Detailed results of DHR8C_R3Cons_em_bcr3 by PSVS
Output from PDBStat
Constraints analysis
table of NOE constraints
# -------------- SUMMARY OF RESTRAINTS ---------------
# TOTAL NUMBER OF NOE RESTRAINTS : 1769
# INTRA-RESIDUE RESTRAINTS (I=J) : 500
# SEQUENTIAL RESTRAINTS (I-J)=1 : 412
# BACKBONE-BACKBONE : 148
# BACKBONE-SIDE CHAIN : 2
# SIDE CHAIN-SIDE CHAIN : 262
# MEDIUM RANGE RESTRAINTS 1<(I-J)<5 : 87
# BACKBONE-BACKBONE : 10
# BACKBONE-SIDE CHAIN : 19
# SIDE CHAIN-SIDE CHAIN : 58
# LONG RANGE RESTRAINTS (I-J)>=5 : 770
# TOTAL HYDROGEN BOND RESTRAINTS : 0
# LONG RANGE H-BOND RESTR. (I-J)>=5 : 0
# DISULFIDE RESTRAINTS : 0
# INTRA-CHAIN RESTRAINTS : 1644
# INTER-CHAIN RESTRAINTS : 125
# AMBIGUOUS RESTRAINTS : 0
# -----------------------------------------------------
# -----------------------------------------------------
# -----------------------------------------------------
# RES # INTRA INTER seq med lng InterChain
MET 1 2 1.5 1.5 0.0 0.0 0.0
ASP 2 2 3.0 3.0 0.0 0.0 0.0
ASN 3 3 10.5 3.5 0.0 7.0 3.5
ARG 4 13 14.0 4.0 0.0 10.0 0.5
GLN 5 1 20.0 4.0 2.5 13.5 10.5
PHE 6 2 14.0 3.5 4.5 6.0 4.5
LEU 7 5 11.5 3.5 1.0 7.0 1.5
SER 8 3 8.5 4.0 0.0 4.5 2.0
LEU 9 8 19.5 5.5 6.0 8.0 6.0
THR 10 1 15.0 4.5 3.5 7.0 6.0
GLY 11 0 3.0 1.5 0.0 1.5 0.5
VAL 12 3 10.5 2.5 1.0 7.0 0.0
SER 13 2 9.0 4.0 0.0 5.0 0.0
LYS 14 8 8.5 3.0 0.0 5.5 0.0
VAL 15 3 6.5 2.5 0.0 4.0 0.0
GLN 16 8 17.0 3.5 0.0 13.5 0.0
SER 17 0 12.5 4.0 0.0 8.5 0.0
PHE 18 0 8.0 2.0 0.0 6.0 0.0
ASP 19 0 0.0 0.0 0.0 0.0 0.0
PRO 20 0 5.0 1.0 0.0 4.0 0.0
LYS 21 13 5.0 4.0 0.0 1.0 0.0
GLU 22 3 11.0 6.0 0.0 5.0 0.0
ILE 23 8 21.0 5.5 0.0 15.5 0.0
LEU 24 8 22.0 4.5 0.0 17.5 0.0
LEU 25 9 17.0 5.0 0.0 12.0 0.0
GLU 26 4 18.0 5.0 0.0 13.0 0.0
THR 27 3 18.5 2.5 2.0 14.0 1.5
ILE 28 9 10.5 2.0 0.0 8.5 8.0
GLN 29 4 3.0 3.0 0.0 0.0 0.0
GLY 30 0 3.5 3.0 0.5 0.0 0.0
VAL 31 5 16.5 4.0 1.5 11.0 0.0
LEU 32 7 16.5 5.5 0.0 11.0 0.5
SER 33 0 12.5 4.5 0.0 8.0 0.0
ILE 34 9 19.0 3.5 0.0 15.5 0.0
LYS 35 12 16.5 5.0 1.0 10.5 0.0
GLY 36 0 10.5 4.0 1.5 5.0 0.0
GLU 37 4 10.0 3.0 0.0 7.0 0.0
LYS 38 8 9.0 3.0 0.0 6.0 0.0
LEU 39 8 20.5 3.0 2.5 15.0 0.0
GLY 40 0 3.0 2.0 0.0 1.0 0.0
ILE 41 0 0.0 0.0 0.0 0.0 0.0
LYS 42 0 0.0 0.0 0.0 0.0 0.0
HIS 43 0 0.0 0.0 0.0 0.0 0.0
LEU 44 0 0.0 0.0 0.0 0.0 0.0
ASP 45 0 0.0 0.0 0.0 0.0 0.0
LEU 46 6 3.5 1.0 0.0 2.5 0.0
LYS 47 8 3.0 3.0 0.0 0.0 0.0
ALA 48 1 3.5 3.5 0.0 0.0 0.0
GLY 49 0 2.0 1.5 0.0 0.5 0.0
GLN 50 7 7.0 3.0 0.0 4.0 0.0
VAL 51 5 9.0 4.5 0.0 4.5 0.0
GLU 52 4 7.0 3.5 0.0 3.5 0.0
VAL 53 2 5.5 3.5 0.0 2.0 0.0
GLU 54 1 8.5 3.0 0.0 5.5 0.0
GLY 55 0 10.0 2.0 0.0 8.0 0.0
LEU 56 8 25.5 3.0 0.0 22.5 0.0
ILE 57 8 17.0 4.5 0.0 12.5 1.0
ASP 58 0 9.5 4.5 0.0 5.0 0.0
ALA 59 1 11.0 4.0 2.0 5.0 2.0
LEU 60 7 16.5 3.5 6.5 6.5 7.0
VAL 61 4 7.0 3.5 0.0 3.5 0.0
TYR 62 1 14.0 1.5 7.5 5.0 7.5
PRO 63 0 2.0 2.0 0.0 0.0 0.0
LEU 64 7 4.5 4.5 0.0 0.0 0.0
GLU 65 3 4.0 4.0 0.0 0.0 0.0
HIS 66 0 1.5 1.5 0.0 0.0 0.0
HIS 67 0 0.0 0.0 0.0 0.0 0.0
HIS 68 0 0.0 0.0 0.0 0.0 0.0
HIS 69 0 0.0 0.0 0.0 0.0 0.0
HIS 70 0 1.0 1.0 0.0 0.0 0.0
HIS 71 0 1.0 1.0 0.0 0.0 0.0
MET 1 2 1.5 1.5 0.0 0.0 0.0
ASP 2 2 3.0 3.0 0.0 0.0 0.0
ASN 3 3 10.5 3.5 0.0 7.0 3.5
ARG 4 13 14.0 4.0 0.0 10.0 0.5
GLN 5 1 20.0 4.0 2.5 13.5 10.5
PHE 6 2 14.0 3.5 4.5 6.0 4.5
LEU 7 5 12.0 3.5 1.5 7.0 2.0
SER 8 1 8.5 4.0 0.0 4.5 2.0
LEU 9 8 19.0 5.5 5.5 8.0 5.5
THR 10 1 15.0 4.5 3.5 7.0 6.0
GLY 11 0 3.0 1.5 0.0 1.5 0.5
VAL 12 3 10.5 2.5 1.0 7.0 0.0
SER 13 2 9.0 4.0 0.0 5.0 0.0
LYS 14 8 8.5 3.0 0.0 5.5 0.0
VAL 15 3 6.5 2.5 0.0 4.0 0.0
GLN 16 8 17.0 3.5 0.0 13.5 0.0
SER 17 0 12.5 4.0 0.0 8.5 0.0
PHE 18 0 8.0 2.0 0.0 6.0 0.0
ASP 19 0 0.0 0.0 0.0 0.0 0.0
PRO 20 0 5.0 1.0 0.0 4.0 0.0
LYS 21 13 5.0 4.0 0.0 1.0 0.0
GLU 22 3 11.0 6.0 0.0 5.0 0.0
ILE 23 8 21.0 5.5 0.0 15.5 0.0
LEU 24 8 22.0 4.5 0.0 17.5 0.0
LEU 25 9 17.0 5.0 0.0 12.0 0.0
GLU 26 4 18.0 5.0 0.0 13.0 0.0
THR 27 3 18.5 2.5 2.0 14.0 1.5
ILE 28 9 10.5 2.0 0.0 8.5 8.0
GLN 29 4 3.0 3.0 0.0 0.0 0.0
GLY 30 0 3.5 3.0 0.5 0.0 0.0
VAL 31 5 16.5 4.0 1.5 11.0 0.0
LEU 32 7 16.5 5.5 0.0 11.0 0.5
SER 33 0 12.5 4.5 0.0 8.0 0.0
ILE 34 9 19.0 3.5 0.0 15.5 0.0
LYS 35 12 16.5 5.0 1.0 10.5 0.0
GLY 36 0 10.5 4.0 1.5 5.0 0.0
GLU 37 4 10.0 3.0 0.0 7.0 0.0
LYS 38 8 9.0 3.0 0.0 6.0 0.0
LEU 39 8 20.5 3.0 2.5 15.0 0.0
GLY 40 0 3.0 2.0 0.0 1.0 0.0
ILE 41 0 0.0 0.0 0.0 0.0 0.0
LYS 42 0 0.0 0.0 0.0 0.0 0.0
HIS 43 0 0.0 0.0 0.0 0.0 0.0
LEU 44 0 0.0 0.0 0.0 0.0 0.0
ASP 45 0 0.0 0.0 0.0 0.0 0.0
LEU 46 6 3.5 1.0 0.0 2.5 0.0
LYS 47 8 3.0 3.0 0.0 0.0 0.0
ALA 48 1 3.5 3.5 0.0 0.0 0.0
GLY 49 0 2.0 1.5 0.0 0.5 0.0
GLN 50 7 7.0 3.0 0.0 4.0 0.0
VAL 51 5 9.0 4.5 0.0 4.5 0.0
GLU 52 4 7.0 3.5 0.0 3.5 0.0
VAL 53 2 5.5 3.5 0.0 2.0 0.0
GLU 54 1 8.5 3.0 0.0 5.5 0.0
GLY 55 0 10.0 2.0 0.0 8.0 0.0
LEU 56 8 25.5 3.0 0.0 22.5 0.0
ILE 57 8 17.0 4.5 0.0 12.5 1.0
ASP 58 0 9.5 4.5 0.0 5.0 0.0
ALA 59 1 11.0 4.0 2.0 5.0 2.0
LEU 60 7 15.5 3.5 5.5 6.5 6.0
VAL 61 4 7.0 3.5 0.0 3.5 0.0
TYR 62 1 15.0 1.5 8.5 5.0 8.5
PRO 63 0 2.0 2.0 0.0 0.0 0.0
LEU 64 7 4.5 4.5 0.0 0.0 0.0
GLU 65 3 4.0 4.0 0.0 0.0 0.0
HIS 66 0 1.5 1.5 0.0 0.0 0.0
HIS 67 0 0.0 0.0 0.0 0.0 0.0
HIS 68 0 0.0 0.0 0.0 0.0 0.0
HIS 69 0 0.0 0.0 0.0 0.0 0.0
HIS 70 0 1.0 1.0 0.0 0.0 0.0
HIS 71 0 1.0 1.0 0.0 0.0 0.0
# TOTAL 500 1269.0 412.0 87.0 770.0 125.0
# TOTAL NUMBER OF RESTRAINTS (CHECKING): 1769.0
List of conformationally-resticting NOE constraints
assign ((segid A and resid 1 and name HA )) ((segid A and resid 1 and name HG* )) 1.80 0.00 2.09
assign ((segid A and resid 1 and name HA )) ((segid A and resid 2 and name HN )) 1.80 0.00 1.70
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 1 and name HE* )) 1.80 0.00 2.30
assign ((segid A and resid 1 and name HG* )) ((segid A and resid 2 and name HN )) 1.80 0.00 3.09
assign ((segid A and resid 2 and name HA )) ((segid A and resid 3 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 2 and name HB1 )) ((segid A and resid 3 and name HN )) 1.80 0.00 2.90
assign ((segid A and resid 2 and name HB2 )) ((segid A and resid 3 and name HN )) 1.80 0.00 2.90
assign ((segid A and resid 2 and name HN )) ((segid A and resid 2 and name HB1 )) 1.80 0.00 2.30
assign ((segid A and resid 2 and name HN )) ((segid A and resid 2 and name HB2 )) 1.80 0.00 2.30
assign ((segid A and resid 3 and name HA )) ((segid A and resid 4 and name HN )) 1.80 0.00 1.96
assign ((segid A and resid 3 and name HB* )) ((segid A and resid 3 and name HD21 )) 1.80 0.00 2.04
assign ((segid A and resid 3 and name HB* )) ((segid A and resid 56 and name HB* )) 1.80 0.00 3.94
assign ((segid A and resid 3 and name HB* )) ((segid A and resid 56 and name HG )) 1.80 0.00 3.34
assign ((segid A and resid 3 and name HB1 )) ((segid A and resid 4 and name HN )) 1.80 0.00 3.14
assign ((segid A and resid 3 and name HB1 )) ((segid A and resid 56 and name HD* )) 1.80 0.00 1.97
assign ((segid A and resid 3 and name HB2 )) ((segid A and resid 4 and name HN )) 1.80 0.00 3.14
assign ((segid A and resid 3 and name HB2 )) ((segid A and resid 56 and name HD* )) 1.80 0.00 2.40
assign ((segid A and resid 3 and name HD21 )) ((segid A and resid 56 and name HD* )) 1.80 0.00 3.20
assign ((segid A and resid 3 and name HD22 )) ((segid A and resid 56 and name HD* )) 1.80 0.00 3.18
assign ((segid A and resid 3 and name HN )) ((segid A and resid 3 and name HB1 )) 1.80 0.00 2.19
assign ((segid A and resid 3 and name HN )) ((segid A and resid 3 and name HB2 )) 1.80 0.00 2.19
assign ((segid A and resid 3 and name HN )) ((segid A and resid 4 and name HN )) 1.80 0.00 3.00
assign ((segid A and resid 3 and name HN )) ((segid A and resid 56 and name HD* )) 1.80 0.00 3.20
assign ((segid A and resid 4 and name HA )) ((segid A and resid 4 and name HG1 )) 1.80 0.00 2.49
assign ((segid A and resid 4 and name HA )) ((segid A and resid 4 and name HG2 )) 1.80 0.00 2.49
assign ((segid A and resid 4 and name HA )) ((segid A and resid 5 and name HN )) 1.80 0.00 1.76
assign ((segid A and resid 4 and name HA )) ((segid A and resid 56 and name HA )) 1.80 0.00 2.55
assign ((segid A and resid 4 and name HA )) ((segid A and resid 56 and name HB1 )) 1.80 0.00 4.20
assign ((segid A and resid 4 and name HA )) ((segid A and resid 56 and name HB2 )) 1.80 0.00 4.20
assign ((segid A and resid 4 and name HA )) ((segid A and resid 56 and name HD* )) 1.80 0.00 2.63
assign ((segid A and resid 4 and name HB* )) ((segid A and resid 55 and name HA1 )) 1.80 0.00 3.50
assign ((segid A and resid 4 and name HB* )) ((segid A and resid 55 and name HA2 )) 1.80 0.00 3.50
assign ((segid A and resid 4 and name HB* )) ((segid A and resid 56 and name HG )) 1.80 0.00 3.80
assign ((segid A and resid 4 and name HB1 )) ((segid A and resid 4 and name HD1 )) 1.80 0.00 2.51
assign ((segid A and resid 4 and name HB1 )) ((segid A and resid 4 and name HD2 )) 1.80 0.00 2.51
assign ((segid A and resid 4 and name HB1 )) ((segid A and resid 4 and name HE )) 1.80 0.00 2.74
assign ((segid A and resid 4 and name HB1 )) ((segid A and resid 5 and name HN )) 1.80 0.00 3.06
assign ((segid A and resid 4 and name HB1 )) ((segid A and resid 56 and name HA )) 1.80 0.00 3.42
assign ((segid A and resid 4 and name HB1 )) ((segid A and resid 56 and name HD* )) 1.80 0.00 3.00
assign ((segid A and resid 4 and name HB2 )) ((segid A and resid 4 and name HD1 )) 1.80 0.00 2.51
assign ((segid A and resid 4 and name HB2 )) ((segid A and resid 4 and name HD2 )) 1.80 0.00 2.51
assign ((segid A and resid 4 and name HB2 )) ((segid A and resid 4 and name HE )) 1.80 0.00 3.20
assign ((segid A and resid 4 and name HB2 )) ((segid A and resid 5 and name HN )) 1.80 0.00 3.06
assign ((segid A and resid 4 and name HB2 )) ((segid A and resid 56 and name HD* )) 1.80 0.00 3.00
assign ((segid A and resid 4 and name HD* )) ((segid A and resid 55 and name HA* )) 1.80 0.00 3.99
assign ((segid A and resid 4 and name HD1 )) ((segid A and resid 56 and name HD* )) 1.80 0.00 3.66
assign ((segid A and resid 4 and name HD2 )) ((segid A and resid 56 and name HD* )) 1.80 0.00 3.66
assign ((segid A and resid 4 and name HE )) ((segid A and resid 55 and name HA* )) 1.80 0.00 3.70
assign ((segid A and resid 4 and name HE )) ((segid A and resid 56 and name HD* )) 1.80 0.00 2.18
assign ((segid A and resid 4 and name HE )) ((segid A and resid 56 and name HD1* )) 1.80 0.00 3.20
assign ((segid A and resid 4 and name HE )) ((segid A and resid 56 and name HD2* )) 1.80 0.00 3.20
assign ((segid A and resid 4 and name HG* )) ((segid A and resid 55 and name HA* )) 1.80 0.00 3.73
assign ((segid A and resid 4 and name HG1 )) ((segid A and resid 4 and name HE )) 1.80 0.00 2.31
assign ((segid A and resid 4 and name HG2 )) ((segid A and resid 4 and name HE )) 1.80 0.00 2.31
assign ((segid A and resid 4 and name HN )) ((segid A and resid 4 and name HD* )) 1.80 0.00 3.16
assign ((segid A and resid 4 and name HN )) ((segid A and resid 4 and name HG1 )) 1.80 0.00 2.60
assign ((segid A and resid 4 and name HN )) ((segid A and resid 4 and name HG2 )) 1.80 0.00 2.10
assign ((segid A and resid 4 and name HN )) ((segid A and resid 5 and name HN )) 1.80 0.00 3.69
assign ((segid A and resid 4 and name HN )) ((segid A and resid 56 and name HD* )) 1.80 0.00 1.81
assign ((segid A and resid 5 and name HA )) ((segid A and resid 6 and name HN )) 1.80 0.00 2.02
assign ((segid A and resid 5 and name HB* )) ((segid A and resid 6 and name HN )) 1.80 0.00 2.18
assign ((segid A and resid 5 and name HB* )) ((segid A and resid 57 and name HD1* )) 1.80 0.00 2.08
assign ((segid A and resid 5 and name HE2* )) ((segid A and resid 57 and name HD1* )) 1.80 0.00 3.39
assign ((segid A and resid 5 and name HE21 )) ((segid A and resid 57 and name HD1* )) 1.80 0.00 4.25
assign ((segid A and resid 5 and name HE22 )) ((segid A and resid 57 and name HD1* )) 1.80 0.00 4.25
assign ((segid A and resid 5 and name HG* )) ((segid A and resid 6 and name HN )) 1.80 0.00 2.93
assign ((segid A and resid 5 and name HG* )) ((segid A and resid 57 and name HD1* )) 1.80 0.00 2.50
assign ((segid A and resid 5 and name HN )) ((segid A and resid 5 and name HG* )) 1.80 0.00 2.68
assign ((segid A and resid 5 and name HN )) ((segid A and resid 6 and name HN )) 1.80 0.00 3.55
assign ((segid A and resid 5 and name HN )) ((segid A and resid 55 and name HN )) 1.80 0.00 2.18
assign ((segid A and resid 5 and name HN )) ((segid A and resid 56 and name HA )) 1.80 0.00 3.15
assign ((segid A and resid 5 and name HN )) ((segid A and resid 56 and name HD* )) 1.80 0.00 3.41
assign ((segid A and resid 5 and name HN )) ((segid A and resid 56 and name HN )) 1.80 0.00 4.21
assign ((segid A and resid 5 and name HN )) ((segid A and resid 57 and name HD1* )) 1.80 0.00 3.61
assign ((segid A and resid 5 and name HN )) ((segid A and resid 57 and name HG2* )) 1.80 0.00 3.17
assign ((segid A and resid 6 and name HA )) ((segid A and resid 6 and name HD* )) 1.80 0.00 2.48
assign ((segid A and resid 6 and name HA )) ((segid A and resid 7 and name HN )) 1.80 0.00 2.00
assign ((segid A and resid 6 and name HA )) ((segid A and resid 54 and name HA )) 1.80 0.00 2.47
assign ((segid A and resid 6 and name HA )) ((segid A and resid 55 and name HN )) 1.80 0.00 2.90
assign ((segid A and resid 6 and name HB* )) ((segid A and resid 54 and name HG* )) 1.80 0.00 3.80
assign ((segid A and resid 6 and name HB1 )) ((segid A and resid 7 and name HN )) 1.80 0.00 4.10
assign ((segid A and resid 6 and name HB1 )) ((segid A and resid 54 and name HA )) 1.80 0.00 4.10
assign ((segid A and resid 6 and name HB2 )) ((segid A and resid 7 and name HN )) 1.80 0.00 4.10
assign ((segid A and resid 6 and name HB2 )) ((segid A and resid 54 and name HA )) 1.80 0.00 4.10
assign ((segid A and resid 6 and name HD* )) ((segid A and resid 54 and name HA )) 1.80 0.00 2.60
assign ((segid A and resid 6 and name HD* )) ((segid A and resid 54 and name HB* )) 1.80 0.00 2.50
assign ((segid A and resid 6 and name HD* )) ((segid A and resid 54 and name HG* )) 1.80 0.00 2.78
assign ((segid A and resid 6 and name HE* )) ((segid A and resid 54 and name HB* )) 1.80 0.00 3.20
assign ((segid A and resid 6 and name HE* )) ((segid A and resid 54 and name HG* )) 1.80 0.00 3.77
assign ((segid A and resid 6 and name HN )) ((segid A and resid 6 and name HD* )) 1.80 0.00 2.56
assign ((segid A and resid 6 and name HN )) ((segid A and resid 54 and name HA )) 1.80 0.00 4.25
assign ((segid A and resid 6 and name HN )) ((segid A and resid 57 and name HD1* )) 1.80 0.00 3.94
assign ((segid A and resid 7 and name HA )) ((segid A and resid 7 and name HD1* )) 1.80 0.00 2.03
assign ((segid A and resid 7 and name HA )) ((segid A and resid 7 and name HG )) 1.80 0.00 2.02
assign ((segid A and resid 7 and name HA )) ((segid A and resid 8 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 7 and name HB* )) ((segid A and resid 7 and name HD1* )) 1.80 0.00 1.53
assign ((segid A and resid 7 and name HB* )) ((segid A and resid 7 and name HD2* )) 1.80 0.00 1.49
assign ((segid A and resid 7 and name HB* )) ((segid A and resid 34 and name HG2* )) 1.80 0.00 2.72
assign ((segid A and resid 7 and name HB* )) ((segid A and resid 57 and name HD1* )) 1.80 0.00 2.42
assign ((segid A and resid 7 and name HB* )) ((segid A and resid 57 and name HG2* )) 1.80 0.00 3.18
assign ((segid A and resid 7 and name HB* )) ((segid A and resid 60 and name HD2* )) 1.80 0.00 3.00
assign ((segid A and resid 7 and name HD1* )) ((segid A and resid 8 and name HN )) 1.80 0.00 2.55
assign ((segid A and resid 7 and name HD2* )) ((segid A and resid 34 and name HA )) 1.80 0.00 3.30
assign ((segid A and resid 7 and name HD2* )) ((segid A and resid 34 and name HD1* )) 1.80 0.00 1.99
assign ((segid A and resid 7 and name HD2* )) ((segid A and resid 34 and name HG1* )) 1.80 0.00 1.83
assign ((segid A and resid 7 and name HD2* )) ((segid A and resid 60 and name HD2* )) 1.80 0.00 2.12
assign ((segid A and resid 7 and name HG )) ((segid A and resid 8 and name HN )) 1.80 0.00 2.25
assign ((segid A and resid 7 and name HG )) ((segid A and resid 60 and name HD1* )) 1.80 0.00 3.00
assign ((segid A and resid 7 and name HN )) ((segid A and resid 7 and name HG )) 1.80 0.00 3.04
assign ((segid A and resid 7 and name HN )) ((segid A and resid 53 and name HG1* )) 1.80 0.00 3.95
assign ((segid A and resid 7 and name HN )) ((segid A and resid 53 and name HN )) 1.80 0.00 4.09
assign ((segid A and resid 7 and name HN )) ((segid A and resid 54 and name HA )) 1.80 0.00 3.55
assign ((segid A and resid 7 and name HN )) ((segid A and resid 57 and name HD1* )) 1.80 0.00 3.77
assign ((segid A and resid 7 and name HN )) ((segid A and resid 57 and name HG2* )) 1.80 0.00 3.44
assign ((segid A and resid 8 and name HA )) ((segid A and resid 9 and name HN )) 1.80 0.00 1.81
assign ((segid A and resid 8 and name HA )) ((segid A and resid 51 and name HG1* )) 1.80 0.00 3.40
assign ((segid A and resid 8 and name HA )) ((segid A and resid 52 and name HA )) 1.80 0.00 2.29
assign ((segid A and resid 8 and name HA )) ((segid A and resid 52 and name HB* )) 1.80 0.00 3.40
assign ((segid A and resid 8 and name HA )) ((segid A and resid 53 and name HN )) 1.80 0.00 2.86
assign ((segid A and resid 8 and name HB* )) ((segid A and resid 9 and name HN )) 1.80 0.00 2.17
assign ((segid A and resid 8 and name HB* )) ((segid A and resid 52 and name HA )) 1.80 0.00 2.77
assign ((segid A and resid 8 and name HB* )) ((segid A and resid 52 and name HB* )) 1.80 0.00 3.02
assign ((segid A and resid 8 and name HB* )) ((segid A and resid 52 and name HG1 )) 1.80 0.00 3.20
assign ((segid A and resid 8 and name HB* )) ((segid A and resid 52 and name HG2 )) 1.80 0.00 3.20
assign ((segid A and resid 8 and name HB* )) ((segid A and resid 53 and name HN )) 1.80 0.00 4.25
assign ((segid A and resid 8 and name HN )) ((segid A and resid 8 and name HB* )) 1.80 0.00 2.06
assign ((segid A and resid 8 and name HN )) ((segid A and resid 9 and name HN )) 1.80 0.00 3.36
assign ((segid A and resid 9 and name HA )) ((segid A and resid 9 and name HD1* )) 1.80 0.00 1.60
assign ((segid A and resid 9 and name HA )) ((segid A and resid 9 and name HD2* )) 1.80 0.00 2.79
assign ((segid A and resid 9 and name HA )) ((segid A and resid 10 and name HN )) 1.80 0.00 1.42
assign ((segid A and resid 9 and name HB* )) ((segid A and resid 51 and name HN )) 1.80 0.00 3.89
assign ((segid A and resid 9 and name HB1 )) ((segid A and resid 9 and name HD1* )) 1.80 0.00 1.85
assign ((segid A and resid 9 and name HB1 )) ((segid A and resid 9 and name HD2* )) 1.80 0.00 1.94
assign ((segid A and resid 9 and name HB1 )) ((segid A and resid 10 and name HN )) 1.80 0.00 3.19
assign ((segid A and resid 9 and name HB2 )) ((segid A and resid 9 and name HD1* )) 1.80 0.00 1.85
assign ((segid A and resid 9 and name HB2 )) ((segid A and resid 9 and name HD2* )) 1.80 0.00 1.94
assign ((segid A and resid 9 and name HB2 )) ((segid A and resid 10 and name HN )) 1.80 0.00 3.19
assign ((segid A and resid 9 and name HD1* )) ((segid A and resid 10 and name HN )) 1.80 0.00 2.70
assign ((segid A and resid 9 and name HD1* )) ((segid A and resid 27 and name HB )) 1.80 0.00 4.07
assign ((segid A and resid 9 and name HD1* )) ((segid A and resid 27 and name HG2* )) 1.80 0.00 2.93
assign ((segid A and resid 9 and name HD1* )) ((segid A and resid 32 and name HB* )) 1.80 0.00 3.20
assign ((segid A and resid 9 and name HD1* )) ((segid A and resid 32 and name HD1* )) 1.80 0.00 2.91
assign ((segid A and resid 9 and name HD1* )) ((segid A and resid 62 and name HE2 )) 1.80 0.00 3.60
assign ((segid A and resid 9 and name HD2* )) ((segid A and resid 10 and name HN )) 1.80 0.00 3.26
assign ((segid A and resid 9 and name HD2* )) ((segid A and resid 12 and name HG2* )) 1.80 0.00 2.29
assign ((segid A and resid 9 and name HD2* )) ((segid A and resid 27 and name HG* )) 1.80 0.00 3.70
assign ((segid A and resid 9 and name HD2* )) ((segid A and resid 27 and name HG2* )) 1.80 0.00 1.86
assign ((segid A and resid 9 and name HD2* )) ((segid A and resid 51 and name HG1* )) 1.80 0.00 3.20
assign ((segid A and resid 9 and name HG )) ((segid A and resid 10 and name HN )) 1.80 0.00 2.28
assign ((segid A and resid 9 and name HG )) ((segid A and resid 12 and name HG2* )) 1.80 0.00 2.64
assign ((segid A and resid 9 and name HG )) ((segid A and resid 27 and name HG2* )) 1.80 0.00 3.40
assign ((segid A and resid 9 and name HN )) ((segid A and resid 9 and name HD1* )) 1.80 0.00 3.05
assign ((segid A and resid 9 and name HN )) ((segid A and resid 9 and name HD2* )) 1.80 0.00 3.22
assign ((segid A and resid 9 and name HN )) ((segid A and resid 10 and name HN )) 1.80 0.00 3.37
assign ((segid A and resid 9 and name HN )) ((segid A and resid 50 and name HB* )) 1.80 0.00 4.22
assign ((segid A and resid 9 and name HN )) ((segid A and resid 51 and name HB )) 1.80 0.00 4.25
assign ((segid A and resid 9 and name HN )) ((segid A and resid 51 and name HG1* )) 1.80 0.00 2.67
assign ((segid A and resid 9 and name HN )) ((segid A and resid 51 and name HN )) 1.80 0.00 2.75
assign ((segid A and resid 9 and name HN )) ((segid A and resid 52 and name HA )) 1.80 0.00 2.63
assign ((segid A and resid 10 and name HA )) ((segid A and resid 51 and name HN )) 1.80 0.00 3.38
assign ((segid A and resid 10 and name HB )) ((segid A and resid 11 and name HN )) 1.80 0.00 3.21
assign ((segid A and resid 10 and name HG2* )) ((segid A and resid 11 and name HN )) 1.80 0.00 3.06
assign ((segid A and resid 10 and name HG2* )) ((segid A and resid 50 and name HA )) 1.80 0.00 2.64
assign ((segid A and resid 10 and name HG2* )) ((segid A and resid 50 and name HB1 )) 1.80 0.00 3.20
assign ((segid A and resid 10 and name HG2* )) ((segid A and resid 50 and name HB2 )) 1.80 0.00 3.20
assign ((segid A and resid 10 and name HG2* )) ((segid A and resid 50 and name HE21 )) 1.80 0.00 2.99
assign ((segid A and resid 10 and name HG2* )) ((segid A and resid 50 and name HE22 )) 1.80 0.00 3.18
assign ((segid A and resid 10 and name HG2* )) ((segid A and resid 50 and name HG* )) 1.80 0.00 2.50
assign ((segid A and resid 10 and name HG2* )) ((segid A and resid 51 and name HN )) 1.80 0.00 3.13
assign ((segid A and resid 10 and name HN )) ((segid A and resid 10 and name HG2* )) 1.80 0.00 2.00
assign ((segid A and resid 10 and name HN )) ((segid A and resid 51 and name HN )) 1.80 0.00 4.25
assign ((segid A and resid 11 and name HA* )) ((segid A and resid 28 and name HD1* )) 1.80 0.00 3.00
assign ((segid A and resid 11 and name HN )) ((segid A and resid 12 and name HN )) 1.80 0.00 3.34
assign ((segid A and resid 11 and name HN )) ((segid A and resid 50 and name HA )) 1.80 0.00 3.00
assign ((segid A and resid 12 and name HA )) ((segid A and resid 12 and name HG1* )) 1.80 0.00 1.91
assign ((segid A and resid 12 and name HA )) ((segid A and resid 13 and name HN )) 1.80 0.00 2.00
assign ((segid A and resid 12 and name HA )) ((segid A and resid 27 and name HA )) 1.80 0.00 2.86
assign ((segid A and resid 12 and name HA )) ((segid A and resid 27 and name HG* )) 1.80 0.00 3.21
assign ((segid A and resid 12 and name HA )) ((segid A and resid 27 and name HG2* )) 1.80 0.00 3.15
assign ((segid A and resid 12 and name HG1* )) ((segid A and resid 13 and name HA )) 1.80 0.00 2.62
assign ((segid A and resid 12 and name HG1* )) ((segid A and resid 13 and name HN )) 1.80 0.00 2.12
assign ((segid A and resid 12 and name HG1* )) ((segid A and resid 25 and name HA )) 1.80 0.00 2.46
assign ((segid A and resid 12 and name HG1* )) ((segid A and resid 25 and name HB* )) 1.80 0.00 2.02
assign ((segid A and resid 12 and name HG1* )) ((segid A and resid 26 and name HN )) 1.80 0.00 1.87
assign ((segid A and resid 12 and name HG1* )) ((segid A and resid 27 and name HA )) 1.80 0.00 3.05
assign ((segid A and resid 12 and name HG1* )) ((segid A and resid 27 and name HG2* )) 1.80 0.00 3.36
assign ((segid A and resid 12 and name HG2* )) ((segid A and resid 13 and name HN )) 1.80 0.00 2.73
assign ((segid A and resid 12 and name HG2* )) ((segid A and resid 25 and name HB* )) 1.80 0.00 2.04
assign ((segid A and resid 12 and name HG2* )) ((segid A and resid 25 and name HD1* )) 1.80 0.00 2.26
assign ((segid A and resid 12 and name HG2* )) ((segid A and resid 27 and name HA )) 1.80 0.00 2.90
assign ((segid A and resid 12 and name HG2* )) ((segid A and resid 27 and name HB )) 1.80 0.00 2.80
assign ((segid A and resid 12 and name HG2* )) ((segid A and resid 27 and name HG* )) 1.80 0.00 3.12
assign ((segid A and resid 12 and name HG2* )) ((segid A and resid 27 and name HG2* )) 1.80 0.00 2.95
assign ((segid A and resid 12 and name HN )) ((segid A and resid 12 and name HG1* )) 1.80 0.00 3.36
assign ((segid A and resid 12 and name HN )) ((segid A and resid 12 and name HG2* )) 1.80 0.00 2.80
assign ((segid A and resid 13 and name HA )) ((segid A and resid 14 and name HN )) 1.80 0.00 2.00
assign ((segid A and resid 13 and name HA )) ((segid A and resid 46 and name HD1* )) 1.80 0.00 3.15
assign ((segid A and resid 13 and name HA )) ((segid A and resid 46 and name HD2* )) 1.80 0.00 3.00
assign ((segid A and resid 13 and name HA )) ((segid A and resid 49 and name HA* )) 1.80 0.00 3.00
assign ((segid A and resid 13 and name HB* )) ((segid A and resid 26 and name HB* )) 1.80 0.00 3.53
assign ((segid A and resid 13 and name HB* )) ((segid A and resid 27 and name HB )) 1.80 0.00 4.25
assign ((segid A and resid 13 and name HB* )) ((segid A and resid 46 and name HD1* )) 1.80 0.00 3.81
assign ((segid A and resid 13 and name HB1 )) ((segid A and resid 14 and name HN )) 1.80 0.00 2.75
assign ((segid A and resid 13 and name HB1 )) ((segid A and resid 27 and name HA )) 1.80 0.00 3.08
assign ((segid A and resid 13 and name HB2 )) ((segid A and resid 14 and name HN )) 1.80 0.00 2.75
assign ((segid A and resid 13 and name HB2 )) ((segid A and resid 27 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 13 and name HN )) ((segid A and resid 13 and name HB1 )) 1.80 0.00 2.39
assign ((segid A and resid 13 and name HN )) ((segid A and resid 13 and name HB2 )) 1.80 0.00 2.39
assign ((segid A and resid 13 and name HN )) ((segid A and resid 14 and name HN )) 1.80 0.00 1.72
assign ((segid A and resid 13 and name HN )) ((segid A and resid 27 and name HA )) 1.80 0.00 2.51
assign ((segid A and resid 13 and name HN )) ((segid A and resid 27 and name HB )) 1.80 0.00 3.40
assign ((segid A and resid 14 and name HA )) ((segid A and resid 14 and name HD* )) 1.80 0.00 2.83
assign ((segid A and resid 14 and name HA )) ((segid A and resid 15 and name HN )) 1.80 0.00 1.80
assign ((segid A and resid 14 and name HA )) ((segid A and resid 26 and name HN )) 1.80 0.00 3.88
assign ((segid A and resid 14 and name HA )) ((segid A and resid 46 and name HD1* )) 1.80 0.00 1.91
assign ((segid A and resid 14 and name HB* )) ((segid A and resid 26 and name HB* )) 1.80 0.00 3.07
assign ((segid A and resid 14 and name HB1 )) ((segid A and resid 14 and name HE* )) 1.80 0.00 3.00
assign ((segid A and resid 14 and name HB2 )) ((segid A and resid 14 and name HE* )) 1.80 0.00 3.00
assign ((segid A and resid 14 and name HB2 )) ((segid A and resid 46 and name HD1* )) 1.80 0.00 3.56
assign ((segid A and resid 14 and name HD* )) ((segid A and resid 15 and name HN )) 1.80 0.00 3.44
assign ((segid A and resid 14 and name HG* )) ((segid A and resid 26 and name HB* )) 1.80 0.00 3.00
assign ((segid A and resid 14 and name HG* )) ((segid A and resid 26 and name HN )) 1.80 0.00 3.40
assign ((segid A and resid 14 and name HG1 )) ((segid A and resid 14 and name HE* )) 1.80 0.00 1.97
assign ((segid A and resid 14 and name HG2 )) ((segid A and resid 14 and name HE* )) 1.80 0.00 1.97
assign ((segid A and resid 14 and name HN )) ((segid A and resid 14 and name HD* )) 1.80 0.00 3.79
assign ((segid A and resid 14 and name HN )) ((segid A and resid 14 and name HG1 )) 1.80 0.00 3.79
assign ((segid A and resid 14 and name HN )) ((segid A and resid 14 and name HG2 )) 1.80 0.00 3.79
assign ((segid A and resid 14 and name HN )) ((segid A and resid 26 and name HB1 )) 1.80 0.00 3.46
assign ((segid A and resid 14 and name HN )) ((segid A and resid 26 and name HB2 )) 1.80 0.00 3.46
assign ((segid A and resid 14 and name HN )) ((segid A and resid 26 and name HG* )) 1.80 0.00 3.77
assign ((segid A and resid 14 and name HN )) ((segid A and resid 26 and name HN )) 1.80 0.00 2.38
assign ((segid A and resid 14 and name HN )) ((segid A and resid 27 and name HA )) 1.80 0.00 3.26
assign ((segid A and resid 15 and name HA )) ((segid A and resid 15 and name HG1* )) 1.80 0.00 2.01
assign ((segid A and resid 15 and name HA )) ((segid A and resid 15 and name HG2* )) 1.80 0.00 2.28
assign ((segid A and resid 15 and name HA )) ((segid A and resid 16 and name HN )) 1.80 0.00 1.80
assign ((segid A and resid 15 and name HA )) ((segid A and resid 25 and name HA )) 1.80 0.00 2.64
assign ((segid A and resid 15 and name HA )) ((segid A and resid 25 and name HD2* )) 1.80 0.00 3.21
assign ((segid A and resid 15 and name HA )) ((segid A and resid 25 and name HN )) 1.80 0.00 4.02
assign ((segid A and resid 15 and name HA )) ((segid A and resid 26 and name HN )) 1.80 0.00 2.77
assign ((segid A and resid 15 and name HA )) ((segid A and resid 31 and name HG1* )) 1.80 0.00 4.17
assign ((segid A and resid 15 and name HG1* )) ((segid A and resid 16 and name HN )) 1.80 0.00 2.43
assign ((segid A and resid 15 and name HG1* )) ((segid A and resid 25 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HG2* )) ((segid A and resid 16 and name HN )) 1.80 0.00 2.73
assign ((segid A and resid 15 and name HG2* )) ((segid A and resid 25 and name HA )) 1.80 0.00 3.47
assign ((segid A and resid 15 and name HG2* )) ((segid A and resid 25 and name HD2* )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HN )) ((segid A and resid 15 and name HG2* )) 1.80 0.00 2.26
assign ((segid A and resid 16 and name HA )) ((segid A and resid 16 and name HG1 )) 1.80 0.00 2.62
assign ((segid A and resid 16 and name HA )) ((segid A and resid 16 and name HG2 )) 1.80 0.00 2.62
assign ((segid A and resid 16 and name HA )) ((segid A and resid 17 and name HN )) 1.80 0.00 1.80
assign ((segid A and resid 16 and name HA )) ((segid A and resid 24 and name HB* )) 1.80 0.00 3.78
assign ((segid A and resid 16 and name HB* )) ((segid A and resid 16 and name HE21 )) 1.80 0.00 3.22
assign ((segid A and resid 16 and name HB* )) ((segid A and resid 17 and name HN )) 1.80 0.00 1.81
assign ((segid A and resid 16 and name HB* )) ((segid A and resid 24 and name HB* )) 1.80 0.00 2.53
assign ((segid A and resid 16 and name HB* )) ((segid A and resid 25 and name HN )) 1.80 0.00 3.95
assign ((segid A and resid 16 and name HB1 )) ((segid A and resid 31 and name HG1* )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HB2 )) ((segid A and resid 31 and name HG1* )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HE21 )) ((segid A and resid 26 and name HG* )) 1.80 0.00 3.17
assign ((segid A and resid 16 and name HE21 )) ((segid A and resid 31 and name HB )) 1.80 0.00 3.99
assign ((segid A and resid 16 and name HE21 )) ((segid A and resid 31 and name HG1* )) 1.80 0.00 3.14
assign ((segid A and resid 16 and name HE21 )) ((segid A and resid 31 and name HG2* )) 1.80 0.00 2.58
assign ((segid A and resid 16 and name HE22 )) ((segid A and resid 26 and name HB* )) 1.80 0.00 3.81
assign ((segid A and resid 16 and name HE22 )) ((segid A and resid 26 and name HG* )) 1.80 0.00 3.37
assign ((segid A and resid 16 and name HE22 )) ((segid A and resid 31 and name HG1* )) 1.80 0.00 3.00
assign ((segid A and resid 16 and name HE22 )) ((segid A and resid 31 and name HG2* )) 1.80 0.00 3.00
assign ((segid A and resid 16 and name HG* )) ((segid A and resid 25 and name HA )) 1.80 0.00 3.35
assign ((segid A and resid 16 and name HG* )) ((segid A and resid 26 and name HB* )) 1.80 0.00 2.60
assign ((segid A and resid 16 and name HG* )) ((segid A and resid 26 and name HN )) 1.80 0.00 2.80
assign ((segid A and resid 16 and name HG1 )) ((segid A and resid 16 and name HE21 )) 1.80 0.00 2.02
assign ((segid A and resid 16 and name HG1 )) ((segid A and resid 17 and name HN )) 1.80 0.00 3.15
assign ((segid A and resid 16 and name HG1 )) ((segid A and resid 24 and name HB* )) 1.80 0.00 3.26
assign ((segid A and resid 16 and name HG1 )) ((segid A and resid 31 and name HG1* )) 1.80 0.00 2.60
assign ((segid A and resid 16 and name HG2 )) ((segid A and resid 16 and name HE21 )) 1.80 0.00 2.02
assign ((segid A and resid 16 and name HG2 )) ((segid A and resid 24 and name HB* )) 1.80 0.00 3.26
