAL 3HG2 : -0.567: 0
: 2613:M 72 LYS O :M 76 GLU 2HB : -0.522: 0
: 2613:M 67 MET 1HG :M 64 PHE O : -0.520: 0
: 2613:M 108 LEU 1HD1 :M 67 MET HA : -0.507: 0
: 2613:M 72 LYS 1HE :M 164 LYS 1HB : -0.499: 0
: 2613:M 67 MET 1HB :M 71 PHE CE2 : -0.468: 0
: 2613:M 164 LYS 2HB :M 161 ASP O : -0.459: 0
: 2613:M 164 LYS HA :M 72 LYS 3HZ : -0.433: 0
: 2613:M 167 LEU 3HD2 :M 65 GLN 1HG : -0.684: 0
: 2613:M 168 GLU 1HB :M 167 LEU O : -0.621: 0
: 2613:M 65 GLN CA :M 65 GLN 2HE2 : -0.513: 0
: 2613:M 120 GLU 2HG :M 109 THR HA : -0.652: 0
: 2613:M 118 THR HB :M 138 TRP 1HB : -0.498: 0
: 2613:M 138 TRP HE1 :M 120 GLU 2HB : -0.422: 0
: 2613:M 63 GLU 2HG :M 111 SER 1HB : -0.627: 0
: 2613:M 110 LEU 3HD1 :M 63 GLU 2HB : -0.625: 0
: 2613:M 43 ILE 2HG2 :M 149 ILE 3HD1 : -0.599: 0
: 2613:M 133 PHE HE2 :M 153 ASN HA : -0.589: 0
: 2613:M 147 LYS 2HB :M 57 ILE HA : -0.584: 0
: 2613:M 121 ILE 2HG2 :M 107 LEU 2HD1 : -0.582: 0
: 2613:M 29 ILE N :M 28 GLU 1HG : -0.573: 0
: 2613:M 43 ILE O :M 56 GLY 1HA : -0.565: 0
: 2613:M 57 ILE 1HD1 :M 119 LYS 1HD : -0.564: 0
: 2613:M 43 ILE 3HG2 :M 29 ILE 1HG1 : -0.563: 0
: 2613:M 56 GLY 2HA :M 44 ARG 2HG : -0.561: 0
: 2613:M 44 ARG 1HB :M 42 ASP OD2 : -0.559: 0
: 2613:M 110 LEU 1HD1 :M 121 ILE 2HG1 : -0.536: 0
: 2613:M 135 ILE O :M 148 GLY 1HA : -0.518: 0
: 2613:M 43 ILE 1HG1 :M 29 ILE 3HG2 : -0.515: 0
: 2613:M 57 ILE 3HD1 :M 135 ILE 2HG2 : -0.515: 0
: 2613:M 43 ILE 1HG1 :M 29 ILE 1HG1 : -0.500: 0
: 2613:M 119 LYS CB :M 63 GLU 1HG : -0.488: 0
: 2613:M 135 ILE 3HG2 :M 121 ILE 1HG1 : -0.486: 0
: 2613:M 121 ILE 3HG2 :M 135 ILE 1HG1 : -0.452: 0
: 2613:M 119 LYS 2HB :M 63 GLU 1HG : -0.441: 0
: 2613:M 57 ILE 2HG2 :M 149 ILE 2HG2 : -0.423: 0
: 2613:M 107 LEU 1HD1 :M 133 PHE HD1 : -0.420: 0
: 2613:M 121 ILE 1HG1 :M 135 ILE 1HG1 : -0.419: 0
: 2613:M 110 LEU 1HD1 :M 121 ILE CG1 : -0.409: 0
: 2613:M 57 ILE 2HD1 :M 136 ARG HA : -0.403: 0
: 2613:M 14 HIS ND1 :M 28 GLU OE2 : -0.401: 0
: 2613:M 124 VAL 2HG2 :M 103 ILE 1HG1 : -0.618: 0
: 2613:M 115 LYS 1HB :M 117 TRP HD1 : -0.609: 0
: 2613:M 115 LYS 1HB :M 114 GLU O : -0.432: 0
: 2613:M 156 PHE O :M 159 MET 1HG : -0.572: 0
: 2613:M 162 ALA 3HB :M 16 LEU 1HD1 : -0.571: 0
: 2613:M 16 LEU 1HD1 :M 159 MET HA : -0.561: 0
: 2613:M 155 GLU 2HB :M 18 LEU 3HD1 : -0.543: 0
: 2613:M 16 LEU 2HD2 :M 18 LEU 3HD2 : -0.530: 0
: 2613:M 155 GLU OE2 :M 152 SER 2HB : -0.526: 0
: 2613:M 156 PHE O :M 160 VAL 3HG2 : -0.523: 0
: 2613:M 75 LEU 3HD2 :M 160 VAL 1HG2 : -0.508: 0
: 2613:M 75 LEU 3HD2 :M 160 VAL CG2 : -0.413: 0
: 2613:M 32 VAL 2HG2 :M 11 ILE HA : -0.565: 0
: 2613:M 11 ILE 2HD1 :M 11 ILE N : -0.445: 0
: 2613:M 11 ILE 2HG1 :M 32 VAL CG2 : -0.430: 0
: 2613:M 129 ALA 1HB :M 130 PRO 1HD : -0.524: 0
: 2613:M 33 SER 1HB :M 10 GLU CG : -0.518: 0
: 2613:M 13 GLU CD :M 31 ARG 1HH2 : -0.503: 0
: 2613:M 39 ALA 1HB :M 31 ARG 1HG : -0.481: 0
: 2613:M 39 ALA CB :M 31 ARG 1HG : -0.463: 0
: 2613:M 31 ARG HA :M 40 LYS O : -0.423: 0
: 2613:M 25 TRP HA :M 46 TRP O : -0.471: 0
: 2613:M 52 LYS 2HD :M 25 TRP HH2 : -0.407: 0
: 2613:M 144 LYS 1HE :M 141 ASP OD1 : -0.447: 0
: 2613:M 140 PRO 2HD :M 139 SER HA : -0.423: 0
: 2613:M 141 ASP H :M 139 SER C : -0.410: 0
: 2613:M 23 LYS 1HB :M 23 LYS 2HE : -0.428: 0
: 2613:M 20 GLU HA :M 26 THR HA : -0.427: 0
: 2613:M 15 LEU 1HD1 :M 41 PHE HD1 : -0.412: 0
: 2613:M 47 SER 2HB :M 48 PRO 1HD : -0.402: 0
#sum2 ::28.70 clashscore : 28.70 clashscore B<40
#summary::2613 atoms:2613 atoms B<40:296588 potential dots:18540.0 A^2:75 bumps:75 bumps B<40:459.8 score
Output from PDB validation software
Summary from PDB validation
May. 10, 23:03:07 2013
[ Text modified to reflect that this was run under PSVS - Aneerban Bhattacharya: Dec 2005 ]
The following checks were made on :
-----------------------------------------
CLOSE CONTACTS
==> Distances smaller than 2.2 Angstroms are considered as close contacts
for heavy atoms, 1.6 Angstroms for hydrogens.