assign ((segid A and resid 16 and name HG2 )) ((segid A and resid 31 and name HG1* )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HN )) ((segid A and resid 16 and name HB* )) 1.80 0.00 1.98
assign ((segid A and resid 16 and name HN )) ((segid A and resid 16 and name HG1 )) 1.80 0.00 2.71
assign ((segid A and resid 16 and name HN )) ((segid A and resid 16 and name HG2 )) 1.80 0.00 2.71
assign ((segid A and resid 16 and name HN )) ((segid A and resid 17 and name HN )) 1.80 0.00 1.82
assign ((segid A and resid 16 and name HN )) ((segid A and resid 24 and name HB* )) 1.80 0.00 3.74
assign ((segid A and resid 16 and name HN )) ((segid A and resid 25 and name HA )) 1.80 0.00 2.96
assign ((segid A and resid 16 and name HN )) ((segid A and resid 25 and name HB* )) 1.80 0.00 3.73
assign ((segid A and resid 16 and name HN )) ((segid A and resid 25 and name HD2* )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HN )) ((segid A and resid 25 and name HN )) 1.80 0.00 3.22
assign ((segid A and resid 16 and name HN )) ((segid A and resid 26 and name HN )) 1.80 0.00 2.48
assign ((segid A and resid 16 and name HN )) ((segid A and resid 31 and name HG1* )) 1.80 0.00 3.00
assign ((segid A and resid 17 and name HA )) ((segid A and resid 18 and name HN )) 1.80 0.00 2.09
assign ((segid A and resid 17 and name HA )) ((segid A and resid 24 and name HN )) 1.80 0.00 3.91
assign ((segid A and resid 17 and name HB* )) ((segid A and resid 23 and name HA )) 1.80 0.00 3.84
assign ((segid A and resid 17 and name HB* )) ((segid A and resid 24 and name HA )) 1.80 0.00 4.25
assign ((segid A and resid 17 and name HB* )) ((segid A and resid 24 and name HB1 )) 1.80 0.00 3.40
assign ((segid A and resid 17 and name HB* )) ((segid A and resid 24 and name HB2 )) 1.80 0.00 3.40
assign ((segid A and resid 17 and name HB1 )) ((segid A and resid 18 and name HN )) 1.80 0.00 3.19
assign ((segid A and resid 17 and name HB1 )) ((segid A and resid 24 and name HB* )) 1.80 0.00 2.81
assign ((segid A and resid 17 and name HB1 )) ((segid A and resid 24 and name HD1* )) 1.80 0.00 1.95
assign ((segid A and resid 17 and name HB1 )) ((segid A and resid 24 and name HG )) 1.80 0.00 4.14
assign ((segid A and resid 17 and name HB1 )) ((segid A and resid 24 and name HN )) 1.80 0.00 3.41
assign ((segid A and resid 17 and name HB2 )) ((segid A and resid 18 and name HN )) 1.80 0.00 3.19
assign ((segid A and resid 17 and name HB2 )) ((segid A and resid 24 and name HB* )) 1.80 0.00 2.81
assign ((segid A and resid 17 and name HB2 )) ((segid A and resid 24 and name HD1* )) 1.80 0.00 1.95
assign ((segid A and resid 17 and name HB2 )) ((segid A and resid 24 and name HG )) 1.80 0.00 4.14
assign ((segid A and resid 17 and name HB2 )) ((segid A and resid 24 and name HN )) 1.80 0.00 3.41
assign ((segid A and resid 17 and name HN )) ((segid A and resid 18 and name HN )) 1.80 0.00 3.22
assign ((segid A and resid 17 and name HN )) ((segid A and resid 23 and name HG2* )) 1.80 0.00 3.06
assign ((segid A and resid 17 and name HN )) ((segid A and resid 24 and name HB* )) 1.80 0.00 2.24
assign ((segid A and resid 17 and name HN )) ((segid A and resid 24 and name HG )) 1.80 0.00 4.20
assign ((segid A and resid 17 and name HN )) ((segid A and resid 24 and name HN )) 1.80 0.00 2.28
assign ((segid A and resid 18 and name HA )) ((segid A and resid 23 and name HA )) 1.80 0.00 2.70
assign ((segid A and resid 18 and name HA )) ((segid A and resid 23 and name HD1* )) 1.80 0.00 2.39
assign ((segid A and resid 18 and name HA )) ((segid A and resid 24 and name HN )) 1.80 0.00 3.66
assign ((segid A and resid 18 and name HB* )) ((segid A and resid 23 and name HA )) 1.80 0.00 3.80
assign ((segid A and resid 18 and name HB* )) ((segid A and resid 23 and name HD1* )) 1.80 0.00 3.01
assign ((segid A and resid 18 and name HB* )) ((segid A and resid 23 and name HG2* )) 1.80 0.00 2.29
assign ((segid A and resid 18 and name HD* )) ((segid A and resid 23 and name HB )) 1.80 0.00 4.03
assign ((segid A and resid 18 and name HD* )) ((segid A and resid 23 and name HD1* )) 1.80 0.00 2.13
assign ((segid A and resid 18 and name HD* )) ((segid A and resid 23 and name HG11 )) 1.80 0.00 3.52
assign ((segid A and resid 18 and name HD* )) ((segid A and resid 23 and name HG12 )) 1.80 0.00 3.52
assign ((segid A and resid 18 and name HD* )) ((segid A and resid 23 and name HG2* )) 1.80 0.00 2.57
assign ((segid A and resid 18 and name HE* )) ((segid A and resid 23 and name HD1* )) 1.80 0.00 2.43
assign ((segid A and resid 20 and name HA )) ((segid A and resid 39 and name HB1 )) 1.80 0.00 3.52
assign ((segid A and resid 20 and name HA )) ((segid A and resid 39 and name HB2 )) 1.80 0.00 3.52
assign ((segid A and resid 20 and name HA )) ((segid A and resid 39 and name HD1* )) 1.80 0.00 2.81
assign ((segid A and resid 20 and name HA )) ((segid A and resid 39 and name HD2* )) 1.80 0.00 3.32
assign ((segid A and resid 20 and name HA )) ((segid A and resid 39 and name HN )) 1.80 0.00 2.43
assign ((segid A and resid 20 and name HB* )) ((segid A and resid 38 and name HA )) 1.80 0.00 2.60
assign ((segid A and resid 20 and name HB* )) ((segid A and resid 38 and name HN )) 1.80 0.00 2.86
assign ((segid A and resid 20 and name HB* )) ((segid A and resid 39 and name HN )) 1.80 0.00 2.55
assign ((segid A and resid 20 and name HD* )) ((segid A and resid 21 and name HN )) 1.80 0.00 3.63
assign ((segid A and resid 20 and name HG* )) ((segid A and resid 21 and name HN )) 1.80 0.00 3.34
assign ((segid A and resid 21 and name HA )) ((segid A and resid 21 and name HG1 )) 1.80 0.00 2.68
assign ((segid A and resid 21 and name HA )) ((segid A and resid 21 and name HG2 )) 1.80 0.00 2.68
assign ((segid A and resid 21 and name HA )) ((segid A and resid 22 and name HN )) 1.80 0.00 2.06
assign ((segid A and resid 21 and name HA )) ((segid A and resid 39 and name HD2* )) 1.80 0.00 2.91
assign ((segid A and resid 21 and name HB1 )) ((segid A and resid 21 and name HD* )) 1.80 0.00 2.23
assign ((segid A and resid 21 and name HB1 )) ((segid A and resid 21 and name HE* )) 1.80 0.00 2.60
assign ((segid A and resid 21 and name HB1 )) ((segid A and resid 22 and name HN )) 1.80 0.00 3.63
assign ((segid A and resid 21 and name HB2 )) ((segid A and resid 21 and name HD* )) 1.80 0.00 2.23
assign ((segid A and resid 21 and name HB2 )) ((segid A and resid 21 and name HE* )) 1.80 0.00 2.50
assign ((segid A and resid 21 and name HB2 )) ((segid A and resid 22 and name HN )) 1.80 0.00 3.63
assign ((segid A and resid 21 and name HE* )) ((segid A and resid 38 and name HN )) 1.80 0.00 3.68
assign ((segid A and resid 21 and name HG1 )) ((segid A and resid 21 and name HD* )) 1.80 0.00 1.05
assign ((segid A and resid 21 and name HG1 )) ((segid A and resid 21 and name HE* )) 1.80 0.00 1.98
assign ((segid A and resid 21 and name HG1 )) ((segid A and resid 22 and name HN )) 1.80 0.00 3.81
assign ((segid A and resid 21 and name HG2 )) ((segid A and resid 21 and name HD* )) 1.80 0.00 1.05
assign ((segid A and resid 21 and name HG2 )) ((segid A and resid 21 and name HE* )) 1.80 0.00 1.98
assign ((segid A and resid 21 and name HG2 )) ((segid A and resid 22 and name HN )) 1.80 0.00 3.81
assign ((segid A and resid 21 and name HN )) ((segid A and resid 21 and name HE* )) 1.80 0.00 3.77
assign ((segid A and resid 21 and name HN )) ((segid A and resid 21 and name HG1 )) 1.80 0.00 2.78
assign ((segid A and resid 21 and name HN )) ((segid A and resid 21 and name HG2 )) 1.80 0.00 2.78
assign ((segid A and resid 21 and name HN )) ((segid A and resid 22 and name HN )) 1.80 0.00 1.29
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 HA )) ((segid A and resid 23 and name HN )) 1.80 0.00 2.12
assign ((segid A and resid 22 and name HA )) ((segid A and resid 34 and name HG2* )) 1.80 0.00 3.22
assign ((segid A and resid 22 and name HA )) ((segid A and resid 34 and name HN )) 1.80 0.00 3.30
assign ((segid A and resid 22 and name HA )) ((segid A and resid 35 and name HA )) 1.80 0.00 2.00
assign ((segid A and resid 22 and name HA )) ((segid A and resid 35 and name HG* )) 1.80 0.00 3.23
assign ((segid A and resid 22 and name HA )) ((segid A and resid 36 and name HN )) 1.80 0.00 3.38
assign ((segid A and resid 22 and name HA )) ((segid A and resid 39 and name HD2* )) 1.80 0.00 2.53
assign ((segid A and resid 22 and name HB1 )) ((segid A and resid 23 and name HN )) 1.80 0.00 4.13
assign ((segid A and resid 22 and name HB2 )) ((segid A and resid 23 and name HN )) 1.80 0.00 4.13
assign ((segid A and resid 22 and name HG* )) ((segid A and resid 33 and name HA )) 1.80 0.00 4.25
assign ((segid A and resid 22 and name HG* )) ((segid A and resid 34 and name HN )) 1.80 0.00 3.50
assign ((segid A and resid 22 and name HG* )) ((segid A and resid 35 and name HA )) 1.80 0.00 3.51
assign ((segid A and resid 22 and name HG1 )) ((segid A and resid 23 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 22 and name HG2 )) ((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 1.48
assign ((segid A and resid 22 and name HN )) ((segid A and resid 22 and name HG* )) 1.80 0.00 3.74
assign ((segid A and resid 22 and name HN )) ((segid A and resid 23 and name HN )) 1.80 0.00 2.93
assign ((segid A and resid 22 and name HN )) ((segid A and resid 39 and name HD2* )) 1.80 0.00 1.85
assign ((segid A and resid 23 and name HA )) ((segid A and resid 23 and name HD1* )) 1.80 0.00 3.13
assign ((segid A and resid 23 and name HA )) ((segid A and resid 23 and name HG2* )) 1.80 0.00 1.79
assign ((segid A and resid 23 and name HA )) ((segid A and resid 24 and name HN )) 1.80 0.00 2.05
assign ((segid A and resid 23 and name HB )) ((segid A and resid 23 and name HD1* )) 1.80 0.00 1.64
assign ((segid A and resid 23 and name HB )) ((segid A and resid 24 and name HN )) 1.80 0.00 3.90
assign ((segid A and resid 23 and name HB )) ((segid A and resid 34 and name HB )) 1.80 0.00 2.23
assign ((segid A and resid 23 and name HB )) ((segid A and resid 34 and name HD1* )) 1.80 0.00 2.80
assign ((segid A and resid 23 and name HB )) ((segid A and resid 34 and name HN )) 1.80 0.00 2.81
assign ((segid A and resid 23 and name HB )) ((segid A and resid 39 and name HD2* )) 1.80 0.00 3.06
assign ((segid A and resid 23 and name HD1* )) ((segid A and resid 24 and name HN )) 1.80 0.00 3.99
assign ((segid A and resid 23 and name HD1* )) ((segid A and resid 39 and name HB1 )) 1.80 0.00 2.89
assign ((segid A and resid 23 and name HD1* )) ((segid A and resid 39 and name HB2 )) 1.80 0.00 2.89
assign ((segid A and resid 23 and name HD1* )) ((segid A and resid 39 and name HD2* )) 1.80 0.00 1.51
assign ((segid A and resid 23 and name HG1* )) ((segid A and resid 24 and name HN )) 1.80 0.00 3.81
assign ((segid A and resid 23 and name HG11 )) ((segid A and resid 39 and name HD2* )) 1.80 0.00 3.21
assign ((segid A and resid 23 and name HG12 )) ((segid A and resid 39 and name HD2* )) 1.80 0.00 3.21
assign ((segid A and resid 23 and name HG2* )) ((segid A and resid 23 and name HD1* )) 1.80 0.00 1.20
assign ((segid A and resid 23 and name HG2* )) ((segid A and resid 23 and name HG11 )) 1.80 0.00 1.82
assign ((segid A and resid 23 and name HG2* )) ((segid A and resid 23 and name HG12 )) 1.80 0.00 1.82
assign ((segid A and resid 23 and name HG2* )) ((segid A and resid 24 and name HN )) 1.80 0.00 2.07
assign ((segid A and resid 23 and name HG2* )) ((segid A and resid 34 and name HN )) 1.80 0.00 3.33
assign ((segid A and resid 23 and name HN )) ((segid A and resid 23 and name HD1* )) 1.80 0.00 3.13
assign ((segid A and resid 23 and name HN )) ((segid A and resid 23 and name HG2* )) 1.80 0.00 2.75
assign ((segid A and resid 23 and name HN )) ((segid A and resid 34 and name HB )) 1.80 0.00 3.34
assign ((segid A and resid 23 and name HN )) ((segid A and resid 34 and name HD1* )) 1.80 0.00 3.30
assign ((segid A and resid 23 and name HN )) ((segid A and resid 34 and name HG2* )) 1.80 0.00 2.67
assign ((segid A and resid 23 and name HN )) ((segid A and resid 34 and name HN )) 1.80 0.00 3.02
assign ((segid A and resid 23 and name HN )) ((segid A and resid 35 and name HA )) 1.80 0.00 3.51
assign ((segid A and resid 23 and name HN )) ((segid A and resid 35 and name HN )) 1.80 0.00 3.74
assign ((segid A and resid 23 and name HN )) ((segid A and resid 36 and name HN )) 1.80 0.00 4.25
assign ((segid A and resid 23 and name HN )) ((segid A and resid 39 and name HD2* )) 1.80 0.00 3.11
assign ((segid A and resid 24 and name HA )) ((segid A and resid 24 and name HD1* )) 1.80 0.00 2.49
assign ((segid A and resid 24 and name HA )) ((segid A and resid 24 and name HD2* )) 1.80 0.00 1.42
assign ((segid A and resid 24 and name HA )) ((segid A and resid 24 and name HG )) 1.80 0.00 2.27
assign ((segid A and resid 24 and name HA )) ((segid A and resid 25 and name HN )) 1.80 0.00 1.74
assign ((segid A and resid 24 and name HA )) ((segid A and resid 31 and name HG1* )) 1.80 0.00 2.36
assign ((segid A and resid 24 and name HA )) ((segid A and resid 33 and name HA )) 1.80 0.00 2.62
assign ((segid A and resid 24 and name HA )) ((segid A and resid 34 and name HD1* )) 1.80 0.00 3.44
assign ((segid A and resid 24 and name HA )) ((segid A and resid 34 and name HG1* )) 1.80 0.00 3.39
assign ((segid A and resid 24 and name HA )) ((segid A and resid 34 and name HN )) 1.80 0.00 3.00
assign ((segid A and resid 24 and name HB* )) ((segid A and resid 24 and name HD1* )) 1.80 0.00 1.20
assign ((segid A and resid 24 and name HB* )) ((segid A and resid 24 and name HD2* )) 1.80 0.00 1.18
assign ((segid A and resid 24 and name HB* )) ((segid A and resid 25 and name HN )) 1.80 0.00 2.81
assign ((segid A and resid 24 and name HB* )) ((segid A and resid 33 and name HA )) 1.80 0.00 4.07
assign ((segid A and resid 24 and name HD1* )) ((segid A and resid 31 and name HG1* )) 1.80 0.00 2.82
assign ((segid A and resid 24 and name HD1* )) ((segid A and resid 33 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 24 and name HD1* )) ((segid A and resid 33 and name HB* )) 1.80 0.00 3.00
assign ((segid A and resid 24 and name HD2* )) ((segid A and resid 25 and name HN )) 1.80 0.00 2.08
assign ((segid A and resid 24 and name HD2* )) ((segid A and resid 31 and name HB )) 1.80 0.00 3.00
assign ((segid A and resid 24 and name HD2* )) ((segid A and resid 33 and name HA )) 1.80 0.00 2.43
assign ((segid A and resid 24 and name HD2* )) ((segid A and resid 33 and name HB* )) 1.80 0.00 1.51
assign ((segid A and resid 24 and name HD2* )) ((segid A and resid 33 and name HN )) 1.80 0.00 2.81
assign ((segid A and resid 24 and name HG )) ((segid A and resid 33 and name HB* )) 1.80 0.00 3.00
assign ((segid A and resid 24 and name HN )) ((segid A and resid 24 and name HD1* )) 1.80 0.00 2.35
assign ((segid A and resid 24 and name HN )) ((segid A and resid 24 and name HD2* )) 1.80 0.00 3.46
assign ((segid A and resid 24 and name HN )) ((segid A and resid 24 and name HG )) 1.80 0.00 2.97
assign ((segid A and resid 24 and name HN )) ((segid A and resid 25 and name HN )) 1.80 0.00 3.59
assign ((segid A and resid 25 and name HA )) ((segid A and resid 25 and name HD1* )) 1.80 0.00 3.22
assign ((segid A and resid 25 and name HA )) ((segid A and resid 25 and name HD2* )) 1.80 0.00 1.61
assign ((segid A and resid 25 and name HA )) ((segid A and resid 26 and name HN )) 1.80 0.00 1.64
assign ((segid A and resid 25 and name HB1 )) ((segid A and resid 25 and name HD1* )) 1.80 0.00 1.94
assign ((segid A and resid 25 and name HB1 )) ((segid A and resid 25 and name HD2* )) 1.80 0.00 2.37
assign ((segid A and resid 25 and name HB1 )) ((segid A and resid 26 and name HN )) 1.80 0.00 4.17
assign ((segid A and resid 25 and name HB1 )) ((segid A and resid 32 and name HD2* )) 1.80 0.00 3.41
assign ((segid A and resid 25 and name HB2 )) ((segid A and resid 25 and name HD1* )) 1.80 0.00 1.94
assign ((segid A and resid 25 and name HB2 )) ((segid A and resid 25 and name HD2* )) 1.80 0.00 2.37
assign ((segid A and resid 25 and name HB2 )) ((segid A and resid 26 and name HN )) 1.80 0.00 4.17
assign ((segid A and resid 25 and name HB2 )) ((segid A and resid 32 and name HD2* )) 1.80 0.00 3.41
assign ((segid A and resid 25 and name HD1* )) ((segid A and resid 26 and name HN )) 1.80 0.00 4.09
assign ((segid A and resid 25 and name HD1* )) ((segid A and resid 32 and name HB* )) 1.80 0.00 2.90
assign ((segid A and resid 25 and name HD1* )) ((segid A and resid 34 and name HG1* )) 1.80 0.00 2.70
assign ((segid A and resid 25 and name HD2* )) ((segid A and resid 26 and name HN )) 1.80 0.00 2.83
assign ((segid A and resid 25 and name HN )) ((segid A and resid 25 and name HD1* )) 1.80 0.00 2.77
assign ((segid A and resid 25 and name HN )) ((segid A and resid 25 and name HD2* )) 1.80 0.00 2.89
assign ((segid A and resid 25 and name HN )) ((segid A and resid 25 and name HG )) 1.80 0.00 3.37
assign ((segid A and resid 25 and name HN )) ((segid A and resid 26 and name HN )) 1.80 0.00 2.94
assign ((segid A and resid 25 and name HN )) ((segid A and resid 31 and name HG1* )) 1.80 0.00 1.58
assign ((segid A and resid 25 and name HN )) ((segid A and resid 32 and name HN )) 1.80 0.00 2.42
assign ((segid A and resid 25 and name HN )) ((segid A and resid 33 and name HA )) 1.80 0.00 2.97
assign ((segid A and resid 25 and name HN )) ((segid A and resid 34 and name HG1* )) 1.80 0.00 3.51
assign ((segid A and resid 26 and name HA )) ((segid A and resid 26 and name HG* )) 1.80 0.00 2.09
assign ((segid A and resid 26 and name HA )) ((segid A and resid 27 and name HN )) 1.80 0.00 1.65
assign ((segid A and resid 26 and name HA )) ((segid A and resid 31 and name HA )) 1.80 0.00 2.79
assign ((segid A and resid 26 and name HA )) ((segid A and resid 31 and name HG1* )) 1.80 0.00 2.30
assign ((segid A and resid 26 and name HA )) ((segid A and resid 31 and name HG2* )) 1.80 0.00 1.86
assign ((segid A and resid 26 and name HA )) ((segid A and resid 32 and name HN )) 1.80 0.00 2.74
assign ((segid A and resid 26 and name HB* )) ((segid A and resid 31 and name HA )) 1.80 0.00 3.03
assign ((segid A and resid 26 and name HB* )) ((segid A and resid 31 and name HG1* )) 1.80 0.00 3.33
assign ((segid A and resid 26 and name HB* )) ((segid A and resid 31 and name HG2* )) 1.80 0.00 2.31
assign ((segid A and resid 26 and name HB* )) ((segid A and resid 32 and name HN )) 1.80 0.00 4.25
assign ((segid A and resid 26 and name HB1 )) ((segid A and resid 26 and name HG* )) 1.80 0.00 1.35
assign ((segid A and resid 26 and name HB1 )) ((segid A and resid 27 and name HN )) 1.80 0.00 3.04
assign ((segid A and resid 26 and name HB2 )) ((segid A and resid 26 and name HG* )) 1.80 0.00 1.35
assign ((segid A and resid 26 and name HB2 )) ((segid A and resid 27 and name HN )) 1.80 0.00 3.04
assign ((segid A and resid 26 and name HG* )) ((segid A and resid 27 and name HN )) 1.80 0.00 2.70
assign ((segid A and resid 26 and name HG* )) ((segid A and resid 31 and name HG2* )) 1.80 0.00 2.56
assign ((segid A and resid 26 and name HN )) ((segid A and resid 26 and name HG* )) 1.80 0.00 2.60
assign ((segid A and resid 27 and name HA )) ((segid A and resid 27 and name HG* )) 1.80 0.00 2.30
assign ((segid A and resid 27 and name HA )) ((segid A and resid 27 and name HG2* )) 1.80 0.00 2.14
assign ((segid A and resid 27 and name HB )) ((segid A and resid 28 and name HN )) 1.80 0.00 2.68
assign ((segid A and resid 27 and name HG2* )) ((segid A and resid 32 and name HB* )) 1.80 0.00 2.25
assign ((segid A and resid 27 and name HG2* )) ((segid A and resid 32 and name HD1* )) 1.80 0.00 2.88
assign ((segid A and resid 27 and name HG2* )) ((segid A and resid 32 and name HD2* )) 1.80 0.00 3.20
assign ((segid A and resid 27 and name HG2* )) ((segid A and resid 32 and name HN )) 1.80 0.00 2.37
assign ((segid A and resid 27 and name HG2* )) ((segid A and resid 62 and name HE1 )) 1.80 0.00 3.20
assign ((segid A and resid 27 and name HN )) ((segid A and resid 27 and name HG2* )) 1.80 0.00 1.82
assign ((segid A and resid 27 and name HN )) ((segid A and resid 30 and name HN )) 1.80 0.00 2.74
assign ((segid A and resid 27 and name HN )) ((segid A and resid 31 and name HA )) 1.80 0.00 2.38
assign ((segid A and resid 27 and name HN )) ((segid A and resid 31 and name HG1* )) 1.80 0.00 2.92
assign ((segid A and resid 27 and name HN )) ((segid A and resid 31 and name HG2* )) 1.80 0.00 2.60
assign ((segid A and resid 28 and name HA )) ((segid A and resid 28 and name HD1* )) 1.80 0.00 2.40
assign ((segid A and resid 28 and name HA )) ((segid A and resid 28 and name HG11 )) 1.80 0.00 2.45
assign ((segid A and resid 28 and name HA )) ((segid A and resid 28 and name HG12 )) 1.80 0.00 2.45
assign ((segid A and resid 28 and name HA )) ((segid A and resid 28 and name HG2* )) 1.80 0.00 1.80
assign ((segid A and resid 28 and name HB )) ((segid A and resid 28 and name HD1* )) 1.80 0.00 1.79
assign ((segid A and resid 28 and name HB )) ((segid A and resid 29 and name HN )) 1.80 0.00 2.70
assign ((segid A and resid 28 and name HG2* )) ((segid A and resid 28 and name HG11 )) 1.80 0.00 1.78
assign ((segid A and resid 28 and name HG2* )) ((segid A and resid 28 and name HG12 )) 1.80 0.00 1.78
assign ((segid A and resid 28 and name HG2* )) ((segid A and resid 29 and name HN )) 1.80 0.00 2.30
assign ((segid A and resid 28 and name HN )) ((segid A and resid 28 and name HB )) 1.80 0.00 2.35
assign ((segid A and resid 28 and name HN )) ((segid A and resid 28 and name HD1* )) 1.80 0.00 1.93
assign ((segid A and resid 28 and name HN )) ((segid A and resid 29 and name HN )) 1.80 0.00 2.77
assign ((segid A and resid 29 and name HA )) ((segid A and resid 29 and name HG1 )) 1.80 0.00 2.51
assign ((segid A and resid 29 and name HA )) ((segid A and resid 29 and name HG2 )) 1.80 0.00 2.51
assign ((segid A and resid 29 and name HB* )) ((segid A and resid 30 and name HN )) 1.80 0.00 2.27
assign ((segid A and resid 29 and name HG* )) ((segid A and resid 30 and name HN )) 1.80 0.00 3.00
assign ((segid A and resid 29 and name HN )) ((segid A and resid 29 and name HB* )) 1.80 0.00 2.04
assign ((segid A and resid 29 and name HN )) ((segid A and resid 29 and name HG* )) 1.80 0.00 2.50
assign ((segid A and resid 29 and name HN )) ((segid A and resid 30 and name HN )) 1.80 0.00 3.00
assign ((segid A and resid 30 and name HA1 )) ((segid A and resid 31 and name HN )) 1.80 0.00 1.79
assign ((segid A and resid 30 and name HA2 )) ((segid A and resid 31 and name HN )) 1.80 0.00 1.79
assign ((segid A and resid 30 and name HN )) ((segid A and resid 31 and name HN )) 1.80 0.00 3.24
assign ((segid A and resid 31 and name HA )) ((segid A and resid 31 and name HG1* )) 1.80 0.00 1.70
assign ((segid A and resid 31 and name HA )) ((segid A and resid 31 and name HG2* )) 1.80 0.00 1.51
assign ((segid A and resid 31 and name HA )) ((segid A and resid 32 and name HN )) 1.80 0.00 1.80
assign ((segid A and resid 31 and name HB )) ((segid A and resid 32 and name HN )) 1.80 0.00 3.32
assign ((segid A and resid 31 and name HG1* )) ((segid A and resid 32 and name HN )) 1.80 0.00 1.81
assign ((segid A and resid 31 and name HG2* )) ((segid A and resid 32 and name HN )) 1.80 0.00 2.84
assign ((segid A and resid 31 and name HN )) ((segid A and resid 31 and name HB )) 1.80 0.00 1.67
assign ((segid A and resid 31 and name HN )) ((segid A and resid 31 and name HG1* )) 1.80 0.00 2.67
assign ((segid A and resid 31 and name HN )) ((segid A and resid 31 and name HG2* )) 1.80 0.00 1.51
assign ((segid A and resid 31 and name HN )) ((segid A and resid 32 and name HN )) 1.80 0.00 3.19
assign ((segid A and resid 32 and name HA )) ((segid A and resid 32 and name HD1* )) 1.80 0.00 2.01
assign ((segid A and resid 32 and name HA )) ((segid A and resid 32 and name HD2* )) 1.80 0.00 2.73
assign ((segid A and resid 32 and name HA )) ((segid A and resid 33 and name HN )) 1.80 0.00 1.73
assign ((segid A and resid 32 and name HA )) ((segid A and resid 62 and name HD* )) 1.80 0.00 3.00
assign ((segid A and resid 32 and name HB* )) ((segid A and resid 62 and name HD* )) 1.80 0.00 3.35
assign ((segid A and resid 32 and name HB1 )) ((segid A and resid 32 and name HD1* )) 1.80 0.00 1.70
assign ((segid A and resid 32 and name HB1 )) ((segid A and resid 32 and name HD2* )) 1.80 0.00 1.89
assign ((segid A and resid 32 and name HB1 )) ((segid A and resid 33 and name HN )) 1.80 0.00 3.11
assign ((segid A and resid 32 and name HB2 )) ((segid A and resid 32 and name HD1* )) 1.80 0.00 1.70
assign ((segid A and resid 32 and name HB2 )) ((segid A and resid 32 and name HD2* )) 1.80 0.00 1.89
assign ((segid A and resid 32 and name HB2 )) ((segid A and resid 33 and name HN )) 1.80 0.00 3.11
assign ((segid A and resid 32 and name HD1* )) ((segid A and resid 33 and name HN )) 1.80 0.00 3.00
assign ((segid A and resid 32 and name HD1* )) ((segid A and resid 61 and name HA )) 1.80 0.00 4.25
assign ((segid A and resid 32 and name HD1* )) ((segid A and resid 61 and name HN )) 1.80 0.00 2.84
assign ((segid A and resid 32 and name HD1* )) ((segid A and resid 62 and name HA )) 1.80 0.00 2.92
assign ((segid A and resid 32 and name HD1* )) ((segid A and resid 62 and name HB1 )) 1.80 0.00 3.00
assign ((segid A and resid 32 and name HD1* )) ((segid A and resid 62 and name HB2 )) 1.80 0.00 3.00
assign ((segid A and resid 32 and name HD1* )) ((segid A and resid 62 and name HD2 )) 1.80 0.00 3.15
assign ((segid A and resid 32 and name HD1* )) ((segid A and resid 62 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 32 and name HD2* )) ((segid A and resid 33 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 32 and name HN )) ((segid A and resid 32 and name HG )) 1.80 0.00 3.23
assign ((segid A and resid 32 and name HN )) ((segid A and resid 33 and name HN )) 1.80 0.00 3.88
assign ((segid A and resid 33 and name HA )) ((segid A and resid 34 and name HN )) 1.80 0.00 1.95
assign ((segid A and resid 33 and name HB* )) ((segid A and resid 34 and name HN )) 1.80 0.00 2.30
assign ((segid A and resid 33 and name HB* )) ((segid A and resid 61 and name HG1* )) 1.80 0.00 2.46
assign ((segid A and resid 33 and name HB* )) ((segid A and resid 61 and name HG2* )) 1.80 0.00 2.64
assign ((segid A and resid 33 and name HB* )) ((segid A and resid 61 and name HN )) 1.80 0.00 2.57
assign ((segid A and resid 33 and name HN )) ((segid A and resid 34 and name HN )) 1.80 0.00 3.32
assign ((segid A and resid 33 and name HN )) ((segid A and resid 61 and name HB )) 1.80 0.00 2.63
assign ((segid A and resid 33 and name HN )) ((segid A and resid 61 and name HG1* )) 1.80 0.00 3.00
assign ((segid A and resid 33 and name HN )) ((segid A and resid 62 and name HA )) 1.80 0.00 2.72
assign ((segid A and resid 34 and name HA )) ((segid A and resid 34 and name HD1* )) 1.80 0.00 2.63
assign ((segid A and resid 34 and name HA )) ((segid A and resid 34 and name HG2* )) 1.80 0.00 1.85
assign ((segid A and resid 34 and name HA )) ((segid A and resid 35 and name HN )) 1.80 0.00 1.51
assign ((segid A and resid 34 and name HA )) ((segid A and resid 57 and name HG2* )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HA )) ((segid A and resid 60 and name HA )) 1.80 0.00 3.12
assign ((segid A and resid 34 and name HA )) ((segid A and resid 60 and name HB* )) 1.80 0.00 4.25
assign ((segid A and resid 34 and name HA )) ((segid A and resid 60 and name HD2* )) 1.80 0.00 1.85
assign ((segid A and resid 34 and name HB )) ((segid A and resid 34 and name HD1* )) 1.80 0.00 1.72
assign ((segid A and resid 34 and name HB )) ((segid A and resid 35 and name HN )) 1.80 0.00 3.71
assign ((segid A and resid 34 and name HB )) ((segid A and resid 39 and name HD2* )) 1.80 0.00 2.51
assign ((segid A and resid 34 and name HD1* )) ((segid A and resid 60 and name HD2* )) 1.80 0.00 3.05
assign ((segid A and resid 34 and name HG2* )) ((segid A and resid 34 and name HD1* )) 1.80 0.00 1.20
assign ((segid A and resid 34 and name HG2* )) ((segid A and resid 34 and name HG1* )) 1.80 0.00 1.70
assign ((segid A and resid 34 and name HG2* )) ((segid A and resid 35 and name HN )) 1.80 0.00 1.71
assign ((segid A and resid 34 and name HG2* )) ((segid A and resid 39 and name HD2* )) 1.80 0.00 2.29
assign ((segid A and resid 34 and name HG2* )) ((segid A and resid 57 and name HA )) 1.80 0.00 3.01
assign ((segid A and resid 34 and name HG2* )) ((segid A and resid 58 and name HN )) 1.80 0.00 3.71
assign ((segid A and resid 34 and name HG2* )) ((segid A and resid 59 and name HN )) 1.80 0.00 3.42
assign ((segid A and resid 34 and name HG2* )) ((segid A and resid 60 and name HA )) 1.80 0.00 3.39
assign ((segid A and resid 34 and name HN )) ((segid A and resid 34 and name HD1* )) 1.80 0.00 2.68
assign ((segid A and resid 34 and name HN )) ((segid A and resid 34 and name HG11 )) 1.80 0.00 3.62
assign ((segid A and resid 34 and name HN )) ((segid A and resid 34 and name HG12 )) 1.80 0.00 3.62
assign ((segid A and resid 34 and name HN )) ((segid A and resid 34 and name HG2* )) 1.80 0.00 2.59
assign ((segid A and resid 34 and name HN )) ((segid A and resid 35 and name HN )) 1.80 0.00 2.66
assign ((segid A and resid 35 and name HA )) ((segid A and resid 35 and name HD* )) 1.80 0.00 2.50
assign ((segid A and resid 35 and name HA )) ((segid A and resid 35 and name HE* )) 1.80 0.00 3.22
assign ((segid A and resid 35 and name HA )) ((segid A and resid 35 and name HG1 )) 1.80 0.00 2.48
assign ((segid A and resid 35 and name HA )) ((segid A and resid 35 and name HG2 )) 1.80 0.00 2.48
assign ((segid A and resid 35 and name HA )) ((segid A and resid 36 and name HN )) 1.80 0.00 1.32
assign ((segid A and resid 35 and name HA )) ((segid A and resid 39 and name HD2* )) 1.80 0.00 2.68
assign ((segid A and resid 35 and name HA )) ((segid A and resid 60 and name HD2* )) 1.80 0.00 4.25
assign ((segid A and resid 35 and name HB* )) ((segid A and resid 58 and name HB* )) 1.80 0.00 3.01
assign ((segid A and resid 35 and name HB* )) ((segid A and resid 58 and name HN )) 1.80 0.00 3.96
assign ((segid A and resid 35 and name HB* )) ((segid A and resid 60 and name HD2* )) 1.80 0.00 4.18
assign ((segid A and resid 35 and name HB1 )) ((segid A and resid 35 and name HE* )) 1.80 0.00 3.19
assign ((segid A and resid 35 and name HB1 )) ((segid A and resid 36 and name HN )) 1.80 0.00 2.81
assign ((segid A and resid 35 and name HB1 )) ((segid A and resid 59 and name HB* )) 1.80 0.00 3.03
assign ((segid A and resid 35 and name HB1 )) ((segid A and resid 59 and name HN )) 1.80 0.00 2.66
assign ((segid A and resid 35 and name HB2 )) ((segid A and resid 35 and name HE* )) 1.80 0.00 3.19
assign ((segid A and resid 35 and name HB2 )) ((segid A and resid 36 and name HN )) 1.80 0.00 2.81
assign ((segid A and resid 35 and name HB2 )) ((segid A and resid 59 and name HB* )) 1.80 0.00 3.03
assign ((segid A and resid 35 and name HB2 )) ((segid A and resid 59 and name HN )) 1.80 0.00 2.66
assign ((segid A and resid 35 and name HE* )) ((segid A and resid 59 and name HB* )) 1.80 0.00 3.00
assign ((segid A and resid 35 and name HG1 )) ((segid A and resid 35 and name HD* )) 1.80 0.00 1.46
assign ((segid A and resid 35 and name HG1 )) ((segid A and resid 36 and name HN )) 1.80 0.00 4.14
assign ((segid A and resid 35 and name HG2 )) ((segid A and resid 35 and name HD* )) 1.80 0.00 1.46
assign ((segid A and resid 35 and name HG2 )) ((segid A and resid 36 and name HN )) 1.80 0.00 4.14
assign ((segid A and resid 35 and name HN )) ((segid A and resid 35 and name HB1 )) 1.80 0.00 2.42
assign ((segid A and resid 35 and name HN )) ((segid A and resid 35 and name HB2 )) 1.80 0.00 2.42
assign ((segid A and resid 35 and name HN )) ((segid A and resid 35 and name HG1 )) 1.80 0.00 2.86
assign ((segid A and resid 35 and name HN )) ((segid A and resid 35 and name HG2 )) 1.80 0.00 2.86
assign ((segid A and resid 35 and name HN )) ((segid A and resid 36 and name HN )) 1.80 0.00 3.29
assign ((segid A and resid 35 and name HN )) ((segid A and resid 39 and name HD2* )) 1.80 0.00 2.89
assign ((segid A and resid 35 and name HN )) ((segid A and resid 57 and name HG2* )) 1.80 0.00 2.99
assign ((segid A and resid 35 and name HN )) ((segid A and resid 58 and name HN )) 1.80 0.00 3.41
assign ((segid A and resid 35 and name HN )) ((segid A and resid 59 and name HA )) 1.80 0.00 3.90
assign ((segid A and resid 35 and name HN )) ((segid A and resid 59 and name HB* )) 1.80 0.00 2.90
assign ((segid A and resid 35 and name HN )) ((segid A and resid 59 and name HN )) 1.80 0.00 2.16
assign ((segid A and resid 35 and name HN )) ((segid A and resid 60 and name HA )) 1.80 0.00 2.53
assign ((segid A and resid 35 and name HN )) ((segid A and resid 60 and name HD2* )) 1.80 0.00 1.94
assign ((segid A and resid 36 and name HA* )) ((segid A and resid 37 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 36 and name HA* )) ((segid A and resid 39 and name HD1* )) 1.80 0.00 2.77
assign ((segid A and resid 36 and name HA* )) ((segid A and resid 39 and name HD2* )) 1.80 0.00 2.50
assign ((segid A and resid 36 and name HA* )) ((segid A and resid 56 and name HB* )) 1.80 0.00 4.07
assign ((segid A and resid 36 and name HA* )) ((segid A and resid 57 and name HG2* )) 1.80 0.00 3.73
assign ((segid A and resid 36 and name HA* )) ((segid A and resid 58 and name HB1 )) 1.80 0.00 2.95
assign ((segid A and resid 36 and name HA* )) ((segid A and resid 58 and name HB2 )) 1.80 0.00 2.95
assign ((segid A and resid 36 and name HA* )) ((segid A and resid 58 and name HN )) 1.80 0.00 2.47
assign ((segid A and resid 36 and name HA* )) ((segid A and resid 59 and name HN )) 1.80 0.00 3.62
assign ((segid A and resid 36 and name HN )) ((segid A and resid 37 and name HN )) 1.80 0.00 3.16
assign ((segid A and resid 36 and name HN )) ((segid A and resid 39 and name HD2* )) 1.80 0.00 1.93
assign ((segid A and resid 36 and name HN )) ((segid A and resid 57 and name HG2* )) 1.80 0.00 4.25
assign ((segid A and resid 36 and name HN )) ((segid A and resid 58 and name HN )) 1.80 0.00 3.14
assign ((segid A and resid 37 and name HA )) ((segid A and resid 37 and name HG* )) 1.80 0.00 2.02
assign ((segid A and resid 37 and name HA )) ((segid A and resid 38 and name HN )) 1.80 0.00 1.93
assign ((segid A and resid 37 and name HB* )) ((segid A and resid 56 and name HB1 )) 1.80 0.00 4.25
assign ((segid A and resid 37 and name HB* )) ((segid A and resid 56 and name HB2 )) 1.80 0.00 4.25
assign ((segid A and resid 37 and name HB* )) ((segid A and resid 56 and name HD* )) 1.80 0.00 2.93
assign ((segid A and resid 37 and name HB1 )) ((segid A and resid 37 and name HG* )) 1.80 0.00 1.10
assign ((segid A and resid 37 and name HB1 )) ((segid A and resid 38 and name HN )) 1.80 0.00 2.57
assign ((segid A and resid 37 and name HB2 )) ((segid A and resid 37 and name HG* )) 1.80 0.00 1.10
assign ((segid A and resid 37 and name HB2 )) ((segid A and resid 38 and name HN )) 1.80 0.00 2.57
assign ((segid A and resid 37 and name HG* )) ((segid A and resid 38 and name HN )) 1.80 0.00 2.72
assign ((segid A and resid 37 and name HG* )) ((segid A and resid 56 and name HB1 )) 1.80 0.00 3.50
assign ((segid A and resid 37 and name HG* )) ((segid A and resid 56 and name HB2 )) 1.80 0.00 3.30
assign ((segid A and resid 37 and name HG* )) ((segid A and resid 56 and name HD* )) 1.80 0.00 2.58
assign ((segid A and resid 37 and name HG* )) ((segid A and resid 56 and name HD1* )) 1.80 0.00 3.20
assign ((segid A and resid 37 and name HN )) ((segid A and resid 37 and name HG* )) 1.80 0.00 2.24
assign ((segid A and resid 37 and name HN )) ((segid A and resid 56 and name HB1 )) 1.80 0.00 3.13
assign ((segid A and resid 37 and name HN )) ((segid A and resid 56 and name HB2 )) 1.80 0.00 3.13
assign ((segid A and resid 37 and name HN )) ((segid A and resid 56 and name HD* )) 1.80 0.00 3.28
assign ((segid A and resid 37 and name HN )) ((segid A and resid 56 and name HN )) 1.80 0.00 2.60
assign ((segid A and resid 37 and name HN )) ((segid A and resid 57 and name HA )) 1.80 0.00 2.02
assign ((segid A and resid 37 and name HN )) ((segid A and resid 57 and name HG2* )) 1.80 0.00 3.77
assign ((segid A and resid 37 and name HN )) ((segid A and resid 58 and name HN )) 1.80 0.00 3.09
assign ((segid A and resid 38 and name HA )) ((segid A and resid 38 and name HD1 )) 1.80 0.00 3.00
assign ((segid A and resid 38 and name HA )) ((segid A and resid 38 and name HD2 )) 1.80 0.00 3.00
assign ((segid A and resid 38 and name HA )) ((segid A and resid 38 and name HE* )) 1.80 0.00 3.18
assign ((segid A and resid 38 and name HA )) ((segid A and resid 38 and name HG* )) 1.80 0.00 2.05
assign ((segid A and resid 38 and name HB* )) ((segid A and resid 39 and name HN )) 1.80 0.00 2.20
assign ((segid A and resid 38 and name HB* )) ((segid A and resid 55 and name HA1 )) 1.80 0.00 3.60
assign ((segid A and resid 38 and name HB* )) ((segid A and resid 55 and name HA2 )) 1.80 0.00 3.60
assign ((segid A and resid 38 and name HB* )) ((segid A and resid 56 and name HN )) 1.80 0.00 2.07
assign ((segid A and resid 38 and name HB1 )) ((segid A and resid 56 and name HD* )) 1.80 0.00 3.15
assign ((segid A and resid 38 and name HB2 )) ((segid A and resid 56 and name HD* )) 1.80 0.00 3.15
assign ((segid A and resid 38 and name HD* )) ((segid A and resid 56 and name HD* )) 1.80 0.00 3.29
assign ((segid A and resid 38 and name HD* )) ((segid A and resid 56 and name HN )) 1.80 0.00 4.07
assign ((segid A and resid 38 and name HE* )) ((segid A and resid 56 and name HD* )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HG* )) ((segid A and resid 38 and name HD1 )) 1.80 0.00 1.40
assign ((segid A and resid 38 and name HG* )) ((segid A and resid 38 and name HD2 )) 1.80 0.00 1.40
assign ((segid A and resid 38 and name HG* )) ((segid A and resid 38 and name HE* )) 1.80 0.00 1.26
assign ((segid A and resid 38 and name HN )) ((segid A and resid 38 and name HG* )) 1.80 0.00 2.60
assign ((segid A and resid 38 and name HN )) ((segid A and resid 39 and name HN )) 1.80 0.00 2.46
assign ((segid A and resid 38 and name HN )) ((segid A and resid 56 and name HN )) 1.80 0.00 3.96
assign ((segid A and resid 39 and name HA )) ((segid A and resid 39 and name HD1* )) 1.80 0.00 1.83
assign ((segid A and resid 39 and name HA )) ((segid A and resid 39 and name HD2* )) 1.80 0.00 3.05
assign ((segid A and resid 39 and name HA )) ((segid A and resid 55 and name HA1 )) 1.80 0.00 3.18
assign ((segid A and resid 39 and name HA )) ((segid A and resid 55 and name HA2 )) 1.80 0.00 3.18
assign ((segid A and resid 39 and name HA )) ((segid A and resid 56 and name HN )) 1.80 0.00 3.50
assign ((segid A and resid 39 and name HA )) ((segid A and resid 57 and name HG2* )) 1.80 0.00 3.20
assign ((segid A and resid 39 and name HB* )) ((segid A and resid 39 and name HD1* )) 1.80 0.00 2.09
assign ((segid A and resid 39 and name HB1 )) ((segid A and resid 39 and name HD2* )) 1.80 0.00 2.35
assign ((segid A and resid 39 and name HB1 )) ((segid A and resid 40 and name HN )) 1.80 0.00 4.25
assign ((segid A and resid 39 and name HB2 )) ((segid A and resid 39 and name HD2* )) 1.80 0.00 2.35
assign ((segid A and resid 39 and name HB2 )) ((segid A and resid 40 and name HN )) 1.80 0.00 4.25
assign ((segid A and resid 39 and name HD1* )) ((segid A and resid 40 and name HN )) 1.80 0.00 3.06
assign ((segid A and resid 39 and name HD1* )) ((segid A and resid 55 and name HA1 )) 1.80 0.00 3.21
assign ((segid A and resid 39 and name HD1* )) ((segid A and resid 55 and name HA2 )) 1.80 0.00 3.21
assign ((segid A and resid 39 and name HD1* )) ((segid A and resid 56 and name HN )) 1.80 0.00 2.20
assign ((segid A and resid 39 and name HD1* )) ((segid A and resid 57 and name HA )) 1.80 0.00 2.46
assign ((segid A and resid 39 and name HD1* )) ((segid A and resid 57 and name HG2* )) 1.80 0.00 3.00
assign ((segid A and resid 39 and name HD1* )) ((segid A and resid 58 and name HN )) 1.80 0.00 3.71
assign ((segid A and resid 39 and name HD2* )) ((segid A and resid 57 and name HA )) 1.80 0.00 3.60
assign ((segid A and resid 39 and name HG )) ((segid A and resid 55 and name HA* )) 1.80 0.00 3.84
assign ((segid A and resid 39 and name HN )) ((segid A and resid 39 and name HD1* )) 1.80 0.00 1.98
assign ((segid A and resid 39 and name HN )) ((segid A and resid 39 and name HD2* )) 1.80 0.00 2.81
assign ((segid A and resid 39 and name HN )) ((segid A and resid 39 and name HG )) 1.80 0.00 2.86
assign ((segid A and resid 39 and name HN )) ((segid A and resid 40 and name HN )) 1.80 0.00 3.63
assign ((segid A and resid 40 and name HN )) ((segid A and resid 55 and name HA1 )) 1.80 0.00 3.59
assign ((segid A and resid 40 and name HN )) ((segid A and resid 55 and name HA2 )) 1.80 0.00 3.59
assign ((segid A and resid 46 and name HA )) ((segid A and resid 46 and name HD1* )) 1.80 0.00 2.41
assign ((segid A and resid 46 and name HA )) ((segid A and resid 46 and name HD2* )) 1.80 0.00 2.40
assign ((segid A and resid 46 and name HB* )) ((segid A and resid 46 and name HD1* )) 1.80 0.00 1.06
assign ((segid A and resid 46 and name HB* )) ((segid A and resid 46 and name HD2* )) 1.80 0.00 1.49
assign ((segid A and resid 46 and name HB* )) ((segid A and resid 47 and name HN )) 1.80 0.00 2.20
assign ((segid A and resid 46 and name HN )) ((segid A and resid 46 and name HD1* )) 1.80 0.00 3.21
assign ((segid A and resid 46 and name HN )) ((segid A and resid 46 and name HD2* )) 1.80 0.00 3.12
assign ((segid A and resid 46 and name HN )) ((segid A and resid 47 and name HN )) 1.80 0.00 3.06
assign ((segid A and resid 47 and name HA )) ((segid A and resid 47 and name HD* )) 1.80 0.00 2.57
assign ((segid A and resid 47 and name HA )) ((segid A and resid 47 and name HG* )) 1.80 0.00 2.02
assign ((segid A and resid 47 and name HB* )) ((segid A and resid 47 and name HD* )) 1.80 0.00 1.47
assign ((segid A and resid 47 and name HB* )) ((segid A and resid 47 and name HE* )) 1.80 0.00 3.22
assign ((segid A and resid 47 and name HB* )) ((segid A and resid 48 and name HN )) 1.80 0.00 1.99
assign ((segid A and resid 47 and name HD* )) ((segid A and resid 48 and name HN )) 1.80 0.00 3.00
assign ((segid A and resid 47 and name HG1 )) ((segid A and resid 47 and name HE* )) 1.80 0.00 1.78
assign ((segid A and resid 47 and name HG2 )) ((segid A and resid 47 and name HE* )) 1.80 0.00 1.78
assign ((segid A and resid 47 and name HG2 )) ((segid A and resid 48 and name HN )) 1.80 0.00 3.07
assign ((segid A and resid 47 and name HN )) ((segid A and resid 47 and name HB* )) 1.80 0.00 1.57
assign ((segid A and resid 47 and name HN )) ((segid A and resid 47 and name HG* )) 1.80 0.00 2.70
assign ((segid A and resid 47 and name HN )) ((segid A and resid 48 and name HN )) 1.80 0.00 2.90
assign ((segid A and resid 48 and name HA )) ((segid A and resid 49 and name HN )) 1.80 0.00 2.10
assign ((segid A and resid 48 and name HB* )) ((segid A and resid 49 and name HN )) 1.80 0.00 2.00
assign ((segid A and resid 48 and name HN )) ((segid A and resid 48 and name HB* )) 1.80 0.00 1.42
assign ((segid A and resid 48 and name HN )) ((segid A and resid 49 and name HN )) 1.80 0.00 2.00
assign ((segid A and resid 50 and name HA )) ((segid A and resid 51 and name HN )) 1.80 0.00 2.08
assign ((segid A and resid 50 and name HB1 )) ((segid A and resid 50 and name HE21 )) 1.80 0.00 3.80
assign ((segid A and resid 50 and name HB1 )) ((segid A and resid 51 and name HN )) 1.80 0.00 2.96
assign ((segid A and resid 50 and name HB2 )) ((segid A and resid 50 and name HE21 )) 1.80 0.00 3.80
assign ((segid A and resid 50 and name HB2 )) ((segid A and resid 51 and name HN )) 1.80 0.00 2.96
assign ((segid A and resid 50 and name HG* )) ((segid A and resid 50 and name HE21 )) 1.80 0.00 1.97
assign ((segid A and resid 50 and name HG1 )) ((segid A and resid 51 and name HN )) 1.80 0.00 3.41
assign ((segid A and resid 50 and name HG2 )) ((segid A and resid 51 and name HN )) 1.80 0.00 3.41
assign ((segid A and resid 50 and name HN )) ((segid A and resid 50 and name HB1 )) 1.80 0.00 2.38
assign ((segid A and resid 50 and name HN )) ((segid A and resid 50 and name HB2 )) 1.80 0.00 2.38
assign ((segid A and resid 50 and name HN )) ((segid A and resid 50 and name HG1 )) 1.80 0.00 3.00
assign ((segid A and resid 50 and name HN )) ((segid A and resid 50 and name HG2 )) 1.80 0.00 3.00
assign ((segid A and resid 50 and name HN )) ((segid A and resid 51 and name HN )) 1.80 0.00 3.35
assign ((segid A and resid 51 and name HA )) ((segid A and resid 51 and name HG1* )) 1.80 0.00 1.73
assign ((segid A and resid 51 and name HA )) ((segid A and resid 51 and name HG2* )) 1.80 0.00 1.94
assign ((segid A and resid 51 and name HB )) ((segid A and resid 52 and name HN )) 1.80 0.00 2.91
assign ((segid A and resid 51 and name HG1* )) ((segid A and resid 52 and name HN )) 1.80 0.00 2.20
assign ((segid A and resid 51 and name HG2* )) ((segid A and resid 52 and name HN )) 1.80 0.00 2.15
assign ((segid A and resid 51 and name HN )) ((segid A and resid 51 and name HB )) 1.80 0.00 2.42
assign ((segid A and resid 51 and name HN )) ((segid A and resid 51 and name HG1* )) 1.80 0.00 2.06
assign ((segid A and resid 51 and name HN )) ((segid A and resid 51 and name HG2* )) 1.80 0.00 2.61
assign ((segid A and resid 52 and name HA )) ((segid A and resid 52 and name HG1 )) 1.80 0.00 2.79
assign ((segid A and resid 52 and name HA )) ((segid A and resid 52 and name HG2 )) 1.80 0.00 2.79
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 53 and name HN )) 1.80 0.00 2.20
assign ((segid A and resid 52 and name HG1 )) ((segid A and resid 53 and name HN )) 1.80 0.00 3.99
assign ((segid A and resid 52 and name HG2 )) ((segid A and resid 53 and name HN )) 1.80 0.00 3.99
assign ((segid A and resid 52 and name HN )) ((segid A and resid 52 and name HG1 )) 1.80 0.00 3.36
assign ((segid A and resid 52 and name HN )) ((segid A and resid 52 and name HG2 )) 1.80 0.00 3.36
assign ((segid A and resid 53 and name HA )) ((segid A and resid 53 and name HG1* )) 1.80 0.00 1.53
assign ((segid A and resid 53 and name HA )) ((segid A and resid 54 and name HN )) 1.80 0.00 2.00
assign ((segid A and resid 53 and name HB )) ((segid A and resid 54 and name HN )) 1.80 0.00 3.32
assign ((segid A and resid 53 and name HG1* )) ((segid A and resid 54 and name HN )) 1.80 0.00 2.14
assign ((segid A and resid 53 and name HN )) ((segid A and resid 53 and name HG2* )) 1.80 0.00 2.20
assign ((segid A and resid 54 and name HA )) ((segid A and resid 55 and name HN )) 1.80 0.00 1.72
assign ((segid A and resid 54 and name HB* )) ((segid A and resid 55 and name HN )) 1.80 0.00 2.09
assign ((segid A and resid 54 and name HG* )) ((segid A and resid 55 and name HN )) 1.80 0.00 2.97
assign ((segid A and resid 54 and name HN )) ((segid A and resid 54 and name HG* )) 1.80 0.00 2.38
assign ((segid A and resid 55 and name HA* )) ((segid A and resid 56 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 56 and name HA )) ((segid A and resid 56 and name HD* )) 1.80 0.00 1.36
assign ((segid A and resid 56 and name HA )) ((segid A and resid 57 and name HN )) 1.80 0.00 1.81
assign ((segid A and resid 56 and name HB1 )) ((segid A and resid 56 and name HD1* )) 1.80 0.00 2.35
assign ((segid A and resid 56 and name HB1 )) ((segid A and resid 56 and name HD2* )) 1.80 0.00 2.35
assign ((segid A and resid 56 and name HB1 )) ((segid A and resid 57 and name HN )) 1.80 0.00 4.00
assign ((segid A and resid 56 and name HB2 )) ((segid A and resid 56 and name HD1* )) 1.80 0.00 2.35
assign ((segid A and resid 56 and name HB2 )) ((segid A and resid 56 and name HD2* )) 1.80 0.00 2.35
assign ((segid A and resid 56 and name HB2 )) ((segid A and resid 57 and name HN )) 1.80 0.00 4.00
assign ((segid A and resid 56 and name HD* )) ((segid A and resid 57 and name HN )) 1.80 0.00 4.18
assign ((segid A and resid 56 and name HN )) ((segid A and resid 56 and name HB* )) 1.80 0.00 1.95
assign ((segid A and resid 56 and name HN )) ((segid A and resid 56 and name HD* )) 1.80 0.00 2.26
assign ((segid A and resid 56 and name HN )) ((segid A and resid 56 and name HG )) 1.80 0.00 2.30
assign ((segid A and resid 56 and name HN )) ((segid A and resid 57 and name HN )) 1.80 0.00 3.13
assign ((segid A and resid 57 and name HA )) ((segid A and resid 57 and name HD1* )) 1.80 0.00 2.79
assign ((segid A and resid 57 and name HA )) ((segid A and resid 58 and name HN )) 1.80 0.00 2.00
assign ((segid A and resid 57 and name HB )) ((segid A and resid 57 and name HD1* )) 1.80 0.00 1.87
assign ((segid A and resid 57 and name HB )) ((segid A and resid 58 and name HN )) 1.80 0.00 4.01
assign ((segid A and resid 57 and name HD1* )) ((segid A and resid 58 and name HN )) 1.80 0.00 3.69
assign ((segid A and resid 57 and name HG2* )) ((segid A and resid 57 and name HD1* )) 1.80 0.00 1.25
assign ((segid A and resid 57 and name HG2* )) ((segid A and resid 57 and name HG1* )) 1.80 0.00 1.45
assign ((segid A and resid 57 and name HG2* )) ((segid A and resid 58 and name HN )) 1.80 0.00 2.62
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 HD1* )) 1.80 0.00 2.33
assign ((segid A and resid 57 and name HN )) ((segid A and resid 57 and name HG1* )) 1.80 0.00 2.43
assign ((segid A and resid 57 and name HN )) ((segid A and resid 57 and name HG2* )) 1.80 0.00 2.38
assign ((segid A and resid 58 and name HA )) ((segid A and resid 59 and name HN )) 1.80 0.00 2.00
assign ((segid A and resid 58 and name HB1 )) ((segid A and resid 59 and name HN )) 1.80 0.00 2.29
assign ((segid A and resid 58 and name HB2 )) ((segid A and resid 59 and name HB* )) 1.80 0.00 3.23
assign ((segid A and resid 58 and name HB2 )) ((segid A and resid 59 and name HN )) 1.80 0.00 2.29
assign ((segid A and resid 58 and name HN )) ((segid A and resid 59 and name HN )) 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 1.80
assign ((segid A and resid 59 and name HB* )) ((segid A and resid 60 and name HN )) 1.80 0.00 1.89
assign ((segid A and resid 59 and name HN )) ((segid A and resid 59 and name HB* )) 1.80 0.00 1.53
assign ((segid A and resid 59 and name HN )) ((segid A and resid 60 and name HN )) 1.80 0.00 3.07
assign ((segid A and resid 60 and name HA )) ((segid A and resid 60 and name HD1* )) 1.80 0.00 2.40
assign ((segid A and resid 60 and name HA )) ((segid A and resid 60 and name HD2* )) 1.80 0.00 1.86
assign ((segid A and resid 60 and name HA )) ((segid A and resid 61 and name HN )) 1.80 0.00 1.26
assign ((segid A and resid 60 and name HB1 )) ((segid A and resid 60 and name HD1* )) 1.80 0.00 2.04
assign ((segid A and resid 60 and name HB1 )) ((segid A and resid 60 and name HD2* )) 1.80 0.00 2.37
assign ((segid A and resid 60 and name HB1 )) ((segid A and resid 61 and name HN )) 1.80 0.00 3.22
assign ((segid A and resid 60 and name HB2 )) ((segid A and resid 60 and name HD1* )) 1.80 0.00 2.04
assign ((segid A and resid 60 and name HB2 )) ((segid A and resid 60 and name HD2* )) 1.80 0.00 2.37
assign ((segid A and resid 60 and name HB2 )) ((segid A and resid 61 and name HN )) 1.80 0.00 3.22
assign ((segid A and resid 60 and name HG )) ((segid A and resid 61 and name HN )) 1.80 0.00 4.25
assign ((segid A and resid 60 and name HN )) ((segid A and resid 60 and name HD2* )) 1.80 0.00 2.40
assign ((segid A and resid 61 and name HA )) ((segid A and resid 61 and name HG1* )) 1.80 0.00 1.48
assign ((segid A and resid 61 and name HA )) ((segid A and resid 61 and name HG2* )) 1.80 0.00 1.73
assign ((segid A and resid 61 and name HA )) ((segid A and resid 62 and name HN )) 1.80 0.00 1.43
assign ((segid A and resid 61 and name HB )) ((segid A and resid 62 and name HN )) 1.80 0.00 3.29
assign ((segid A and resid 61 and name HG1* )) ((segid A and resid 62 and name HN )) 1.80 0.00 1.75
assign ((segid A and resid 61 and name HN )) ((segid A and resid 61 and name HB )) 1.80 0.00 1.87
assign ((segid A and resid 61 and name HN )) ((segid A and resid 61 and name HG2* )) 1.80 0.00 1.35
assign ((segid A and resid 62 and name HA )) ((segid A and resid 62 and name HD* )) 1.80 0.00 2.46
assign ((segid A and resid 63 and name HA )) ((segid A and resid 64 and name HN )) 1.80 0.00 1.65
assign ((segid A and resid 63 and name HB1 )) ((segid A and resid 64 and name HN )) 1.80 0.00 2.50
assign ((segid A and resid 63 and name HB2 )) ((segid A and resid 64 and name HN )) 1.80 0.00 2.50
assign ((segid A and resid 63 and name HG* )) ((segid A and resid 64 and name HN )) 1.80 0.00 3.85
assign ((segid A and resid 64 and name HA )) ((segid A and resid 64 and name HD1* )) 1.80 0.00 2.40
assign ((segid A and resid 64 and name HA )) ((segid A and resid 64 and name HD2* )) 1.80 0.00 2.16
assign ((segid A and resid 64 and name HA )) ((segid A and resid 65 and name HN )) 1.80 0.00 1.94
assign ((segid A and resid 64 and name HB* )) ((segid A and resid 64 and name HD1* )) 1.80 0.00 1.36
assign ((segid A and resid 64 and name HB* )) ((segid A and resid 64 and name HD2* )) 1.80 0.00 1.51
assign ((segid A and resid 64 and name HB1 )) ((segid A and resid 65 and name HN )) 1.80 0.00 3.15
assign ((segid A and resid 64 and name HB2 )) ((segid A and resid 65 and name HN )) 1.80 0.00 3.15
assign ((segid A and resid 64 and name HD2* )) ((segid A and resid 65 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 64 and name HN )) ((segid A and resid 64 and name HD1* )) 1.80 0.00 2.90
assign ((segid A and resid 64 and name HN )) ((segid A and resid 64 and name HD2* )) 1.80 0.00 3.20
assign ((segid A and resid 64 and name HN )) ((segid A and resid 64 and name HG )) 1.80 0.00 3.20
assign ((segid A and resid 64 and name HN )) ((segid A and resid 65 and name HN )) 1.80 0.00 3.00
assign ((segid A and resid 65 and name HA )) ((segid A and resid 65 and name HG* )) 1.80 0.00 1.53
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 HB* )) ((segid A and resid 66 and name HN )) 1.80 0.00 2.20
assign ((segid A and resid 65 and name HG* )) ((segid A and resid 66 and name HN )) 1.80 0.00 2.93
assign ((segid A and resid 65 and name HN )) ((segid A and resid 65 and name HB* )) 1.80 0.00 1.50
assign ((segid A and resid 65 and name HN )) ((segid A and resid 65 and name HG* )) 1.80 0.00 2.80
assign ((segid A and resid 70 and name HA )) ((segid A and resid 71 and name HN )) 1.80 0.00 1.60
assign ((segid A and resid 70 and name HB* )) ((segid A and resid 71 and name HN )) 1.80 0.00 2.10
assign ((segid B and resid 1 and name HA )) ((segid B and resid 1 and name HG* )) 1.80 0.00 2.09
assign ((segid B and resid 1 and name HA )) ((segid B and resid 2 and name HN )) 1.80 0.00 1.70
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 1 and name HE* )) 1.80 0.00 2.30
assign ((segid B and resid 1 and name HG* )) ((segid B and resid 2 and name HN )) 1.80 0.00 3.09
assign ((segid B and resid 2 and name HA )) ((segid B and resid 3 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 2 and name HB1 )) ((segid B and resid 3 and name HN )) 1.80 0.00 2.90
assign ((segid B and resid 2 and name HB2 )) ((segid B and resid 3 and name HN )) 1.80 0.00 2.90
assign ((segid B and resid 2 and name HN )) ((segid B and resid 2 and name HB1 )) 1.80 0.00 2.30
assign ((segid B and resid 2 and name HN )) ((segid B and resid 2 and name HB2 )) 1.80 0.00 2.30
assign ((segid B and resid 3 and name HA )) ((segid B and resid 4 and name HN )) 1.80 0.00 1.96
assign ((segid B and resid 3 and name HB* )) ((segid B and resid 3 and name HD21 )) 1.80 0.00 2.04
assign ((segid B and resid 3 and name HB* )) ((segid B and resid 56 and name HB* )) 1.80 0.00 3.94
assign ((segid B and resid 3 and name HB* )) ((segid B and resid 56 and name HG )) 1.80 0.00 3.34
assign ((segid B and resid 3 and name HB1 )) ((segid B and resid 4 and name HN )) 1.80 0.00 3.14
assign ((segid B and resid 3 and name HB1 )) ((segid B and resid 56 and name HD* )) 1.80 0.00 1.97
assign ((segid B and resid 3 and name HB2 )) ((segid B and resid 4 and name HN )) 1.80 0.00 3.14
assign ((segid B and resid 3 and name HB2 )) ((segid B and resid 56 and name HD* )) 1.80 0.00 2.40
assign ((segid B and resid 3 and name HD21 )) ((segid B and resid 56 and name HD* )) 1.80 0.00 3.20
assign ((segid B and resid 3 and name HD22 )) ((segid B and resid 56 and name HD* )) 1.80 0.00 3.18
assign ((segid B and resid 3 and name HN )) ((segid B and resid 3 and name HB1 )) 1.80 0.00 2.19
assign ((segid B and resid 3 and name HN )) ((segid B and resid 3 and name HB2 )) 1.80 0.00 2.19
assign ((segid B and resid 3 and name HN )) ((segid B and resid 4 and name HN )) 1.80 0.00 3.00
assign ((segid B and resid 3 and name HN )) ((segid B and resid 56 and name HD* )) 1.80 0.00 3.20
assign ((segid B and resid 4 and name HA )) ((segid B and resid 4 and name HG1 )) 1.80 0.00 2.49
assign ((segid B and resid 4 and name HA )) ((segid B and resid 4 and name HG2 )) 1.80 0.00 2.49
assign ((segid B and resid 4 and name HA )) ((segid B and resid 5 and name HN )) 1.80 0.00 1.76
assign ((segid B and resid 4 and name HA )) ((segid B and resid 56 and name HA )) 1.80 0.00 2.55
assign ((segid B and resid 4 and name HA )) ((segid B and resid 56 and name HB1 )) 1.80 0.00 4.20
assign ((segid B and resid 4 and name HA )) ((segid B and resid 56 and name HB2 )) 1.80 0.00 4.20
assign ((segid B and resid 4 and name HA )) ((segid B and resid 56 and name HD* )) 1.80 0.00 2.63
assign ((segid B and resid 4 and name HB* )) ((segid B and resid 55 and name HA1 )) 1.80 0.00 3.50
assign ((segid B and resid 4 and name HB* )) ((segid B and resid 55 and name HA2 )) 1.80 0.00 3.50
assign ((segid B and resid 4 and name HB* )) ((segid B and resid 56 and name HG )) 1.80 0.00 3.80
assign ((segid B and resid 4 and name HB1 )) ((segid B and resid 4 and name HD1 )) 1.80 0.00 2.51
assign ((segid B and resid 4 and name HB1 )) ((segid B and resid 4 and name HD2 )) 1.80 0.00 2.51
assign ((segid B and resid 4 and name HB1 )) ((segid B and resid 4 and name HE )) 1.80 0.00 2.74
assign ((segid B and resid 4 and name HB1 )) ((segid B and resid 5 and name HN )) 1.80 0.00 3.06
assign ((segid B and resid 4 and name HB1 )) ((segid B and resid 56 and name HA )) 1.80 0.00 3.42
assign ((segid B and resid 4 and name HB1 )) ((segid B and resid 56 and name HD* )) 1.80 0.00 3.00
assign ((segid B and resid 4 and name HB2 )) ((segid B and resid 4 and name HD1 )) 1.80 0.00 2.51
assign ((segid B and resid 4 and name HB2 )) ((segid B and resid 4 and name HD2 )) 1.80 0.00 2.51
assign ((segid B and resid 4 and name HB2 )) ((segid B and resid 4 and name HE )) 1.80 0.00 3.20
assign ((segid B and resid 4 and name HB2 )) ((segid B and resid 5 and name HN )) 1.80 0.00 3.06
assign ((segid B and resid 4 and name HB2 )) ((segid B and resid 56 and name HD* )) 1.80 0.00 3.00
assign ((segid B and resid 4 and name HD* )) ((segid B and resid 55 and name HA* )) 1.80 0.00 3.99
assign ((segid B and resid 4 and name HD1 )) ((segid B and resid 56 and name HD* )) 1.80 0.00 3.66
assign ((segid B and resid 4 and name HD2 )) ((segid B and resid 56 and name HD* )) 1.80 0.00 3.66
assign ((segid B and resid 4 and name HE )) ((segid B and resid 55 and name HA* )) 1.80 0.00 3.70
assign ((segid B and resid 4 and name HE )) ((segid B and resid 56 and name HD* )) 1.80 0.00 2.18
assign ((segid B and resid 4 and name HE )) ((segid B and resid 56 and name HD1* )) 1.80 0.00 3.20
assign ((segid B and resid 4 and name HE )) ((segid B and resid 56 and name HD2* )) 1.80 0.00 3.20
assign ((segid B and resid 4 and name HG* )) ((segid B and resid 55 and name HA* )) 1.80 0.00 3.73
assign ((segid B and resid 4 and name HG1 )) ((segid B and resid 4 and name HE )) 1.80 0.00 2.31
assign ((segid B and resid 4 and name HG2 )) ((segid B and resid 4 and name HE )) 1.80 0.00 2.31
assign ((segid B and resid 4 and name HN )) ((segid B and resid 4 and name HD* )) 1.80 0.00 3.16
assign ((segid B and resid 4 and name HN )) ((segid B and resid 4 and name HG1 )) 1.80 0.00 2.60
assign ((segid B and resid 4 and name HN )) ((segid B and resid 4 and name HG2 )) 1.80 0.00 2.10
assign ((segid B and resid 4 and name HN )) ((segid B and resid 5 and name HN )) 1.80 0.00 3.69
assign ((segid B and resid 4 and name HN )) ((segid B and resid 56 and name HD* )) 1.80 0.00 1.81
assign ((segid B and resid 5 and name HA )) ((segid B and resid 6 and name HN )) 1.80 0.00 2.02
assign ((segid B and resid 5 and name HB* )) ((segid B and resid 6 and name HN )) 1.80 0.00 2.18
assign ((segid B and resid 5 and name HB* )) ((segid B and resid 57 and name HD1* )) 1.80 0.00 2.08
assign ((segid B and resid 5 and name HE2* )) ((segid B and resid 57 and name HD1* )) 1.80 0.00 3.39
assign ((segid B and resid 5 and name HE21 )) ((segid B and resid 57 and name HD1* )) 1.80 0.00 4.25
assign ((segid B and resid 5 and name HE22 )) ((segid B and resid 57 and name HD1* )) 1.80 0.00 4.25
assign ((segid B and resid 5 and name HG* )) ((segid B and resid 6 and name HN )) 1.80 0.00 2.93
assign ((segid B and resid 5 and name HG* )) ((segid B and resid 57 and name HD1* )) 1.80 0.00 2.50
assign ((segid B and resid 5 and name HN )) ((segid B and resid 5 and name HG* )) 1.80 0.00 2.68
assign ((segid B and resid 5 and name HN )) ((segid B and resid 6 and name HN )) 1.80 0.00 3.55
assign ((segid B and resid 5 and name HN )) ((segid B and resid 55 and name HN )) 1.80 0.00 2.18
assign ((segid B and resid 5 and name HN )) ((segid B and resid 56 and name HA )) 1.80 0.00 3.15
assign ((segid B and resid 5 and name HN )) ((segid B and resid 56 and name HD* )) 1.80 0.00 3.41
assign ((segid B and resid 5 and name HN )) ((segid B and resid 56 and name HN )) 1.80 0.00 4.21
assign ((segid B and resid 5 and name HN )) ((segid B and resid 57 and name HD1* )) 1.80 0.00 3.61
assign ((segid B and resid 5 and name HN )) ((segid B and resid 57 and name HG2* )) 1.80 0.00 3.17
assign ((segid B and resid 6 and name HA )) ((segid B and resid 6 and name HD* )) 1.80 0.00 2.48
assign ((segid B and resid 6 and name HA )) ((segid B and resid 7 and name HN )) 1.80 0.00 2.00
assign ((segid B and resid 6 and name HA )) ((segid B and resid 54 and name HA )) 1.80 0.00 2.47
assign ((segid B and resid 6 and name HA )) ((segid B and resid 55 and name HN )) 1.80 0.00 2.90
assign ((segid B and resid 6 and name HB* )) ((segid B and resid 54 and name HG* )) 1.80 0.00 3.80
assign ((segid B and resid 6 and name HB1 )) ((segid B and resid 7 and name HN )) 1.80 0.00 4.10
assign ((segid B and resid 6 and name HB1 )) ((segid B and resid 54 and name HA )) 1.80 0.00 4.10
assign ((segid B and resid 6 and name HB2 )) ((segid B and resid 7 and name HN )) 1.80 0.00 4.10
assign ((segid B and resid 6 and name HB2 )) ((segid B and resid 54 and name HA )) 1.80 0.00 4.10
assign ((segid B and resid 6 and name HD* )) ((segid B and resid 54 and name HA )) 1.80 0.00 2.60
assign ((segid B and resid 6 and name HD* )) ((segid B and resid 54 and name HB* )) 1.80 0.00 2.50
assign ((segid B and resid 6 and name HD* )) ((segid B and resid 54 and name HG* )) 1.80 0.00 2.78
assign ((segid B and resid 6 and name HE* )) ((segid B and resid 54 and name HB* )) 1.80 0.00 3.20
assign ((segid B and resid 6 and name HE* )) ((segid B and resid 54 and name HG* )) 1.80 0.00 3.77
assign ((segid B and resid 6 and name HN )) ((segid B and resid 6 and name HD* )) 1.80 0.00 2.56
assign ((segid B and resid 6 and name HN )) ((segid B and resid 54 and name HA )) 1.80 0.00 4.25
assign ((segid B and resid 6 and name HN )) ((segid B and resid 57 and name HD1* )) 1.80 0.00 3.94
assign ((segid B and resid 7 and name HA )) ((segid B and resid 7 and name HD1* )) 1.80 0.00 2.03
assign ((segid B and resid 7 and name HA )) ((segid B and resid 7 and name HG )) 1.80 0.00 2.02
assign ((segid B and resid 7 and name HA )) ((segid B and resid 8 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 7 and name HB* )) ((segid B and resid 7 and name HD1* )) 1.80 0.00 1.53
assign ((segid B and resid 7 and name HB* )) ((segid B and resid 7 and name HD2* )) 1.80 0.00 1.49
assign ((segid B and resid 7 and name HB* )) ((segid B and resid 34 and name HG2* )) 1.80 0.00 2.72
assign ((segid B and resid 7 and name HB* )) ((segid B and resid 57 and name HD1* )) 1.80 0.00 2.42
assign ((segid B and resid 7 and name HB* )) ((segid B and resid 57 and name HG2* )) 1.80 0.00 3.18
assign ((segid B and resid 7 and name HB* )) ((segid B and resid 60 and name HD2* )) 1.80 0.00 3.00
assign ((segid B and resid 7 and name HD1* )) ((segid B and resid 8 and name HN )) 1.80 0.00 2.55
assign ((segid B and resid 7 and name HD2* )) ((segid B and resid 34 and name HA )) 1.80 0.00 3.30
assign ((segid B and resid 7 and name HD2* )) ((segid B and resid 34 and name HD1* )) 1.80 0.00 1.99
assign ((segid B and resid 7 and name HD2* )) ((segid B and resid 34 and name HG1* )) 1.80 0.00 1.83
assign ((segid B and resid 7 and name HD2* )) ((segid B and resid 60 and name HD2* )) 1.80 0.00 2.12
assign ((segid B and resid 7 and name HG )) ((segid B and resid 8 and name HN )) 1.80 0.00 2.25