Chain Atom Res Seq Chain Atom Res Seq Mol_ID Distance
-------------------------------------------------------------------------
A 2HG LYS 72 - B 2HG LYS 72 1 Dist = 1.34
B 1HG GLU 76 - B H HIS 78 13 Dist = 1.38
B 2HG2 THR 17 - B 1HG GLU 28 15 Dist = 1.39
B 3HD2 LEU 59 - B HD1 PHE 64 6 Dist = 1.40
B 2HD2 LEU 15 - B 2HG2 ILE 29 19 Dist = 1.40
A 2HG LYS 55 - B HA ILE 57 10 Dist = 1.40
B 2HD LYS 2 - B HE2 PHE 7 19 Dist = 1.40
A HA ASP 69 - A 1HE LYS 72 10 Dist = 1.43
B 2HG GLU 12 - B HG SER 33 11 Dist = 1.44
A 1HG ARG 44 - A 2HA GLY 56 17 Dist = 1.44
A HD2 PHE 7 - A 1HD2 ASN 35 15 Dist = 1.45
A 2HG LYS 72 - B 2HG LYS 72 6 Dist = 1.45
A 2HG MET 4 - A H GLU 6 4 Dist = 1.45
A 2HG LYS 72 - B 2HG LYS 72 15 Dist = 1.45
B HZ3 TRP 25 - B 1HA GLY 54 16 Dist = 1.46
A 1HG2 THR 17 - A 1HG GLU 28 2 Dist = 1.46
A 1HB PHE 34 - A 1HB ALA 37 2 Dist = 1.47
B 1HB SER 47 - B HA THR 51 7 Dist = 1.48
A 1HG ARG 44 - A 2HA GLY 56 6 Dist = 1.48
B 3HG2 THR 17 - B 1HG GLU 28 19 Dist = 1.49
B 1HH1 ARG 31 - B 1HB ALA 39 5 Dist = 1.50
A HD2 PHE 7 - A 1HD2 ASN 35 10 Dist = 1.50
A 2HB LEU 18 - B 1HB GLU 63 4 Dist = 1.50
A HD2 PHE 64 - B 1HD2 LEU 75 5 Dist = 1.50
A H THR 8 - A 1HB ASN 35 2 Dist = 1.50
B 2HB SER 47 - B 1HE LYS 52 12 Dist = 1.51
A OE2 GLU 63 - B 2HZ LYS 27 11 Dist = 1.53
A HZ3 TRP 25 - A 1HA GLY 54 17 Dist = 1.53
B 2HG GLU 12 - B HG SER 33 7 Dist = 1.53
B HA ASP 69 - B 1HE LYS 72 16 Dist = 1.54
A OE1 GLU 12 - A HG SER 33 2 Dist = 1.55
B 1HZ LYS 72 - B OE1 GLU 76 19 Dist = 1.55
A 1HD LYS 27 - B 1HG GLU 63 17 Dist = 1.55
B OD1 ASP 49 - B HG1 THR 51 13 Dist = 1.55
A HD1 HIS 14 - A OE2 GLU 28 20 Dist = 1.55
A 1HG GLU 63 - B HG SER 19 12 Dist = 1.56
A 3HZ LYS 72 - B OE1 GLU 76 1 Dist = 1.56
B HD1 PHE 7 - B 1HB ASN 35 17 Dist = 1.56
A 1HZ LYS 27 - B OE1 GLU 63 19 Dist = 1.56
A 2HB GLU 63 - B 2HB LEU 18 17 Dist = 1.56
A 2HZ LYS 27 - B OE1 GLU 63 7 Dist = 1.56
A OE2 GLU 76 - A HD1 HIS 79 10 Dist = 1.56
A HD1 HIS 14 - A OE1 GLU 28 4 Dist = 1.56
B OD1 ASP 69 - B 3HZ LYS 72 2 Dist = 1.56
B 1HB SER 60 - B 2HG GLU 63 10 Dist = 1.56
A 2HB LYS 55 - B 2HG1 ILE 57 10 Dist = 1.57
B 1HG1 ILE 29 - B 1HG1 ILE 43 12 Dist = 1.57
A OD1 ASP 42 - A HE ARG 44 19 Dist = 1.57
B 1HB ARG 44 - B HA LYS 55 17 Dist = 1.57
A 2HB LEU 75 - B 2HG1 VAL 68 5 Dist = 1.57
B 1HB GLU 10 - B 2HB SER 33 6 Dist = 1.58
A OD1 ASP 42 - A HE ARG 44 12 Dist = 1.58
B OD1 ASP 42 - B HE ARG 44 7 Dist = 1.58
A OE1 GLU 76 - B 3HZ LYS 72 3 Dist = 1.58
A 2HZ LYS 72 - B OE1 GLU 76 17 Dist = 1.58
A OD2 ASP 49 - A 2HZ LYS 52 9 Dist = 1.58
A HG1 THR 17 - A OE1 GLU 28 16 Dist = 1.58
A HD1 HIS 14 - A OE1 GLU 28 11 Dist = 1.58
B HE1 PHE 41 - B HA ASN 61 18 Dist = 1.58
A OE2 GLU 63 - B HG SER 19 4 Dist = 1.59
A 2HZ LYS 72 - B OE2 GLU 76 10 Dist = 1.59
B HE2 PHE 41 - B HA ASN 61 3 Dist = 1.59
A 1HZ LYS 27 - B OE1 GLU 63 20 Dist = 1.59
A OD1 ASP 42 - A 1HH2 ARG 44 4 Dist = 1.59
B OE2 GLU 76 - B HD1 HIS 78 14 Dist = 1.59
A OE1 GLU 76 - B 3HZ LYS 72 8 Dist = 1.59
A HD1 HIS 14 - A OE2 GLU 28 15 Dist = 1.59
A OE1 GLU 76 - B 2HZ LYS 72 4 Dist = 1.59
B 1HB LYS 23 - B HD1 TRP 25 20 Dist = 1.59
B HD1 HIS 14 - B OE1 GLU 28 14 Dist = 1.59
B HG SER 60 - B OE1 GLU 62 19 Dist = 1.59
A OE1 GLU 63 - B 2HZ LYS 27 10 Dist = 1.59
A OE1 GLU 76 - B 1HZ LYS 72 1 Dist = 1.59
A HD2 PHE 7 - A 1HD2 ASN 35 19 Dist = 1.60
B OE1 GLU 76 - B HE2 HIS 79 4 Dist = 1.60
B OD2 ASP 42 - B HG1 THR 58 18 Dist = 1.60
B HE1 PHE 41 - B HA ASN 61 8 Dist = 1.60
A 2HZ LYS 27 - B OE2 GLU 63 17 Dist = 1.60
B HD1 HIS 80 - B O HIS 82 9 Dist = 1.60
B HD1 PHE 7 - B 1HD2 ASN 35 3 Dist = 1.60
B HH2 TRP 25 - B HA LYS 52 18 Dist = 1.60
B HE2 HIS 14 - B OE2 GLU 28 18 Dist = 1.60
B OE2 GLU 76 - B HD1 HIS 78 9 Dist = 1.60
A OE2 GLU 63 - B 2HZ LYS 27 15 Dist = 1.60
A 2HG LYS 72 - B 1HE LYS 72 8 Dist = 1.60
A 3HG2 ILE 43 - B 3HD1 ILE 57 9 Dist = 1.60
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 0.004 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
------------------------------------------------------------------------
-0.029 THR B 8 10 C - N 1.300 1.329
*** Covalent Angle Values:
The RMS deviation for covalent angles relative to the standard
dictionary is 0.6 degrees.