assign ((segid B and resid 7 and name HG )) ((segid B and resid 60 and name HD1* )) 1.80 0.00 3.00
assign ((segid B and resid 7 and name HN )) ((segid B and resid 7 and name HG )) 1.80 0.00 3.04
assign ((segid B and resid 7 and name HN )) ((segid B and resid 53 and name HG1* )) 1.80 0.00 3.95
assign ((segid B and resid 7 and name HN )) ((segid B and resid 53 and name HN )) 1.80 0.00 4.09
assign ((segid B and resid 7 and name HN )) ((segid B and resid 54 and name HA )) 1.80 0.00 3.55
assign ((segid B and resid 7 and name HN )) ((segid B and resid 57 and name HD1* )) 1.80 0.00 3.77
assign ((segid B and resid 7 and name HN )) ((segid B and resid 57 and name HG2* )) 1.80 0.00 3.44
assign ((segid B and resid 8 and name HA )) ((segid B and resid 9 and name HN )) 1.80 0.00 1.81
assign ((segid B and resid 8 and name HA )) ((segid B and resid 51 and name HG1* )) 1.80 0.00 3.40
assign ((segid B and resid 8 and name HA )) ((segid B and resid 52 and name HA )) 1.80 0.00 2.29
assign ((segid B and resid 8 and name HA )) ((segid B and resid 52 and name HB* )) 1.80 0.00 3.40
assign ((segid B and resid 8 and name HA )) ((segid B and resid 53 and name HN )) 1.80 0.00 2.86
assign ((segid B and resid 8 and name HB* )) ((segid B and resid 9 and name HN )) 1.80 0.00 2.17
assign ((segid B and resid 8 and name HB* )) ((segid B and resid 52 and name HA )) 1.80 0.00 2.77
assign ((segid B and resid 8 and name HB* )) ((segid B and resid 52 and name HB* )) 1.80 0.00 3.02
assign ((segid B and resid 8 and name HB* )) ((segid B and resid 52 and name HG1 )) 1.80 0.00 3.20
assign ((segid B and resid 8 and name HB* )) ((segid B and resid 52 and name HG2 )) 1.80 0.00 3.20
assign ((segid B and resid 8 and name HB* )) ((segid B and resid 53 and name HN )) 1.80 0.00 4.25
assign ((segid B and resid 8 and name HN )) ((segid B and resid 8 and name HB* )) 1.80 0.00 2.06
assign ((segid B and resid 8 and name HN )) ((segid B and resid 9 and name HN )) 1.80 0.00 3.36
assign ((segid B and resid 9 and name HA )) ((segid B and resid 9 and name HD1* )) 1.80 0.00 1.60
assign ((segid B and resid 9 and name HA )) ((segid B and resid 9 and name HD2* )) 1.80 0.00 2.79
assign ((segid B and resid 9 and name HA )) ((segid B and resid 10 and name HN )) 1.80 0.00 1.42
assign ((segid B and resid 9 and name HB* )) ((segid B and resid 51 and name HN )) 1.80 0.00 3.89
assign ((segid B and resid 9 and name HB1 )) ((segid B and resid 9 and name HD1* )) 1.80 0.00 1.85
assign ((segid B and resid 9 and name HB1 )) ((segid B and resid 9 and name HD2* )) 1.80 0.00 1.94
assign ((segid B and resid 9 and name HB1 )) ((segid B and resid 10 and name HN )) 1.80 0.00 3.19
assign ((segid B and resid 9 and name HB2 )) ((segid B and resid 9 and name HD1* )) 1.80 0.00 1.85
assign ((segid B and resid 9 and name HB2 )) ((segid B and resid 9 and name HD2* )) 1.80 0.00 1.94
assign ((segid B and resid 9 and name HB2 )) ((segid B and resid 10 and name HN )) 1.80 0.00 3.19
assign ((segid B and resid 9 and name HD1* )) ((segid B and resid 10 and name HN )) 1.80 0.00 2.70
assign ((segid B and resid 9 and name HD1* )) ((segid B and resid 27 and name HB )) 1.80 0.00 4.07
assign ((segid B and resid 9 and name HD1* )) ((segid B and resid 27 and name HG2* )) 1.80 0.00 2.93
assign ((segid B and resid 9 and name HD1* )) ((segid B and resid 32 and name HB* )) 1.80 0.00 3.20
assign ((segid B and resid 9 and name HD1* )) ((segid B and resid 32 and name HD1* )) 1.80 0.00 2.91
assign ((segid B and resid 9 and name HD1* )) ((segid B and resid 62 and name HE2 )) 1.80 0.00 3.60
assign ((segid B and resid 9 and name HD2* )) ((segid B and resid 10 and name HN )) 1.80 0.00 3.26
assign ((segid B and resid 9 and name HD2* )) ((segid B and resid 12 and name HG2* )) 1.80 0.00 2.29
assign ((segid B and resid 9 and name HD2* )) ((segid B and resid 27 and name HG* )) 1.80 0.00 3.70
assign ((segid B and resid 9 and name HD2* )) ((segid B and resid 27 and name HG2* )) 1.80 0.00 1.86
assign ((segid B and resid 9 and name HD2* )) ((segid B and resid 51 and name HG1* )) 1.80 0.00 3.20
assign ((segid B and resid 9 and name HG )) ((segid B and resid 10 and name HN )) 1.80 0.00 2.28
assign ((segid B and resid 9 and name HG )) ((segid B and resid 12 and name HG2* )) 1.80 0.00 2.64
assign ((segid B and resid 9 and name HG )) ((segid B and resid 27 and name HG2* )) 1.80 0.00 3.40
assign ((segid B and resid 9 and name HN )) ((segid B and resid 9 and name HD1* )) 1.80 0.00 3.05
assign ((segid B and resid 9 and name HN )) ((segid B and resid 9 and name HD2* )) 1.80 0.00 3.22
assign ((segid B and resid 9 and name HN )) ((segid B and resid 10 and name HN )) 1.80 0.00 3.37
assign ((segid B and resid 9 and name HN )) ((segid B and resid 50 and name HB* )) 1.80 0.00 4.22
assign ((segid B and resid 9 and name HN )) ((segid B and resid 51 and name HB )) 1.80 0.00 4.25
assign ((segid B and resid 9 and name HN )) ((segid B and resid 51 and name HG1* )) 1.80 0.00 2.67
assign ((segid B and resid 9 and name HN )) ((segid B and resid 51 and name HN )) 1.80 0.00 2.75
assign ((segid B and resid 9 and name HN )) ((segid B and resid 52 and name HA )) 1.80 0.00 2.63
assign ((segid B and resid 10 and name HA )) ((segid B and resid 51 and name HN )) 1.80 0.00 3.38
assign ((segid B and resid 10 and name HB )) ((segid B and resid 11 and name HN )) 1.80 0.00 3.21
assign ((segid B and resid 10 and name HG2* )) ((segid B and resid 11 and name HN )) 1.80 0.00 3.06
assign ((segid B and resid 10 and name HG2* )) ((segid B and resid 50 and name HA )) 1.80 0.00 2.64
assign ((segid B and resid 10 and name HG2* )) ((segid B and resid 50 and name HB1 )) 1.80 0.00 3.20
assign ((segid B and resid 10 and name HG2* )) ((segid B and resid 50 and name HB2 )) 1.80 0.00 3.20
assign ((segid B and resid 10 and name HG2* )) ((segid B and resid 50 and name HE21 )) 1.80 0.00 2.99
assign ((segid B and resid 10 and name HG2* )) ((segid B and resid 50 and name HE22 )) 1.80 0.00 3.18
assign ((segid B and resid 10 and name HG2* )) ((segid B and resid 50 and name HG* )) 1.80 0.00 2.50
assign ((segid B and resid 10 and name HG2* )) ((segid B and resid 51 and name HN )) 1.80 0.00 3.13
assign ((segid B and resid 10 and name HN )) ((segid B and resid 10 and name HG2* )) 1.80 0.00 2.00
assign ((segid B and resid 10 and name HN )) ((segid B and resid 51 and name HN )) 1.80 0.00 4.25
assign ((segid B and resid 11 and name HA* )) ((segid B and resid 28 and name HD1* )) 1.80 0.00 3.00
assign ((segid B and resid 11 and name HN )) ((segid B and resid 12 and name HN )) 1.80 0.00 3.34
assign ((segid B and resid 11 and name HN )) ((segid B and resid 50 and name HA )) 1.80 0.00 3.00
assign ((segid B and resid 12 and name HA )) ((segid B and resid 12 and name HG1* )) 1.80 0.00 1.91
assign ((segid B and resid 12 and name HA )) ((segid B and resid 13 and name HN )) 1.80 0.00 2.00
assign ((segid B and resid 12 and name HA )) ((segid B and resid 27 and name HA )) 1.80 0.00 2.86
assign ((segid B and resid 12 and name HA )) ((segid B and resid 27 and name HG* )) 1.80 0.00 3.21
assign ((segid B and resid 12 and name HA )) ((segid B and resid 27 and name HG2* )) 1.80 0.00 3.15
assign ((segid B and resid 12 and name HG1* )) ((segid B and resid 13 and name HA )) 1.80 0.00 2.62
assign ((segid B and resid 12 and name HG1* )) ((segid B and resid 13 and name HN )) 1.80 0.00 2.12
assign ((segid B and resid 12 and name HG1* )) ((segid B and resid 25 and name HA )) 1.80 0.00 2.46
assign ((segid B and resid 12 and name HG1* )) ((segid B and resid 25 and name HB* )) 1.80 0.00 2.02
assign ((segid B and resid 12 and name HG1* )) ((segid B and resid 26 and name HN )) 1.80 0.00 1.87
assign ((segid B and resid 12 and name HG1* )) ((segid B and resid 27 and name HA )) 1.80 0.00 3.05
assign ((segid B and resid 12 and name HG1* )) ((segid B and resid 27 and name HG2* )) 1.80 0.00 3.36
assign ((segid B and resid 12 and name HG2* )) ((segid B and resid 13 and name HN )) 1.80 0.00 2.73
assign ((segid B and resid 12 and name HG2* )) ((segid B and resid 25 and name HB* )) 1.80 0.00 2.04
assign ((segid B and resid 12 and name HG2* )) ((segid B and resid 25 and name HD1* )) 1.80 0.00 2.26
assign ((segid B and resid 12 and name HG2* )) ((segid B and resid 27 and name HA )) 1.80 0.00 2.90
assign ((segid B and resid 12 and name HG2* )) ((segid B and resid 27 and name HB )) 1.80 0.00 2.80
assign ((segid B and resid 12 and name HG2* )) ((segid B and resid 27 and name HG* )) 1.80 0.00 3.12
assign ((segid B and resid 12 and name HG2* )) ((segid B and resid 27 and name HG2* )) 1.80 0.00 2.95
assign ((segid B and resid 12 and name HN )) ((segid B and resid 12 and name HG1* )) 1.80 0.00 3.36
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 13 and name HA )) ((segid B and resid 14 and name HN )) 1.80 0.00 2.00
assign ((segid B and resid 13 and name HA )) ((segid B and resid 46 and name HD1* )) 1.80 0.00 3.15
assign ((segid B and resid 13 and name HA )) ((segid B and resid 46 and name HD2* )) 1.80 0.00 3.00
assign ((segid B and resid 13 and name HA )) ((segid B and resid 49 and name HA* )) 1.80 0.00 3.00
assign ((segid B and resid 13 and name HB* )) ((segid B and resid 26 and name HB* )) 1.80 0.00 3.53
assign ((segid B and resid 13 and name HB* )) ((segid B and resid 27 and name HB )) 1.80 0.00 4.25
assign ((segid B and resid 13 and name HB* )) ((segid B and resid 46 and name HD1* )) 1.80 0.00 3.81
assign ((segid B and resid 13 and name HB1 )) ((segid B and resid 14 and name HN )) 1.80 0.00 2.75
assign ((segid B and resid 13 and name HB1 )) ((segid B and resid 27 and name HA )) 1.80 0.00 3.08
assign ((segid B and resid 13 and name HB2 )) ((segid B and resid 14 and name HN )) 1.80 0.00 2.75
assign ((segid B and resid 13 and name HB2 )) ((segid B and resid 27 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 13 and name HN )) ((segid B and resid 13 and name HB1 )) 1.80 0.00 2.39
assign ((segid B and resid 13 and name HN )) ((segid B and resid 13 and name HB2 )) 1.80 0.00 2.39
assign ((segid B and resid 13 and name HN )) ((segid B and resid 14 and name HN )) 1.80 0.00 1.72
assign ((segid B and resid 13 and name HN )) ((segid B and resid 27 and name HA )) 1.80 0.00 2.51
assign ((segid B and resid 13 and name HN )) ((segid B and resid 27 and name HB )) 1.80 0.00 3.40
assign ((segid B and resid 14 and name HA )) ((segid B and resid 14 and name HD* )) 1.80 0.00 2.83
assign ((segid B and resid 14 and name HA )) ((segid B and resid 15 and name HN )) 1.80 0.00 1.80
assign ((segid B and resid 14 and name HA )) ((segid B and resid 26 and name HN )) 1.80 0.00 3.88
assign ((segid B and resid 14 and name HA )) ((segid B and resid 46 and name HD1* )) 1.80 0.00 1.91
assign ((segid B and resid 14 and name HB* )) ((segid B and resid 26 and name HB* )) 1.80 0.00 3.07
assign ((segid B and resid 14 and name HB1 )) ((segid B and resid 14 and name HE* )) 1.80 0.00 3.00
assign ((segid B and resid 14 and name HB2 )) ((segid B and resid 14 and name HE* )) 1.80 0.00 3.00
assign ((segid B and resid 14 and name HB2 )) ((segid B and resid 46 and name HD1* )) 1.80 0.00 3.56
assign ((segid B and resid 14 and name HD* )) ((segid B and resid 15 and name HN )) 1.80 0.00 3.44
assign ((segid B and resid 14 and name HG* )) ((segid B and resid 26 and name HB* )) 1.80 0.00 3.00
assign ((segid B and resid 14 and name HG* )) ((segid B and resid 26 and name HN )) 1.80 0.00 3.40
assign ((segid B and resid 14 and name HG1 )) ((segid B and resid 14 and name HE* )) 1.80 0.00 1.97
assign ((segid B and resid 14 and name HG2 )) ((segid B and resid 14 and name HE* )) 1.80 0.00 1.97
assign ((segid B and resid 14 and name HN )) ((segid B and resid 14 and name HD* )) 1.80 0.00 3.79
assign ((segid B and resid 14 and name HN )) ((segid B and resid 14 and name HG1 )) 1.80 0.00 3.79
assign ((segid B and resid 14 and name HN )) ((segid B and resid 14 and name HG2 )) 1.80 0.00 3.79
assign ((segid B and resid 14 and name HN )) ((segid B and resid 26 and name HB1 )) 1.80 0.00 3.46
assign ((segid B and resid 14 and name HN )) ((segid B and resid 26 and name HB2 )) 1.80 0.00 3.46
assign ((segid B and resid 14 and name HN )) ((segid B and resid 26 and name HG* )) 1.80 0.00 3.77
assign ((segid B and resid 14 and name HN )) ((segid B and resid 26 and name HN )) 1.80 0.00 2.38
assign ((segid B and resid 14 and name HN )) ((segid B and resid 27 and name HA )) 1.80 0.00 3.26
assign ((segid B and resid 15 and name HA )) ((segid B and resid 15 and name HG1* )) 1.80 0.00 2.01
assign ((segid B and resid 15 and name HA )) ((segid B and resid 15 and name HG2* )) 1.80 0.00 2.28
assign ((segid B and resid 15 and name HA )) ((segid B and resid 16 and name HN )) 1.80 0.00 1.80
assign ((segid B and resid 15 and name HA )) ((segid B and resid 25 and name HA )) 1.80 0.00 2.64
assign ((segid B and resid 15 and name HA )) ((segid B and resid 25 and name HD2* )) 1.80 0.00 3.21
assign ((segid B and resid 15 and name HA )) ((segid B and resid 25 and name HN )) 1.80 0.00 4.02
assign ((segid B and resid 15 and name HA )) ((segid B and resid 26 and name HN )) 1.80 0.00 2.77
assign ((segid B and resid 15 and name HA )) ((segid B and resid 31 and name HG1* )) 1.80 0.00 4.17
assign ((segid B and resid 15 and name HG1* )) ((segid B and resid 16 and name HN )) 1.80 0.00 2.43
assign ((segid B and resid 15 and name HG1* )) ((segid B and resid 25 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HG2* )) ((segid B and resid 16 and name HN )) 1.80 0.00 2.73
assign ((segid B and resid 15 and name HG2* )) ((segid B and resid 25 and name HA )) 1.80 0.00 3.47
assign ((segid B and resid 15 and name HG2* )) ((segid B and resid 25 and name HD2* )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HN )) ((segid B and resid 15 and name HG2* )) 1.80 0.00 2.26
assign ((segid B and resid 16 and name HA )) ((segid B and resid 16 and name HG1 )) 1.80 0.00 2.62
assign ((segid B and resid 16 and name HA )) ((segid B and resid 16 and name HG2 )) 1.80 0.00 2.62
assign ((segid B and resid 16 and name HA )) ((segid B and resid 17 and name HN )) 1.80 0.00 1.80
assign ((segid B and resid 16 and name HA )) ((segid B and resid 24 and name HB* )) 1.80 0.00 3.78
assign ((segid B and resid 16 and name HB* )) ((segid B and resid 16 and name HE21 )) 1.80 0.00 3.22
assign ((segid B and resid 16 and name HB* )) ((segid B and resid 17 and name HN )) 1.80 0.00 1.81
assign ((segid B and resid 16 and name HB* )) ((segid B and resid 24 and name HB* )) 1.80 0.00 2.53
assign ((segid B and resid 16 and name HB* )) ((segid B and resid 25 and name HN )) 1.80 0.00 3.95
assign ((segid B and resid 16 and name HB1 )) ((segid B and resid 31 and name HG1* )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HB2 )) ((segid B and resid 31 and name HG1* )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HE21 )) ((segid B and resid 26 and name HG* )) 1.80 0.00 3.17
assign ((segid B and resid 16 and name HE21 )) ((segid B and resid 31 and name HB )) 1.80 0.00 3.99
assign ((segid B and resid 16 and name HE21 )) ((segid B and resid 31 and name HG1* )) 1.80 0.00 3.14
assign ((segid B and resid 16 and name HE21 )) ((segid B and resid 31 and name HG2* )) 1.80 0.00 2.58
assign ((segid B and resid 16 and name HE22 )) ((segid B and resid 26 and name HB* )) 1.80 0.00 3.81
assign ((segid B and resid 16 and name HE22 )) ((segid B and resid 26 and name HG* )) 1.80 0.00 3.37
assign ((segid B and resid 16 and name HE22 )) ((segid B and resid 31 and name HG1* )) 1.80 0.00 3.00
assign ((segid B and resid 16 and name HE22 )) ((segid B and resid 31 and name HG2* )) 1.80 0.00 3.00
assign ((segid B and resid 16 and name HG* )) ((segid B and resid 25 and name HA )) 1.80 0.00 3.35
assign ((segid B and resid 16 and name HG* )) ((segid B and resid 26 and name HB* )) 1.80 0.00 2.60
assign ((segid B and resid 16 and name HG* )) ((segid B and resid 26 and name HN )) 1.80 0.00 2.80
assign ((segid B and resid 16 and name HG1 )) ((segid B and resid 16 and name HE21 )) 1.80 0.00 2.02
assign ((segid B and resid 16 and name HG1 )) ((segid B and resid 17 and name HN )) 1.80 0.00 3.15
assign ((segid B and resid 16 and name HG1 )) ((segid B and resid 24 and name HB* )) 1.80 0.00 3.26
assign ((segid B and resid 16 and name HG1 )) ((segid B and resid 31 and name HG1* )) 1.80 0.00 2.60
assign ((segid B and resid 16 and name HG2 )) ((segid B and resid 16 and name HE21 )) 1.80 0.00 2.02
assign ((segid B and resid 16 and name HG2 )) ((segid B and resid 24 and name HB* )) 1.80 0.00 3.26
assign ((segid B and resid 16 and name HG2 )) ((segid B and resid 31 and name HG1* )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HN )) ((segid B and resid 16 and name HB* )) 1.80 0.00 1.98
assign ((segid B and resid 16 and name HN )) ((segid B and resid 16 and name HG1 )) 1.80 0.00 2.71
assign ((segid B and resid 16 and name HN )) ((segid B and resid 16 and name HG2 )) 1.80 0.00 2.71
assign ((segid B and resid 16 and name HN )) ((segid B and resid 17 and name HN )) 1.80 0.00 1.82
assign ((segid B and resid 16 and name HN )) ((segid B and resid 24 and name HB* )) 1.80 0.00 3.74
assign ((segid B and resid 16 and name HN )) ((segid B and resid 25 and name HA )) 1.80 0.00 2.96
assign ((segid B and resid 16 and name HN )) ((segid B and resid 25 and name HB* )) 1.80 0.00 3.73
assign ((segid B and resid 16 and name HN )) ((segid B and resid 25 and name HD2* )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HN )) ((segid B and resid 25 and name HN )) 1.80 0.00 3.22
assign ((segid B and resid 16 and name HN )) ((segid B and resid 26 and name HN )) 1.80 0.00 2.48
assign ((segid B and resid 16 and name HN )) ((segid B and resid 31 and name HG1* )) 1.80 0.00 3.00
assign ((segid B and resid 17 and name HA )) ((segid B and resid 18 and name HN )) 1.80 0.00 2.09
assign ((segid B and resid 17 and name HA )) ((segid B and resid 24 and name HN )) 1.80 0.00 3.91
assign ((segid B and resid 17 and name HB* )) ((segid B and resid 23 and name HA )) 1.80 0.00 3.84
assign ((segid B and resid 17 and name HB* )) ((segid B and resid 24 and name HA )) 1.80 0.00 4.25
assign ((segid B and resid 17 and name HB* )) ((segid B and resid 24 and name HB1 )) 1.80 0.00 3.40
assign ((segid B and resid 17 and name HB* )) ((segid B and resid 24 and name HB2 )) 1.80 0.00 3.40
assign ((segid B and resid 17 and name HB1 )) ((segid B and resid 18 and name HN )) 1.80 0.00 3.19
assign ((segid B and resid 17 and name HB1 )) ((segid B and resid 24 and name HB* )) 1.80 0.00 2.81
assign ((segid B and resid 17 and name HB1 )) ((segid B and resid 24 and name HD1* )) 1.80 0.00 1.95
assign ((segid B and resid 17 and name HB1 )) ((segid B and resid 24 and name HG )) 1.80 0.00 4.14
assign ((segid B and resid 17 and name HB1 )) ((segid B and resid 24 and name HN )) 1.80 0.00 3.41
assign ((segid B and resid 17 and name HB2 )) ((segid B and resid 18 and name HN )) 1.80 0.00 3.19
assign ((segid B and resid 17 and name HB2 )) ((segid B and resid 24 and name HB* )) 1.80 0.00 2.81
assign ((segid B and resid 17 and name HB2 )) ((segid B and resid 24 and name HD1* )) 1.80 0.00 1.95
assign ((segid B and resid 17 and name HB2 )) ((segid B and resid 24 and name HG )) 1.80 0.00 4.14
assign ((segid B and resid 17 and name HB2 )) ((segid B and resid 24 and name HN )) 1.80 0.00 3.41
assign ((segid B and resid 17 and name HN )) ((segid B and resid 18 and name HN )) 1.80 0.00 3.22
assign ((segid B and resid 17 and name HN )) ((segid B and resid 23 and name HG2* )) 1.80 0.00 3.06
assign ((segid B and resid 17 and name HN )) ((segid B and resid 24 and name HB* )) 1.80 0.00 2.24
assign ((segid B and resid 17 and name HN )) ((segid B and resid 24 and name HG )) 1.80 0.00 4.20
assign ((segid B and resid 17 and name HN )) ((segid B and resid 24 and name HN )) 1.80 0.00 2.28
assign ((segid B and resid 18 and name HA )) ((segid B and resid 23 and name HA )) 1.80 0.00 2.70
assign ((segid B and resid 18 and name HA )) ((segid B and resid 23 and name HD1* )) 1.80 0.00 2.39
assign ((segid B and resid 18 and name HA )) ((segid B and resid 24 and name HN )) 1.80 0.00 3.66
assign ((segid B and resid 18 and name HB* )) ((segid B and resid 23 and name HA )) 1.80 0.00 3.80
assign ((segid B and resid 18 and name HB* )) ((segid B and resid 23 and name HD1* )) 1.80 0.00 3.01
assign ((segid B and resid 18 and name HB* )) ((segid B and resid 23 and name HG2* )) 1.80 0.00 2.29
assign ((segid B and resid 18 and name HD* )) ((segid B and resid 23 and name HB )) 1.80 0.00 4.03
assign ((segid B and resid 18 and name HD* )) ((segid B and resid 23 and name HD1* )) 1.80 0.00 2.13
assign ((segid B and resid 18 and name HD* )) ((segid B and resid 23 and name HG11 )) 1.80 0.00 3.52
assign ((segid B and resid 18 and name HD* )) ((segid B and resid 23 and name HG12 )) 1.80 0.00 3.52
assign ((segid B and resid 18 and name HD* )) ((segid B and resid 23 and name HG2* )) 1.80 0.00 2.57
assign ((segid B and resid 18 and name HE* )) ((segid B and resid 23 and name HD1* )) 1.80 0.00 2.43
assign ((segid B and resid 20 and name HA )) ((segid B and resid 39 and name HB1 )) 1.80 0.00 3.52
assign ((segid B and resid 20 and name HA )) ((segid B and resid 39 and name HB2 )) 1.80 0.00 3.52
assign ((segid B and resid 20 and name HA )) ((segid B and resid 39 and name HD1* )) 1.80 0.00 2.81
assign ((segid B and resid 20 and name HA )) ((segid B and resid 39 and name HD2* )) 1.80 0.00 3.32
assign ((segid B and resid 20 and name HA )) ((segid B and resid 39 and name HN )) 1.80 0.00 2.43
assign ((segid B and resid 20 and name HB* )) ((segid B and resid 38 and name HA )) 1.80 0.00 2.60
assign ((segid B and resid 20 and name HB* )) ((segid B and resid 38 and name HN )) 1.80 0.00 2.86
assign ((segid B and resid 20 and name HB* )) ((segid B and resid 39 and name HN )) 1.80 0.00 2.55
assign ((segid B and resid 20 and name HD* )) ((segid B and resid 21 and name HN )) 1.80 0.00 3.63
assign ((segid B and resid 20 and name HG* )) ((segid B and resid 21 and name HN )) 1.80 0.00 3.34
assign ((segid B and resid 21 and name HA )) ((segid B and resid 21 and name HG1 )) 1.80 0.00 2.68
assign ((segid B and resid 21 and name HA )) ((segid B and resid 21 and name HG2 )) 1.80 0.00 2.68
assign ((segid B and resid 21 and name HA )) ((segid B and resid 22 and name HN )) 1.80 0.00 2.06
assign ((segid B and resid 21 and name HA )) ((segid B and resid 39 and name HD2* )) 1.80 0.00 2.91
assign ((segid B and resid 21 and name HB1 )) ((segid B and resid 21 and name HD* )) 1.80 0.00 2.23
assign ((segid B and resid 21 and name HB1 )) ((segid B and resid 21 and name HE* )) 1.80 0.00 2.60
assign ((segid B and resid 21 and name HB1 )) ((segid B and resid 22 and name HN )) 1.80 0.00 3.63
assign ((segid B and resid 21 and name HB2 )) ((segid B and resid 21 and name HD* )) 1.80 0.00 2.23
assign ((segid B and resid 21 and name HB2 )) ((segid B and resid 21 and name HE* )) 1.80 0.00 2.50
assign ((segid B and resid 21 and name HB2 )) ((segid B and resid 22 and name HN )) 1.80 0.00 3.63
assign ((segid B and resid 21 and name HE* )) ((segid B and resid 38 and name HN )) 1.80 0.00 3.68
assign ((segid B and resid 21 and name HG1 )) ((segid B and resid 21 and name HD* )) 1.80 0.00 1.05
assign ((segid B and resid 21 and name HG1 )) ((segid B and resid 21 and name HE* )) 1.80 0.00 1.98
assign ((segid B and resid 21 and name HG1 )) ((segid B and resid 22 and name HN )) 1.80 0.00 3.81
assign ((segid B and resid 21 and name HG2 )) ((segid B and resid 21 and name HD* )) 1.80 0.00 1.05
assign ((segid B and resid 21 and name HG2 )) ((segid B and resid 21 and name HE* )) 1.80 0.00 1.98
assign ((segid B and resid 21 and name HG2 )) ((segid B and resid 22 and name HN )) 1.80 0.00 3.81
assign ((segid B and resid 21 and name HN )) ((segid B and resid 21 and name HE* )) 1.80 0.00 3.77
assign ((segid B and resid 21 and name HN )) ((segid B and resid 21 and name HG1 )) 1.80 0.00 2.78
assign ((segid B and resid 21 and name HN )) ((segid B and resid 21 and name HG2 )) 1.80 0.00 2.78
assign ((segid B and resid 21 and name HN )) ((segid B and resid 22 and name HN )) 1.80 0.00 1.29
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 HA )) ((segid B and resid 23 and name HN )) 1.80 0.00 2.12
assign ((segid B and resid 22 and name HA )) ((segid B and resid 34 and name HG2* )) 1.80 0.00 3.22
assign ((segid B and resid 22 and name HA )) ((segid B and resid 34 and name HN )) 1.80 0.00 3.30
assign ((segid B and resid 22 and name HA )) ((segid B and resid 35 and name HA )) 1.80 0.00 2.00
assign ((segid B and resid 22 and name HA )) ((segid B and resid 35 and name HG* )) 1.80 0.00 3.23
assign ((segid B and resid 22 and name HA )) ((segid B and resid 36 and name HN )) 1.80 0.00 3.38
assign ((segid B and resid 22 and name HA )) ((segid B and resid 39 and name HD2* )) 1.80 0.00 2.53
assign ((segid B and resid 22 and name HB1 )) ((segid B and resid 23 and name HN )) 1.80 0.00 4.13
assign ((segid B and resid 22 and name HB2 )) ((segid B and resid 23 and name HN )) 1.80 0.00 4.13
assign ((segid B and resid 22 and name HG* )) ((segid B and resid 33 and name HA )) 1.80 0.00 4.25
assign ((segid B and resid 22 and name HG* )) ((segid B and resid 34 and name HN )) 1.80 0.00 3.50
assign ((segid B and resid 22 and name HG* )) ((segid B and resid 35 and name HA )) 1.80 0.00 3.51
assign ((segid B and resid 22 and name HG1 )) ((segid B and resid 23 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 22 and name HG2 )) ((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 1.48
assign ((segid B and resid 22 and name HN )) ((segid B and resid 22 and name HG* )) 1.80 0.00 3.74
assign ((segid B and resid 22 and name HN )) ((segid B and resid 23 and name HN )) 1.80 0.00 2.93
assign ((segid B and resid 22 and name HN )) ((segid B and resid 39 and name HD2* )) 1.80 0.00 1.85
assign ((segid B and resid 23 and name HA )) ((segid B and resid 23 and name HD1* )) 1.80 0.00 3.13
assign ((segid B and resid 23 and name HA )) ((segid B and resid 23 and name HG2* )) 1.80 0.00 1.79
assign ((segid B and resid 23 and name HA )) ((segid B and resid 24 and name HN )) 1.80 0.00 2.05
assign ((segid B and resid 23 and name HB )) ((segid B and resid 23 and name HD1* )) 1.80 0.00 1.64
assign ((segid B and resid 23 and name HB )) ((segid B and resid 24 and name HN )) 1.80 0.00 3.90
assign ((segid B and resid 23 and name HB )) ((segid B and resid 34 and name HB )) 1.80 0.00 2.23
assign ((segid B and resid 23 and name HB )) ((segid B and resid 34 and name HD1* )) 1.80 0.00 2.80
assign ((segid B and resid 23 and name HB )) ((segid B and resid 34 and name HN )) 1.80 0.00 2.81
assign ((segid B and resid 23 and name HB )) ((segid B and resid 39 and name HD2* )) 1.80 0.00 3.06
assign ((segid B and resid 23 and name HD1* )) ((segid B and resid 24 and name HN )) 1.80 0.00 3.99
assign ((segid B and resid 23 and name HD1* )) ((segid B and resid 39 and name HB1 )) 1.80 0.00 2.89
assign ((segid B and resid 23 and name HD1* )) ((segid B and resid 39 and name HB2 )) 1.80 0.00 2.89
assign ((segid B and resid 23 and name HD1* )) ((segid B and resid 39 and name HD2* )) 1.80 0.00 1.51
assign ((segid B and resid 23 and name HG1* )) ((segid B and resid 24 and name HN )) 1.80 0.00 3.81
assign ((segid B and resid 23 and name HG11 )) ((segid B and resid 39 and name HD2* )) 1.80 0.00 3.21
assign ((segid B and resid 23 and name HG12 )) ((segid B and resid 39 and name HD2* )) 1.80 0.00 3.21
assign ((segid B and resid 23 and name HG2* )) ((segid B and resid 23 and name HD1* )) 1.80 0.00 1.20
assign ((segid B and resid 23 and name HG2* )) ((segid B and resid 23 and name HG11 )) 1.80 0.00 1.82
assign ((segid B and resid 23 and name HG2* )) ((segid B and resid 23 and name HG12 )) 1.80 0.00 1.82
assign ((segid B and resid 23 and name HG2* )) ((segid B and resid 24 and name HN )) 1.80 0.00 2.07
assign ((segid B and resid 23 and name HG2* )) ((segid B and resid 34 and name HN )) 1.80 0.00 3.33
assign ((segid B and resid 23 and name HN )) ((segid B and resid 23 and name HD1* )) 1.80 0.00 3.13
assign ((segid B and resid 23 and name HN )) ((segid B and resid 23 and name HG2* )) 1.80 0.00 2.75
assign ((segid B and resid 23 and name HN )) ((segid B and resid 34 and name HB )) 1.80 0.00 3.34
assign ((segid B and resid 23 and name HN )) ((segid B and resid 34 and name HD1* )) 1.80 0.00 3.30
assign ((segid B and resid 23 and name HN )) ((segid B and resid 34 and name HG2* )) 1.80 0.00 2.67
assign ((segid B and resid 23 and name HN )) ((segid B and resid 34 and name HN )) 1.80 0.00 3.02
assign ((segid B and resid 23 and name HN )) ((segid B and resid 35 and name HA )) 1.80 0.00 3.51
assign ((segid B and resid 23 and name HN )) ((segid B and resid 35 and name HN )) 1.80 0.00 3.74
assign ((segid B and resid 23 and name HN )) ((segid B and resid 36 and name HN )) 1.80 0.00 4.25
assign ((segid B and resid 23 and name HN )) ((segid B and resid 39 and name HD2* )) 1.80 0.00 3.11
assign ((segid B and resid 24 and name HA )) ((segid B and resid 24 and name HD1* )) 1.80 0.00 2.49
assign ((segid B and resid 24 and name HA )) ((segid B and resid 24 and name HD2* )) 1.80 0.00 1.42
assign ((segid B and resid 24 and name HA )) ((segid B and resid 24 and name HG )) 1.80 0.00 2.27
assign ((segid B and resid 24 and name HA )) ((segid B and resid 25 and name HN )) 1.80 0.00 1.74
assign ((segid B and resid 24 and name HA )) ((segid B and resid 31 and name HG1* )) 1.80 0.00 2.36
assign ((segid B and resid 24 and name HA )) ((segid B and resid 33 and name HA )) 1.80 0.00 2.62
assign ((segid B and resid 24 and name HA )) ((segid B and resid 34 and name HD1* )) 1.80 0.00 3.44
assign ((segid B and resid 24 and name HA )) ((segid B and resid 34 and name HG1* )) 1.80 0.00 3.39
assign ((segid B and resid 24 and name HA )) ((segid B and resid 34 and name HN )) 1.80 0.00 3.00
assign ((segid B and resid 24 and name HB* )) ((segid B and resid 24 and name HD1* )) 1.80 0.00 1.20
assign ((segid B and resid 24 and name HB* )) ((segid B and resid 24 and name HD2* )) 1.80 0.00 1.18
assign ((segid B and resid 24 and name HB* )) ((segid B and resid 25 and name HN )) 1.80 0.00 2.81
assign ((segid B and resid 24 and name HB* )) ((segid B and resid 33 and name HA )) 1.80 0.00 4.07
assign ((segid B and resid 24 and name HD1* )) ((segid B and resid 31 and name HG1* )) 1.80 0.00 2.82
assign ((segid B and resid 24 and name HD1* )) ((segid B and resid 33 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 24 and name HD1* )) ((segid B and resid 33 and name HB* )) 1.80 0.00 3.00
assign ((segid B and resid 24 and name HD2* )) ((segid B and resid 25 and name HN )) 1.80 0.00 2.08
assign ((segid B and resid 24 and name HD2* )) ((segid B and resid 31 and name HB )) 1.80 0.00 3.00
assign ((segid B and resid 24 and name HD2* )) ((segid B and resid 33 and name HA )) 1.80 0.00 2.43
assign ((segid B and resid 24 and name HD2* )) ((segid B and resid 33 and name HB* )) 1.80 0.00 1.51
assign ((segid B and resid 24 and name HD2* )) ((segid B and resid 33 and name HN )) 1.80 0.00 2.81
assign ((segid B and resid 24 and name HG )) ((segid B and resid 33 and name HB* )) 1.80 0.00 3.00
assign ((segid B and resid 24 and name HN )) ((segid B and resid 24 and name HD1* )) 1.80 0.00 2.35
assign ((segid B and resid 24 and name HN )) ((segid B and resid 24 and name HD2* )) 1.80 0.00 3.46
assign ((segid B and resid 24 and name HN )) ((segid B and resid 24 and name HG )) 1.80 0.00 2.97
assign ((segid B and resid 24 and name HN )) ((segid B and resid 25 and name HN )) 1.80 0.00 3.59
assign ((segid B and resid 25 and name HA )) ((segid B and resid 25 and name HD1* )) 1.80 0.00 3.22
assign ((segid B and resid 25 and name HA )) ((segid B and resid 25 and name HD2* )) 1.80 0.00 1.61
assign ((segid B and resid 25 and name HA )) ((segid B and resid 26 and name HN )) 1.80 0.00 1.64
assign ((segid B and resid 25 and name HB1 )) ((segid B and resid 25 and name HD1* )) 1.80 0.00 1.94
assign ((segid B and resid 25 and name HB1 )) ((segid B and resid 25 and name HD2* )) 1.80 0.00 2.37
assign ((segid B and resid 25 and name HB1 )) ((segid B and resid 26 and name HN )) 1.80 0.00 4.17
assign ((segid B and resid 25 and name HB1 )) ((segid B and resid 32 and name HD2* )) 1.80 0.00 3.41
assign ((segid B and resid 25 and name HB2 )) ((segid B and resid 25 and name HD1* )) 1.80 0.00 1.94
assign ((segid B and resid 25 and name HB2 )) ((segid B and resid 25 and name HD2* )) 1.80 0.00 2.37