The following table contains a list of the covalent bond angles
greater than 6.0*RMSD.
Deviation Residue Chain Sequence Model AT1 - AT2 - AT3 Bond Dictionary
Name ID Number Angle Value
--------------------------------------------------------------------------------
-4.0 HIS A 81 2 N - CA - C 107.2 111.2
-4.5 MET A 4 8 N - CA - C 106.7 111.2
-4.0 HIS A 78 11 N - CA - C 107.2 111.2
TORSION ANGLES
The torsion angle distributions have been checked. The postscript file of the
conformation rings showing the torsion angle distributions will be sent in a
separate E-mail message.
CHIRALITY
The chirality has been checked. O1P, O2P, and hydrogen atoms which do not
follow the convention defined in the IUBMB (Liebecq, C. Compendium of
Biochemical Nomenclature and Related Documents, 2nd ed.; Portland Press:
London and Chapel Hill, 1992) and IUPAC nomenclature (J.L. Markley, A. Bax,
Y. Arata, C.W. Hilbers, R. Kaptein, B.D. Sykes, P.E. Wright and K. Wüthrich,
Recommendations for the Presentation of NMR Structures of Proteins and
Nucleic Acids, Pure & Appl. Chem., Vol. 70, pp. 117-142, 1998) have been
standardized. Any other stereochemical violations are listed below.
E/Z NOMENCLATURE
E/Z nomenclature of hydrogens and/or nitrogens on Arg, Asn or Gln residues needs
to be corrected to conform with the standard for E/Z orientation presented in
[J.L. Markley, et al., Recommendations for the Presentation of NMR Structures of
Proteins and Nucleic Acids, Pure & Appl. Chem., 1998, 70, 117-142].
Model Chain Residue Residue Atom Name Original
Name Number Atom Name
----- ----- ------- ------- -------- ---------
1 A ASN 21 1HD2
1 A ASN 21 2HD2
1 A ASN 30 1HD2
1 A ASN 30 2HD2
1 A ASN 35 1HD2
1 A ASN 35 2HD2
1 A ASN 61 1HD2
1 A ASN 61 2HD2
1 A GLN 65 1HE2
1 A GLN 65 2HE2
1 A ASN 74 1HD2
1 A ASN 74 2HD2
1 B ASN 21 1HD2
1 B ASN 21 2HD2
1 B ASN 30 1HD2
1 B ASN 30 2HD2
1 B ASN 35 1HD2
1 B ASN 35 2HD2
1 B ASN 61 1HD2
1 B ASN 61 2HD2
1 B GLN 65 1HE2
1 B GLN 65 2HE2
1 B ASN 74 1HD2
1 B ASN 74 2HD2
2 A ASN 21 1HD2
2 A ASN 21 2HD2
2 A ASN 30 1HD2
2 A ASN 30 2HD2
2 A ASN 35 1HD2
2 A ASN 35 2HD2
2 A ASN 61 1HD2
2 A ASN 61 2HD2
2 A GLN 65 1HE2
2 A GLN 65 2HE2
2 A ASN 74 1HD2
2 A ASN 74 2HD2
2 B ASN 21 1HD2
2 B ASN 21 2HD2
2 B ASN 30 1HD2
2 B ASN 30 2HD2
2 B ASN 35 1HD2
2 B ASN 35 2HD2
2 B ASN 61 1HD2
2 B ASN 61 2HD2
2 B GLN 65 1HE2
2 B GLN 65 2HE2
2 B ASN 74 1HD2
2 B ASN 74 2HD2
3 A ASN 21 1HD2
3 A ASN 21 2HD2
3 A ASN 30 1HD2
3 A ASN 30 2HD2
3 A ASN 35 1HD2
3 A ASN 35 2HD2
3 A ASN 61 1HD2
3 A ASN 61 2HD2
3 A GLN 65 1HE2
3 A GLN 65 2HE2
3 A ASN 74 1HD2
3 A ASN 74 2HD2
3 B ASN 21 1HD2
3 B ASN 21 2HD2
3 B ASN 30 1HD2
3 B ASN 30 2HD2
3 B ASN 35 1HD2
3 B ASN 35 2HD2
3 B ASN 61 1HD2
3 B ASN 61 2HD2
3 B GLN 65 1HE2
3 B GLN 65 2HE2
3 B ASN 74 1HD2
3 B ASN 74 2HD2
4 A ASN 21 1HD2
4 A ASN 21 2HD2
4 A ASN 30 1HD2
4 A ASN 30 2HD2
4 A ASN 35 1HD2
4 A ASN 35 2HD2
4 A ASN 61 1HD2
4 A ASN 61 2HD2
4 A GLN 65 1HE2
4 A GLN 65 2HE2
4 A ASN 74 1HD2
4 A ASN 74 2HD2
4 B ASN 21 1HD2
4 B ASN 21 2HD2
4 B ASN 30 1HD2
4 B ASN 30 2HD2
4 B ASN 35 1HD2
4 B ASN 35 2HD2
4 B ASN 61 1HD2
4 B ASN 61 2HD2
4 B GLN 65 1HE2
4 B GLN 65 2HE2
4 B ASN 74 1HD2
4 B ASN 74 2HD2
5 A ASN 21 1HD2
5 A ASN 21 2HD2
5 A ASN 30 1HD2
5 A ASN 30 2HD2
5 A ASN 35 1HD2
5 A ASN 35 2HD2
5 A ASN 61 1HD2
5 A ASN 61 2HD2
5 A GLN 65 1HE2
5 A GLN 65 2HE2
5 A ASN 74 1HD2
5 A ASN 74 2HD2
5 B ASN 21 1HD2
5 B ASN 21 2HD2
5 B ASN 30 1HD2
5 B ASN 30 2HD2
5 B ASN 35 1HD2
5 B ASN 35 2HD2
5 B ASN 61 1HD2
5 B ASN 61 2HD2
5 B GLN 65 1HE2
5 B GLN 65 2HE2
5 B ASN 74 1HD2
5 B ASN 74 2HD2
6 A ASN 21 1HD2
6 A ASN 21 2HD2
6 A ASN 30 1HD2
6 A ASN 30 2HD2
6 A ASN 35 1HD2
6 A ASN 35 2HD2
6 A ASN 61 1HD2
6 A ASN 61 2HD2
6 A GLN 65 1HE2
6 A GLN 65 2HE2
6 A ASN 74 1HD2
6 A ASN 74 2HD2
6 B ASN 21 1HD2
6 B ASN 21 2HD2
6 B ASN 30 1HD2
6 B ASN 30 2HD2
6 B ASN 35 1HD2
6 B ASN 35 2HD2
6 B ASN 61 1HD2
6 B ASN 61 2HD2
6 B GLN 65 1HE2
6 B GLN 65 2HE2
6 B ASN 74 1HD2
6 B ASN 74 2HD2
7 A ASN 21 1HD2
7 A ASN 21 2HD2
7 A ASN 30 1HD2
7 A ASN 30 2HD2
7 A ASN 35 1HD2
7 A ASN 35 2HD2
7 A ASN 61 1HD2
7 A ASN 61 2HD2
7 A GLN 65 1HE2
7 A GLN 65 2HE2
7 A ASN 74 1HD2
7 A ASN 74 2HD2
7 B ASN 21 1HD2
7 B ASN 21 2HD2
7 B ASN 30 1HD2
7 B ASN 30 2HD2
7 B ASN 35 1HD2
7 B ASN 35 2HD2
7 B ASN 61 1HD2
7 B ASN 61 2HD2
7 B GLN 65 1HE2
7 B GLN 65 2HE2
7 B ASN 74 1HD2
7 B ASN 74 2HD2
8 A ASN 21 1HD2
8 A ASN 21 2HD2
8 A ASN 30 1HD2
8 A ASN 30 2HD2
8 A ASN 35 1HD2
8 A ASN 35 2HD2
8 A ASN 61 1HD2
8 A ASN 61 2HD2
8 A GLN 65 1HE2
8 A GLN 65 2HE2
8 A ASN 74 1HD2
8 A ASN 74 2HD2
8 B ASN 21 1HD2
8 B ASN 21 2HD2
8 B ASN 30 1HD2
8 B ASN 30 2HD2
8 B ASN 35 1HD2
8 B ASN 35 2HD2
8 B ASN 61 1HD2
8 B ASN 61 2HD2
8 B GLN 65 1HE2
8 B GLN 65 2HE2
8 B ASN 74 1HD2
8 B ASN 74 2HD2
9 A ASN 21 1HD2
9 A ASN 21 2HD2
9 A ASN 30 1HD2
9 A ASN 30 2HD2
9 A ASN 35 1HD2
9 A ASN 35 2HD2
9 A ASN 61 1HD2
9 A ASN 61 2HD2
9 A GLN 65 1HE2
9 A GLN 65 2HE2
9 A ASN 74 1HD2
9 A ASN 74 2HD2
9 B ASN 21 1HD2
9 B ASN 21 2HD2
9 B ASN 30 1HD2
9 B ASN 30 2HD2
9 B ASN 35 1HD2
9 B ASN 35 2HD2
9 B ASN 61 1HD2
9 B ASN 61 2HD2
9 B GLN 65 1HE2
9 B GLN 65 2HE2
9 B ASN 74 1HD2
9 B ASN 74 2HD2
10 A ASN 21 1HD2
10 A ASN 21 2HD2
10 A ASN 30 1HD2
10 A ASN 30 2HD2
10 A ASN 35 1HD2
10 A ASN 35 2HD2
10 A ASN 61 1HD2
10 A ASN 61 2HD2
10 A GLN 65 1HE2
10 A GLN 65 2HE2
10 A ASN 74 1HD2
10 A ASN 74 2HD2
10 B ASN 21 1HD2
10 B ASN 21 2HD2
10 B ASN 30 1HD2
10 B ASN 30 2HD2
10 B ASN 35 1HD2
10 B ASN 35 2HD2
10 B ASN 61 1HD2
10 B ASN 61 2HD2
10 B GLN 65 1HE2
10 B GLN 65 2HE2
10 B ASN 74 1HD2
10 B ASN 74 2HD2
11 A ASN 21 1HD2
11 A ASN 21 2HD2
11 A ASN 30 1HD2
11 A ASN 30 2HD2
11 A ASN 35 1HD2
11 A ASN 35 2HD2
11 A ASN 61 1HD2
11 A ASN 61 2HD2
11 A GLN 65 1HE2
11 A GLN 65 2HE2
11 A ASN 74 1HD2
11 A ASN 74 2HD2
11 B ASN 21 1HD2
11 B ASN 21 2HD2
11 B ASN 30 1HD2
11 B ASN 30 2HD2
11 B ASN 35 1HD2
11 B ASN 35 2HD2
11 B ASN 61 1HD2
11 B ASN 61 2HD2
11 B GLN 65 1HE2
11 B GLN 65 2HE2
11 B ASN 74 1HD2
11 B ASN 74 2HD2
12 A ASN 21 1HD2
12 A ASN 21 2HD2
12 A ASN 30 1HD2
12 A ASN 30 2HD2
12 A ASN 35 1HD2
12 A ASN 35 2HD2
12 A ASN 61 1HD2
12 A ASN 61 2HD2
12 A GLN 65 1HE2
12 A GLN 65 2HE2
12 A ASN 74 1HD2
12 A ASN 74 2HD2
12 B ASN 21 1HD2
12 B ASN 21 2HD2
12 B ASN 30 1HD2
12 B ASN 30 2HD2
12 B ASN 35 1HD2
12 B ASN 35 2HD2
12 B ASN 61 1HD2
12 B ASN 61 2HD2
12 B GLN 65 1HE2
12 B GLN 65 2HE2
12 B ASN 74 1HD2
12 B ASN 74 2HD2
13 A ASN 21 1HD2
13 A ASN 21 2HD2
13 A ASN 30 1HD2
13 A ASN 30 2HD2
13 A ASN 35 1HD2
13 A ASN 35 2HD2
13 A ASN 61 1HD2
13 A ASN 61 2HD2
13 A GLN 65 1HE2
13 A GLN 65 2HE2
13 A ASN 74 1HD2