assign ((segid B and resid 25 and name HB2 )) ((segid B and resid 26 and name HN )) 1.80 0.00 4.17
assign ((segid B and resid 25 and name HB2 )) ((segid B and resid 32 and name HD2* )) 1.80 0.00 3.41
assign ((segid B and resid 25 and name HD1* )) ((segid B and resid 26 and name HN )) 1.80 0.00 4.09
assign ((segid B and resid 25 and name HD1* )) ((segid B and resid 32 and name HB* )) 1.80 0.00 2.90
assign ((segid B and resid 25 and name HD1* )) ((segid B and resid 34 and name HG1* )) 1.80 0.00 2.70
assign ((segid B and resid 25 and name HD2* )) ((segid B and resid 26 and name HN )) 1.80 0.00 2.83
assign ((segid B and resid 25 and name HN )) ((segid B and resid 25 and name HD1* )) 1.80 0.00 2.77
assign ((segid B and resid 25 and name HN )) ((segid B and resid 25 and name HD2* )) 1.80 0.00 2.89
assign ((segid B and resid 25 and name HN )) ((segid B and resid 25 and name HG )) 1.80 0.00 3.37
assign ((segid B and resid 25 and name HN )) ((segid B and resid 26 and name HN )) 1.80 0.00 2.94
assign ((segid B and resid 25 and name HN )) ((segid B and resid 31 and name HG1* )) 1.80 0.00 1.58
assign ((segid B and resid 25 and name HN )) ((segid B and resid 32 and name HN )) 1.80 0.00 2.42
assign ((segid B and resid 25 and name HN )) ((segid B and resid 33 and name HA )) 1.80 0.00 2.97
assign ((segid B and resid 25 and name HN )) ((segid B and resid 34 and name HG1* )) 1.80 0.00 3.51
assign ((segid B and resid 26 and name HA )) ((segid B and resid 26 and name HG* )) 1.80 0.00 2.09
assign ((segid B and resid 26 and name HA )) ((segid B and resid 27 and name HN )) 1.80 0.00 1.65
assign ((segid B and resid 26 and name HA )) ((segid B and resid 31 and name HA )) 1.80 0.00 2.79
assign ((segid B and resid 26 and name HA )) ((segid B and resid 31 and name HG1* )) 1.80 0.00 2.30
assign ((segid B and resid 26 and name HA )) ((segid B and resid 31 and name HG2* )) 1.80 0.00 1.86
assign ((segid B and resid 26 and name HA )) ((segid B and resid 32 and name HN )) 1.80 0.00 2.74
assign ((segid B and resid 26 and name HB* )) ((segid B and resid 31 and name HA )) 1.80 0.00 3.03
assign ((segid B and resid 26 and name HB* )) ((segid B and resid 31 and name HG1* )) 1.80 0.00 3.33
assign ((segid B and resid 26 and name HB* )) ((segid B and resid 31 and name HG2* )) 1.80 0.00 2.31
assign ((segid B and resid 26 and name HB* )) ((segid B and resid 32 and name HN )) 1.80 0.00 4.25
assign ((segid B and resid 26 and name HB1 )) ((segid B and resid 26 and name HG* )) 1.80 0.00 1.35
assign ((segid B and resid 26 and name HB1 )) ((segid B and resid 27 and name HN )) 1.80 0.00 3.04
assign ((segid B and resid 26 and name HB2 )) ((segid B and resid 26 and name HG* )) 1.80 0.00 1.35
assign ((segid B and resid 26 and name HB2 )) ((segid B and resid 27 and name HN )) 1.80 0.00 3.04
assign ((segid B and resid 26 and name HG* )) ((segid B and resid 27 and name HN )) 1.80 0.00 2.70
assign ((segid B and resid 26 and name HG* )) ((segid B and resid 31 and name HG2* )) 1.80 0.00 2.56
assign ((segid B and resid 26 and name HN )) ((segid B and resid 26 and name HG* )) 1.80 0.00 2.60
assign ((segid B and resid 27 and name HA )) ((segid B and resid 27 and name HG* )) 1.80 0.00 2.30
assign ((segid B and resid 27 and name HA )) ((segid B and resid 27 and name HG2* )) 1.80 0.00 2.14
assign ((segid B and resid 27 and name HB )) ((segid B and resid 28 and name HN )) 1.80 0.00 2.68
assign ((segid B and resid 27 and name HG2* )) ((segid B and resid 32 and name HB* )) 1.80 0.00 2.25
assign ((segid B and resid 27 and name HG2* )) ((segid B and resid 32 and name HD1* )) 1.80 0.00 2.88
assign ((segid B and resid 27 and name HG2* )) ((segid B and resid 32 and name HD2* )) 1.80 0.00 3.20
assign ((segid B and resid 27 and name HG2* )) ((segid B and resid 32 and name HN )) 1.80 0.00 2.37
assign ((segid B and resid 27 and name HG2* )) ((segid B and resid 62 and name HE1 )) 1.80 0.00 3.20
assign ((segid B and resid 27 and name HN )) ((segid B and resid 27 and name HG2* )) 1.80 0.00 1.82
assign ((segid B and resid 27 and name HN )) ((segid B and resid 30 and name HN )) 1.80 0.00 2.74
assign ((segid B and resid 27 and name HN )) ((segid B and resid 31 and name HA )) 1.80 0.00 2.38
assign ((segid B and resid 27 and name HN )) ((segid B and resid 31 and name HG1* )) 1.80 0.00 2.92
assign ((segid B and resid 27 and name HN )) ((segid B and resid 31 and name HG2* )) 1.80 0.00 2.60
assign ((segid B and resid 28 and name HA )) ((segid B and resid 28 and name HD1* )) 1.80 0.00 2.40
assign ((segid B and resid 28 and name HA )) ((segid B and resid 28 and name HG11 )) 1.80 0.00 2.45
assign ((segid B and resid 28 and name HA )) ((segid B and resid 28 and name HG12 )) 1.80 0.00 2.45
assign ((segid B and resid 28 and name HA )) ((segid B and resid 28 and name HG2* )) 1.80 0.00 1.80
assign ((segid B and resid 28 and name HB )) ((segid B and resid 28 and name HD1* )) 1.80 0.00 1.79
assign ((segid B and resid 28 and name HB )) ((segid B and resid 29 and name HN )) 1.80 0.00 2.70
assign ((segid B and resid 28 and name HG2* )) ((segid B and resid 28 and name HG11 )) 1.80 0.00 1.78
assign ((segid B and resid 28 and name HG2* )) ((segid B and resid 28 and name HG12 )) 1.80 0.00 1.78
assign ((segid B and resid 28 and name HG2* )) ((segid B and resid 29 and name HN )) 1.80 0.00 2.30
assign ((segid B and resid 28 and name HN )) ((segid B and resid 28 and name HB )) 1.80 0.00 2.35
assign ((segid B and resid 28 and name HN )) ((segid B and resid 28 and name HD1* )) 1.80 0.00 1.93
assign ((segid B and resid 28 and name HN )) ((segid B and resid 29 and name HN )) 1.80 0.00 2.77
assign ((segid B and resid 29 and name HA )) ((segid B and resid 29 and name HG1 )) 1.80 0.00 2.51
assign ((segid B and resid 29 and name HA )) ((segid B and resid 29 and name HG2 )) 1.80 0.00 2.51
assign ((segid B and resid 29 and name HB* )) ((segid B and resid 30 and name HN )) 1.80 0.00 2.27
assign ((segid B and resid 29 and name HG* )) ((segid B and resid 30 and name HN )) 1.80 0.00 3.00
assign ((segid B and resid 29 and name HN )) ((segid B and resid 29 and name HB* )) 1.80 0.00 2.04
assign ((segid B and resid 29 and name HN )) ((segid B and resid 29 and name HG* )) 1.80 0.00 2.50
assign ((segid B and resid 29 and name HN )) ((segid B and resid 30 and name HN )) 1.80 0.00 3.00
assign ((segid B and resid 30 and name HA1 )) ((segid B and resid 31 and name HN )) 1.80 0.00 1.79
assign ((segid B and resid 30 and name HA2 )) ((segid B and resid 31 and name HN )) 1.80 0.00 1.79
assign ((segid B and resid 30 and name HN )) ((segid B and resid 31 and name HN )) 1.80 0.00 3.24
assign ((segid B and resid 31 and name HA )) ((segid B and resid 31 and name HG1* )) 1.80 0.00 1.70
assign ((segid B and resid 31 and name HA )) ((segid B and resid 31 and name HG2* )) 1.80 0.00 1.51
assign ((segid B and resid 31 and name HA )) ((segid B and resid 32 and name HN )) 1.80 0.00 1.80
assign ((segid B and resid 31 and name HB )) ((segid B and resid 32 and name HN )) 1.80 0.00 3.32
assign ((segid B and resid 31 and name HG1* )) ((segid B and resid 32 and name HN )) 1.80 0.00 1.81
assign ((segid B and resid 31 and name HG2* )) ((segid B and resid 32 and name HN )) 1.80 0.00 2.84
assign ((segid B and resid 31 and name HN )) ((segid B and resid 31 and name HB )) 1.80 0.00 1.67
assign ((segid B and resid 31 and name HN )) ((segid B and resid 31 and name HG1* )) 1.80 0.00 2.67
assign ((segid B and resid 31 and name HN )) ((segid B and resid 31 and name HG2* )) 1.80 0.00 1.51
assign ((segid B and resid 31 and name HN )) ((segid B and resid 32 and name HN )) 1.80 0.00 3.19
assign ((segid B and resid 32 and name HA )) ((segid B and resid 32 and name HD1* )) 1.80 0.00 2.01
assign ((segid B and resid 32 and name HA )) ((segid B and resid 32 and name HD2* )) 1.80 0.00 2.73
assign ((segid B and resid 32 and name HA )) ((segid B and resid 33 and name HN )) 1.80 0.00 1.73
assign ((segid B and resid 32 and name HA )) ((segid B and resid 62 and name HD* )) 1.80 0.00 3.00
assign ((segid B and resid 32 and name HB* )) ((segid B and resid 62 and name HD* )) 1.80 0.00 3.35
assign ((segid B and resid 32 and name HB1 )) ((segid B and resid 32 and name HD1* )) 1.80 0.00 1.70
assign ((segid B and resid 32 and name HB1 )) ((segid B and resid 32 and name HD2* )) 1.80 0.00 1.89
assign ((segid B and resid 32 and name HB1 )) ((segid B and resid 33 and name HN )) 1.80 0.00 3.11
assign ((segid B and resid 32 and name HB2 )) ((segid B and resid 32 and name HD1* )) 1.80 0.00 1.70
assign ((segid B and resid 32 and name HB2 )) ((segid B and resid 32 and name HD2* )) 1.80 0.00 1.89
assign ((segid B and resid 32 and name HB2 )) ((segid B and resid 33 and name HN )) 1.80 0.00 3.11
assign ((segid B and resid 32 and name HD1* )) ((segid B and resid 33 and name HN )) 1.80 0.00 3.00
assign ((segid B and resid 32 and name HD1* )) ((segid B and resid 61 and name HA )) 1.80 0.00 4.25
assign ((segid B and resid 32 and name HD1* )) ((segid B and resid 61 and name HN )) 1.80 0.00 2.84
assign ((segid B and resid 32 and name HD1* )) ((segid B and resid 62 and name HA )) 1.80 0.00 2.92
assign ((segid B and resid 32 and name HD1* )) ((segid B and resid 62 and name HB1 )) 1.80 0.00 3.00
assign ((segid B and resid 32 and name HD1* )) ((segid B and resid 62 and name HB2 )) 1.80 0.00 3.00
assign ((segid B and resid 32 and name HD1* )) ((segid B and resid 62 and name HD2 )) 1.80 0.00 3.15
assign ((segid B and resid 32 and name HD1* )) ((segid B and resid 62 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 32 and name HD2* )) ((segid B and resid 33 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 32 and name HN )) ((segid B and resid 32 and name HG )) 1.80 0.00 3.23
assign ((segid B and resid 32 and name HN )) ((segid B and resid 33 and name HN )) 1.80 0.00 3.88
assign ((segid B and resid 33 and name HA )) ((segid B and resid 34 and name HN )) 1.80 0.00 1.95
assign ((segid B and resid 33 and name HB* )) ((segid B and resid 34 and name HN )) 1.80 0.00 2.30
assign ((segid B and resid 33 and name HB* )) ((segid B and resid 61 and name HG1* )) 1.80 0.00 2.46
assign ((segid B and resid 33 and name HB* )) ((segid B and resid 61 and name HG2* )) 1.80 0.00 2.64
assign ((segid B and resid 33 and name HB* )) ((segid B and resid 61 and name HN )) 1.80 0.00 2.57
assign ((segid B and resid 33 and name HN )) ((segid B and resid 34 and name HN )) 1.80 0.00 3.32
assign ((segid B and resid 33 and name HN )) ((segid B and resid 61 and name HB )) 1.80 0.00 2.63
assign ((segid B and resid 33 and name HN )) ((segid B and resid 61 and name HG1* )) 1.80 0.00 3.00
assign ((segid B and resid 33 and name HN )) ((segid B and resid 62 and name HA )) 1.80 0.00 2.72
assign ((segid B and resid 34 and name HA )) ((segid B and resid 34 and name HD1* )) 1.80 0.00 2.63
assign ((segid B and resid 34 and name HA )) ((segid B and resid 34 and name HG2* )) 1.80 0.00 1.85
assign ((segid B and resid 34 and name HA )) ((segid B and resid 35 and name HN )) 1.80 0.00 1.51
assign ((segid B and resid 34 and name HA )) ((segid B and resid 57 and name HG2* )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HA )) ((segid B and resid 60 and name HA )) 1.80 0.00 3.12
assign ((segid B and resid 34 and name HA )) ((segid B and resid 60 and name HB* )) 1.80 0.00 4.25
assign ((segid B and resid 34 and name HA )) ((segid B and resid 60 and name HD2* )) 1.80 0.00 1.85
assign ((segid B and resid 34 and name HB )) ((segid B and resid 34 and name HD1* )) 1.80 0.00 1.72
assign ((segid B and resid 34 and name HB )) ((segid B and resid 35 and name HN )) 1.80 0.00 3.71
assign ((segid B and resid 34 and name HB )) ((segid B and resid 39 and name HD2* )) 1.80 0.00 2.51
assign ((segid B and resid 34 and name HD1* )) ((segid B and resid 60 and name HD2* )) 1.80 0.00 3.05
assign ((segid B and resid 34 and name HG2* )) ((segid B and resid 34 and name HD1* )) 1.80 0.00 1.20
assign ((segid B and resid 34 and name HG2* )) ((segid B and resid 34 and name HG1* )) 1.80 0.00 1.70
assign ((segid B and resid 34 and name HG2* )) ((segid B and resid 35 and name HN )) 1.80 0.00 1.71
assign ((segid B and resid 34 and name HG2* )) ((segid B and resid 39 and name HD2* )) 1.80 0.00 2.29
assign ((segid B and resid 34 and name HG2* )) ((segid B and resid 57 and name HA )) 1.80 0.00 3.01
assign ((segid B and resid 34 and name HG2* )) ((segid B and resid 58 and name HN )) 1.80 0.00 3.71
assign ((segid B and resid 34 and name HG2* )) ((segid B and resid 59 and name HN )) 1.80 0.00 3.42
assign ((segid B and resid 34 and name HG2* )) ((segid B and resid 60 and name HA )) 1.80 0.00 3.39
assign ((segid B and resid 34 and name HN )) ((segid B and resid 34 and name HD1* )) 1.80 0.00 2.68
assign ((segid B and resid 34 and name HN )) ((segid B and resid 34 and name HG11 )) 1.80 0.00 3.62
assign ((segid B and resid 34 and name HN )) ((segid B and resid 34 and name HG12 )) 1.80 0.00 3.62
assign ((segid B and resid 34 and name HN )) ((segid B and resid 34 and name HG2* )) 1.80 0.00 2.59
assign ((segid B and resid 34 and name HN )) ((segid B and resid 35 and name HN )) 1.80 0.00 2.66
assign ((segid B and resid 35 and name HA )) ((segid B and resid 35 and name HD* )) 1.80 0.00 2.50
assign ((segid B and resid 35 and name HA )) ((segid B and resid 35 and name HE* )) 1.80 0.00 3.22
assign ((segid B and resid 35 and name HA )) ((segid B and resid 35 and name HG1 )) 1.80 0.00 2.48
assign ((segid B and resid 35 and name HA )) ((segid B and resid 35 and name HG2 )) 1.80 0.00 2.48
assign ((segid B and resid 35 and name HA )) ((segid B and resid 36 and name HN )) 1.80 0.00 1.32
assign ((segid B and resid 35 and name HA )) ((segid B and resid 39 and name HD2* )) 1.80 0.00 2.68
assign ((segid B and resid 35 and name HA )) ((segid B and resid 60 and name HD2* )) 1.80 0.00 4.25
assign ((segid B and resid 35 and name HB* )) ((segid B and resid 58 and name HB* )) 1.80 0.00 3.01
assign ((segid B and resid 35 and name HB* )) ((segid B and resid 58 and name HN )) 1.80 0.00 3.96
assign ((segid B and resid 35 and name HB* )) ((segid B and resid 60 and name HD2* )) 1.80 0.00 4.18
assign ((segid B and resid 35 and name HB1 )) ((segid B and resid 35 and name HE* )) 1.80 0.00 3.19
assign ((segid B and resid 35 and name HB1 )) ((segid B and resid 36 and name HN )) 1.80 0.00 2.81
assign ((segid B and resid 35 and name HB1 )) ((segid B and resid 59 and name HB* )) 1.80 0.00 3.03
assign ((segid B and resid 35 and name HB1 )) ((segid B and resid 59 and name HN )) 1.80 0.00 2.66
assign ((segid B and resid 35 and name HB2 )) ((segid B and resid 35 and name HE* )) 1.80 0.00 3.19
assign ((segid B and resid 35 and name HB2 )) ((segid B and resid 36 and name HN )) 1.80 0.00 2.81
assign ((segid B and resid 35 and name HB2 )) ((segid B and resid 59 and name HB* )) 1.80 0.00 3.03
assign ((segid B and resid 35 and name HB2 )) ((segid B and resid 59 and name HN )) 1.80 0.00 2.66
assign ((segid B and resid 35 and name HE* )) ((segid B and resid 59 and name HB* )) 1.80 0.00 3.00
assign ((segid B and resid 35 and name HG1 )) ((segid B and resid 35 and name HD* )) 1.80 0.00 1.46
assign ((segid B and resid 35 and name HG1 )) ((segid B and resid 36 and name HN )) 1.80 0.00 4.14
assign ((segid B and resid 35 and name HG2 )) ((segid B and resid 35 and name HD* )) 1.80 0.00 1.46
assign ((segid B and resid 35 and name HG2 )) ((segid B and resid 36 and name HN )) 1.80 0.00 4.14
assign ((segid B and resid 35 and name HN )) ((segid B and resid 35 and name HB1 )) 1.80 0.00 2.42
assign ((segid B and resid 35 and name HN )) ((segid B and resid 35 and name HB2 )) 1.80 0.00 2.42
assign ((segid B and resid 35 and name HN )) ((segid B and resid 35 and name HG1 )) 1.80 0.00 2.86
assign ((segid B and resid 35 and name HN )) ((segid B and resid 35 and name HG2 )) 1.80 0.00 2.86
assign ((segid B and resid 35 and name HN )) ((segid B and resid 36 and name HN )) 1.80 0.00 3.29
assign ((segid B and resid 35 and name HN )) ((segid B and resid 39 and name HD2* )) 1.80 0.00 2.89
assign ((segid B and resid 35 and name HN )) ((segid B and resid 57 and name HG2* )) 1.80 0.00 2.99
assign ((segid B and resid 35 and name HN )) ((segid B and resid 58 and name HN )) 1.80 0.00 3.41
assign ((segid B and resid 35 and name HN )) ((segid B and resid 59 and name HA )) 1.80 0.00 3.90
assign ((segid B and resid 35 and name HN )) ((segid B and resid 59 and name HB* )) 1.80 0.00 2.90
assign ((segid B and resid 35 and name HN )) ((segid B and resid 59 and name HN )) 1.80 0.00 2.16
assign ((segid B and resid 35 and name HN )) ((segid B and resid 60 and name HA )) 1.80 0.00 2.53
assign ((segid B and resid 35 and name HN )) ((segid B and resid 60 and name HD2* )) 1.80 0.00 1.94
assign ((segid B and resid 36 and name HA* )) ((segid B and resid 37 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 36 and name HA* )) ((segid B and resid 39 and name HD1* )) 1.80 0.00 2.77
assign ((segid B and resid 36 and name HA* )) ((segid B and resid 39 and name HD2* )) 1.80 0.00 2.50
assign ((segid B and resid 36 and name HA* )) ((segid B and resid 56 and name HB* )) 1.80 0.00 4.07
assign ((segid B and resid 36 and name HA* )) ((segid B and resid 57 and name HG2* )) 1.80 0.00 3.73
assign ((segid B and resid 36 and name HA* )) ((segid B and resid 58 and name HB1 )) 1.80 0.00 2.95
assign ((segid B and resid 36 and name HA* )) ((segid B and resid 58 and name HB2 )) 1.80 0.00 2.95
assign ((segid B and resid 36 and name HA* )) ((segid B and resid 58 and name HN )) 1.80 0.00 2.47
assign ((segid B and resid 36 and name HA* )) ((segid B and resid 59 and name HN )) 1.80 0.00 3.62
assign ((segid B and resid 36 and name HN )) ((segid B and resid 37 and name HN )) 1.80 0.00 3.16
assign ((segid B and resid 36 and name HN )) ((segid B and resid 39 and name HD2* )) 1.80 0.00 1.93
assign ((segid B and resid 36 and name HN )) ((segid B and resid 57 and name HG2* )) 1.80 0.00 4.25
assign ((segid B and resid 36 and name HN )) ((segid B and resid 58 and name HN )) 1.80 0.00 3.14
assign ((segid B and resid 37 and name HA )) ((segid B and resid 37 and name HG* )) 1.80 0.00 2.02
assign ((segid B and resid 37 and name HA )) ((segid B and resid 38 and name HN )) 1.80 0.00 1.93
assign ((segid B and resid 37 and name HB* )) ((segid B and resid 56 and name HB1 )) 1.80 0.00 4.25
assign ((segid B and resid 37 and name HB* )) ((segid B and resid 56 and name HB2 )) 1.80 0.00 4.25
assign ((segid B and resid 37 and name HB* )) ((segid B and resid 56 and name HD* )) 1.80 0.00 2.93
assign ((segid B and resid 37 and name HB1 )) ((segid B and resid 37 and name HG* )) 1.80 0.00 1.10
assign ((segid B and resid 37 and name HB1 )) ((segid B and resid 38 and name HN )) 1.80 0.00 2.57
assign ((segid B and resid 37 and name HB2 )) ((segid B and resid 37 and name HG* )) 1.80 0.00 1.10
assign ((segid B and resid 37 and name HB2 )) ((segid B and resid 38 and name HN )) 1.80 0.00 2.57
assign ((segid B and resid 37 and name HG* )) ((segid B and resid 38 and name HN )) 1.80 0.00 2.72
assign ((segid B and resid 37 and name HG* )) ((segid B and resid 56 and name HB1 )) 1.80 0.00 3.50
assign ((segid B and resid 37 and name HG* )) ((segid B and resid 56 and name HB2 )) 1.80 0.00 3.30
assign ((segid B and resid 37 and name HG* )) ((segid B and resid 56 and name HD* )) 1.80 0.00 2.58
assign ((segid B and resid 37 and name HG* )) ((segid B and resid 56 and name HD1* )) 1.80 0.00 3.20
assign ((segid B and resid 37 and name HN )) ((segid B and resid 37 and name HG* )) 1.80 0.00 2.24
assign ((segid B and resid 37 and name HN )) ((segid B and resid 56 and name HB1 )) 1.80 0.00 3.13
assign ((segid B and resid 37 and name HN )) ((segid B and resid 56 and name HB2 )) 1.80 0.00 3.13
assign ((segid B and resid 37 and name HN )) ((segid B and resid 56 and name HD* )) 1.80 0.00 3.28
assign ((segid B and resid 37 and name HN )) ((segid B and resid 56 and name HN )) 1.80 0.00 2.60
assign ((segid B and resid 37 and name HN )) ((segid B and resid 57 and name HA )) 1.80 0.00 2.02
assign ((segid B and resid 37 and name HN )) ((segid B and resid 57 and name HG2* )) 1.80 0.00 3.77
assign ((segid B and resid 37 and name HN )) ((segid B and resid 58 and name HN )) 1.80 0.00 3.09
assign ((segid B and resid 38 and name HA )) ((segid B and resid 38 and name HD1 )) 1.80 0.00 3.00
assign ((segid B and resid 38 and name HA )) ((segid B and resid 38 and name HD2 )) 1.80 0.00 3.00
assign ((segid B and resid 38 and name HA )) ((segid B and resid 38 and name HE* )) 1.80 0.00 3.18
assign ((segid B and resid 38 and name HA )) ((segid B and resid 38 and name HG* )) 1.80 0.00 2.05
assign ((segid B and resid 38 and name HB* )) ((segid B and resid 39 and name HN )) 1.80 0.00 2.20
assign ((segid B and resid 38 and name HB* )) ((segid B and resid 55 and name HA1 )) 1.80 0.00 3.60
assign ((segid B and resid 38 and name HB* )) ((segid B and resid 55 and name HA2 )) 1.80 0.00 3.60
assign ((segid B and resid 38 and name HB* )) ((segid B and resid 56 and name HN )) 1.80 0.00 2.07
assign ((segid B and resid 38 and name HB1 )) ((segid B and resid 56 and name HD* )) 1.80 0.00 3.15
assign ((segid B and resid 38 and name HB2 )) ((segid B and resid 56 and name HD* )) 1.80 0.00 3.15
assign ((segid B and resid 38 and name HD* )) ((segid B and resid 56 and name HD* )) 1.80 0.00 3.29
assign ((segid B and resid 38 and name HD* )) ((segid B and resid 56 and name HN )) 1.80 0.00 4.07
assign ((segid B and resid 38 and name HE* )) ((segid B and resid 56 and name HD* )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HG* )) ((segid B and resid 38 and name HD1 )) 1.80 0.00 1.40
assign ((segid B and resid 38 and name HG* )) ((segid B and resid 38 and name HD2 )) 1.80 0.00 1.40
assign ((segid B and resid 38 and name HG* )) ((segid B and resid 38 and name HE* )) 1.80 0.00 1.26
assign ((segid B and resid 38 and name HN )) ((segid B and resid 38 and name HG* )) 1.80 0.00 2.60
assign ((segid B and resid 38 and name HN )) ((segid B and resid 39 and name HN )) 1.80 0.00 2.46
assign ((segid B and resid 38 and name HN )) ((segid B and resid 56 and name HN )) 1.80 0.00 3.96
assign ((segid B and resid 39 and name HA )) ((segid B and resid 39 and name HD1* )) 1.80 0.00 1.83
assign ((segid B and resid 39 and name HA )) ((segid B and resid 39 and name HD2* )) 1.80 0.00 3.05
assign ((segid B and resid 39 and name HA )) ((segid B and resid 55 and name HA1 )) 1.80 0.00 3.18
assign ((segid B and resid 39 and name HA )) ((segid B and resid 55 and name HA2 )) 1.80 0.00 3.18
assign ((segid B and resid 39 and name HA )) ((segid B and resid 56 and name HN )) 1.80 0.00 3.50
assign ((segid B and resid 39 and name HA )) ((segid B and resid 57 and name HG2* )) 1.80 0.00 3.20
assign ((segid B and resid 39 and name HB* )) ((segid B and resid 39 and name HD1* )) 1.80 0.00 2.09
assign ((segid B and resid 39 and name HB1 )) ((segid B and resid 39 and name HD2* )) 1.80 0.00 2.35
assign ((segid B and resid 39 and name HB1 )) ((segid B and resid 40 and name HN )) 1.80 0.00 4.25
assign ((segid B and resid 39 and name HB2 )) ((segid B and resid 39 and name HD2* )) 1.80 0.00 2.35
assign ((segid B and resid 39 and name HB2 )) ((segid B and resid 40 and name HN )) 1.80 0.00 4.25
assign ((segid B and resid 39 and name HD1* )) ((segid B and resid 40 and name HN )) 1.80 0.00 3.06
assign ((segid B and resid 39 and name HD1* )) ((segid B and resid 55 and name HA1 )) 1.80 0.00 3.21
assign ((segid B and resid 39 and name HD1* )) ((segid B and resid 55 and name HA2 )) 1.80 0.00 3.21
assign ((segid B and resid 39 and name HD1* )) ((segid B and resid 56 and name HN )) 1.80 0.00 2.20
assign ((segid B and resid 39 and name HD1* )) ((segid B and resid 57 and name HA )) 1.80 0.00 2.46
assign ((segid B and resid 39 and name HD1* )) ((segid B and resid 57 and name HG2* )) 1.80 0.00 3.00
assign ((segid B and resid 39 and name HD1* )) ((segid B and resid 58 and name HN )) 1.80 0.00 3.71
assign ((segid B and resid 39 and name HD2* )) ((segid B and resid 57 and name HA )) 1.80 0.00 3.60
assign ((segid B and resid 39 and name HG )) ((segid B and resid 55 and name HA* )) 1.80 0.00 3.84
assign ((segid B and resid 39 and name HN )) ((segid B and resid 39 and name HD1* )) 1.80 0.00 1.98
assign ((segid B and resid 39 and name HN )) ((segid B and resid 39 and name HD2* )) 1.80 0.00 2.81
assign ((segid B and resid 39 and name HN )) ((segid B and resid 39 and name HG )) 1.80 0.00 2.86
assign ((segid B and resid 39 and name HN )) ((segid B and resid 40 and name HN )) 1.80 0.00 3.63
assign ((segid B and resid 40 and name HN )) ((segid B and resid 55 and name HA1 )) 1.80 0.00 3.59
assign ((segid B and resid 40 and name HN )) ((segid B and resid 55 and name HA2 )) 1.80 0.00 3.59
assign ((segid B and resid 46 and name HA )) ((segid B and resid 46 and name HD1* )) 1.80 0.00 2.41
assign ((segid B and resid 46 and name HA )) ((segid B and resid 46 and name HD2* )) 1.80 0.00 2.40
assign ((segid B and resid 46 and name HB* )) ((segid B and resid 46 and name HD1* )) 1.80 0.00 1.06
assign ((segid B and resid 46 and name HB* )) ((segid B and resid 46 and name HD2* )) 1.80 0.00 1.49
assign ((segid B and resid 46 and name HB* )) ((segid B and resid 47 and name HN )) 1.80 0.00 2.20
assign ((segid B and resid 46 and name HN )) ((segid B and resid 46 and name HD1* )) 1.80 0.00 3.21
assign ((segid B and resid 46 and name HN )) ((segid B and resid 46 and name HD2* )) 1.80 0.00 3.12
assign ((segid B and resid 46 and name HN )) ((segid B and resid 47 and name HN )) 1.80 0.00 3.06
assign ((segid B and resid 47 and name HA )) ((segid B and resid 47 and name HD* )) 1.80 0.00 2.57
assign ((segid B and resid 47 and name HA )) ((segid B and resid 47 and name HG* )) 1.80 0.00 2.02
assign ((segid B and resid 47 and name HB* )) ((segid B and resid 47 and name HD* )) 1.80 0.00 1.47
assign ((segid B and resid 47 and name HB* )) ((segid B and resid 47 and name HE* )) 1.80 0.00 3.22
assign ((segid B and resid 47 and name HB* )) ((segid B and resid 48 and name HN )) 1.80 0.00 1.99
assign ((segid B and resid 47 and name HD* )) ((segid B and resid 48 and name HN )) 1.80 0.00 3.00
assign ((segid B and resid 47 and name HG1 )) ((segid B and resid 47 and name HE* )) 1.80 0.00 1.78
assign ((segid B and resid 47 and name HG2 )) ((segid B and resid 47 and name HE* )) 1.80 0.00 1.78
assign ((segid B and resid 47 and name HG2 )) ((segid B and resid 48 and name HN )) 1.80 0.00 3.07
assign ((segid B and resid 47 and name HN )) ((segid B and resid 47 and name HB* )) 1.80 0.00 1.57
assign ((segid B and resid 47 and name HN )) ((segid B and resid 47 and name HG* )) 1.80 0.00 2.70
assign ((segid B and resid 47 and name HN )) ((segid B and resid 48 and name HN )) 1.80 0.00 2.90
assign ((segid B and resid 48 and name HA )) ((segid B and resid 49 and name HN )) 1.80 0.00 2.10
assign ((segid B and resid 48 and name HB* )) ((segid B and resid 49 and name HN )) 1.80 0.00 2.00
assign ((segid B and resid 48 and name HN )) ((segid B and resid 48 and name HB* )) 1.80 0.00 1.42
assign ((segid B and resid 48 and name HN )) ((segid B and resid 49 and name HN )) 1.80 0.00 2.00
assign ((segid B and resid 50 and name HA )) ((segid B and resid 51 and name HN )) 1.80 0.00 2.08
assign ((segid B and resid 50 and name HB1 )) ((segid B and resid 50 and name HE21 )) 1.80 0.00 3.80
assign ((segid B and resid 50 and name HB1 )) ((segid B and resid 51 and name HN )) 1.80 0.00 2.96
assign ((segid B and resid 50 and name HB2 )) ((segid B and resid 50 and name HE21 )) 1.80 0.00 3.80
assign ((segid B and resid 50 and name HB2 )) ((segid B and resid 51 and name HN )) 1.80 0.00 2.96
assign ((segid B and resid 50 and name HG* )) ((segid B and resid 50 and name HE21 )) 1.80 0.00 1.97
assign ((segid B and resid 50 and name HG1 )) ((segid B and resid 51 and name HN )) 1.80 0.00 3.41
assign ((segid B and resid 50 and name HG2 )) ((segid B and resid 51 and name HN )) 1.80 0.00 3.41
assign ((segid B and resid 50 and name HN )) ((segid B and resid 50 and name HB1 )) 1.80 0.00 2.38
assign ((segid B and resid 50 and name HN )) ((segid B and resid 50 and name HB2 )) 1.80 0.00 2.38
assign ((segid B and resid 50 and name HN )) ((segid B and resid 50 and name HG1 )) 1.80 0.00 3.00
assign ((segid B and resid 50 and name HN )) ((segid B and resid 50 and name HG2 )) 1.80 0.00 3.00
assign ((segid B and resid 50 and name HN )) ((segid B and resid 51 and name HN )) 1.80 0.00 3.35
assign ((segid B and resid 51 and name HA )) ((segid B and resid 51 and name HG1* )) 1.80 0.00 1.73
assign ((segid B and resid 51 and name HA )) ((segid B and resid 51 and name HG2* )) 1.80 0.00 1.94
assign ((segid B and resid 51 and name HB )) ((segid B and resid 52 and name HN )) 1.80 0.00 2.91
assign ((segid B and resid 51 and name HG1* )) ((segid B and resid 52 and name HN )) 1.80 0.00 2.20
assign ((segid B and resid 51 and name HG2* )) ((segid B and resid 52 and name HN )) 1.80 0.00 2.15
assign ((segid B and resid 51 and name HN )) ((segid B and resid 51 and name HB )) 1.80 0.00 2.42
assign ((segid B and resid 51 and name HN )) ((segid B and resid 51 and name HG1* )) 1.80 0.00 2.06
assign ((segid B and resid 51 and name HN )) ((segid B and resid 51 and name HG2* )) 1.80 0.00 2.61
assign ((segid B and resid 52 and name HA )) ((segid B and resid 52 and name HG1 )) 1.80 0.00 2.79
assign ((segid B and resid 52 and name HA )) ((segid B and resid 52 and name HG2 )) 1.80 0.00 2.79
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 53 and name HN )) 1.80 0.00 2.20
assign ((segid B and resid 52 and name HG1 )) ((segid B and resid 53 and name HN )) 1.80 0.00 3.99
assign ((segid B and resid 52 and name HG2 )) ((segid B and resid 53 and name HN )) 1.80 0.00 3.99
assign ((segid B and resid 52 and name HN )) ((segid B and resid 52 and name HG1 )) 1.80 0.00 3.36
assign ((segid B and resid 52 and name HN )) ((segid B and resid 52 and name HG2 )) 1.80 0.00 3.36
assign ((segid B and resid 53 and name HA )) ((segid B and resid 53 and name HG1* )) 1.80 0.00 1.53
assign ((segid B and resid 53 and name HA )) ((segid B and resid 54 and name HN )) 1.80 0.00 2.00
assign ((segid B and resid 53 and name HB )) ((segid B and resid 54 and name HN )) 1.80 0.00 3.32
assign ((segid B and resid 53 and name HG1* )) ((segid B and resid 54 and name HN )) 1.80 0.00 2.14
assign ((segid B and resid 53 and name HN )) ((segid B and resid 53 and name HG2* )) 1.80 0.00 2.20
assign ((segid B and resid 54 and name HA )) ((segid B and resid 55 and name HN )) 1.80 0.00 1.72
assign ((segid B and resid 54 and name HB* )) ((segid B and resid 55 and name HN )) 1.80 0.00 2.09
assign ((segid B and resid 54 and name HG* )) ((segid B and resid 55 and name HN )) 1.80 0.00 2.97
assign ((segid B and resid 54 and name HN )) ((segid B and resid 54 and name HG* )) 1.80 0.00 2.38
assign ((segid B and resid 55 and name HA* )) ((segid B and resid 56 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 56 and name HA )) ((segid B and resid 56 and name HD* )) 1.80 0.00 1.36
assign ((segid B and resid 56 and name HA )) ((segid B and resid 57 and name HN )) 1.80 0.00 1.81
assign ((segid B and resid 56 and name HB1 )) ((segid B and resid 56 and name HD1* )) 1.80 0.00 2.35
assign ((segid B and resid 56 and name HB1 )) ((segid B and resid 56 and name HD2* )) 1.80 0.00 2.35
assign ((segid B and resid 56 and name HB1 )) ((segid B and resid 57 and name HN )) 1.80 0.00 4.00
assign ((segid B and resid 56 and name HB2 )) ((segid B and resid 56 and name HD1* )) 1.80 0.00 2.35
assign ((segid B and resid 56 and name HB2 )) ((segid B and resid 56 and name HD2* )) 1.80 0.00 2.35
assign ((segid B and resid 56 and name HB2 )) ((segid B and resid 57 and name HN )) 1.80 0.00 4.00
assign ((segid B and resid 56 and name HD* )) ((segid B and resid 57 and name HN )) 1.80 0.00 4.18
assign ((segid B and resid 56 and name HN )) ((segid B and resid 56 and name HB* )) 1.80 0.00 1.95
assign ((segid B and resid 56 and name HN )) ((segid B and resid 56 and name HD* )) 1.80 0.00 2.26
assign ((segid B and resid 56 and name HN )) ((segid B and resid 56 and name HG )) 1.80 0.00 2.30
assign ((segid B and resid 56 and name HN )) ((segid B and resid 57 and name HN )) 1.80 0.00 3.13
assign ((segid B and resid 57 and name HA )) ((segid B and resid 57 and name HD1* )) 1.80 0.00 2.79
assign ((segid B and resid 57 and name HA )) ((segid B and resid 58 and name HN )) 1.80 0.00 2.00