13 A ASN 74 2HD2
13 B ASN 21 1HD2
13 B ASN 21 2HD2
13 B ASN 30 1HD2
13 B ASN 30 2HD2
13 B ASN 35 1HD2
13 B ASN 35 2HD2
13 B ASN 61 1HD2
13 B ASN 61 2HD2
13 B GLN 65 1HE2
13 B GLN 65 2HE2
13 B ASN 74 1HD2
13 B ASN 74 2HD2
14 A ASN 21 1HD2
14 A ASN 21 2HD2
14 A ASN 30 1HD2
14 A ASN 30 2HD2
14 A ASN 35 1HD2
14 A ASN 35 2HD2
14 A ASN 61 1HD2
14 A ASN 61 2HD2
14 A GLN 65 1HE2
14 A GLN 65 2HE2
14 A ASN 74 1HD2
14 A ASN 74 2HD2
14 B ASN 21 1HD2
14 B ASN 21 2HD2
14 B ASN 30 1HD2
14 B ASN 30 2HD2
14 B ASN 35 1HD2
14 B ASN 35 2HD2
14 B ASN 61 1HD2
14 B ASN 61 2HD2
14 B GLN 65 1HE2
14 B GLN 65 2HE2
14 B ASN 74 1HD2
14 B ASN 74 2HD2
15 A ASN 21 1HD2
15 A ASN 21 2HD2
15 A ASN 30 1HD2
15 A ASN 30 2HD2
15 A ASN 35 1HD2
15 A ASN 35 2HD2
15 A ASN 61 1HD2
15 A ASN 61 2HD2
15 A GLN 65 1HE2
15 A GLN 65 2HE2
15 A ASN 74 1HD2
15 A ASN 74 2HD2
15 B ASN 21 1HD2
15 B ASN 21 2HD2
15 B ASN 30 1HD2
15 B ASN 30 2HD2
15 B ASN 35 1HD2
15 B ASN 35 2HD2
15 B ASN 61 1HD2
15 B ASN 61 2HD2
15 B GLN 65 1HE2
15 B GLN 65 2HE2
15 B ASN 74 1HD2
15 B ASN 74 2HD2
16 A ASN 21 1HD2
16 A ASN 21 2HD2
16 A ASN 30 1HD2
16 A ASN 30 2HD2
16 A ASN 35 1HD2
16 A ASN 35 2HD2
16 A ASN 61 1HD2
16 A ASN 61 2HD2
16 A GLN 65 1HE2
16 A GLN 65 2HE2
16 A ASN 74 1HD2
16 A ASN 74 2HD2
16 B ASN 21 1HD2
16 B ASN 21 2HD2
16 B ASN 30 1HD2
16 B ASN 30 2HD2
16 B ASN 35 1HD2
16 B ASN 35 2HD2
16 B ASN 61 1HD2
16 B ASN 61 2HD2
16 B GLN 65 1HE2
16 B GLN 65 2HE2
16 B ASN 74 1HD2
16 B ASN 74 2HD2
17 A ASN 21 1HD2
17 A ASN 21 2HD2
17 A ASN 30 1HD2
17 A ASN 30 2HD2
17 A ASN 35 1HD2
17 A ASN 35 2HD2
17 A ASN 61 1HD2
17 A ASN 61 2HD2
17 A GLN 65 1HE2
17 A GLN 65 2HE2
17 A ASN 74 1HD2
17 A ASN 74 2HD2
17 B ASN 21 1HD2
17 B ASN 21 2HD2
17 B ASN 30 1HD2
17 B ASN 30 2HD2
17 B ASN 35 1HD2
17 B ASN 35 2HD2
17 B ASN 61 1HD2
17 B ASN 61 2HD2
17 B GLN 65 1HE2
17 B GLN 65 2HE2
17 B ASN 74 1HD2
17 B ASN 74 2HD2
18 A ASN 21 1HD2
18 A ASN 21 2HD2
18 A ASN 30 1HD2
18 A ASN 30 2HD2
18 A ASN 35 1HD2
18 A ASN 35 2HD2
18 A ASN 61 1HD2
18 A ASN 61 2HD2
18 A GLN 65 1HE2
18 A GLN 65 2HE2
18 A ASN 74 1HD2
18 A ASN 74 2HD2
18 B ASN 21 1HD2
18 B ASN 21 2HD2
18 B ASN 30 1HD2
18 B ASN 30 2HD2
18 B ASN 35 1HD2
18 B ASN 35 2HD2
18 B ASN 61 1HD2
18 B ASN 61 2HD2
18 B GLN 65 1HE2
18 B GLN 65 2HE2
18 B ASN 74 1HD2
18 B ASN 74 2HD2
19 A ASN 21 1HD2
19 A ASN 21 2HD2
19 A ASN 30 1HD2
19 A ASN 30 2HD2
19 A ASN 35 1HD2
19 A ASN 35 2HD2
19 A ASN 61 1HD2
19 A ASN 61 2HD2
19 A GLN 65 1HE2
19 A GLN 65 2HE2
19 A ASN 74 1HD2
19 A ASN 74 2HD2
19 B ASN 21 1HD2
19 B ASN 21 2HD2
19 B ASN 30 1HD2
19 B ASN 30 2HD2
19 B ASN 35 1HD2
19 B ASN 35 2HD2
19 B ASN 61 1HD2
19 B ASN 61 2HD2
19 B GLN 65 1HE2
19 B GLN 65 2HE2
19 B ASN 74 1HD2
19 B ASN 74 2HD2
20 A ASN 21 1HD2
20 A ASN 21 2HD2
20 A ASN 30 1HD2
20 A ASN 30 2HD2
20 A ASN 35 1HD2
20 A ASN 35 2HD2
20 A ASN 61 1HD2
20 A ASN 61 2HD2
20 A GLN 65 1HE2
20 A GLN 65 2HE2
20 A ASN 74 1HD2
20 A ASN 74 2HD2
20 B ASN 21 1HD2
20 B ASN 21 2HD2
20 B ASN 30 1HD2
20 B ASN 30 2HD2
20 B ASN 35 1HD2
20 B ASN 35 2HD2
20 B ASN 61 1HD2
20 B ASN 61 2HD2
20 B GLN 65 1HE2
20 B GLN 65 2HE2
20 B ASN 74 1HD2
20 B ASN 74 2HD2
OTHER IMPORTANT ISSUES
==> The following residues have missing atoms:
RES MOD#C SEQ ATOMS
GLU( 1 A 6) HE2
GLU( 1 A 10) HE2
GLU( 1 A 12) HE2
GLU( 1 A 13) HE2
GLU( 1 A 20) HE2
GLU( 1 A 22) HE2
GLU( 1 A 28) HE2
ASP( 1 A 42) HD2
ASP( 1 A 49) HD2
GLU( 1 A 62) HE2
GLU( 1 A 63) HE2
ASP( 1 A 69) HD2
GLU( 1 A 76) HE2
GLU( 1 B 6) HE2
GLU( 1 B 10) HE2
GLU( 1 B 12) HE2
GLU( 1 B 13) HE2
GLU( 1 B 20) HE2
GLU( 1 B 22) HE2
GLU( 1 B 28) HE2
ASP( 1 B 42) HD2
ASP( 1 B 49) HD2
GLU( 1 B 62) HE2
GLU( 1 B 63) HE2
ASP( 1 B 69) HD2
GLU( 1 B 76) HE2
GLU( 2 A 6) HE2
GLU( 2 A 10) HE2
GLU( 2 A 12) HE2
GLU( 2 A 13) HE2
GLU( 2 A 20) HE2
GLU( 2 A 22) HE2
GLU( 2 A 28) HE2
ASP( 2 A 42) HD2
ASP( 2 A 49) HD2
GLU( 2 A 62) HE2
GLU( 2 A 63) HE2
ASP( 2 A 69) HD2
GLU( 2 A 76) HE2
GLU( 2 B 6) HE2
GLU( 2 B 10) HE2
GLU( 2 B 12) HE2
GLU( 2 B 13) HE2
GLU( 2 B 20) HE2
GLU( 2 B 22) HE2
GLU( 2 B 28) HE2
ASP( 2 B 42) HD2
ASP( 2 B 49) HD2
GLU( 2 B 62) HE2
GLU( 2 B 63) HE2
ASP( 2 B 69) HD2
GLU( 2 B 76) HE2
GLU( 3 A 6) HE2
GLU( 3 A 10) HE2
GLU( 3 A 12) HE2
GLU( 3 A 13) HE2
GLU( 3 A 20) HE2
GLU( 3 A 22) HE2
GLU( 3 A 28) HE2
ASP( 3 A 42) HD2
ASP( 3 A 49) HD2
GLU( 3 A 62) HE2
GLU( 3 A 63) HE2
ASP( 3 A 69) HD2
GLU( 3 A 76) HE2
GLU( 3 B 6) HE2
GLU( 3 B 10) HE2
GLU( 3 B 12) HE2
GLU( 3 B 13) HE2
GLU( 3 B 20) HE2
GLU( 3 B 22) HE2
GLU( 3 B 28) HE2
ASP( 3 B 42) HD2
ASP( 3 B 49) HD2
GLU( 3 B 62) HE2
GLU( 3 B 63) HE2
ASP( 3 B 69) HD2
GLU( 3 B 76) HE2
GLU( 4 A 6) HE2
GLU( 4 A 10) HE2
GLU( 4 A 12) HE2
GLU( 4 A 13) HE2
GLU( 4 A 20) HE2
GLU( 4 A 22) HE2
GLU( 4 A 28) HE2
ASP( 4 A 42) HD2
ASP( 4 A 49) HD2
GLU( 4 A 62) HE2
GLU( 4 A 63) HE2
ASP( 4 A 69) HD2
GLU( 4 A 76) HE2
GLU( 4 B 6) HE2
GLU( 4 B 10) HE2
GLU( 4 B 12) HE2
GLU( 4 B 13) HE2
GLU( 4 B 20) HE2
GLU( 4 B 22) HE2
GLU( 4 B 28) HE2
ASP( 4 B 42) HD2
ASP( 4 B 49) HD2
GLU( 4 B 62) HE2
GLU( 4 B 63) HE2
ASP( 4 B 69) HD2
GLU( 4 B 76) HE2
GLU( 5 A 6) HE2
GLU( 5 A 10) HE2
GLU( 5 A 12) HE2
GLU( 5 A 13) HE2
GLU( 5 A 20) HE2
GLU( 5 A 22) HE2
GLU( 5 A 28) HE2
ASP( 5 A 42) HD2
ASP( 5 A 49) HD2
GLU( 5 A 62) HE2
GLU( 5 A 63) HE2
ASP( 5 A 69) HD2
GLU( 5 A 76) HE2
GLU( 5 B 6) HE2
GLU( 5 B 10) HE2
GLU( 5 B 12) HE2
GLU( 5 B 13) HE2
GLU( 5 B 20) HE2
GLU( 5 B 22) HE2
GLU( 5 B 28) HE2
ASP( 5 B 42) HD2
ASP( 5 B 49) HD2
GLU( 5 B 62) HE2
GLU( 5 B 63) HE2
ASP( 5 B 69) HD2
GLU( 5 B 76) HE2
GLU( 6 A 6) HE2
GLU( 6 A 10) HE2
GLU( 6 A 12) HE2
GLU( 6 A 13) HE2
GLU( 6 A 20) HE2
GLU( 6 A 22) HE2
GLU( 6 A 28) HE2
ASP( 6 A 42) HD2
ASP( 6 A 49) HD2
GLU( 6 A 62) HE2
GLU( 6 A 63) HE2
ASP( 6 A 69) HD2
GLU( 6 A 76) HE2
GLU( 6 B 6) HE2
GLU( 6 B 10) HE2
GLU( 6 B 12) HE2
GLU( 6 B 13) HE2
GLU( 6 B 20) HE2
GLU( 6 B 22) HE2
GLU( 6 B 28) HE2
ASP( 6 B 42) HD2
ASP( 6 B 49) HD2
GLU( 6 B 62) HE2
GLU( 6 B 63) HE2
ASP( 6 B 69) HD2
GLU( 6 B 76) HE2
GLU( 7 A 6) HE2
GLU( 7 A 10) HE2
GLU( 7 A 12) HE2
GLU( 7 A 13) HE2
GLU( 7 A 20) HE2
GLU( 7 A 22) HE2
GLU( 7 A 28) HE2
ASP( 7 A 42) HD2
ASP( 7 A 49) HD2
GLU( 7 A 62) HE2
GLU( 7 A 63) HE2
ASP( 7 A 69) HD2
GLU( 7 A 76) HE2
GLU( 7 B 6) HE2
GLU( 7 B 10) HE2
GLU( 7 B 12) HE2
GLU( 7 B 13) HE2
GLU( 7 B 20) HE2
GLU( 7 B 22) HE2
GLU( 7 B 28) HE2
ASP( 7 B 42) HD2
ASP( 7 B 49) HD2
GLU( 7 B 62) HE2
GLU( 7 B 63) HE2
ASP( 7 B 69) HD2
GLU( 7 B 76) HE2
GLU( 8 A 6) HE2
GLU( 8 A 10) HE2
GLU( 8 A 12) HE2
GLU( 8 A 13) HE2
GLU( 8 A 20) HE2
GLU( 8 A 22) HE2
GLU( 8 A 28) HE2
ASP( 8 A 42) HD2
ASP( 8 A 49) HD2
GLU( 8 A 62) HE2
GLU( 8 A 63) HE2
ASP( 8 A 69) HD2
GLU( 8 A 76) HE2
GLU( 8 B 6) HE2
GLU( 8 B 10) HE2