assign ((segid B and resid 57 and name HB )) ((segid B and resid 57 and name HD1* )) 1.80 0.00 1.87
assign ((segid B and resid 57 and name HB )) ((segid B and resid 58 and name HN )) 1.80 0.00 4.01
assign ((segid B and resid 57 and name HD1* )) ((segid B and resid 58 and name HN )) 1.80 0.00 3.69
assign ((segid B and resid 57 and name HG2* )) ((segid B and resid 57 and name HD1* )) 1.80 0.00 1.25
assign ((segid B and resid 57 and name HG2* )) ((segid B and resid 57 and name HG1* )) 1.80 0.00 1.45
assign ((segid B and resid 57 and name HG2* )) ((segid B and resid 58 and name HN )) 1.80 0.00 2.62
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 HD1* )) 1.80 0.00 2.33
assign ((segid B and resid 57 and name HN )) ((segid B and resid 57 and name HG1* )) 1.80 0.00 2.43
assign ((segid B and resid 57 and name HN )) ((segid B and resid 57 and name HG2* )) 1.80 0.00 2.38
assign ((segid B and resid 58 and name HA )) ((segid B and resid 59 and name HN )) 1.80 0.00 2.00
assign ((segid B and resid 58 and name HB1 )) ((segid B and resid 59 and name HN )) 1.80 0.00 2.29
assign ((segid B and resid 58 and name HB2 )) ((segid B and resid 59 and name HB* )) 1.80 0.00 3.23
assign ((segid B and resid 58 and name HB2 )) ((segid B and resid 59 and name HN )) 1.80 0.00 2.29
assign ((segid B and resid 58 and name HN )) ((segid B and resid 59 and name HN )) 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 1.80
assign ((segid B and resid 59 and name HB* )) ((segid B and resid 60 and name HN )) 1.80 0.00 1.89
assign ((segid B and resid 59 and name HN )) ((segid B and resid 59 and name HB* )) 1.80 0.00 1.53
assign ((segid B and resid 59 and name HN )) ((segid B and resid 60 and name HN )) 1.80 0.00 3.07
assign ((segid B and resid 60 and name HA )) ((segid B and resid 60 and name HD1* )) 1.80 0.00 2.40
assign ((segid B and resid 60 and name HA )) ((segid B and resid 60 and name HD2* )) 1.80 0.00 1.86
assign ((segid B and resid 60 and name HA )) ((segid B and resid 61 and name HN )) 1.80 0.00 1.26
assign ((segid B and resid 60 and name HB1 )) ((segid B and resid 60 and name HD1* )) 1.80 0.00 2.04
assign ((segid B and resid 60 and name HB1 )) ((segid B and resid 60 and name HD2* )) 1.80 0.00 2.37
assign ((segid B and resid 60 and name HB1 )) ((segid B and resid 61 and name HN )) 1.80 0.00 3.22
assign ((segid B and resid 60 and name HB2 )) ((segid B and resid 60 and name HD1* )) 1.80 0.00 2.04
assign ((segid B and resid 60 and name HB2 )) ((segid B and resid 60 and name HD2* )) 1.80 0.00 2.37
assign ((segid B and resid 60 and name HB2 )) ((segid B and resid 61 and name HN )) 1.80 0.00 3.22
assign ((segid B and resid 60 and name HG )) ((segid B and resid 61 and name HN )) 1.80 0.00 4.25
assign ((segid B and resid 60 and name HN )) ((segid B and resid 60 and name HD2* )) 1.80 0.00 2.40
assign ((segid B and resid 61 and name HA )) ((segid B and resid 61 and name HG1* )) 1.80 0.00 1.48
assign ((segid B and resid 61 and name HA )) ((segid B and resid 61 and name HG2* )) 1.80 0.00 1.73
assign ((segid B and resid 61 and name HA )) ((segid B and resid 62 and name HN )) 1.80 0.00 1.43
assign ((segid B and resid 61 and name HB )) ((segid B and resid 62 and name HN )) 1.80 0.00 3.29
assign ((segid B and resid 61 and name HG1* )) ((segid B and resid 62 and name HN )) 1.80 0.00 1.75
assign ((segid B and resid 61 and name HN )) ((segid B and resid 61 and name HB )) 1.80 0.00 1.87
assign ((segid B and resid 61 and name HN )) ((segid B and resid 61 and name HG2* )) 1.80 0.00 1.35
assign ((segid B and resid 62 and name HA )) ((segid B and resid 62 and name HD* )) 1.80 0.00 2.46
assign ((segid B and resid 63 and name HA )) ((segid B and resid 64 and name HN )) 1.80 0.00 1.65
assign ((segid B and resid 63 and name HB1 )) ((segid B and resid 64 and name HN )) 1.80 0.00 2.50
assign ((segid B and resid 63 and name HB2 )) ((segid B and resid 64 and name HN )) 1.80 0.00 2.50
assign ((segid B and resid 63 and name HG* )) ((segid B and resid 64 and name HN )) 1.80 0.00 3.85
assign ((segid B and resid 64 and name HA )) ((segid B and resid 64 and name HD1* )) 1.80 0.00 2.40
assign ((segid B and resid 64 and name HA )) ((segid B and resid 64 and name HD2* )) 1.80 0.00 2.16
assign ((segid B and resid 64 and name HA )) ((segid B and resid 65 and name HN )) 1.80 0.00 1.94
assign ((segid B and resid 64 and name HB* )) ((segid B and resid 64 and name HD1* )) 1.80 0.00 1.36
assign ((segid B and resid 64 and name HB* )) ((segid B and resid 64 and name HD2* )) 1.80 0.00 1.51
assign ((segid B and resid 64 and name HB1 )) ((segid B and resid 65 and name HN )) 1.80 0.00 3.15
assign ((segid B and resid 64 and name HB2 )) ((segid B and resid 65 and name HN )) 1.80 0.00 3.15
assign ((segid B and resid 64 and name HD2* )) ((segid B and resid 65 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 64 and name HN )) ((segid B and resid 64 and name HD1* )) 1.80 0.00 2.90
assign ((segid B and resid 64 and name HN )) ((segid B and resid 64 and name HD2* )) 1.80 0.00 3.20
assign ((segid B and resid 64 and name HN )) ((segid B and resid 64 and name HG )) 1.80 0.00 3.20
assign ((segid B and resid 64 and name HN )) ((segid B and resid 65 and name HN )) 1.80 0.00 3.00
assign ((segid B and resid 65 and name HA )) ((segid B and resid 65 and name HG* )) 1.80 0.00 1.53
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 HB* )) ((segid B and resid 66 and name HN )) 1.80 0.00 2.20
assign ((segid B and resid 65 and name HG* )) ((segid B and resid 66 and name HN )) 1.80 0.00 2.93
assign ((segid B and resid 65 and name HN )) ((segid B and resid 65 and name HB* )) 1.80 0.00 1.50
assign ((segid B and resid 65 and name HN )) ((segid B and resid 65 and name HG* )) 1.80 0.00 2.80
assign ((segid B and resid 70 and name HA )) ((segid B and resid 71 and name HN )) 1.80 0.00 1.60
assign ((segid B and resid 70 and name HB* )) ((segid B and resid 71 and name HN )) 1.80 0.00 2.10
assign ((segid A and resid 3 and name HA )) ((segid B and resid 28 and name HD1* )) 1.80 0.00 1.61
assign ((segid A and resid 3 and name HA )) ((segid B and resid 28 and name HG2* )) 1.80 0.00 1.99
assign ((segid A and resid 3 and name HB* )) ((segid B and resid 28 and name HD1* )) 1.80 0.00 3.07
assign ((segid A and resid 3 and name HB1 )) ((segid B and resid 28 and name HG2* )) 1.80 0.00 3.99
assign ((segid A and resid 3 and name HB2 )) ((segid B and resid 28 and name HG2* )) 1.80 0.00 3.99
assign ((segid A and resid 3 and name HD21 )) ((segid B and resid 28 and name HD1* )) 1.80 0.00 3.51
assign ((segid A and resid 3 and name HN )) ((segid B and resid 28 and name HD1* )) 1.80 0.00 2.57
assign ((segid A and resid 4 and name HN )) ((segid B and resid 28 and name HD1* )) 1.80 0.00 3.58
assign ((segid A and resid 5 and name HA )) ((segid B and resid 10 and name HG2* )) 1.80 0.00 2.83
assign ((segid A and resid 5 and name HB* )) ((segid B and resid 9 and name HD1* )) 1.80 0.00 2.67
assign ((segid A and resid 5 and name HB* )) ((segid B and resid 10 and name HN )) 1.80 0.00 3.16
assign ((segid A and resid 5 and name HE2* )) ((segid B and resid 9 and name HD1* )) 1.80 0.00 3.49
assign ((segid A and resid 5 and name HE2* )) ((segid B and resid 9 and name HD2* )) 1.80 0.00 2.82
assign ((segid A and resid 5 and name HE2* )) ((segid B and resid 10 and name HN )) 1.80 0.00 3.82
assign ((segid A and resid 5 and name HE2* )) ((segid B and resid 27 and name HG2* )) 1.80 0.00 2.55
assign ((segid A and resid 5 and name HE2* )) ((segid B and resid 28 and name HD1* )) 1.80 0.00 3.09
assign ((segid A and resid 5 and name HE2* )) ((segid B and resid 28 and name HG11 )) 1.80 0.00 3.23
assign ((segid A and resid 5 and name HE2* )) ((segid B and resid 28 and name HG12 )) 1.80 0.00 3.23
assign ((segid A and resid 5 and name HE21 )) ((segid B and resid 9 and name HD2* )) 1.80 0.00 3.61
assign ((segid A and resid 5 and name HE21 )) ((segid B and resid 27 and name HG2* )) 1.80 0.00 3.49
assign ((segid A and resid 5 and name HE21 )) ((segid B and resid 28 and name HG11 )) 1.80 0.00 3.91
assign ((segid A and resid 5 and name HE21 )) ((segid B and resid 28 and name HG12 )) 1.80 0.00 3.91
assign ((segid A and resid 5 and name HE22 )) ((segid B and resid 9 and name HD2* )) 1.80 0.00 3.61
assign ((segid A and resid 5 and name HE22 )) ((segid B and resid 27 and name HG2* )) 1.80 0.00 3.49
assign ((segid A and resid 5 and name HE22 )) ((segid B and resid 28 and name HG11 )) 1.80 0.00 3.91
assign ((segid A and resid 5 and name HE22 )) ((segid B and resid 28 and name HG12 )) 1.80 0.00 3.91
assign ((segid A and resid 5 and name HG* )) ((segid B and resid 10 and name HN )) 1.80 0.00 3.50
assign ((segid A and resid 5 and name HG* )) ((segid B and resid 11 and name HA* )) 1.80 0.00 3.21
assign ((segid A and resid 5 and name HG* )) ((segid B and resid 28 and name HD1* )) 1.80 0.00 2.27
assign ((segid A and resid 6 and name HB* )) ((segid B and resid 10 and name HG2* )) 1.80 0.00 1.71
assign ((segid A and resid 6 and name HD* )) ((segid B and resid 10 and name HB )) 1.80 0.00 2.41
assign ((segid A and resid 6 and name HD* )) ((segid B and resid 10 and name HG2* )) 1.80 0.00 1.87
assign ((segid A and resid 6 and name HE* )) ((segid B and resid 10 and name HB )) 1.80 0.00 3.05
assign ((segid A and resid 6 and name HE* )) ((segid B and resid 10 and name HG2* )) 1.80 0.00 2.69
assign ((segid A and resid 6 and name HN )) ((segid B and resid 9 and name HA )) 1.80 0.00 3.52
assign ((segid A and resid 6 and name HN )) ((segid B and resid 9 and name HD1* )) 1.80 0.00 3.69
assign ((segid A and resid 6 and name HN )) ((segid B and resid 10 and name HG2* )) 1.80 0.00 2.18
assign ((segid A and resid 6 and name HN )) ((segid B and resid 10 and name HN )) 1.80 0.00 2.46
assign ((segid A and resid 7 and name HA )) ((segid B and resid 9 and name HD1* )) 1.80 0.00 1.89
assign ((segid A and resid 7 and name HB* )) ((segid B and resid 9 and name HD1* )) 1.80 0.00 2.36
assign ((segid A and resid 7 and name HD1* )) ((segid B and resid 8 and name HN )) 1.80 0.00 3.19
assign ((segid A and resid 8 and name HB* )) ((segid B and resid 8 and name HN )) 1.80 0.00 2.48
assign ((segid A and resid 8 and name HN )) ((segid B and resid 7 and name HD1* )) 1.80 0.00 3.19
assign ((segid A and resid 8 and name HN )) ((segid B and resid 8 and name HB* )) 1.80 0.00 2.48
assign ((segid A and resid 8 and name HN )) ((segid B and resid 9 and name HD1* )) 1.80 0.00 3.53
assign ((segid A and resid 9 and name HA )) ((segid B and resid 6 and name HN )) 1.80 0.00 3.52
assign ((segid A and resid 9 and name HA )) ((segid B and resid 57 and name HD1* )) 1.80 0.00 3.71
assign ((segid A and resid 9 and name HD1* )) ((segid B and resid 5 and name HB* )) 1.80 0.00 2.67
assign ((segid A and resid 9 and name HD1* )) ((segid B and resid 5 and name HE2* )) 1.80 0.00 3.49
assign ((segid A and resid 9 and name HD1* )) ((segid B and resid 6 and name HN )) 1.80 0.00 3.69
assign ((segid A and resid 9 and name HD1* )) ((segid B and resid 7 and name HA )) 1.80 0.00 1.89
assign ((segid A and resid 9 and name HD1* )) ((segid B and resid 7 and name HB* )) 1.80 0.00 2.36
assign ((segid A and resid 9 and name HD1* )) ((segid B and resid 7 and name HN )) 1.80 0.00 3.55
assign ((segid A and resid 9 and name HD1* )) ((segid B and resid 8 and name HN )) 1.80 0.00 3.53
assign ((segid A and resid 9 and name HD2* )) ((segid B and resid 5 and name HE2* )) 1.80 0.00 2.82
assign ((segid A and resid 9 and name HD2* )) ((segid B and resid 5 and name HE21 )) 1.80 0.00 3.61
assign ((segid A and resid 9 and name HD2* )) ((segid B and resid 5 and name HE22 )) 1.80 0.00 3.61
assign ((segid A and resid 10 and name HB )) ((segid B and resid 6 and name HD* )) 1.80 0.00 2.41
assign ((segid A and resid 10 and name HB )) ((segid B and resid 6 and name HE* )) 1.80 0.00 3.05
assign ((segid A and resid 10 and name HG2* )) ((segid B and resid 5 and name HA )) 1.80 0.00 2.83
assign ((segid A and resid 10 and name HG2* )) ((segid B and resid 6 and name HB* )) 1.80 0.00 1.71
assign ((segid A and resid 10 and name HG2* )) ((segid B and resid 6 and name HD* )) 1.80 0.00 1.87
assign ((segid A and resid 10 and name HG2* )) ((segid B and resid 6 and name HE* )) 1.80 0.00 2.69
assign ((segid A and resid 10 and name HG2* )) ((segid B and resid 6 and name HN )) 1.80 0.00 2.18
assign ((segid A and resid 10 and name HN )) ((segid B and resid 5 and name HB* )) 1.80 0.00 3.16
assign ((segid A and resid 10 and name HN )) ((segid B and resid 5 and name HE2* )) 1.80 0.00 3.82
assign ((segid A and resid 10 and name HN )) ((segid B and resid 5 and name HG* )) 1.80 0.00 3.50
assign ((segid A and resid 10 and name HN )) ((segid B and resid 6 and name HN )) 1.80 0.00 2.46
assign ((segid A and resid 10 and name HN )) ((segid B and resid 57 and name HD1* )) 1.80 0.00 3.98
assign ((segid A and resid 11 and name HA* )) ((segid B and resid 5 and name HG* )) 1.80 0.00 3.21
assign ((segid A and resid 27 and name HG2* )) ((segid B and resid 5 and name HE2* )) 1.80 0.00 2.55
assign ((segid A and resid 27 and name HG2* )) ((segid B and resid 5 and name HE21 )) 1.80 0.00 3.49
assign ((segid A and resid 27 and name HG2* )) ((segid B and resid 5 and name HE22 )) 1.80 0.00 3.49
assign ((segid A and resid 28 and name HD1* )) ((segid B and resid 3 and name HA )) 1.80 0.00 1.61
assign ((segid A and resid 28 and name HD1* )) ((segid B and resid 3 and name HB* )) 1.80 0.00 3.07
assign ((segid A and resid 28 and name HD1* )) ((segid B and resid 3 and name HD21 )) 1.80 0.00 3.51
assign ((segid A and resid 28 and name HD1* )) ((segid B and resid 3 and name HN )) 1.80 0.00 2.57
assign ((segid A and resid 28 and name HD1* )) ((segid B and resid 4 and name HN )) 1.80 0.00 3.58
assign ((segid A and resid 28 and name HD1* )) ((segid B and resid 5 and name HE2* )) 1.80 0.00 3.09
assign ((segid A and resid 28 and name HD1* )) ((segid B and resid 5 and name HG* )) 1.80 0.00 2.27
assign ((segid A and resid 28 and name HG11 )) ((segid B and resid 5 and name HE2* )) 1.80 0.00 3.23
assign ((segid A and resid 28 and name HG11 )) ((segid B and resid 5 and name HE21 )) 1.80 0.00 3.91
assign ((segid A and resid 28 and name HG11 )) ((segid B and resid 5 and name HE22 )) 1.80 0.00 3.91
assign ((segid A and resid 28 and name HG12 )) ((segid B and resid 5 and name HE2* )) 1.80 0.00 3.23
assign ((segid A and resid 28 and name HG12 )) ((segid B and resid 5 and name HE21 )) 1.80 0.00 3.91
assign ((segid A and resid 28 and name HG12 )) ((segid B and resid 5 and name HE22 )) 1.80 0.00 3.91
assign ((segid A and resid 28 and name HG2* )) ((segid B and resid 3 and name HA )) 1.80 0.00 1.99
assign ((segid A and resid 28 and name HG2* )) ((segid B and resid 3 and name HB1 )) 1.80 0.00 3.99
assign ((segid A and resid 28 and name HG2* )) ((segid B and resid 3 and name HB2 )) 1.80 0.00 3.99
assign ((segid A and resid 32 and name HD1* )) ((segid B and resid 60 and name HN )) 1.80 0.00 3.81
assign ((segid A and resid 57 and name HD1* )) ((segid B and resid 9 and name HA )) 1.80 0.00 3.71
assign ((segid A and resid 57 and name HD1* )) ((segid B and resid 10 and name HN )) 1.80 0.00 3.98
assign ((segid A and resid 59 and name HB* )) ((segid B and resid 62 and name HB* )) 1.80 0.00 3.90
assign ((segid A and resid 59 and name HB* )) ((segid B and resid 62 and name HD1 )) 1.80 0.00 3.93
assign ((segid A and resid 59 and name HB* )) ((segid B and resid 62 and name HD2 )) 1.80 0.00 3.93
assign ((segid A and resid 59 and name HB* )) ((segid B and resid 62 and name HN )) 1.80 0.00 3.29
assign ((segid A and resid 60 and name HB* )) ((segid B and resid 62 and name HD* )) 1.80 0.00 2.43
assign ((segid A and resid 60 and name HB1 )) ((segid B and resid 62 and name HN )) 1.80 0.00 3.83
assign ((segid A and resid 60 and name HB2 )) ((segid B and resid 62 and name HN )) 1.80 0.00 3.83
assign ((segid A and resid 60 and name HD2* )) ((segid B and resid 62 and name HB1 )) 1.80 0.00 3.48
assign ((segid A and resid 60 and name HD2* )) ((segid B and resid 62 and name HB2 )) 1.80 0.00 3.48
assign ((segid A and resid 60 and name HD2* )) ((segid B and resid 62 and name HD* )) 1.80 0.00 3.25
assign ((segid A and resid 60 and name HG )) ((segid B and resid 62 and name HB1 )) 1.80 0.00 3.78
assign ((segid A and resid 60 and name HG )) ((segid B and resid 62 and name HB2 )) 1.80 0.00 3.78
assign ((segid A and resid 60 and name HG )) ((segid B and resid 62 and name HD* )) 1.80 0.00 2.83
assign ((segid A and resid 60 and name HN )) ((segid B and resid 32 and name HD1* )) 1.80 0.00 3.81
assign ((segid A and resid 60 and name HN )) ((segid B and resid 62 and name HB1 )) 1.80 0.00 2.86
assign ((segid A and resid 60 and name HN )) ((segid B and resid 62 and name HB2 )) 1.80 0.00 2.86
assign ((segid A and resid 60 and name HN )) ((segid B and resid 62 and name HD* )) 1.80 0.00 2.63
assign ((segid A and resid 60 and name HN )) ((segid B and resid 62 and name HN )) 1.80 0.00 2.39
assign ((segid A and resid 62 and name HB* )) ((segid B and resid 59 and name HB* )) 1.80 0.00 3.90
assign ((segid A and resid 62 and name HB1 )) ((segid B and resid 60 and name HD2* )) 1.80 0.00 3.48
assign ((segid A and resid 62 and name HB1 )) ((segid B and resid 60 and name HN )) 1.80 0.00 2.86
assign ((segid A and resid 62 and name HB2 )) ((segid B and resid 60 and name HD2* )) 1.80 0.00 3.48
assign ((segid A and resid 62 and name HB2 )) ((segid B and resid 60 and name HN )) 1.80 0.00 2.86
assign ((segid A and resid 62 and name HD* )) ((segid B and resid 60 and name HB* )) 1.80 0.00 2.43
assign ((segid A and resid 62 and name HD* )) ((segid B and resid 60 and name HD2* )) 1.80 0.00 3.25
assign ((segid A and resid 62 and name HD* )) ((segid B and resid 60 and name HG )) 1.80 0.00 2.83
assign ((segid A and resid 62 and name HD* )) ((segid B and resid 60 and name HN )) 1.80 0.00 2.63
assign ((segid A and resid 62 and name HD1 )) ((segid B and resid 59 and name HB* )) 1.80 0.00 3.93
assign ((segid A and resid 62 and name HD2 )) ((segid B and resid 59 and name HB* )) 1.80 0.00 3.93
assign ((segid A and resid 62 and name HN )) ((segid B and resid 59 and name HB* )) 1.80 0.00 3.29
assign ((segid A and resid 62 and name HN )) ((segid B and resid 60 and name HB1 )) 1.80 0.00 3.83
assign ((segid A and resid 62 and name HN )) ((segid B and resid 60 and name HB2 )) 1.80 0.00 3.83
assign ((segid A and resid 62 and name HN )) ((segid B and resid 60 and name HN )) 1.80 0.00 2.39
list of removed NOE constraints
1770-> ASN B 3 HA - ILE A 28 HD1* 1.80 3.41 # Duplicated (1718)
1771-> ASN B 3 HA - ILE A 28 HG2* 1.80 3.79 # Duplicated (1731)
1772-> ASN B 3 HB* - ILE A 28 HD1* 1.80 4.87 # Duplicated (1719)
1773-> ASN B 3 HB1 - ILE A 28 HG2* 1.80 5.79 # Duplicated (1732)
1774-> ASN B 3 HB2 - ILE A 28 HG2* 1.80 5.79 # Duplicated (1733)
1775-> ASN B 3 HD21 - ILE A 28 HD1* 1.80 5.31 # Duplicated (1720)
1776-> ASN B 3 HN - ILE A 28 HD1* 1.80 4.37 # Duplicated (1721)
1777-> ARG B 4 HN - ILE A 28 HD1* 1.80 5.38 # Duplicated (1722)
1778-> GLN B 5 HA - THR A 10 HG2* 1.80 4.63 # Duplicated (1704)
1779-> GLN B 5 HB* - LEU A 9 HD1* 1.80 4.47 # Duplicated (1692)
1780-> GLN B 5 HB* - THR A 10 HN 1.80 4.96 # Duplicated (1709)
1781-> GLN B 5 HE2* - LEU A 9 HD1* 1.80 5.29 # Duplicated (1693)
1782-> GLN B 5 HE2* - LEU A 9 HD2* 1.80 4.62 # Duplicated (1699)
1783-> GLN B 5 HE2* - THR A 10 HN 1.80 5.62 # Duplicated (1710)
1784-> GLN B 5 HE2* - THR A 27 HG2* 1.80 4.35 # Duplicated (1715)
1785-> GLN B 5 HE2* - ILE A 28 HD1* 1.80 4.89 # Duplicated (1723)
1786-> GLN B 5 HE2* - ILE A 28 HG11 1.80 5.03 # Duplicated (1725)
1787-> GLN B 5 HE2* - ILE A 28 HG12 1.80 5.03 # Duplicated (1728)
1788-> GLN B 5 HE21 - LEU A 9 HD2* 1.80 5.41 # Duplicated (1700)
1789-> GLN B 5 HE21 - THR A 27 HG2* 1.80 5.29 # Duplicated (1716)
1790-> GLN B 5 HE21 - ILE A 28 HG11 1.80 5.71 # Duplicated (1726)
1791-> GLN B 5 HE21 - ILE A 28 HG12 1.80 5.71 # Duplicated (1729)
1792-> GLN B 5 HE22 - LEU A 9 HD2* 1.80 5.41 # Duplicated (1701)
1793-> GLN B 5 HE22 - THR A 27 HG2* 1.80 5.29 # Duplicated (1717)
1794-> GLN B 5 HE22 - ILE A 28 HG11 1.80 5.71 # Duplicated (1727)
1795-> GLN B 5 HE22 - ILE A 28 HG12 1.80 5.71 # Duplicated (1730)
1796-> GLN B 5 HG* - THR A 10 HN 1.80 5.30 # Duplicated (1711)
1797-> GLN B 5 HG* - GLY A 11 HA* 1.80 5.01 # Duplicated (1714)
1798-> GLN B 5 HG* - ILE A 28 HD1* 1.80 4.07 # Duplicated (1724)
1799-> PHE B 6 HB* - THR A 10 HG2* 1.80 3.51 # Duplicated (1705)
1800-> PHE B 6 HD* - THR A 10 HB 1.80 4.21 # Duplicated (1702)
1801-> PHE B 6 HD* - THR A 10 HG2* 1.80 4.00 # Same atoms-diff bounds (1706)
1802-> PHE B 6 HE* - THR A 10 HB 1.80 4.85 # Duplicated (1703)
1803-> PHE B 6 HE* - THR A 10 HG2* 1.80 4.49 # Duplicated (1707)
1804-> PHE B 6 HN - LEU A 9 HA 1.80 5.32 # Duplicated (1690)
1805-> PHE B 6 HN - LEU A 9 HD1* 1.80 5.49 # Duplicated (1694)
1806-> PHE B 6 HN - THR A 10 HG2* 1.80 3.98 # Duplicated (1708)
1807-> PHE B 6 HN - THR A 10 HN 1.80 4.26 # Duplicated (1712)
1808-> LEU B 7 HA - LEU A 9 HD1* 1.80 3.69 # Duplicated (1695)
1809-> LEU B 7 HB* - LEU A 9 HD1* 1.80 4.16 # Duplicated (1696)
1810-> LEU B 7 HD1* - SER A 8 HN 1.80 4.99 # Duplicated (1687)
1811-> LEU B 7 HN - LEU A 9 HD1* 1.80 5.35 # Duplicated (1697)
1812-> SER B 8 HB* - SER A 8 HN 1.80 4.28 # Duplicated (1688)
1813-> SER B 8 HN - LEU A 7 HD1* 1.80 4.99 # Duplicated (1685)
1814-> SER B 8 HN - SER A 8 HB* 1.80 4.28 # Duplicated (1686)
1815-> SER B 8 HN - LEU A 9 HD1* 1.80 5.33 # Duplicated (1698)
1816-> LEU B 9 HA - PHE A 6 HN 1.80 5.32 # Duplicated (1679)
1817-> LEU B 9 HA - ILE A 57 HD1* 1.80 5.51 # Duplicated (1735)
1818-> LEU B 9 HD1* - GLN A 5 HB* 1.80 4.47 # Duplicated (1654)
1819-> LEU B 9 HD1* - GLN A 5 HE2* 1.80 5.29 # Duplicated (1656)
1820-> LEU B 9 HD1* - PHE A 6 HN 1.80 5.49 # Duplicated (1680)
1821-> LEU B 9 HD1* - LEU A 7 HA 1.80 3.69 # Duplicated (1683)
1822-> LEU B 9 HD1* - LEU A 7 HB* 1.80 4.16 # Duplicated (1684)
1823-> LEU B 9 HD1* - SER A 8 HN 1.80 5.33 # Duplicated (1689)
1824-> LEU B 9 HD2* - GLN A 5 HE2* 1.80 4.62 # Duplicated (1657)
1825-> LEU B 9 HD2* - GLN A 5 HE21 1.80 5.41 # Duplicated (1663)
1826-> LEU B 9 HD2* - GLN A 5 HE22 1.80 5.41 # Duplicated (1667)
1827-> THR B 10 HB - PHE A 6 HD* 1.80 4.21 # Duplicated (1675)
1828-> THR B 10 HB - PHE A 6 HE* 1.80 4.85 # Duplicated (1677)
1829-> THR B 10 HG2* - GLN A 5 HA 1.80 4.63 # Duplicated (1653)
1830-> THR B 10 HG2* - PHE A 6 HB* 1.80 3.51 # Duplicated (1674)
1831-> THR B 10 HG2* - PHE A 6 HD* 1.80 3.67 # Duplicated (1676)
1832-> THR B 10 HG2* - PHE A 6 HE* 1.80 4.49 # Duplicated (1678)
1833-> THR B 10 HG2* - PHE A 6 HN 1.80 3.98 # Duplicated (1681)
1834-> THR B 10 HN - GLN A 5 HB* 1.80 4.96 # Duplicated (1655)
1835-> THR B 10 HN - GLN A 5 HE2* 1.80 5.62 # Duplicated (1658)
1836-> THR B 10 HN - GLN A 5 HG* 1.80 5.30 # Duplicated (1671)
1837-> THR B 10 HN - PHE A 6 HN 1.80 4.26 # Duplicated (1682)
1838-> THR B 10 HN - ILE A 57 HD1* 1.80 5.78 # Duplicated (1736)
1839-> GLY B 11 HA* - GLN A 5 HG* 1.80 5.01 # Duplicated (1672)
1840-> THR B 27 HG2* - GLN A 5 HE2* 1.80 4.35 # Duplicated (1659)
1841-> THR B 27 HG2* - GLN A 5 HE21 1.80 5.29 # Duplicated (1664)
1842-> THR B 27 HG2* - GLN A 5 HE22 1.80 5.29 # Duplicated (1668)
1843-> ILE B 28 HD1* - ASN A 3 HA 1.80 3.41 # Duplicated (1645)
1844-> ILE B 28 HD1* - ASN A 3 HB* 1.80 4.87 # Duplicated (1647)
1845-> ILE B 28 HD1* - ASN A 3 HD21 1.80 5.31 # Duplicated (1650)
1846-> ILE B 28 HD1* - ASN A 3 HN 1.80 4.37 # Duplicated (1651)
1847-> ILE B 28 HD1* - ARG A 4 HN 1.80 5.38 # Duplicated (1652)
1848-> ILE B 28 HD1* - GLN A 5 HE2* 1.80 4.89 # Duplicated (1660)
1849-> ILE B 28 HD1* - GLN A 5 HG* 1.80 4.07 # Duplicated (1673)
1850-> ILE B 28 HG11 - GLN A 5 HE2* 1.80 5.03 # Duplicated (1661)
1851-> ILE B 28 HG11 - GLN A 5 HE21 1.80 5.71 # Duplicated (1665)
1852-> ILE B 28 HG11 - GLN A 5 HE22 1.80 5.71 # Duplicated (1669)
1853-> ILE B 28 HG12 - GLN A 5 HE2* 1.80 5.03 # Duplicated (1662)
1854-> ILE B 28 HG12 - GLN A 5 HE21 1.80 5.71 # Duplicated (1666)
1855-> ILE B 28 HG12 - GLN A 5 HE22 1.80 5.71 # Duplicated (1670)
1856-> ILE B 28 HG2* - ASN A 3 HA 1.80 3.79 # Duplicated (1646)
1857-> ILE B 28 HG2* - ASN A 3 HB1 1.80 5.79 # Duplicated (1648)
1858-> ILE B 28 HG2* - ASN A 3 HB2 1.80 5.79 # Duplicated (1649)
1859-> LEU B 32 HD1* - LEU A 60 HN 1.80 5.61 # Duplicated (1750)
1860-> ILE B 57 HD1* - LEU A 9 HA 1.80 5.51 # Duplicated (1691)
1861-> ILE B 57 HD1* - THR A 10 HN 1.80 5.78 # Duplicated (1713)
1862-> ALA B 59 HB* - TYR A 62 HB* 1.80 5.70 # Duplicated (1755)
1863-> ALA B 59 HB* - TYR A 62 HD1 1.80 5.73 # Duplicated (1764)
1864-> ALA B 59 HB* - TYR A 62 HD2 1.80 5.73 # Duplicated (1765)
1865-> ALA B 59 HB* - TYR A 62 HN 1.80 5.09 # Duplicated (1766)
1866-> LEU B 60 HB* - TYR A 62 HD* 1.80 4.23 # Duplicated (1760)
1867-> LEU B 60 HB1 - TYR A 62 HN 1.80 5.63 # Duplicated (1767)
1868-> LEU B 60 HB2 - TYR A 62 HN 1.80 5.63 # Duplicated (1768)
1869-> LEU B 60 HD2* - TYR A 62 HB1 1.80 5.28 # Duplicated (1756)
1870-> LEU B 60 HD2* - TYR A 62 HB2 1.80 5.28 # Duplicated (1758)
1871-> LEU B 60 HD2* - TYR A 62 HD* 1.80 5.05 # Duplicated (1761)
1872-> LEU B 60 HG - TYR A 62 HD* 1.80 4.63 # Duplicated (1762)
1873-> LEU B 60 HN - LEU A 32 HD1* 1.80 5.61 # Duplicated (1734)
1874-> LEU B 60 HN - TYR A 62 HB1 1.80 4.66 # Duplicated (1757)
1875-> LEU B 60 HN - TYR A 62 HB2 1.80 4.66 # Duplicated (1759)
1876-> LEU B 60 HN - TYR A 62 HD* 1.80 4.43 # Duplicated (1763)
1877-> LEU B 60 HN - TYR A 62 HN 1.80 4.19 # Duplicated (1769)
1878-> TYR B 62 HB* - ALA A 59 HB* 1.80 5.70 # Duplicated (1737)
1879-> TYR B 62 HB1 - LEU A 60 HD2* 1.80 5.28 # Duplicated (1744)
1880-> TYR B 62 HB1 - LEU A 60 HG 1.80 5.58 # Duplicated (1747)
1881-> TYR B 62 HB1 - LEU A 60 HN 1.80 4.66 # Duplicated (1751)
1882-> TYR B 62 HB2 - LEU A 60 HD2* 1.80 5.28 # Duplicated (1745)
1883-> TYR B 62 HB2 - LEU A 60 HG 1.80 5.58 # Duplicated (1748)
1884-> TYR B 62 HB2 - LEU A 60 HN 1.80 4.66 # Duplicated (1752)
1885-> TYR B 62 HD* - LEU A 60 HB* 1.80 4.23 # Duplicated (1741)
1886-> TYR B 62 HD* - LEU A 60 HD2* 1.80 5.05 # Duplicated (1746)
1887-> TYR B 62 HD* - LEU A 60 HG 1.80 4.63 # Duplicated (1749)
1888-> TYR B 62 HD* - LEU A 60 HN 1.80 4.43 # Duplicated (1753)
1889-> TYR B 62 HD1 - ALA A 59 HB* 1.80 5.73 # Duplicated (1738)
1890-> TYR B 62 HD2 - ALA A 59 HB* 1.80 5.73 # Duplicated (1739)
1891-> TYR B 62 HN - ALA A 59 HB* 1.80 5.09 # Duplicated (1740)
1892-> TYR B 62 HN - LEU A 60 HB1 1.80 5.63 # Duplicated (1742)
1893-> TYR B 62 HN - LEU A 60 HB2 1.80 5.63 # Duplicated (1743)
1894-> TYR B 62 HN - LEU A 60 HN 1.80 4.19 # Duplicated (1754)
====== TOTAL ======: 125
table of distance constraints violations
Residual Violations greater than 0.10
20-> ASN A 3 HD22 - LEU A 56 HD* [ 1.80 4.98] 0.05 0.00 0.00 0.03 0.04 0.00 0.00 0.01 0.15 0.00 0.01 0.00 0.00 0.00 0.11 0.05 0.02 0.00 0.00 0.00 - 10 [ 0.00 .. 0.15]
23-> ASN A 3 HN - ARG A 4 HN [ 1.80 4.80] 0.00 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 - 3 [ 0.07 .. 0.16]
37-> ARG A 4 HB3 - ARG A 4 HE [ 1.80 4.54] 0.00 0.10 0.00 0.10 0.11 0.12 0.00 0.00 0.01 0.10 0.00 0.00 0.09 0.14 0.08 0.10 0.10 0.00 0.07 0.00 - 12 [ 0.01 .. 0.14]
39-> ARG A 4 HB3 - LEU A 56 HA [ 1.80 5.22] 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.16 0.00 - 3 [ 0.03 .. 0.16]
50-> ARG A 4 HE - LEU A 56 HD* [ 1.80 3.98] 0.03 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.07 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 - 5 [ 0.03 .. 0.11]
51-> ARG A 4 HE - LEU A 56 HD1* [ 1.80 5.00] 0.05 0.00 0.10 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.03 0.04 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 - 6 [ 0.02 .. 0.10]
76-> GLN A 5 HN - ILE A 57 HG2* [ 1.80 4.97] 0.00 0.16 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.14 .. 0.65]
143-> LEU A 9 HD1* - LEU A 32 HD1* [ 1.80 4.71] 0.01 0.04 0.05 0.08 0.02 0.00 0.00 0.11 0.08 0.02 0.00 0.04 0.02 0.03 0.00 0.00 0.08 0.03 0.00 0.03 - 15 [ 0.00 .. 0.11]
149-> LEU A 9 HD2* - VAL A 51 HG1* [ 1.80 5.00] 0.03 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.08 0.00 0.12 0.03 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.06 - 7 [ 0.03 .. 0.12]
170-> THR A 10 HG2* - VAL A 51 HN [ 1.80 4.93] 0.00 0.00 0.00 0.00 0.17 0.09 0.00 0.00 0.00 0.02 0.00 0.00 0.11 0.00 0.19 0.00 0.00 0.12 0.11 0.00 - 7 [ 0.02 .. 0.19]
199-> SER A 13 HA - LEU A 46 HD2* [ 1.80 4.80] 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 - 3 [ 0.02 .. 0.12]
203-> SER A 13 HB* - LEU A 46 HD1* [ 1.80 5.61] 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 0.00 0.00 0.00 - 1 [ 0.11 .. 0.11]
216-> LYS A 14 HA - LEU A 46 HD1* [ 1.80 3.71] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 - 1 [ 0.13 .. 0.13]
286-> GLN A 16 HN - VAL A 31 HG1* [ 1.80 4.80] 0.00 0.08 0.10 0.05 0.08 0.09 0.07 0.00 0.00 0.06 0.12 0.10 0.03 0.01 0.01 0.02 0.04 0.06 0.06 0.06 - 17 [ 0.01 .. 0.12]
340-> LYS A 21 HE* - LYS A 38 HN [ 1.80 5.48] 0.06 0.00 0.09 0.00 0.04 0.04 0.04 0.07 0.00 0.00 0.04 0.00 0.05 0.05 0.09 0.07 0.00 0.04 0.12 0.01 - 14 [ 0.01 .. 0.12]
369-> GLU A 22 HN - LEU A 39 HD2* [ 1.80 3.65] 0.00 0.07 0.04 0.04 0.04 0.04 0.00 0.06 0.14 0.04 0.00 0.03 0.06 0.00 0.04 0.02 0.03 0.03 0.04 0.04 - 17 [ 0.00 .. 0.14]
490-> ILE A 28 HN - ILE A 28 HD1* [ 1.80 3.73] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.29 .. 0.29]
495-> GLN A 29 HG* - GLY A 30 HN [ 1.80 4.80] 0.00 0.16 0.00 0.05 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.03 0.12 0.00 0.04 0.21 0.14 0.00 0.00 0.12 - 9 [ 0.03 .. 0.21]
527-> LEU A 32 HD1* - TYR A 62 HB3 [ 1.80 4.80] 0.00 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.16 .. 0.16]
662-> LEU A 39 HA - ILE A 57 HG2* [ 1.80 5.00] 0.00 0.84 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.51 .. 0.84]
689-> LEU A 46 HN - LEU A 46 HD2* [ 1.80 4.92] 0.12 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.09 .. 0.12]
696-> LYS A 47 HD* - ALA A 48 HN [ 1.80 4.80] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 - 2 [ 0.01 .. 0.24]
699-> LYS A 47 HG2 - ALA A 48 HN [ 1.80 4.87] 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 0.12 0.05 0.00 0.00 0.05 0.22 0.00 - 5 [ 0.05 .. 0.22]
810-> LEU A 64 HD2* - GLU A 65 HN [ 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 0.10 0.00 0.00 0.00 0.00 0.00 0.18 0.00 - 2 [ 0.10 .. 0.18]
817-> GLU A 65 HB* - HIS A 66 HN [ 1.80 4.00] 0.13 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.01 .. 0.13]
842-> ASN B 3 HD22 - LEU B 56 HD* [ 1.80 4.98] 0.05 0.00 0.00 0.03 0.04 0.00 0.00 0.01 0.15 0.00 0.01 0.00 0.00 0.00 0.11 0.05 0.02 0.00 0.00 0.00 - 10 [ 0.00 .. 0.15]
845-> ASN B 3 HN - ARG B 4 HN [ 1.80 4.80] 0.00 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 - 3 [ 0.07 .. 0.16]
859-> ARG B 4 HB3 - ARG B 4 HE [ 1.80 4.54] 0.00 0.10 0.00 0.10 0.11 0.12 0.00 0.00 0.01 0.10 0.00 0.00 0.09 0.14 0.08 0.10 0.10 0.00 0.07 0.00 - 12 [ 0.01 .. 0.14]
861-> ARG B 4 HB3 - LEU B 56 HA [ 1.80 5.22] 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.16 0.00 - 3 [ 0.03 .. 0.16]
872-> ARG B 4 HE - LEU B 56 HD* [ 1.80 3.98] 0.03 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.07 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 - 5 [ 0.03 .. 0.11]
873-> ARG B 4 HE - LEU B 56 HD1* [ 1.80 5.00] 0.05 0.00 0.10 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.03 0.04 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 - 6 [ 0.02 .. 0.10]
898-> GLN B 5 HN - ILE B 57 HG2* [ 1.80 4.97] 0.00 0.16 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.14 .. 0.65]
965-> LEU B 9 HD1* - LEU B 32 HD1* [ 1.80 4.71] 0.01 0.04 0.05 0.08 0.02 0.00 0.00 0.11 0.08 0.02 0.00 0.04 0.02 0.03 0.00 0.00 0.08 0.03 0.00 0.03 - 15 [ 0.00 .. 0.11]
971-> LEU B 9 HD2* - VAL B 51 HG1* [ 1.80 5.00] 0.03 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.08 0.00 0.12 0.03 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.06 - 7 [ 0.03 .. 0.12]
992-> THR B 10 HG2* - VAL B 51 HN [ 1.80 4.93] 0.00 0.00 0.00 0.00 0.17 0.09 0.00 0.00 0.00 0.02 0.00 0.00 0.11 0.00 0.19 0.00 0.00 0.12 0.11 0.00 - 7 [ 0.02 .. 0.19]
1021-> SER B 13 HA - LEU B 46 HD2* [ 1.80 4.80] 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 - 3 [ 0.02 .. 0.12]
1025-> SER B 13 HB* - LEU B 46 HD1* [ 1.80 5.61] 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 0.00 0.00 0.00 - 1 [ 0.11 .. 0.11]
1038-> LYS B 14 HA - LEU B 46 HD1* [ 1.80 3.71] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 - 1 [ 0.14 .. 0.14]