GLU( 8 B 12) HE2
GLU( 8 B 13) HE2
GLU( 8 B 20) HE2
GLU( 8 B 22) HE2
GLU( 8 B 28) HE2
ASP( 8 B 42) HD2
ASP( 8 B 49) HD2
GLU( 8 B 62) HE2
GLU( 8 B 63) HE2
ASP( 8 B 69) HD2
GLU( 8 B 76) HE2
GLU( 9 A 6) HE2
GLU( 9 A 10) HE2
GLU( 9 A 12) HE2
GLU( 9 A 13) HE2
GLU( 9 A 20) HE2
GLU( 9 A 22) HE2
GLU( 9 A 28) HE2
ASP( 9 A 42) HD2
ASP( 9 A 49) HD2
GLU( 9 A 62) HE2
GLU( 9 A 63) HE2
ASP( 9 A 69) HD2
GLU( 9 A 76) HE2
GLU( 9 B 6) HE2
GLU( 9 B 10) HE2
GLU( 9 B 12) HE2
GLU( 9 B 13) HE2
GLU( 9 B 20) HE2
GLU( 9 B 22) HE2
GLU( 9 B 28) HE2
ASP( 9 B 42) HD2
ASP( 9 B 49) HD2
GLU( 9 B 62) HE2
GLU( 9 B 63) HE2
ASP( 9 B 69) HD2
GLU( 9 B 76) HE2
GLU( 10 A 6) HE2
GLU( 10 A 10) HE2
GLU( 10 A 12) HE2
GLU( 10 A 13) HE2
GLU( 10 A 20) HE2
GLU( 10 A 22) HE2
GLU( 10 A 28) HE2
ASP( 10 A 42) HD2
ASP( 10 A 49) HD2
GLU( 10 A 62) HE2
GLU( 10 A 63) HE2
ASP( 10 A 69) HD2
GLU( 10 A 76) HE2
GLU( 10 B 6) HE2
GLU( 10 B 10) HE2
GLU( 10 B 12) HE2
GLU( 10 B 13) HE2
GLU( 10 B 20) HE2
GLU( 10 B 22) HE2
GLU( 10 B 28) HE2
ASP( 10 B 42) HD2
ASP( 10 B 49) HD2
GLU( 10 B 62) HE2
GLU( 10 B 63) HE2
ASP( 10 B 69) HD2
GLU( 10 B 76) HE2
GLU( 11 A 6) HE2
GLU( 11 A 10) HE2
GLU( 11 A 12) HE2
GLU( 11 A 13) HE2
GLU( 11 A 20) HE2
GLU( 11 A 22) HE2
GLU( 11 A 28) HE2
ASP( 11 A 42) HD2
ASP( 11 A 49) HD2
GLU( 11 A 62) HE2
GLU( 11 A 63) HE2
ASP( 11 A 69) HD2
GLU( 11 A 76) HE2
GLU( 11 B 6) HE2
GLU( 11 B 10) HE2
GLU( 11 B 12) HE2
GLU( 11 B 13) HE2
GLU( 11 B 20) HE2
GLU( 11 B 22) HE2
GLU( 11 B 28) HE2
ASP( 11 B 42) HD2
ASP( 11 B 49) HD2
GLU( 11 B 62) HE2
GLU( 11 B 63) HE2
ASP( 11 B 69) HD2
GLU( 11 B 76) HE2
GLU( 12 A 6) HE2
GLU( 12 A 10) HE2
GLU( 12 A 12) HE2
GLU( 12 A 13) HE2
GLU( 12 A 20) HE2
GLU( 12 A 22) HE2
GLU( 12 A 28) HE2
ASP( 12 A 42) HD2
ASP( 12 A 49) HD2
GLU( 12 A 62) HE2
GLU( 12 A 63) HE2
ASP( 12 A 69) HD2
GLU( 12 A 76) HE2
GLU( 12 B 6) HE2
GLU( 12 B 10) HE2
GLU( 12 B 12) HE2
GLU( 12 B 13) HE2
GLU( 12 B 20) HE2
GLU( 12 B 22) HE2
GLU( 12 B 28) HE2
ASP( 12 B 42) HD2
ASP( 12 B 49) HD2
GLU( 12 B 62) HE2
GLU( 12 B 63) HE2
ASP( 12 B 69) HD2
GLU( 12 B 76) HE2
GLU( 13 A 6) HE2
GLU( 13 A 10) HE2
GLU( 13 A 12) HE2
GLU( 13 A 13) HE2
GLU( 13 A 20) HE2
GLU( 13 A 22) HE2
GLU( 13 A 28) HE2
ASP( 13 A 42) HD2
ASP( 13 A 49) HD2
GLU( 13 A 62) HE2
GLU( 13 A 63) HE2
ASP( 13 A 69) HD2
GLU( 13 A 76) HE2
GLU( 13 B 6) HE2
GLU( 13 B 10) HE2
GLU( 13 B 12) HE2
GLU( 13 B 13) HE2
GLU( 13 B 20) HE2
GLU( 13 B 22) HE2
GLU( 13 B 28) HE2
ASP( 13 B 42) HD2
ASP( 13 B 49) HD2
GLU( 13 B 62) HE2
GLU( 13 B 63) HE2
ASP( 13 B 69) HD2
GLU( 13 B 76) HE2
GLU( 14 A 6) HE2
GLU( 14 A 10) HE2
GLU( 14 A 12) HE2
GLU( 14 A 13) HE2
GLU( 14 A 20) HE2
GLU( 14 A 22) HE2
GLU( 14 A 28) HE2
ASP( 14 A 42) HD2
ASP( 14 A 49) HD2
GLU( 14 A 62) HE2
GLU( 14 A 63) HE2
ASP( 14 A 69) HD2
GLU( 14 A 76) HE2
GLU( 14 B 6) HE2
GLU( 14 B 10) HE2
GLU( 14 B 12) HE2
GLU( 14 B 13) HE2
GLU( 14 B 20) HE2
GLU( 14 B 22) HE2
GLU( 14 B 28) HE2
ASP( 14 B 42) HD2
ASP( 14 B 49) HD2
GLU( 14 B 62) HE2
GLU( 14 B 63) HE2
ASP( 14 B 69) HD2
GLU( 14 B 76) HE2
GLU( 15 A 6) HE2
GLU( 15 A 10) HE2
GLU( 15 A 12) HE2
GLU( 15 A 13) HE2
GLU( 15 A 20) HE2
GLU( 15 A 22) HE2
GLU( 15 A 28) HE2
ASP( 15 A 42) HD2
ASP( 15 A 49) HD2
GLU( 15 A 62) HE2
GLU( 15 A 63) HE2
ASP( 15 A 69) HD2
GLU( 15 A 76) HE2
GLU( 15 B 6) HE2
GLU( 15 B 10) HE2
GLU( 15 B 12) HE2
GLU( 15 B 13) HE2
GLU( 15 B 20) HE2
GLU( 15 B 22) HE2
GLU( 15 B 28) HE2
ASP( 15 B 42) HD2
ASP( 15 B 49) HD2
GLU( 15 B 62) HE2
GLU( 15 B 63) HE2
ASP( 15 B 69) HD2
GLU( 15 B 76) HE2
GLU( 16 A 6) HE2
GLU( 16 A 10) HE2
GLU( 16 A 12) HE2
GLU( 16 A 13) HE2
GLU( 16 A 20) HE2
GLU( 16 A 22) HE2
GLU( 16 A 28) HE2
ASP( 16 A 42) HD2
ASP( 16 A 49) HD2
GLU( 16 A 62) HE2
GLU( 16 A 63) HE2
ASP( 16 A 69) HD2
GLU( 16 A 76) HE2
GLU( 16 B 6) HE2
GLU( 16 B 10) HE2
GLU( 16 B 12) HE2
GLU( 16 B 13) HE2
GLU( 16 B 20) HE2
GLU( 16 B 22) HE2
GLU( 16 B 28) HE2
ASP( 16 B 42) HD2
ASP( 16 B 49) HD2
GLU( 16 B 62) HE2
GLU( 16 B 63) HE2
ASP( 16 B 69) HD2
GLU( 16 B 76) HE2
GLU( 17 A 6) HE2
GLU( 17 A 10) HE2
GLU( 17 A 12) HE2
GLU( 17 A 13) HE2
GLU( 17 A 20) HE2
GLU( 17 A 22) HE2
GLU( 17 A 28) HE2
ASP( 17 A 42) HD2
ASP( 17 A 49) HD2
GLU( 17 A 62) HE2
GLU( 17 A 63) HE2
ASP( 17 A 69) HD2
GLU( 17 A 76) HE2
GLU( 17 B 6) HE2
GLU( 17 B 10) HE2
GLU( 17 B 12) HE2
GLU( 17 B 13) HE2
GLU( 17 B 20) HE2
GLU( 17 B 22) HE2
GLU( 17 B 28) HE2
ASP( 17 B 42) HD2
ASP( 17 B 49) HD2
GLU( 17 B 62) HE2
GLU( 17 B 63) HE2
ASP( 17 B 69) HD2
GLU( 17 B 76) HE2
GLU( 18 A 6) HE2
GLU( 18 A 10) HE2
GLU( 18 A 12) HE2
GLU( 18 A 13) HE2
GLU( 18 A 20) HE2
GLU( 18 A 22) HE2
GLU( 18 A 28) HE2
ASP( 18 A 42) HD2
ASP( 18 A 49) HD2
GLU( 18 A 62) HE2
GLU( 18 A 63) HE2
ASP( 18 A 69) HD2
GLU( 18 A 76) HE2
GLU( 18 B 6) HE2
GLU( 18 B 10) HE2
GLU( 18 B 12) HE2
GLU( 18 B 13) HE2
GLU( 18 B 20) HE2
GLU( 18 B 22) HE2
GLU( 18 B 28) HE2
ASP( 18 B 42) HD2
ASP( 18 B 49) HD2
GLU( 18 B 62) HE2
GLU( 18 B 63) HE2
ASP( 18 B 69) HD2
GLU( 18 B 76) HE2
GLU( 19 A 6) HE2
GLU( 19 A 10) HE2
GLU( 19 A 12) HE2
GLU( 19 A 13) HE2
GLU( 19 A 20) HE2
GLU( 19 A 22) HE2
GLU( 19 A 28) HE2
ASP( 19 A 42) HD2
ASP( 19 A 49) HD2
GLU( 19 A 62) HE2
GLU( 19 A 63) HE2
ASP( 19 A 69) HD2
GLU( 19 A 76) HE2
GLU( 19 B 6) HE2
GLU( 19 B 10) HE2
GLU( 19 B 12) HE2
GLU( 19 B 13) HE2
GLU( 19 B 20) HE2
GLU( 19 B 22) HE2
GLU( 19 B 28) HE2
ASP( 19 B 42) HD2
ASP( 19 B 49) HD2
GLU( 19 B 62) HE2
GLU( 19 B 63) HE2
ASP( 19 B 69) HD2
GLU( 19 B 76) HE2
GLU( 20 A 6) HE2
GLU( 20 A 10) HE2
GLU( 20 A 12) HE2
GLU( 20 A 13) HE2
GLU( 20 A 20) HE2
GLU( 20 A 22) HE2
GLU( 20 A 28) HE2
ASP( 20 A 42) HD2
ASP( 20 A 49) HD2
GLU( 20 A 62) HE2
GLU( 20 A 63) HE2
ASP( 20 A 69) HD2
GLU( 20 A 76) HE2
GLU( 20 B 6) HE2
GLU( 20 B 10) HE2
GLU( 20 B 12) HE2
GLU( 20 B 13) HE2
GLU( 20 B 20) HE2
GLU( 20 B 22) HE2
GLU( 20 B 28) HE2
ASP( 20 B 42) HD2
ASP( 20 B 49) HD2
GLU( 20 B 62) HE2
GLU( 20 B 63) HE2
ASP( 20 B 69) HD2
GLU( 20 B 76) HE2
==> The following residues have extra atoms:
RES MOD#C SEQ ATOMS
HIS( 1 A 82) O2
HIS( 1 B 82) O2
HIS( 2 A 82) O2
HIS( 2 B 82) O2
HIS( 3 A 82) O2
HIS( 3 B 82) O2
HIS( 4 A 82) O2
HIS( 4 B 82) O2
HIS( 5 A 82) O2
HIS( 5 B 82) O2
HIS( 6 A 82) O2
HIS( 6 B 82) O2
HIS( 7 A 82) O2
HIS( 7 B 82) O2
HIS( 8 A 82) O2
HIS( 8 B 82) O2
HIS( 9 A 82) O2
HIS( 9 B 82) O2
HIS( 10 A 82) O2
HIS( 10 B 82) O2
HIS( 11 A 82) O2
HIS( 11 B 82) O2
HIS( 12 A 82) O2
HIS( 12 B 82) O2
HIS( 13 A 82) O2
HIS( 13 B 82) O2
HIS( 14 A 82) O2
HIS( 14 B 82) O2
HIS( 15 A 82) O2
HIS( 15 B 82) O2
HIS( 16 A 82) O2
HIS( 16 B 82) O2
HIS( 17 A 82) O2
HIS( 17 B 82) O2
HIS( 18 A 82) O2
HIS( 18 B 82) O2
HIS( 19 A 82) O2
HIS( 19 B 82) O2
HIS( 20 A 82) O2
HIS( 20 B 82) O2