1108-> GLN B 16 HN - VAL B 31 HG1* [ 1.80 4.80] 0.00 0.08 0.10 0.05 0.08 0.09 0.07 0.00 0.00 0.06 0.12 0.10 0.03 0.01 0.01 0.02 0.04 0.06 0.06 0.06 - 17 [ 0.01 .. 0.12]
1162-> LYS B 21 HE* - LYS B 38 HN [ 1.80 5.48] 0.06 0.00 0.09 0.00 0.04 0.04 0.04 0.07 0.00 0.00 0.04 0.00 0.05 0.05 0.09 0.08 0.00 0.04 0.12 0.01 - 14 [ 0.01 .. 0.12]
1191-> GLU B 22 HN - LEU B 39 HD2* [ 1.80 3.65] 0.00 0.07 0.04 0.04 0.04 0.04 0.00 0.06 0.14 0.03 0.00 0.03 0.06 0.00 0.04 0.02 0.03 0.03 0.03 0.04 - 17 [ 0.00 .. 0.14]
1312-> ILE B 28 HN - ILE B 28 HD1* [ 1.80 3.73] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.29 .. 0.29]
1317-> GLN B 29 HG* - GLY B 30 HN [ 1.80 4.80] 0.00 0.16 0.00 0.06 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.03 0.12 0.00 0.04 0.21 0.14 0.00 0.00 0.12 - 9 [ 0.03 .. 0.21]
1349-> LEU B 32 HD1* - TYR B 62 HB3 [ 1.80 4.80] 0.00 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.16 .. 0.16]
1484-> LEU B 39 HA - ILE B 57 HG2* [ 1.80 5.00] 0.00 0.84 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.51 .. 0.84]
1511-> LEU B 46 HN - LEU B 46 HD2* [ 1.80 4.92] 0.12 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.09 .. 0.12]
1518-> LYS B 47 HD* - ALA B 48 HN [ 1.80 4.80] 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 - 2 [ 0.01 .. 0.24]
1521-> LYS B 47 HG2 - ALA B 48 HN [ 1.80 4.87] 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.05 0.00 0.00 0.05 0.22 0.00 - 5 [ 0.05 .. 0.22]
1632-> LEU B 64 HD2* - GLU B 65 HN [ 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 0.10 0.00 0.00 0.00 0.00 0.00 0.18 0.00 - 2 [ 0.10 .. 0.18]
1639-> GLU B 65 HB* - HIS B 66 HN [ 1.80 4.00] 0.13 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.01 .. 0.13]
1655-> GLN A 5 HB* - THR B 10 HN [ 1.80 4.96] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.11 .. 0.11]
1709-> THR A 10 HN - GLN B 5 HB* [ 1.80 4.96] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.11 .. 0.11]
1734-> LEU A 32 HD1* - LEU B 60 HN [ 1.80 5.61] 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]
1742-> LEU A 60 HB3 - TYR B 62 HN [ 1.80 5.63] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 - 2 [ 0.02 .. 0.11]
1744-> LEU A 60 HD2* - TYR B 62 HB3 [ 1.80 5.28] 0.00 0.03 0.00 0.44 0.03 0.00 0.00 0.01 0.00 0.06 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.03 0.00 0.00 - 7 [ 0.01 .. 0.44]
1750-> LEU A 60 HN - LEU B 32 HD1* [ 1.80 5.61] 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]
1756-> TYR A 62 HB3 - LEU B 60 HD2* [ 1.80 5.28] 0.00 0.03 0.00 0.44 0.03 0.00 0.00 0.01 0.00 0.05 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.03 0.00 0.00 - 7 [ 0.01 .. 0.44]
1767-> TYR A 62 HN - LEU B 60 HB3 [ 1.80 5.63] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 - 2 [ 0.02 .. 0.11]
1780-> GLN B 5 HB* - THR A 10 HN [ 1.80 4.96] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.11 .. 0.11]
1834-> THR B 10 HN - GLN A 5 HB* [ 1.80 4.96] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.11 .. 0.11]
1859-> LEU B 32 HD1* - LEU A 60 HN [ 1.80 5.61] 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]
1867-> LEU B 60 HB3 - TYR A 62 HN [ 1.80 5.63] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 - 2 [ 0.02 .. 0.11]
1869-> LEU B 60 HD2* - TYR A 62 HB3 [ 1.80 5.28] 0.00 0.03 0.00 0.44 0.03 0.00 0.00 0.01 0.00 0.05 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.03 0.00 0.00 - 7 [ 0.01 .. 0.44]
1873-> LEU B 60 HN - LEU A 32 HD1* [ 1.80 5.61] 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]
1879-> TYR B 62 HB3 - LEU A 60 HD2* [ 1.80 5.28] 0.00 0.03 0.00 0.44 0.03 0.00 0.00 0.01 0.00 0.06 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.03 0.00 0.00 - 7 [ 0.01 .. 0.44]
1892-> TYR B 62 HN - LEU A 60 HB3 [ 1.80 5.63] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 - 2 [ 0.02 .. 0.11]
1925-> GLY A 30 HN - THR A 27 O [ 1.70 2.30] 0.07 0.00 0.00 0.00 0.12 0.07 0.04 0.05 0.11 0.03 0.09 0.00 0.02 0.00 0.00 0.10 0.09 0.05 0.04 0.12 - 14 [ 0.02 .. 0.12]
1965-> GLY B 30 HN - THR B 27 O [ 1.70 2.30] 0.07 0.00 0.00 0.00 0.12 0.07 0.04 0.05 0.11 0.03 0.09 0.00 0.02 0.00 0.00 0.10 0.09 0.05 0.04 0.12 - 14 [ 0.02 .. 0.12]
-------------------------------------------
Number of Violations greater than 0.10 6 10 4 12 6 4 4 2 6 4 6 6 6 6 12 2 2 2 12 8
-------------------------------------------
---- 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: 6 8 4 4 6 4 4 2 6 4 6 4 6 4 10 0 2 2 8 8 4.90
0.2 - 0.5 ang: 0 0 0 4 0 0 0 0 0 0 0 0 0 2 0 2 0 0 4 0 0.60
> 0.5 ang: 0 2 0 4 0 0 0 0 0 0 0 2 0 0 2 0 0 0 0 0 0.50
Total : 58 68 54 72 60 63 56 46 58 60 58 58 60 44 71 66 60 56 73 54 59.75
Minimum Violation : 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
Maximum Violation : 0.128 0.838 0.102 0.648 0.170 0.117 0.165 0.108 0.155 0.109 0.124 0.510 0.124 0.290 0.513 0.207 0.139 0.121 0.243 0.165 0.838
Max Intra Viol : 0.125 0.099 0.024 0.097 0.106 0.117 0.094 0.000 0.012 0.096 0.012 0.003 0.087 0.290 0.085 0.097 0.098 0.008 0.069 0.000 0.290
Max Inter Viol : 0.041 0.106 0.040 0.438 0.035 0.092 0.037 0.032 0.071 0.109 0.081 0.064 0.022 0.033 0.111 0.096 0.060 0.051 0.057 0.044 0.438
Max Seque Viol : 0.128 0.156 0.022 0.066 0.000 0.104 0.165 0.097 0.064 0.071 0.057 0.031 0.124 0.115 0.048 0.207 0.139 0.084 0.243 0.165 0.243
Max Medium Viol : 0.066 0.000 0.000 0.000 0.115 0.073 0.039 0.052 0.108 0.031 0.095 0.000 0.016 0.000 0.000 0.096 0.086 0.049 0.042 0.117 0.117
Max Long Viol : 0.119 0.838 0.102 0.648 0.170 0.089 0.119 0.108 0.155 0.075 0.124 0.510 0.106 0.073 0.513 0.075 0.077 0.121 0.158 0.135 0.838
Average Violation : 0.001 0.003 0.001 0.004 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.002 0.001 0.001 0.002 0.002 0.001 0.001 0.002 0.001 0.00154
Avge Intra Viol : 0.001 0.001 0.000 0.000 0.001 0.001 0.000 0.000 0.000 0.001 0.000 0.000 0.000 0.002 0.001 0.001 0.000 0.000 0.000 0.000 0.00045
Avge Inter Viol : 0.001 0.004 0.002 0.010 0.002 0.002 0.001 0.001 0.003 0.004 0.002 0.001 0.001 0.001 0.004 0.004 0.002 0.002 0.001 0.002 0.00260
Avge Seque Viol : 0.000 0.000 0.000 0.000 0.001 0.001 0.000 0.000 0.001 0.000 0.001 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.001 0.00031
Avge Mediu Viol : 0.012 0.018 0.001 0.015 0.000 0.008 0.018 0.006 0.005 0.015 0.004 0.002 0.021 0.016 0.011 0.022 0.009 0.009 0.054 0.021 0.01343
Avge Long Viol : 0.002 0.004 0.002 0.005 0.002 0.002 0.002 0.002 0.002 0.001 0.002 0.004 0.001 0.001 0.004 0.001 0.001 0.001 0.002 0.002 0.00209
RMS Violation : 0.009 0.029 0.008 0.035 0.010 0.010 0.010 0.008 0.010 0.009 0.010 0.018 0.008 0.012 0.021 0.011 0.008 0.008 0.016 0.010 0.01494
RMS Inter : 0.005 0.016 0.008 0.057 0.007 0.012 0.005 0.006 0.014 0.017 0.011 0.009 0.004 0.005 0.018 0.017 0.010 0.009 0.008 0.007 0.01651
RMS Intra : 0.008 0.007 0.002 0.006 0.007 0.010 0.006 0.000 0.001 0.008 0.001 0.000 0.005 0.020 0.006 0.008 0.006 0.000 0.005 0.000 0.00709
RMS Sequential : 0.005 0.000 0.000 0.000 0.008 0.006 0.003 0.004 0.008 0.002 0.009 0.000 0.001 0.000 0.000 0.007 0.006 0.004 0.003 0.009 0.00485
RMS Medium range : 0.036 0.045 0.006 0.027 0.000 0.027 0.047 0.025 0.017 0.030 0.015 0.008 0.047 0.040 0.019 0.057 0.036 0.025 0.100 0.053 0.03957
RMS Long range : 0.010 0.044 0.012 0.045 0.012 0.010 0.011 0.010 0.013 0.008 0.012 0.029 0.008 0.006 0.031 0.006 0.007 0.010 0.013 0.010 0.01922
Final --global-- Summary for 20 models, 1974 NOEs/model, 39480 NOEs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ of viol : 60.956
Summ sq. viol : 8.816
Maximum viol : 0.838
Average viol : 0.00154
RMSD viol : 0.01494
Std. Dev. viol : 0.01486
RMS Inter : 0.01651
RMS Intra : 0.00709
RMS Seque : 0.00485
RMS Medi : 0.03957
RMS Long : 0.01922
table of dihedral angle constraints violations
23-> [ASP A 19] PHI -132.1 -31.5 13.4 12.5 18.8 9.7 13.9 13.9 13.7 16.4 2.2 0.0 12.4 14.1 19.9 14.6 18.0 15.8 12.0 14.5 17.9 17.1 - 19 [ 0.0 .. 19.9]
35-> [THR A 27] PHI -123.4 -68.8 6.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.1 6.9 0.0 1.6 0.0 0.0 1.0 - 5 [ 0.0 .. 6.9]
36-> [THR A 27] PSI 150.2 -165.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 8.4 0.8 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 8.4]
39-> [LEU A 32] PHI -137.2 -97.2 1.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.9]
52-> [LEU A 39] PSI -70.2 69.8 5.2 4.0 5.2 3.9 11.8 13.2 8.0 14.8 9.4 5.2 16.8 4.9 14.1 5.6 4.5 6.2 43.6 4.3 6.1 5.1 - 20 [ 3.9 .. 43.6]
53-> [GLN A 50] PHI -156.6 -82.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 3.0]
71-> [LEU A 60] PHI -168.8 -116.4 0.0 0.0 0.0 2.2 0.0 0.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 3.0]
76-> [TYR A 62] PSI 99.7 160.3 0.0 6.7 3.8 0.0 4.9 11.6 8.3 0.0 0.0 0.0 0.0 5.9 6.5 0.0 0.0 0.0 0.0 0.1 0.0 0.0 - 8 [ 0.0 .. 11.6]
99-> [ASP B 19] PHI -132.1 -31.5 13.5 12.6 18.7 9.6 13.9 13.9 13.6 16.4 2.2 0.0 12.4 14.1 20.0 14.5 18.0 15.8 12.0 14.6 17.9 17.1 - 19 [ 0.0 .. 20.0]
111-> [THR B 27] PHI -123.4 -68.8 6.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.1 6.9 0.0 1.5 0.0 0.0 1.0 - 5 [ 0.0 .. 6.9]
112-> [THR B 27] PSI 150.2 -165.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 8.3 0.9 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 8.3]
115-> [LEU B 32] PHI -137.2 -97.2 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 2.0]
128-> [LEU B 39] PSI -70.2 69.8 5.3 3.9 5.2 3.9 11.8 13.2 8.1 14.8 9.4 5.2 16.8 4.8 14.1 5.6 4.4 6.3 43.6 4.3 6.1 5.1 - 20 [ 3.9 .. 43.6]
129-> [GLN B 50] PHI -156.6 -82.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.9]
147-> [LEU B 60] PHI -168.8 -116.4 0.0 0.0 0.0 2.1 0.0 0.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 3.0]
152-> [TYR B 62] PSI 99.7 160.3 0.0 6.7 3.8 0.0 4.9 11.5 8.3 0.0 0.0 0.0 0.0 5.9 6.5 0.0 0.0 0.0 0.0 0.1 0.0 0.0 - 8 [ 0.0 .. 11.5]
---- 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 : 6 4 4 6 2 0 4 0 4 4 0 6 2 4 4 2 2 2 2 2 3.00
> 10. degrees : 2 2 2 0 4 6 2 4 0 0 4 2 4 2 2 2 4 2 2 2 2.40
Total : 8 6 6 6 6 6 8 4 6 4 4 8 6 8 8 4 6 6 4 6 6.00
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 : 13.5 12.6 18.8 9.7 13.9 13.9 13.7 16.4 9.4 5.2 16.8 14.1 20.0 14.6 18.0 15.8 43.6 14.6 17.9 17.1 43.63
Max PHI Viol : 13.5 12.6 18.8 9.7 13.9 13.9 13.7 16.4 2.2 3.0 12.4 14.1 20.0 14.6 18.0 15.8 12.0 14.6 17.9 17.1 19.98
Max PSI Viol : 5.3 6.7 5.2 3.9 11.8 13.2 8.3 14.8 9.4 5.2 16.8 5.9 14.1 8.4 4.5 6.3 43.6 4.3 6.1 5.1 43.63
Average Violation : 0.4 0.3 0.4 0.2 0.4 0.5 0.4 0.4 0.2 0.1 0.4 0.4 0.5 0.4 0.4 0.3 0.8 0.2 0.3 0.3 0.360
Avge PHI Viol : 0.758 0.575 0.702 0.558 0.605 0.604 0.605 0.657 0.285 0.280 0.571 0.669 0.725 0.620 0.810 0.644 0.596 0.619 0.686 0.689 0.626
Avge PSI Viol : 0.371 0.529 0.486 0.320 0.662 0.807 0.656 0.624 0.498 0.369 0.664 0.532 0.737 0.606 0.375 0.407 1.072 0.341 0.401 0.367 0.572
RMS Violation : 1.827 1.693 2.273 1.221 2.166 2.564 2.052 2.535 1.116 0.684 2.391 1.869 2.904 2.029 2.276 1.947 5.192 1.739 2.167 2.048 2.303
RMS PHI Viol : 2.440 2.035 3.040 1.607 2.256 2.251 2.216 2.660 0.382 0.484 2.008 2.335 3.238 2.361 3.132 2.558 1.955 2.359 2.900 2.775 2.365
RMS PSI Viol : 0.849 1.263 1.043 0.633 2.071 2.843 1.874 2.402 1.531 0.837 2.721 1.239 2.525 1.631 0.737 1.021 7.078 0.695 0.991 0.831 2.240
Final --global-- Summary for 20 models, 152 ACOs/model, 3040 ACOs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ. Viol. : 1093.44
Summ. Sq. Viol. : 16124.04
Max. Viol. : 43.632
Avg. Viol. : 0.35968
RMS Viol. : 2.30303
Std. Dev. Viol. : 2.27477
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 0.146 0.632 0.355 0.311
ASP M 2 0.551 0.376 0.498 0.909
ASN M 3 0.570 0.676 0.663 0.622
ARG M 4 0.742 0.943 0.910 0.930 0.544 0.839 1.000
GLN M 5 0.986 0.997 0.920 0.995 0.897 5 5
PHE M 6 0.998 0.995 0.913 0.563 6 6
LEU M 7 0.995 0.999 0.998 1.000 7 7
SER M 8 0.999 0.999 0.998 8 8
LEU M 9 0.997 0.999 0.996 0.999 9 9
THR M 10 0.989 0.945 0.439 10 10
GLY M 11 0.950 0.994 11 11
VAL M 12 0.997 0.998 1.000 12 12
SER M 13 0.996 0.994 0.634 13 13
LYS M 14 0.999 0.995 0.795 1.000 0.999 1.000 14 14
VAL M 15 0.999 0.999 1.000 15 15
GLN M 16 0.999 1.000 1.000 0.809 0.907 16 16
SER M 17 0.999 0.999 1.000 17 17
PHE M 18 0.992 0.996 0.996 0.990 18 18
ASP M 19 0.996 0.999 0.999 0.998 19 19
PRO M 20 0.996 0.998 0.945 0.887 20 20
LYS M 21 0.998 0.997 0.999 0.999 0.999 0.999 21 21
GLU M 22 0.999 0.999 1.000 0.999 0.961 22 22
ILE M 23 0.997 0.999 0.999 0.769 23 23
LEU M 24 0.999 0.997 0.999 0.999 24 24
LEU M 25 0.998 0.997 0.999 1.000 25 25
GLU M 26 0.998 0.999 0.999 0.997 0.912 26 26
THR M 27 0.992 0.978 0.538 27 27
ILE M 28 0.864 0.130 0.998 0.848
GLN M 29 0.108 0.966 0.843 0.583 0.731
GLY M 30 0.897 0.985 30
VAL M 31 0.986 0.996 1.000 31 31
LEU M 32 0.996 0.998 0.997 0.999 32 32
SER M 33 0.999 0.999 0.917 33 33
ILE M 34 0.999 1.000 1.000 0.999 34 34
LYS M 35 0.999 0.999 1.000 0.932 0.934 0.872 35 35
GLY M 36 0.998 0.998 36 36
GLU M 37 0.995 1.000 0.443 1.000 1.000 37 37
LYS M 38 0.999 0.999 1.000 0.852 1.000 1.000 38 38
LEU M 39 1.000 0.989 0.999 0.998 39 39
GLY M 40 0.945 0.914 40 40
ILE M 41 0.616 0.461 0.580 0.691
LYS M 42 0.462 0.271 0.566 0.936 0.931 0.998
HIS M 43 0.571 0.550 0.473 0.434
LEU M 44 0.754 0.242 0.587 0.577
ASP M 45 0.625 0.288 0.553 0.906
LEU M 46 0.325 0.494 0.525 0.567
LYS M 47 0.445 0.847 0.566 0.998 1.000 0.999
ALA M 48 0.791 0.751
GLY M 49 0.736 0.946
GLN M 50 0.975 0.998 0.523 0.998 0.714 50 50
VAL M 51 0.999 0.998 0.865 51 51
GLU M 52 0.998 0.996 0.673 0.998 0.903 52 52
VAL M 53 0.999 0.991 0.415 53 53
GLU M 54 0.993 0.996 0.275 0.997 0.843 54 54
GLY M 55 0.995 0.993 55 55
LEU M 56 0.993 0.992 0.998 0.940 56 56
ILE M 57 0.999 0.994 0.731 1.000 57 57
ASP M 58 0.993 0.992 0.995 0.935 58 58
ALA M 59 0.995 0.998 59 59
LEU M 60 0.993 0.995 0.996 0.997 60 60
VAL M 61 1.000 0.997 1.000 61 61
TYR M 62 0.993 0.978 0.843 0.654 62 62
PRO M 63 0.993 0.779 0.947 0.912
LEU M 64 0.741 0.325 0.449 0.624
GLU M 65 0.280 0.108 0.564 0.855 0.940
HIS M 66 0.406 0.354 0.591 0.407
HIS M 67 0.753 0.488 0.457 0.676
HIS M 68 0.457 0.140 0.599 0.711
HIS M 69 0.640 0.199 0.361 0.708
HIS M 70 0.345 0.494 0.321 0.349
HIS M 71 0.824 0.287 0.653 0.622
MET M 82 0.240 0.147 0.632 0.356 0.312
ASP M 83 0.551 0.376 0.498 0.909
ASN M 84 0.570 0.676 0.663 0.622
ARG M 85 0.742 0.943 0.910 0.930 0.544 0.839 1.000
GLN M 86 0.986 0.997 0.920 0.995 0.897 86 86
PHE M 87 0.998 0.995 0.913 0.563 87 87
LEU M 88 0.995 0.999 0.998 1.000 88 88
SER M 89 0.999 0.999 0.998 89 89
LEU M 90 0.997 0.999 0.996 0.999 90 90
THR M 91 0.989 0.945 0.439 91 91
GLY M 92 0.950 0.994 92 92
VAL M 93 0.997 0.998 1.000 93 93
SER M 94 0.996 0.994 0.634 94 94
LYS M 95 0.999 0.995 0.795 1.000 0.999 1.000 95 95
VAL M 96 0.999 0.999 1.000 96 96
GLN M 97 0.999 1.000 1.000 0.809 0.907 97 97
SER M 98 0.999 0.999 1.000 98 98
PHE M 99 0.992 0.996 0.995 0.990 99 99
ASP M 100 0.996 0.999 0.999 0.998 100 100
PRO M 101 0.996 0.998 0.945 0.887 101 101
LYS M 102 0.998 0.997 0.999 0.999 0.999 0.999 102 102
GLU M 103 0.999 0.999 1.000 0.999 0.961 103 103
ILE M 104 0.997 0.999 0.999 0.769 104 104
LEU M 105 0.999 0.997 0.999 0.999 105 105
LEU M 106 0.998 0.997 0.999 1.000 106 106
GLU M 107 0.998 0.999 0.999 0.997 0.912 107 107
THR M 108 0.992 0.977 0.538 108 108
ILE M 109 0.864 0.130 0.998 0.848
GLN M 110 0.108 0.966 0.844 0.584 0.732
GLY M 111 0.897 0.985 111
VAL M 112 0.986 0.996 1.000 112 112
LEU M 113 0.996 0.998 0.997 0.999 113 113
SER M 114 0.999 0.999 0.917 114 114
ILE M 115 0.999 1.000 1.000 0.999 115 115
LYS M 116 0.999 0.999 1.000 0.932 0.934 0.872 116 116
GLY M 117 0.998 0.998 117 117
GLU M 118 0.995 1.000 0.443 1.000 1.000 118 118
LYS M 119 0.999 0.999 1.000 0.852 1.000 1.000 119 119
LEU M 120 1.000 0.989 0.999 0.998 120 120
GLY M 121 0.945 0.914 121 121
ILE M 122 0.615 0.461 0.580 0.692
LYS M 123 0.462 0.271 0.566 0.936 0.931 0.998
HIS M 124 0.571 0.550 0.474 0.434
LEU M 125 0.754 0.242 0.587 0.576
ASP M 126 0.625 0.288 0.553 0.906
LEU M 127 0.326 0.494 0.525 0.567
LYS M 128 0.445 0.847 0.566 0.998 1.000 0.999
ALA M 129 0.791 0.751
GLY M 130 0.736 0.946
GLN M 131 0.975 0.998 0.523 0.998 0.714 131 131
VAL M 132 0.999 0.998 0.865 132 132
GLU M 133 0.998 0.996 0.673 0.998 0.903 133 133
VAL M 134 0.999 0.991 0.415 134 134
GLU M 135 0.993 0.996 0.275 0.997 0.843 135 135
GLY M 136 0.995 0.993 136 136
LEU M 137 0.993 0.992 0.998 0.940 137 137
ILE M 138 0.999 0.994 0.731 1.000 138 138
ASP M 139 0.993 0.992 0.995 0.935 139 139
ALA M 140 0.995 0.998 140 140
LEU M 141 0.993 0.995 0.996 0.997 141 141
VAL M 142 1.000 0.997 1.000 142 142
TYR M 143 0.993 0.978 0.843 0.653 143 143
PRO M 144 0.993 0.778 0.947 0.912
LEU M 145 0.741 0.324 0.449 0.623
GLU M 146 0.280 0.108 0.564 0.855 0.940
HIS M 147 0.406 0.353 0.591 0.407
HIS M 148 0.753 0.488 0.457 0.676
HIS M 149 0.457 0.140 0.599 0.711
HIS M 150 0.640 0.199 0.361 0.708
HIS M 151 0.345 0.494 0.321 0.349
HIS M 152 0.824 0.653 0.622
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 `DHR8C_R3Cons_em_bcr3.pdb'
>
> Kabsch RMSD of backbone atoms in res. M[5..27],M[31..40],M[50..62],M[86..108],M[112..121],M[131..143],for model 1 is: 0.469
> Kabsch RMSD of backbone atoms in res. M[5..27],M[31..40],M[50..62],M[86..108],M[112..121],M[131..143],for model 2 is: 0.695
> Kabsch RMSD of backbone atoms in res. M[5..27],M[31..40],M[50..62],M[86..108],M[112..121],M[131..143],for model 3 is: 0.351
> Kabsch RMSD of backbone atoms in res. M[5..27],M[31..40],M[50..62],M[86..108],M[112..121],M[131..143],for model 4 is: 0.423
> Kabsch RMSD of backbone atoms in res. M[5..27],M[31..40],M[50..62],M[86..108],M[112..121],M[131..143],for model 5 is: 0.360
> Kabsch RMSD of backbone atoms in res. M[5..27],M[31..40],M[50..62],M[86..108],M[112..121],M[131..143],for model 6 is: 0.359
> Kabsch RMSD of backbone atoms in res. M[5..27],M[31..40],M[50..62],M[86..108],M[112..121],M[131..143],for model 7 is: 0.462
> Kabsch RMSD of backbone atoms in res. M[5..27],M[31..40],M[50..62],M[86..108],M[112..121],M[131..143],for model 8 is: 0.449
> Kabsch RMSD of backbone atoms in res. M[5..27],M[31..40],M[50..62],M[86..108],M[112..121],M[131..143],for model 9 is: 0.375
> Kabsch RMSD of backbone atoms in res. M[5..27],M[31..40],M[50..62],M[86..108],M[112..121],M[131..143],for model 10 is: 0.599
> Kabsch RMSD of backbone atoms in res. M[5..27],M[31..40],M[50..62],M[86..108],M[112..121],M[131..143],for model 11 is: 0.400
> Kabsch RMSD of backbone atoms in res. M[5..27],M[31..40],M[50..62],M[86..108],M[112..121],M[131..143],for model 12 is: 0.554
> Kabsch RMSD of backbone atoms in res. M[5..27],M[31..40],M[50..62],M[86..108],M[112..121],M[131..143],for model 13 is: 0.243 (*)
> Kabsch RMSD of backbone atoms in res. M[5..27],M[31..40],M[50..62],M[86..108],M[112..121],M[131..143],for model 14 is: 0.438
> Kabsch RMSD of backbone atoms in res. M[5..27],M[31..40],M[50..62],M[86..108],M[112..121],M[131..143],for model 15 is: 0.530
> Kabsch RMSD of backbone atoms in res. M[5..27],M[31..40],M[50..62],M[86..108],M[112..121],M[131..143],for model 16 is: 0.352
> Kabsch RMSD of backbone atoms in res. M[5..27],M[31..40],M[50..62],M[86..108],M[112..121],M[131..143],for model 17 is: 0.302
> Kabsch RMSD of backbone atoms in res. M[5..27],M[31..40],M[50..62],M[86..108],M[112..121],M[131..143],for model 18 is: 0.365
> Kabsch RMSD of backbone atoms in res. M[5..27],M[31..40],M[50..62],M[86..108],M[112..121],M[131..143],for model 19 is: 0.347
> Kabsch RMSD of backbone atoms in res. M[5..27],M[31..40],M[50..62],M[86..108],M[112..121],M[131..143],for model 20 is: 0.328
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[5..27],[31..40],[50..62],[86..108],[112..121],[131..143], is: 0.420
> Range of RMSD values to reference struct. is 0.243 to 0.695
> Kabsch RMSD of heavy atoms in res. M[5..27],M[31..40],M[50..62],M[86..108],M[112..121],M[131..143],for model 1 is: 0.733
> Kabsch RMSD of heavy atoms in res. M[5..27],M[31..40],M[50..62],M[86..108],M[112..121],M[131..143],for model 2 is: 1.212
> Kabsch RMSD of heavy atoms in res. M[5..27],M[31..40],M[50..62],M[86..108],M[112..121],M[131..143],for model 3 is: 0.618
> Kabsch RMSD of heavy atoms in res. M[5..27],M[31..40],M[50..62],M[86..108],M[112..121],M[131..143],for model 4 is: 0.719
> Kabsch RMSD of heavy atoms in res. M[5..27],M[31..40],M[50..62],M[86..108],M[112..121],M[131..143],for model 5 is: 0.627
> Kabsch RMSD of heavy atoms in res. M[5..27],M[31..40],M[50..62],M[86..108],M[112..121],M[131..143],for model 6 is: 0.558
> Kabsch RMSD of heavy atoms in res. M[5..27],M[31..40],M[50..62],M[86..108],M[112..121],M[131..143],for model 7 is: 0.667
> Kabsch RMSD of heavy atoms in res. M[5..27],M[31..40],M[50..62],M[86..108],M[112..121],M[131..143],for model 8 is: 0.706
> Kabsch RMSD of heavy atoms in res. M[5..27],M[31..40],M[50..62],M[86..108],M[112..121],M[131..143],for model 9 is: 0.593
> Kabsch RMSD of heavy atoms in res. M[5..27],M[31..40],M[50..62],M[86..108],M[112..121],M[131..143],for model 10 is: 1.021
> Kabsch RMSD of heavy atoms in res. M[5..27],M[31..40],M[50..62],M[86..108],M[112..121],M[131..143],for model 11 is: 0.596
> Kabsch RMSD of heavy atoms in res. M[5..27],M[31..40],M[50..62],M[86..108],M[112..121],M[131..143],for model 12 is: 0.693
> Kabsch RMSD of heavy atoms in res. M[5..27],M[31..40],M[50..62],M[86..108],M[112..121],M[131..143],for model 13 is: 0.591
> Kabsch RMSD of heavy atoms in res. M[5..27],M[31..40],M[50..62],M[86..108],M[112..121],M[131..143],for model 14 is: 0.684
> Kabsch RMSD of heavy atoms in res. M[5..27],M[31..40],M[50..62],M[86..108],M[112..121],M[131..143],for model 15 is: 0.860
> Kabsch RMSD of heavy atoms in res. M[5..27],M[31..40],M[50..62],M[86..108],M[112..121],M[131..143],for model 16 is: 0.834
> Kabsch RMSD of heavy atoms in res. M[5..27],M[31..40],M[50..62],M[86..108],M[112..121],M[131..143],for model 17 is: 0.518 (*)
> Kabsch RMSD of heavy atoms in res. M[5..27],M[31..40],M[50..62],M[86..108],M[112..121],M[131..143],for model 18 is: 0.607
> Kabsch RMSD of heavy atoms in res. M[5..27],M[31..40],M[50..62],M[86..108],M[112..121],M[131..143],for model 19 is: 0.537
> Kabsch RMSD of heavy atoms in res. M[5..27],M[31..40],M[50..62],M[86..108],M[112..121],M[131..143],for model 20 is: 0.620
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[5..27],[31..40],[50..62],[86..108],[112..121],[131..143], is: 0.700
> Range of RMSD values to reference struct. is 0.518 to 1.212
Text report of backbone RMSD for entire protein
> Kabsch RMSD of backb atoms in res. *[1..152],for model 1 is: 1.680 (*)
> Kabsch RMSD of backb atoms in res. *[1..152],for model 2 is: 2.787
> Kabsch RMSD of backb atoms in res. *[1..152],for model 3 is: 2.985
> Kabsch RMSD of backb atoms in res. *[1..152],for model 4 is: 4.305
> Kabsch RMSD of backb atoms in res. *[1..152],for model 5 is: 2.331
> Kabsch RMSD of backb atoms in res. *[1..152],for model 6 is: 3.501
> Kabsch RMSD of backb atoms in res. *[1..152],for model 7 is: 2.648
> Kabsch RMSD of backb atoms in res. *[1..152],for model 8 is: 3.089
> Kabsch RMSD of backb atoms in res. *[1..152],for model 9 is: 2.290
> Kabsch RMSD of backb atoms in res. *[1..152],for model 10 is: 2.345
> Kabsch RMSD of backb atoms in res. *[1..152],for model 11 is: 3.502
> Kabsch RMSD of backb atoms in res. *[1..152],for model 12 is: 1.999
> Kabsch RMSD of backb atoms in res. *[1..152],for model 13 is: 2.796
> Kabsch RMSD of backb atoms in res. *[1..152],for model 14 is: 3.594
> Kabsch RMSD of backb atoms in res. *[1..152],for model 15 is: 3.940
> Kabsch RMSD of backb atoms in res. *[1..152],for model 16 is: 3.081
> Kabsch RMSD of backb atoms in res. *[1..152],for model 17 is: 3.185
> Kabsch RMSD of backb atoms in res. *[1..152],for model 18 is: 2.946
> Kabsch RMSD of backb atoms in res. *[1..152],for model 19 is: 2.445
> Kabsch RMSD of backb atoms in res. *[1..152],for model 20 is: 2.730
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..152], is: 2.909
> Range of RMSD values to reference struct. is 1.680 to 4.305
Text report of heavy atom RMSD for entire protein
> Kabsch RMSD of heavy atoms in res. *[1..152],for model 1 is: 2.478 (*)
> Kabsch RMSD of heavy atoms in res. *[1..152],for model 2 is: 3.632
> Kabsch RMSD of heavy atoms in res. *[1..152],for model 3 is: 3.556
> Kabsch RMSD of heavy atoms in res. *[1..152],for model 4 is: 5.432
> Kabsch RMSD of heavy atoms in res. *[1..152],for model 5 is: 3.096
> Kabsch RMSD of heavy atoms in res. *[1..152],for model 6 is: 4.147
> Kabsch RMSD of heavy atoms in res. *[1..152],for model 7 is: 3.401
> Kabsch RMSD of heavy atoms in res. *[1..152],for model 8 is: 4.049
> Kabsch RMSD of heavy atoms in res. *[1..152],for model 9 is: 3.001
> Kabsch RMSD of heavy atoms in res. *[1..152],for model 10 is: 3.097
> Kabsch RMSD of heavy atoms in res. *[1..152],for model 11 is: 4.136
> Kabsch RMSD of heavy atoms in res. *[1..152],for model 12 is: 2.776
> Kabsch RMSD of heavy atoms in res. *[1..152],for model 13 is: 3.466
> Kabsch RMSD of heavy atoms in res. *[1..152],for model 14 is: 4.319
> Kabsch RMSD of heavy atoms in res. *[1..152],for model 15 is: 4.763
> Kabsch RMSD of heavy atoms in res. *[1..152],for model 16 is: 3.822
> Kabsch RMSD of heavy atoms in res. *[1..152],for model 17 is: 3.770
> Kabsch RMSD of heavy atoms in res. *[1..152],for model 18 is: 3.687
> Kabsch RMSD of heavy atoms in res. *[1..152],for model 19 is: 3.403
> Kabsch RMSD of heavy atoms in res. *[1..152],for model 20 is: 3.580
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..152], is: 3.681
> Range of RMSD values to reference struct. is 2.478 to 5.432
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 2.9 0.4 0.3
All heavy atoms 3.7 0.7 0.6
Contact Map (constraints list and 3D Coordinates)
JPEG image of Contact Map for Constraints
JPEG image of Contact Map for Coordinates
Output from PROCHECK
Ramachandran Plot for all models
Text summary of Ramachandran Plot
+----------<<< P R O C H E C K S U M M A R Y >>>----------+
| |
| DHR8C_R3Cons_em_bcr3_020.rin 0.0 940 residues |
| |
+| Ramachandran plot: 86.7% core 13.3% allow 0.0% gener 0.0% disall |
| |
| All Ramachandrans: 0 labelled residues (out of 940) |
+| Chi1-chi2 plots: 4 labelled residues (out of 560) |
JPEG image for all model Ramachandran Plot
Residue Properties for all models
JPEG for all model Residue Properties
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
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
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
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
5 -0.68
6 0.04
7 -0.59
8 -0.28
9 -0.42
10 -0.14
11 -0.32
12 -0.21
13 -1.01
14 -1.84
15 -0.36
16 -0.18
17 -1.21
18 -0.18
19 -1.23
20 -0.89
21 -0.92
22 -1.06
23 0.34
24 -0.47
25 0.00
26 -0.75
27 -0.93
30 -0.59
31 0.19
32 -0.02
33 -0.73
34 0.23
35 -0.19
36 -0.65
37 -0.45
38 -1.02
39 -2.31
40 -0.92
50 -0.38
51 0.31
52 -0.70
53 0.24
54 -0.46
55 -0.81
56 -2.09
57 -0.61
58 -1.63
59 -0.50
60 -0.44
61 -0.05
62 -1.17
#Reported_Model_Average -0.597
#Overall_Average_Reported -0.597
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
5 0.17
6 0.06
7 -0.03
8 -0.20
9 -0.03
10 -0.10
11 -0.32
12 0.21
13 -0.12
14 -0.55
15 0.16
16 0.28
17 -0.57
18 0.14
19 -1.20
20 -0.89
21 0.17
22 -0.12
23 0.54
24 0.20
25 0.31
26 0.03
27 -0.68
30 -0.59
31 0.40
32 0.16
33 -0.48
34 0.52
35 0.52
36 -0.65
37 0.05
38 -0.11
39 -1.55
40 -0.92
50 0.23
51 0.45
52 0.08
53 0.18
54 -0.13
55 -0.81
56 -0.68
57 -0.20
58 -0.40
59 -0.50
60 0.15
61 0.26
62 -1.58
#Reported_Model_Average -0.173
#Overall_Average_Reported -0.173
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
5 -0.87 -0.87 0.10 0.10 0.10 -0.87 0.10 0.10 0.10 -0.87 0.10 -0.87 -0.87 -0.87 -0.84 0.10 0.10 -0.87 -0.84 -0.87
6 0.71 -0.84 -0.84 -0.84 -0.84 -0.84 0.71 0.71 0.71 0.71 0.71 -0.84 -0.84 0.71 0.71 0.71 0.71 -0.84 0.71 0.71
7 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
8 0.59 0.17 0.59 0.59 0.17 0.17 0.59 0.59 0.59 0.59 0.59 0.17 0.17 0.59 0.17 0.59 0.59 0.59 0.59 0.59
9 1.06 0.77 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
10 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55
11 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
12 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
13 0.34 0.59 0.34 0.34 0.17 0.34 0.34 0.34 0.17 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34
14 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
15 -0.09 -0.09 -0.09 -0.09 0.66 1.00 0.66 -0.09 -0.09 -0.09 -0.09 -0.09 1.00 -0.09 -0.09 -0.09 -0.09 1.00 0.66 -0.09
16 -0.57 -0.57 -0.57 -0.57 -0.87 -0.57 -0.87 -0.57 -0.57 -0.57 -0.57 -0.57 -0.57 -0.57 -0.57 -0.57 -0.57 -0.57 -0.57 -0.57
17 0.34 0.34 0.34 0.17 0.34 0.17 0.34 0.17 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.17 0.17 0.34
18 -1.29 0.71 0.71 1.04 1.04 1.04 1.04 0.71 0.71 1.04 -1.29 -1.29 1.04 0.71 0.71 -1.29 0.71 1.04 0.71 1.04
19 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
20 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
21 0.47 0.47 -0.10 -0.10 -0.10 0.47 -0.10 -0.10 -0.10 0.47 -0.10 0.47 0.47 -0.10 -0.10 0.47 -0.10 -0.10 0.47 0.47
22 0.28 0.28 -0.59 0.28 -0.59 0.28 0.28 -0.59 0.28 0.28 -0.59 0.28 0.28 -0.59 0.28 0.28 0.28 -0.59 -0.59 0.28
23 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
24 -0.33 -0.33 -0.33 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 0.29 -0.68 -0.68 -0.33 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68
25 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
26 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
27 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55
30 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
31 -0.09 -0.09 -0.40 -0.74 -0.40 -0.40 -0.09 -0.74 -0.40 0.66 -0.09 -0.40 -0.40 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74
32 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
33 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59
34 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
35 0.47 0.08 0.47 0.47 0.47 0.47 0.47 0.47 0.47 -0.72 0.47 0.08 0.47 0.08 0.47 0.08 0.47 0.47 0.08 0.08
36 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
37 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 -0.59 0.28 0.28 0.28 -0.59 0.28 -0.59 0.28 0.28 -0.59 -0.59
38 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
39 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77
40 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
50 0.25 0.25 -0.57 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25
51 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
52 0.28 0.28 -0.46 0.28 0.28 0.28 -0.46 -1.13 0.28 0.28 -0.59 0.28 0.28 -0.46 -0.59 -0.46 -0.46 -0.59 -0.46 0.28
53 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
54 -0.59 -0.46 -0.59 -0.59 -0.59 0.28 -0.59 -0.59 -0.59 0.28 -1.13 -0.59 0.28 -0.59 -0.59 0.28 -1.13 -1.13 -0.59 0.28
55 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
56 0.29 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.33 0.29 0.29 0.29 0.77 0.29 0.29 0.29 0.29 -0.68 -0.68 -0.68 0.29
57 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
58 0.34 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.34 0.51 0.34 0.34 0.51 0.34 0.51 0.51 0.34 0.34
59 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
60 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
61 -0.74 -0.74 -0.74 -0.09 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74
62 1.14 0.52 1.14 1.14 1.14 1.14 1.14 1.25 1.14 0.52 1.25 1.14 1.14 1.14 1.25 1.25 1.25 1.14 1.25 1.25
#Reported_Model_Average 0.488 0.452 0.430 0.485 0.460 0.502 0.515 0.458 0.525 0.511 0.463 0.437 0.523 0.443 0.476 0.465 0.476 0.425 0.443 0.510
#Overall_Average_Reported 0.474
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
5 -0.87 -0.87 0.10 0.10 0.10 -0.87 0.10 0.10 0.10 -0.87 0.10 -0.87 -0.87 -0.87 -0.84 0.10 0.10 -0.87 -0.84 -0.87
6 0.71 -0.84 -0.84 -0.84 -0.84 -0.84 0.71 0.71 0.71 0.71 0.71 -0.84 -0.84 0.71 0.71 0.71 0.71 -0.84 0.71 0.71
7 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
8 0.59 0.17 0.59 0.59 0.17 0.17 0.59 0.59 0.59 0.59 0.59 0.17 0.17 0.59 0.17 0.59 0.59 0.59 0.59 0.59
9 1.06 0.77 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
10 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55
11 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
12 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
13 0.34 0.59 0.34 0.34 0.17 0.34 0.34 0.34 0.17 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34
14 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
15 -0.09 -0.09 -0.09 -0.09 0.66 1.00 0.66 -0.09 -0.09 -0.09 -0.09 -0.09 1.00 -0.09 -0.09 -0.09 -0.09 1.00 0.66 -0.09
16 -0.57 -0.57 -0.57 -0.57 -0.87 -0.57 -0.87 -0.57 -0.57 -0.57 -0.57 -0.57 -0.57 -0.57 -0.57 -0.57 -0.57 -0.57 -0.57 -0.57
17 0.34 0.34 0.34 0.17 0.34 0.17 0.34 0.17 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.17 0.17 0.34
18 -1.29 0.71 0.71 1.04 1.04 1.04 1.04 0.71 0.71 1.04 -1.29 -1.29 1.04 0.71 0.71 -1.29 0.71 1.04 0.71 1.04
19 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
20 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
21 0.47 0.47 -0.10 -0.10 -0.10 0.47 -0.10 -0.10 -0.10 0.47 -0.10 0.47 0.47 -0.10 -0.10 0.47 -0.10 -0.10 0.47 0.47
22 0.28 0.28 -0.59 0.28 -0.59 0.28 0.28 -0.59 0.28 0.28 -0.59 0.28 0.28 -0.59 0.28 0.28 0.28 -0.59 -0.59 0.28
23 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
24 -0.33 -0.33 -0.33 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 0.29 -0.68 -0.68 -0.33 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68
25 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
26 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
27 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55
30 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
31 -0.09 -0.09 -0.40 -0.74 -0.40 -0.40 -0.09 -0.74 -0.40 0.66 -0.09 -0.40 -0.40 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74
32 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
33 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59
34 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
35 0.47 0.08 0.47 0.47 0.47 0.47 0.47 0.47 0.47 -0.72 0.47 0.08 0.47 0.08 0.47 0.08 0.47 0.47 0.08 0.08
36 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
37 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 -0.59 0.28 0.28 0.28 -0.59 0.28 -0.59 0.28 0.28 -0.59 -0.59
38 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
39 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77
40 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
50 0.25 0.25 -0.57 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25
51 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
52 0.28 0.28 -0.46 0.28 0.28 0.28 -0.46 -1.13 0.28 0.28 -0.59 0.28 0.28 -0.46 -0.59 -0.46 -0.46 -0.59 -0.46 0.28
53 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
54 -0.59 -0.46 -0.59 -0.59 -0.59 0.28 -0.59 -0.59 -0.59 0.28 -1.13 -0.59 0.28 -0.59 -0.59 0.28 -1.13 -1.13 -0.59 0.28
55 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
56 0.29 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.33 0.29 0.29 0.29 0.77 0.29 0.29 0.29 0.29 -0.68 -0.68 -0.68 0.29
57 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
58 0.34 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.34 0.51 0.34 0.34 0.51 0.34 0.51 0.51 0.34 0.34
59 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
60 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
61 -0.74 -0.74 -0.74 -0.09 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74
62 1.14 0.52 1.14 1.14 1.14 1.14 1.14 1.25 1.14 0.52 1.25 1.14 1.14 1.14 1.25 1.25 1.25 1.14 1.25 1.25
#Reported_Model_Average 0.488 0.452 0.430 0.485 0.460 0.502 0.515 0.458 0.525 0.511 0.463 0.437 0.523 0.443 0.476 0.465 0.476 0.425 0.443 0.510
#Overall_Average_Reported 0.474
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
5.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0
6.000 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 0 0 0 0
7.000 1 0 0 0 0 0 0 1 1 0 0 0 0 1 0 0 0 0 0 0
8.000 1 1 0 1 1 0 0 0 0 1 0 0 0 0 1 1 0 0 0 0
9.000 1 0 1 0 0 2 0 0 1 0 1 0 0 0 0 0 0 0 0 1
10.000 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 0 0 0 0
11.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
12.000 0 1 0 0 1 0 0 0 0 0 1 1 0 1 0 0 0 0 1 0
13.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
14.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
15.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
16.000 0 0 0 0 1 1 0 1 0 0 0 0 1 0 0 0 1 0 0 0
17.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
18.000 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
19.000 0 1 1 0 0 0 1 1 1 0 0 0 0 0 1 0 0 0 0 0
20.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
21.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
22.000 1 1 2 0 1 0 1 1 1 0 0 1 0 0 2 1 1 0 1 0
23.000 0 1 0 0 0 0 0 0 2 1 0 0 0 0 0 1 0 0 1 0
24.000 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
25.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
26.000 0 0 0 0 1 1 0 1 0 0 0 0 1 0 0 0 1 0 0 0
27.000 0 2 0 0 1 1 0 0 0 0 1 2 1 1 0 0 0 0 1 0
30.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
31.000 0 0 1 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0
32.000 1 1 1 2 0 1 0 0 1 1 1 0 0 0 0 1 0 0 0 1
33.000 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0
34.000 1 2 1 0 1 0 0 0 0 2 0 1 0 0 1 2 1 0 2 0
35.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
36.000 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0
37.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1
38.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
39.000 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0
40.000 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
50.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
51.000 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0
52.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
53.000 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 1
54.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
55.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
56.000 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 3
57.000 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0
58.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
59.000 0 0 0 0 0 0 0 0 1 1 1 0 0 1 0 1 0 0 0 0
60.000 0 3 1 2 1 0 0 0 0 2 0 1 0 0 1 2 1 0 1 0
61.000 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0
62.000 0 2 1 2 1 0 4 1 1 3 1 3 0 0 1 2 1 0 1 0
#Reported_Model_Average 0.170 0.383 0.213 0.170 0.213 0.128 0.149 0.170 0.234 0.319 0.149 0.234 0.085 0.085 0.191 0.319 0.128 0.000 0.191 0.149
#Overall_Average_Reported 0.184
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2259:M 68 HIS O :M 69 HIS 1HB : -0.506: 0
: 2259:M 150 HIS 1HB :M 149 HIS O : -0.501: 0
: 2259:M 3 ASN 1HB :M 2 ASP O : -0.499: 0
: 2259:M 83 ASP O :M 84 ASN 1HB : -0.496: 0
: 2259:M 127 LEU CB :M 126 ASP O : -0.457: 0
: 2259:M 45 ASP O :M 46 LEU CB : -0.451: 0
: 2259:M 85 ARG HA :M 137 LEU 3HD2 : -0.430: 0
: 2259:M 115 ILE O :M 103 GLU HA : -0.429: 0
: 2259:M 8 SER 1HB :M 89 SER 1HB : -0.418: 0
: 2259:M 4 ARG HA :M 56 LEU 3HD2 : -0.415: 0
: 2259:M 34 ILE O :M 22 GLU HA : -0.413: 0
: 2259:M 122 ILE 1HG1 :M 99 PHE CE1 : -0.411: 0
: 2259:M 7 LEU 1HD1 :M 88 LEU 1HD1 : -0.405: 0
: 2259:M 32 LEU 2HD2 :M 9 LEU 2HD2 : -0.405: 0
: 2259:M 41 ILE 1HG1 :M 18 PHE CE1 : -0.404: 0
#sum2 ::6.64 clashscore : 6.64 clashscore B<40
#summary::2259 atoms:2259 atoms B<40:253101 potential dots:15820.0 A^2:15 bumps:15 bumps B<40:730.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2259:M 108 THR O :M 109 ILE C : -0.528: 0
: 2259:M 109 ILE 2HG2 :M 110 GLN 1HG : -0.463: 0
: 2259:M 108 THR 2HG2 :M 93 VAL 2HG2 : -0.427: 0
: 2259:M 27 THR O :M 28 ILE C : -0.522: 0
: 2259:M 28 ILE 2HG2 :M 29 GLN 1HG : -0.467: 0
: 2259:M 27 THR 2HG2 :M 12 VAL 2HG2 : -0.413: 0
: 2259:M 143 TYR CD2 :M 60 LEU 1HB : -0.519: 0
: 2259:M 23 ILE HB :M 34 ILE HB : -0.479: 0
: 2259:M 60 LEU H :M 143 TYR 1HB : -0.415: 0
: 2259:M 34 ILE 1HG1 :M 60 LEU 2HD2 : -0.410: 0
: 2259:M 62 TYR CD2 :M 141 LEU 1HB : -0.513: 0
: 2259:M 115 ILE HB :M 104 ILE HB : -0.489: 0
: 2259:M 115 ILE 1HG1 :M 141 LEU 2HD2 : -0.410: 0
: 2259:M 141 LEU H :M 62 TYR 1HB : -0.405: 0
: 2259:M 8 SER 1HB :M 89 SER 1HB : -0.466: 0
: 2259:M 61 VAL O :M 32 LEU 2HD1 : -0.432: 0
: 2259:M 142 VAL O :M 113 LEU 2HD1 : -0.426: 0
: 2259:M 22 GLU O :M 19 ASP 2HB : -0.420: 0
: 2259:M 122 ILE 3HG2 :M 123 LYS N : -0.419: 0
: 2259:M 103 GLU O :M 100 ASP 2HB : -0.414: 0
: 2259:M 120 LEU HA :M 120 LEU 2HD1 : -0.414: 0
: 2259:M 114 SER HA :M 105 LEU 3HD2 : -0.412: 0
: 2259:M 41 ILE 3HG2 :M 42 LYS N : -0.408: 0
: 2259:M 33 SER HA :M 24 LEU 3HD2 : -0.407: 0
#sum2 ::10.62 clashscore : 10.62 clashscore B<40
#summary::2259 atoms:2259 atoms B<40:252969 potential dots:15810.0 A^2:24 bumps:24 bumps B<40:757.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2259:M 34 ILE O :M 22 GLU HA : -0.434: 0
: 2259:M 22 GLU O :M 19 ASP 2HB : -0.411: 0
: 2259:M 51 VAL HA :M 43 HIS 1HB : -0.433: 0
: 2259:M 112 VAL O :M 144 PRO 1HD : -0.432: 0
: 2259:M 31 VAL O :M 63 PRO 1HD : -0.426: 0
: 2259:M 115 ILE O :M 103 GLU HA : -0.425: 0
: 2259:M 103 GLU O :M 100 ASP 2HB : -0.408: 0
: 2259:M 132 VAL HA :M 124 HIS 1HB : -0.420: 0
: 2259:M 62 TYR 2HB :M 141 LEU H : -0.408: 0
: 2259:M 32 LEU 2HD2 :M 9 LEU 2HD2 : -0.407: 0
: 2259:M 60 LEU H :M 143 TYR 2HB : -0.406: 0
: 2259:M 113 LEU 2HD2 :M 90 LEU 2HD2 : -0.404: 0
#sum2 ::5.31 clashscore : 5.31 clashscore B<40
#summary::2259 atoms:2259 atoms B<40:252976 potential dots:15810.0 A^2:12 bumps:12 bumps B<40:795.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2259:M 68 HIS HA :M 149 HIS HA : -0.547: 0
: 2259:M 42 LYS 2HD :M 42 LYS C : -0.518: 0
: 2259:M 42 LYS 2HD :M 42 LYS O : -0.505: 0
: 2259:M 123 LYS 2HD :M 123 LYS C : -0.510: 0
: 2259:M 123 LYS O :M 123 LYS 2HD : -0.505: 0
: 2259:M 8 SER 1HB :M 89 SER 1HB : -0.475: 0
: 2259:M 121 GLY O :M 122 ILE HB : -0.455: 0
: 2259:M 40 GLY O :M 41 ILE HB : -0.453: 0
: 2259:M 143 TYR 1HB :M 60 LEU H : -0.452: 0
: 2259:M 141 LEU H :M 62 TYR 1HB : -0.444: 0
: 2259:M 143 TYR CE1 :M 113 LEU 3HD1 : -0.420: 0
: 2259:M 62 TYR CE1 :M 32 LEU 3HD1 : -0.417: 0
: 2259:M 60 LEU 2HB :M 32 LEU 1HD1 : -0.410: 0
: 2259:M 141 LEU 2HB :M 113 LEU 1HD1 : -0.406: 0
: 2259:M 115 ILE HB :M 104 ILE HB : -0.413: 0
#sum2 ::6.64 clashscore : 6.64 clashscore B<40
#summary::2259 atoms:2259 atoms B<40:253145 potential dots:15820.0 A^2:15 bumps:15 bumps B<40:677 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2259:M 8 SER 1HB :M 89 SER 1HB : -0.504: 0
: 2259:M 29 GLN 2HG :M 28 ILE 2HG2 : -0.485: 0
: 2259:M 26 GLU 1HB :M 16 GLN 2HG : -0.483: 0
: 2259:M 109 ILE 2HG2 :M 110 GLN 2HG : -0.478: 0
: 2259:M 97 GLN 2HG :M 107 GLU 1HB : -0.471: 0
: 2259:M 115 ILE O :M 103 GLU HA : -0.461: 0
: 2259:M 31 VAL O :M 63 PRO 1HD : -0.456: 0
: 2259:M 34 ILE O :M 22 GLU HA : -0.454: 0
: 2259:M 151 HIS O :M 152 HIS C : -0.453: 0
: 2259:M 112 VAL O :M 144 PRO 1HD : -0.448: 0
: 2259:M 93 VAL HA :M 108 THR HA : -0.439: 0
: 2259:M 70 HIS O :M 71 HIS C : -0.433: 0
: 2259:M 148 HIS 2HB :M 145 LEU H : -0.433: 0
: 2259:M 12 VAL HA :M 27 THR HA : -0.429: 0
: 2259:M 64 LEU H :M 67 HIS 2HB : -0.424: 0
: 2259:M 62 TYR CB :M 141 LEU H : -0.420: 0
: 2259:M 60 LEU H :M 143 TYR CB : -0.416: 0
#sum2 ::7.53 clashscore : 7.53 clashscore B<40
#summary::2259 atoms:2259 atoms B<40:253071 potential dots:15820.0 A^2:17 bumps:17 bumps B<40:728.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2259:M 146 GLU 2HB :M 145 LEU O : -0.467: 0
: 2259:M 145 LEU O :M 146 GLU CB : -0.412: 0
: 2259:M 109 ILE 2HG2 :M 110 GLN 1HG : -0.455: 0
: 2259:M 109 ILE 3HD1 :M 3 ASN HA : -0.407: 0
: 2259:M 65 GLU 2HB :M 64 LEU O : -0.453: 0
: 2259:M 64 LEU O :M 65 GLU CB : -0.415: 0
: 2259:M 29 GLN 1HG :M 28 ILE 2HG2 : -0.450: 0
: 2259:M 28 ILE 3HD1 :M 84 ASN HA : -0.406: 0
: 2259:M 97 GLN 2HG :M 107 GLU 1HB : -0.448: 0
: 2259:M 113 LEU 2HD2 :M 90 LEU 2HD2 : -0.448: 0
: 2259:M 90 LEU 1HD2 :M 108 THR 1HG2 : -0.432: 0
: 2259:M 26 GLU 1HB :M 16 GLN 2HG : -0.440: 0
: 2259:M 32 LEU 2HD2 :M 9 LEU 2HD2 : -0.439: 0
: 2259:M 9 LEU 1HD2 :M 27 THR 1HG2 : -0.427: 0
#sum2 ::6.20 clashscore : 6.20 clashscore B<40
#summary::2259 atoms:2259 atoms B<40:252928 potential dots:15810.0 A^2:14 bumps:14 bumps B<40:699.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2259:M 62 TYR O :M 62 TYR HD1 : -0.545: 0
: 2259:M 62 TYR CD1 :M 62 TYR C : -0.480: 0
: 2259:M 143 TYR O :M 143 TYR HD1 : -0.534: 0
: 2259:M 143 TYR C :M 143 TYR CD1 : -0.478: 0
: 2259:M 145 LEU H :M 145 LEU 3HD2 : -0.487: 0
: 2259:M 64 LEU 3HD2 :M 64 LEU H : -0.484: 0
: 2259:M 147 HIS 2HB :M 146 GLU O : -0.435: 0
: 2259:M 65 GLU O :M 66 HIS 2HB : -0.426: 0
: 2259:M 70 HIS 2HB :M 69 HIS O : -0.422: 0
: 2259:M 150 HIS O :M 151 HIS 2HB : -0.421: 0
: 2259:M 51 VAL HA :M 43 HIS 1HB : -0.413: 0
: 2259:M 19 ASP 2HB :M 22 GLU O : -0.404: 0
#sum2 ::5.31 clashscore : 5.31 clashscore B<40
#summary::2259 atoms:2259 atoms B<40:253378 potential dots:15840.0 A^2:12 bumps:12 bumps B<40:806.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2259:M 97 GLN 2HG :M 107 GLU 1HB : -0.498: 0
: 2259:M 26 GLU 1HB :M 16 GLN 2HG : -0.492: 0
: 2259:M 7 LEU 1HD1 :M 88 LEU 1HD1 : -0.462: 0
: 2259:M 57 ILE HA :M 36 GLY 2HA : -0.408: 0
: 2259:M 103 GLU O :M 100 ASP 2HB : -0.408: 0
: 2259:M 103 GLU HA :M 115 ILE O : -0.407: 0
: 2259:M 22 GLU O :M 19 ASP 2HB : -0.406: 0
: 2259:M 62 TYR CB :M 141 LEU H : -0.403: 0
: 2259:M 138 ILE HA :M 117 GLY 2HA : -0.400: 0
#sum2 ::3.98 clashscore : 3.98 clashscore B<40
#summary::2259 atoms:2259 atoms B<40:253289 potential dots:15830.0 A^2:9 bumps:9 bumps B<40:746.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2259:M 41 ILE O :M 41 ILE 2HG2 : -0.741: 0
: 2259:M 41 ILE O :M 41 ILE CG2 : -0.479: 0
: 2259:M 41 ILE 2HD1 :M 23 ILE 3HD1 : -0.429: 0
: 2259:M 41 ILE O :M 44 LEU HG : -0.420: 0
: 2259:M 41 ILE CD1 :M 23 ILE 3HD1 : -0.411: 0
: 2259:M 122 ILE O :M 122 ILE 2HG2 : -0.724: 0
: 2259:M 122 ILE O :M 122 ILE CG2 : -0.476: 0
: 2259:M 122 ILE 2HD1 :M 104 ILE 3HD1 : -0.415: 0
: 2259:M 122 ILE O :M 125 LEU HG : -0.408: 0
: 2259:M 104 ILE 3HD1 :M 122 ILE CD1 : -0.401: 0
: 2259:M 140 ALA HA :M 62 TYR 2HB : -0.584: 0
: 2259:M 143 TYR 2HB :M 59 ALA HA : -0.581: 0
: 2259:M 28 ILE 2HG2 :M 29 GLN 2HG : -0.460: 0
: 2259:M 109 ILE 2HG2 :M 110 GLN 2HG : -0.454: 0
: 2259:M 65 GLU 2HG :M 64 LEU 2HD2 : -0.437: 0
: 2259:M 146 GLU 2HG :M 145 LEU 2HD2 : -0.435: 0
: 2259:M 7 LEU 1HD1 :M 88 LEU 1HD1 : -0.428: 0
: 2259:M 66 HIS 1HB :M 63 PRO 2HB : -0.422: 0
: 2259:M 147 HIS 1HB :M 144 PRO 2HB : -0.416: 0
: 2259:M 61 VAL HB :M 33 SER 1HB : -0.412: 0
: 2259:M 114 SER 1HB :M 142 VAL HB : -0.412: 0
: 2259:M 103 GLU O :M 100 ASP 2HB : -0.407: 0
: 2259:M 32 LEU 2HD2 :M 9 LEU 2HD2 : -0.406: 0
: 2259:M 22 GLU O :M 19 ASP 2HB : -0.406: 0
: 2259:M 90 LEU 2HD2 :M 113 LEU 2HD2 : -0.401: 0
#sum2 ::11.07 clashscore : 11.07 clashscore B<40
#summary::2259 atoms:2259 atoms B<40:253213 potential dots:15830.0 A^2:25 bumps:25 bumps B<40:649.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2259:M 8 SER 1HB :M 89 SER 1HB : -0.525: 0
: 2259:M 115 ILE HB :M 104 ILE HB : -0.493: 0
: 2259:M 141 LEU 2HD2 :M 115 ILE 1HG1 : -0.456: 0
: 2259:M 141 LEU 2HD1 :M 62 TYR CE2 : -0.438: 0
: 2259:M 62 TYR 1HB :M 140 ALA HA : -0.435: 0
: 2259:M 62 TYR CE2 :M 32 LEU 3HD1 : -0.430: 0
: 2259:M 23 ILE HB :M 34 ILE HB : -0.488: 0
: 2259:M 34 ILE 1HG1 :M 60 LEU 2HD2 : -0.454: 0
: 2259:M 60 LEU 2HD1 :M 143 TYR CE2 : -0.436: 0
: 2259:M 143 TYR 1HB :M 59 ALA HA : -0.434: 0
: 2259:M 143 TYR CE2 :M 113 LEU 3HD1 : -0.429: 0
: 2259:M 87 PHE 1HB :M 10 THR HB : -0.455: 0
: 2259:M 6 PHE 1HB :M 91 THR HB : -0.447: 0
: 2259:M 39 LEU N :M 39 LEU CD1 : -0.400: 0
#sum2 ::6.20 clashscore : 6.20 clashscore B<40
#summary::2259 atoms:2259 atoms B<40:252716 potential dots:15790.0 A^2:14 bumps:14 bumps B<40:694.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2259:M 59 ALA HA :M 143 TYR 2HB : -0.564: 0
: 2259:M 140 ALA HA :M 62 TYR 2HB : -0.552: 0
: 2259:M 134 VAL 2HG2 :M 122 ILE 1HG1 : -0.475: 0
: 2259:M 53 VAL 2HG2 :M 41 ILE 1HG1 : -0.474: 0
: 2259:M 32 LEU 2HD2 :M 9 LEU 2HD2 : -0.422: 0
: 2259:M 64 LEU 3HD2 :M 64 LEU H : -0.419: 0
: 2259:M 64 LEU O :M 65 GLU C : -0.413: 0
: 2259:M 27 THR 2HG2 :M 12 VAL 2HG2 : -0.415: 0
: 2259:M 145 LEU H :M 145 LEU 3HD2 : -0.413: 0
: 2259:M 145 LEU O :M 146 GLU C : -0.410: 0
: 2259:M 113 LEU 2HD2 :M 90 LEU 2HD2 : -0.409: 0
: 2259:M 108 THR 2HG2 :M 93 VAL 2HG2 : -0.407: 0
#sum2 ::5.31 clashscore : 5.31 clashscore B<40
#summary::2259 atoms:2259 atoms B<40:252977 potential dots:15810.0 A^2:12 bumps:12 bumps B<40:696 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2259:M 109 ILE C :M 108 THR O : -0.569: 0
: 2259:M 93 VAL HA :M 108 THR HA : -0.408: 0
: 2259:M 27 THR O :M 28 ILE C : -0.558: 0
: 2259:M 12 VAL HA :M 27 THR HA : -0.415: 0
: 2259:M 66 HIS 1HB :M 65 GLU O : -0.464: 0
: 2259:M 147 HIS 1HB :M 146 GLU O : -0.464: 0
: 2259:M 141 LEU H :M 62 TYR 2HB : -0.451: 0
: 2259:M 62 TYR O :M 62 TYR HD1 : -0.432: 0
: 2259:M 34 ILE O :M 22 GLU HA : -0.450: 0
: 2259:M 115 ILE O :M 103 GLU HA : -0.449: 0
: 2259:M 143 TYR 2HB :M 60 LEU H : -0.443: 0
: 2259:M 143 TYR O :M 143 TYR HD1 : -0.440: 0
: 2259:M 137 LEU HA :M 84 ASN O : -0.436: 0
: 2259:M 3 ASN O :M 56 LEU HA : -0.428: 0
: 2259:M 31 VAL O :M 63 PRO 1HD : -0.418: 0
: 2259:M 144 PRO 1HD :M 112 VAL O : -0.403: 0
#sum2 ::7.08 clashscore : 7.08 clashscore B<40
#summary::2259 atoms:2259 atoms B<40:253106 potential dots:15820.0 A^2:16 bumps:16 bumps B<40:754.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2259:M 97 GLN 2HG :M 107 GLU 1HB : -0.513: 0
: 2259:M 26 GLU 1HB :M 16 GLN 2HG : -0.494: 0
: 2259:M 123 LYS 1HB :M 122 ILE O : -0.464: 0
: 2259:M 134 VAL 2HG2 :M 122 ILE 1HG1 : -0.411: 0
: 2259:M 41 ILE O :M 42 LYS 1HB : -0.462: 0
: 2259:M 53 VAL 2HG2 :M 41 ILE 1HG1 : -0.413: 0
: 2259:M 149 HIS 1HB :M 148 HIS O : -0.452: 0
: 2259:M 70 HIS 2HB :M 69 HIS O : -0.450: 0
: 2259:M 150 HIS O :M 151 HIS 2HB : -0.446: 0
: 2259:M 67 HIS O :M 68 HIS 1HB : -0.442: 0
: 2259:M 27 THR O :M 29 GLN N : -0.432: 0
: 2259:M 110 GLN N :M 108 THR O : -0.430: 0
#sum2 ::5.31 clashscore : 5.31 clashscore B<40
#summary::2259 atoms:2259 atoms B<40:253039 potential dots:15810.0 A^2:12 bumps:12 bumps B<40:755.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2259:M 7 LEU 1HD1 :M 88 LEU 1HD1 : -0.462: 0
: 2259:M 93 VAL HA :M 108 THR HA : -0.445: 0
: 2259:M 64 LEU 3HD2 :M 64 LEU C : -0.443: 0
: 2259:M 140 ALA 2HB :M 64 LEU HA : -0.434: 0
: 2259:M 145 LEU 3HD2 :M 145 LEU C : -0.439: 0
: 2259:M 59 ALA 2HB :M 145 LEU HA : -0.430: 0
: 2259:M 12 VAL HA :M 27 THR HA : -0.438: 0
: 2259:M 131 GLN HA :M 91 THR HA : -0.404: 0
#sum2 ::3.54 clashscore : 3.54 clashscore B<40
#summary::2259 atoms:2259 atoms B<40:253183 potential dots:15820.0 A^2:8 bumps:8 bumps B<40:759.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2259:M 87 PHE 1HB :M 10 THR HB : -0.509: 0
: 2259:M 6 PHE 1HB :M 91 THR HB : -0.505: 0
: 2259:M 123 LYS O :M 124 HIS 1HB : -0.482: 0
: 2259:M 43 HIS 1HB :M 42 LYS O : -0.482: 0
: 2259:M 43 HIS CG :M 43 HIS O : -0.453: 0
: 2259:M 124 HIS O :M 124 HIS CG : -0.432: 0
: 2259:M 42 LYS O :M 43 HIS CB : -0.416: 0
: 2259:M 123 LYS O :M 124 HIS CB : -0.413: 0
: 2259:M 34 ILE O :M 22 GLU HA : -0.469: 0
: 2259:M 22 GLU O :M 19 ASP 2HB : -0.426: 0
: 2259:M 8 SER 1HB :M 89 SER 1HB : -0.468: 0
: 2259:M 115 ILE O :M 103 GLU HA : -0.467: 0
: 2259:M 103 GLU O :M 100 ASP 2HB : -0.436: 0
: 2259:M 62 TYR CB :M 141 LEU H : -0.423: 0
: 2259:M 60 LEU H :M 143 TYR CB : -0.413: 0
#sum2 ::6.64 clashscore : 6.64 clashscore B<40
#summary::2259 atoms:2259 atoms B<40:253000 potential dots:15810.0 A^2:15 bumps:15 bumps B<40:803.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2259:M 8 SER 1HB :M 89 SER 1HB : -0.483: 0
: 2259:M 141 LEU H :M 62 TYR 2HB : -0.472: 0
: 2259:M 141 LEU 2HD1 :M 32 LEU 3HD1 : -0.419: 0
: 2259:M 140 ALA HA :M 62 TYR CD1 : -0.410: 0
: 2259:M 143 TYR 2HB :M 60 LEU H : -0.469: 0
: 2259:M 59 ALA HA :M 143 TYR CD1 : -0.416: 0
: 2259:M 113 LEU 3HD1 :M 60 LEU 2HD1 : -0.412: 0
: 2259:M 91 THR HB :M 6 PHE 2HB : -0.455: 0
: 2259:M 87 PHE 2HB :M 10 THR HB : -0.455: 0
: 2259:M 34 ILE O :M 22 GLU HA : -0.438: 0
: 2259:M 23 ILE HB :M 34 ILE HB : -0.412: 0
: 2259:M 115 ILE O :M 103 GLU HA : -0.426: 0
: 2259:M 115 ILE HB :M 104 ILE HB : -0.413: 0
: 2259:M 5 GLN 1HB :M 57 ILE 1HG1 : -0.424: 0
: 2259:M 86 GLN 1HB :M 138 ILE 1HG1 : -0.423: 0
#sum2 ::6.64 clashscore : 6.64 clashscore B<40
#summary::2259 atoms:2259 atoms B<40:253169 potential dots:15820.0 A^2:15 bumps:15 bumps B<40:812.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2259:M 97 GLN 2HG :M 107 GLU 1HB : -0.459: 0
: 2259:M 26 GLU 1HB :M 16 GLN 2HG : -0.438: 0
: 2259:M 115 ILE O :M 103 GLU HA : -0.412: 0
: 2259:M 34 ILE O :M 22 GLU HA : -0.412: 0
: 2259:M 143 TYR 2HB :M 60 LEU H : -0.406: 0
: 2259:M 62 TYR 2HB :M 141 LEU H : -0.401: 0
#sum2 ::2.66 clashscore : 2.66 clashscore B<40
#summary::2259 atoms:2259 atoms B<40:253023 potential dots:15810.0 A^2:6 bumps:6 bumps B<40:728.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2259:M 100 ASP 2HB :M 103 GLU O : -0.405: 0
#sum2 ::0.44 clashscore : 0.44 clashscore B<40
#summary::2259 atoms:2259 atoms B<40:252971 potential dots:15810.0 A^2:1 bumps:1 bumps B<40:752.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2259:M 51 VAL HA :M 43 HIS 1HB : -0.520: 0
: 2259:M 132 VAL HA :M 124 HIS 1HB : -0.506: 0
: 2259:M 23 ILE HB :M 34 ILE HB : -0.428: 0
: 2259:M 34 ILE O :M 22 GLU HA : -0.416: 0
: 2259:M 62 TYR 2HB :M 141 LEU N : -0.427: 0
: 2259:M 143 TYR 2HB :M 60 LEU N : -0.425: 0
: 2259:M 115 ILE HB :M 104 ILE HB : -0.421: 0
: 2259:M 103 GLU HA :M 115 ILE O : -0.415: 0
: 2259:M 27 THR 2HG2 :M 12 VAL 2HG2 : -0.412: 0
: 2259:M 108 THR 2HG2 :M 93 VAL 2HG2 : -0.404: 0
#sum2 ::4.43 clashscore : 4.43 clashscore B<40
#summary::2259 atoms:2259 atoms B<40:253066 potential dots:15820.0 A^2:10 bumps:10 bumps B<40:822.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2259:M 137 LEU N :M 137 LEU 2HD1 : -0.511: 0
: 2259:M 137 LEU 1HB :M 118 GLU CG : -0.410: 0
: 2259:M 56 LEU 2HD1 :M 56 LEU N : -0.510: 0
: 2259:M 56 LEU 1HB :M 37 GLU CG : -0.415: 0
: 2259:M 41 ILE 1HG1 :M 53 VAL HA : -0.435: 0
: 2259:M 134 VAL HA :M 122 ILE 1HG1 : -0.429: 0
: 2259:M 113 LEU 2HD2 :M 90 LEU 2HD2 : -0.418: 0
: 2259:M 32 LEU 2HD2 :M 9 LEU 2HD2 : -0.405: 0
#sum2 ::3.54 clashscore : 3.54 clashscore B<40
#summary::2259 atoms:2259 atoms B<40:252989 potential dots:15810.0 A^2:8 bumps:8 bumps B<40:774.1 score
Output from PDB validation software
Summary from PDB validation
May. 14, 14:15:18 2013
[ Text modified to reflect that this was run under PSVS - Aneerban Bhattacharya: Dec 2005 ]
The following checks were made on :
-----------------------------------------
CLOSE CONTACTS
==> Distances smaller than 2.2 Angstroms are considered as close contacts
for heavy atoms, 1.6 Angstroms for hydrogens.
none
DISTANCES AND ANGLES
We have checked your intra and intermolecular distances and angles with the
procedures currently in place at PDB:
==> Bond and angle checks are performed by first computing the average rms
error for all bonds and angles relative to standard values for nucleotide
units [L. Clowney et al., Geometric Parameters in Nucleic Acids: Nitrogenous
Bases, J.Am.Chem.Soc. 1996, 118, 509-518; A. Gelbin et al., Geometric
Parameters in Nucleic Acids: Sugar and Phosphate Constituents, J.Am.Chem.Soc.
1996, 118, 519-529] and amino acid units [R.A. Engh and R. Huber, Accurate
Bond and Angle Parameters for X-ray protein structure refinement, Acta
Crystallogr. 1991, A47, 392-400]. Any bond or angle which deviates from the
dictionary values by more than six times this computed rms error is
identified as an outlier.
*** Covalent Bond Lengths:
The RMS deviation for covalent bonds relative to the standard
dictionary is 0.009 Angstroms
All covalent bonds lie within a 6.0*RMSD range about the
standard dictionary values.
*** Covalent Angle Values:
The RMS deviation for covalent angles relative to the standard
dictionary is 0.6 degrees.
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
--------------------------------------------------------------------------------
-4.4 HIS A 66 1 N - CA - C 106.8 111.2
-4.4 HIS B 66 1 N - CA - C 106.8 111.2
-3.9 TYR A 62 10 N - CA - C 107.3 111.2
-3.9 TYR B 62 10 N - CA - C 107.3 111.2
-4.0 LEU A 44 16 N - CA - C 107.2 111.2
-4.0 LEU B 44 16 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 3 1HD2
1 A ASN 3 2HD2
1 A GLN 5 1HE2
1 A GLN 5 2HE2
1 A GLN 16 1HE2
1 A GLN 16 2HE2
1 A GLN 29 1HE2
1 A GLN 29 2HE2
1 A GLN 50 1HE2
1 A GLN 50 2HE2
1 B ASN 3 1HD2
1 B ASN 3 2HD2
1 B GLN 5 1HE2
1 B GLN 5 2HE2
1 B GLN 16 1HE2
1 B GLN 16 2HE2
1 B GLN 29 1HE2
1 B GLN 29 2HE2
1 B GLN 50 1HE2
1 B GLN 50 2HE2
2 A ASN 3 1HD2
2 A ASN 3 2HD2
2 A GLN 5 1HE2
2 A GLN 5 2HE2
2 A GLN 16 1HE2
2 A GLN 16 2HE2
2 A GLN 29 1HE2
2 A GLN 29 2HE2
2 A GLN 50 1HE2
2 A GLN 50 2HE2
2 B ASN 3 1HD2
2 B ASN 3 2HD2
2 B GLN 5 1HE2
2 B GLN 5 2HE2
2 B GLN 16 1HE2
2 B GLN 16 2HE2
2 B GLN 29 1HE2
2 B GLN 29 2HE2
2 B GLN 50 1HE2
2 B GLN 50 2HE2
3 A ASN 3 1HD2
3 A ASN 3 2HD2
3 A GLN 5 1HE2
3 A GLN 5 2HE2
3 A GLN 16 1HE2
3 A GLN 16 2HE2
3 A GLN 29 1HE2
3 A GLN 29 2HE2
3 A GLN 50 1HE2
3 A GLN 50 2HE2
3 B ASN 3 1HD2
3 B ASN 3 2HD2
3 B GLN 5 1HE2
3 B GLN 5 2HE2
3 B GLN 16 1HE2
3 B GLN 16 2HE2
3 B GLN 29 1HE2
3 B GLN 29 2HE2
3 B GLN 50 1HE2
3 B GLN 50 2HE2
4 A ASN 3 1HD2
4 A ASN 3 2HD2
4 A GLN 5 1HE2
4 A GLN 5 2HE2
4 A GLN 16 1HE2
4 A GLN 16 2HE2
4 A GLN 29 1HE2
4 A GLN 29 2HE2
4 A GLN 50 1HE2
4 A GLN 50 2HE2
4 B ASN 3 1HD2
4 B ASN 3 2HD2
4 B GLN 5 1HE2
4 B GLN 5 2HE2
4 B GLN 16 1HE2
4 B GLN 16 2HE2
4 B GLN 29 1HE2
4 B GLN 29 2HE2
4 B GLN 50 1HE2
4 B GLN 50 2HE2
5 A ASN 3 1HD2
5 A ASN 3 2HD2
5 A GLN 5 1HE2
5 A GLN 5 2HE2
5 A GLN 16 1HE2
5 A GLN 16 2HE2
5 A GLN 29 1HE2
5 A GLN 29 2HE2
5 A GLN 50 1HE2
5 A GLN 50 2HE2
5 B ASN 3 1HD2
5 B ASN 3 2HD2
5 B GLN 5 1HE2
5 B GLN 5 2HE2
5 B GLN 16 1HE2
5 B GLN 16 2HE2
5 B GLN 29 1HE2
5 B GLN 29 2HE2
5 B GLN 50 1HE2
5 B GLN 50 2HE2
6 A ASN 3 1HD2
6 A ASN 3 2HD2
6 A GLN 5 1HE2
6 A GLN 5 2HE2
6 A GLN 16 1HE2
6 A GLN 16 2HE2
6 A GLN 29 1HE2
6 A GLN 29 2HE2
6 A GLN 50 1HE2
6 A GLN 50 2HE2
6 B ASN 3 1HD2
6 B ASN 3 2HD2
6 B GLN 5 1HE2
6 B GLN 5 2HE2
6 B GLN 16 1HE2
6 B GLN 16 2HE2
6 B GLN 29 1HE2
6 B GLN 29 2HE2
6 B GLN 50 1HE2
6 B GLN 50 2HE2
7 A ASN 3 1HD2
7 A ASN 3 2HD2
7 A GLN 5 1HE2
7 A GLN 5 2HE2
7 A GLN 16 1HE2
7 A GLN 16 2HE2
7 A GLN 29 1HE2
7 A GLN 29 2HE2
7 A GLN 50 1HE2
7 A GLN 50 2HE2
7 B ASN 3 1HD2
7 B ASN 3 2HD2
7 B GLN 5 1HE2
7 B GLN 5 2HE2
7 B GLN 16 1HE2
7 B GLN 16 2HE2
7 B GLN 29 1HE2
7 B GLN 29 2HE2
7 B GLN 50 1HE2
7 B GLN 50 2HE2
8 A ASN 3 1HD2
8 A ASN 3 2HD2
8 A GLN 5 1HE2
8 A GLN 5 2HE2
8 A GLN 16 1HE2
8 A GLN 16 2HE2
8 A GLN 29 1HE2
8 A GLN 29 2HE2
8 A GLN 50 1HE2
8 A GLN 50 2HE2
8 B ASN 3 1HD2
8 B ASN 3 2HD2
8 B GLN 5 1HE2
8 B GLN 5 2HE2
8 B GLN 16 1HE2
8 B GLN 16 2HE2
8 B GLN 29 1HE2
8 B GLN 29 2HE2
8 B GLN 50 1HE2
8 B GLN 50 2HE2
9 A ASN 3 1HD2
9 A ASN 3 2HD2
9 A GLN 5 1HE2
9 A GLN 5 2HE2
9 A GLN 16 1HE2
9 A GLN 16 2HE2
9 A GLN 29 1HE2
9 A GLN 29 2HE2
9 A GLN 50 1HE2
9 A GLN 50 2HE2
9 B ASN 3 1HD2
9 B ASN 3 2HD2
9 B GLN 5 1HE2
9 B GLN 5 2HE2
9 B GLN 16 1HE2
9 B GLN 16 2HE2
9 B GLN 29 1HE2
9 B GLN 29 2HE2
9 B GLN 50 1HE2
9 B GLN 50 2HE2
10 A ASN 3 1HD2
10 A ASN 3 2HD2
10 A GLN 5 1HE2
10 A GLN 5 2HE2
10 A GLN 16 1HE2
10 A GLN 16 2HE2
10 A GLN 29 1HE2
10 A GLN 29 2HE2
10 A GLN 50 1HE2
10 A GLN 50 2HE2
10 B ASN 3 1HD2
10 B ASN 3 2HD2
10 B GLN 5 1HE2
10 B GLN 5 2HE2
10 B GLN 16 1HE2
10 B GLN 16 2HE2
10 B GLN 29 1HE2
10 B GLN 29 2HE2
10 B GLN 50 1HE2
10 B GLN 50 2HE2
11 A ASN 3 1HD2
11 A ASN 3 2HD2
11 A GLN 5 1HE2
11 A GLN 5 2HE2
11 A GLN 16 1HE2
11 A GLN 16 2HE2
11 A GLN 29 1HE2
11 A GLN 29 2HE2
11 A GLN 50 1HE2
11 A GLN 50 2HE2
11 B ASN 3 1HD2
11 B ASN 3 2HD2
11 B GLN 5 1HE2
11 B GLN 5 2HE2
11 B GLN 16 1HE2
11 B GLN 16 2HE2
11 B GLN 29 1HE2
11 B GLN 29 2HE2
11 B GLN 50 1HE2
11 B GLN 50 2HE2
12 A ASN 3 1HD2
12 A ASN 3 2HD2
12 A GLN 5 1HE2
12 A GLN 5 2HE2
12 A GLN 16 1HE2
12 A GLN 16 2HE2
12 A GLN 29 1HE2
12 A GLN 29 2HE2
12 A GLN 50 1HE2
12 A GLN 50 2HE2
12 B ASN 3 1HD2
12 B ASN 3 2HD2
12 B GLN 5 1HE2
12 B GLN 5 2HE2
12 B GLN 16 1HE2
12 B GLN 16 2HE2
12 B GLN 29 1HE2
12 B GLN 29 2HE2
12 B GLN 50 1HE2
12 B GLN 50 2HE2
13 A ASN 3 1HD2
13 A ASN 3 2HD2
13 A GLN 5 1HE2
13 A GLN 5 2HE2
13 A GLN 16 1HE2
13 A GLN 16 2HE2
13 A GLN 29 1HE2
13 A GLN 29 2HE2
13 A GLN 50 1HE2
13 A GLN 50 2HE2
13 B ASN 3 1HD2
13 B ASN 3 2HD2
13 B GLN 5 1HE2
13 B GLN 5 2HE2
13 B GLN 16 1HE2
13 B GLN 16 2HE2
13 B GLN 29 1HE2
13 B GLN 29 2HE2
13 B GLN 50 1HE2
13 B GLN 50 2HE2
14 A ASN 3 1HD2
14 A ASN 3 2HD2
14 A GLN 5 1HE2
14 A GLN 5 2HE2
14 A GLN 16 1HE2
14 A GLN 16 2HE2
14 A GLN 29 1HE2
14 A GLN 29 2HE2
14 A GLN 50 1HE2
14 A GLN 50 2HE2
14 B ASN 3 1HD2
14 B ASN 3 2HD2
14 B GLN 5 1HE2
14 B GLN 5 2HE2
14 B GLN 16 1HE2
14 B GLN 16 2HE2
14 B GLN 29 1HE2
14 B GLN 29 2HE2
14 B GLN 50 1HE2
14 B GLN 50 2HE2
15 A ASN 3 1HD2
15 A ASN 3 2HD2
15 A GLN 5 1HE2
15 A GLN 5 2HE2
15 A GLN 16 1HE2
15 A GLN 16 2HE2
15 A GLN 29 1HE2
15 A GLN 29 2HE2
15 A GLN 50 1HE2
15 A GLN 50 2HE2
15 B ASN 3 1HD2
15 B ASN 3 2HD2
15 B GLN 5 1HE2
15 B GLN 5 2HE2
15 B GLN 16 1HE2
15 B GLN 16 2HE2
15 B GLN 29 1HE2
15 B GLN 29 2HE2
15 B GLN 50 1HE2
15 B GLN 50 2HE2
16 A ASN 3 1HD2
16 A ASN 3 2HD2
16 A GLN 5 1HE2
16 A GLN 5 2HE2
16 A GLN 16 1HE2
16 A GLN 16 2HE2
16 A GLN 29 1HE2
16 A GLN 29 2HE2
16 A GLN 50 1HE2
16 A GLN 50 2HE2
16 B ASN 3 1HD2
16 B ASN 3 2HD2
16 B GLN 5 1HE2
16 B GLN 5 2HE2
16 B GLN 16 1HE2
16 B GLN 16 2HE2
16 B GLN 29 1HE2
16 B GLN 29 2HE2
16 B GLN 50 1HE2
16 B GLN 50 2HE2
17 A ASN 3 1HD2
17 A ASN 3 2HD2
17 A GLN 5 1HE2
17 A GLN 5 2HE2
17 A GLN 16 1HE2
17 A GLN 16 2HE2
17 A GLN 29 1HE2
17 A GLN 29 2HE2
17 A GLN 50 1HE2
17 A GLN 50 2HE2
17 B ASN 3 1HD2
17 B ASN 3 2HD2
17 B GLN 5 1HE2
17 B GLN 5 2HE2
17 B GLN 16 1HE2
17 B GLN 16 2HE2
17 B GLN 29 1HE2
17 B GLN 29 2HE2
17 B GLN 50 1HE2
17 B GLN 50 2HE2
18 A ASN 3 1HD2
18 A ASN 3 2HD2
18 A GLN 5 1HE2
18 A GLN 5 2HE2
18 A GLN 16 1HE2
18 A GLN 16 2HE2
18 A GLN 29 1HE2
18 A GLN 29 2HE2
18 A GLN 50 1HE2
18 A GLN 50 2HE2
18 B ASN 3 1HD2
18 B ASN 3 2HD2
18 B GLN 5 1HE2
18 B GLN 5 2HE2
18 B GLN 16 1HE2
18 B GLN 16 2HE2
18 B GLN 29 1HE2
18 B GLN 29 2HE2
18 B GLN 50 1HE2
18 B GLN 50 2HE2
19 A ASN 3 1HD2
19 A ASN 3 2HD2
19 A GLN 5 1HE2
19 A GLN 5 2HE2
19 A GLN 16 1HE2
19 A GLN 16 2HE2
19 A GLN 29 1HE2
19 A GLN 29 2HE2
19 A GLN 50 1HE2
19 A GLN 50 2HE2
19 B ASN 3 1HD2
19 B ASN 3 2HD2
19 B GLN 5 1HE2
19 B GLN 5 2HE2
19 B GLN 16 1HE2
19 B GLN 16 2HE2
19 B GLN 29 1HE2
19 B GLN 29 2HE2
19 B GLN 50 1HE2
19 B GLN 50 2HE2
20 A ASN 3 1HD2
20 A ASN 3 2HD2
20 A GLN 5 1HE2
20 A GLN 5 2HE2
20 A GLN 16 1HE2
20 A GLN 16 2HE2
20 A GLN 29 1HE2
20 A GLN 29 2HE2
20 A GLN 50 1HE2
20 A GLN 50 2HE2
20 B ASN 3 1HD2
20 B ASN 3 2HD2
20 B GLN 5 1HE2
20 B GLN 5 2HE2
20 B GLN 16 1HE2
20 B GLN 16 2HE2
20 B GLN 29 1HE2
20 B GLN 29 2HE2
20 B GLN 50 1HE2
20 B GLN 50 2HE2
OTHER IMPORTANT ISSUES
==> The following residues have missing atoms:
RES MOD#C SEQ ATOMS
ASP( 1 A 2) HD2
ASP( 1 A 19) HD2
GLU( 1 A 22) HE2
GLU( 1 A 26) HE2
GLU( 1 A 37) HE2
HIS( 1 A 43) HD1
ASP( 1 A 45) HD2
GLU( 1 A 52) HE2
GLU( 1 A 54) HE2
ASP( 1 A 58) HD2
GLU( 1 A 65) HE2
HIS( 1 A 66) HE2
HIS( 1 A 67) HD1
HIS( 1 A 68) HD1
HIS( 1 A 69) HD1
HIS( 1 A 70) HE2
HIS( 1 A 71) HE2
ASP( 1 B 2) HD2
ASP( 1 B 19) HD2
GLU( 1 B 22) HE2
GLU( 1 B 26) HE2
GLU( 1 B 37) HE2
HIS( 1 B 43) HD1
ASP( 1 B 45) HD2
GLU( 1 B 52) HE2
GLU( 1 B 54) HE2
ASP( 1 B 58) HD2
GLU( 1 B 65) HE2
HIS( 1 B 66) HE2
HIS( 1 B 67) HD1
HIS( 1 B 68) HD1
HIS( 1 B 69) HD1
HIS( 1 B 70) HE2
HIS( 1 B 71) HE2
ASP( 2 A 2) HD2
ASP( 2 A 19) HD2
GLU( 2 A 22) HE2
GLU( 2 A 26) HE2
GLU( 2 A 37) HE2
HIS( 2 A 43) HD1
ASP( 2 A 45) HD2
GLU( 2 A 52) HE2
GLU( 2 A 54) HE2
ASP( 2 A 58) HD2
GLU( 2 A 65) HE2
HIS( 2 A 66) HE2
HIS( 2 A 67) HD1
HIS( 2 A 68) HD1
HIS( 2 A 69) HD1
HIS( 2 A 70) HD1
HIS( 2 A 71) HE2
ASP( 2 B 2) HD2
ASP( 2 B 19) HD2
GLU( 2 B 22) HE2
GLU( 2 B 26) HE2
GLU( 2 B 37) HE2
HIS( 2 B 43) HD1
ASP( 2 B 45) HD2
GLU( 2 B 52) HE2
GLU( 2 B 54) HE2
ASP( 2 B 58) HD2
GLU( 2 B 65) HE2
HIS( 2 B 66) HE2
HIS( 2 B 67) HD1
HIS( 2 B 68) HD1
HIS( 2 B 69) HD1
HIS( 2 B 70) HD1
HIS( 2 B 71) HE2
ASP( 3 A 2) HD2
ASP( 3 A 19) HD2
GLU( 3 A 22) HE2
GLU( 3 A 26) HE2
GLU( 3 A 37) HE2
HIS( 3 A 43) HD1
ASP( 3 A 45) HD2
GLU( 3 A 52) HE2
GLU( 3 A 54) HE2
ASP( 3 A 58) HD2
GLU( 3 A 65) HE2
HIS( 3 A 66) HE2
HIS( 3 A 67) HE2
HIS( 3 A 68) HE2
HIS( 3 A 69) HE2
HIS( 3 A 70) HE2
HIS( 3 A 71) HE2
ASP( 3 B 2) HD2
ASP( 3 B 19) HD2
GLU( 3 B 22) HE2
GLU( 3 B 26) HE2
GLU( 3 B 37) HE2
HIS( 3 B 43) HD1
ASP( 3 B 45) HD2
GLU( 3 B 52) HE2
GLU( 3 B 54) HE2
ASP( 3 B 58) HD2
GLU( 3 B 65) HE2
HIS( 3 B 66) HE2
HIS( 3 B 67) HE2
HIS( 3 B 68) HE2
HIS( 3 B 69) HE2
HIS( 3 B 70) HE2
HIS( 3 B 71) HE2
ASP( 4 A 2) HD2
ASP( 4 A 19) HD2
GLU( 4 A 22) HE2
GLU( 4 A 26) HE2
GLU( 4 A 37) HE2
HIS( 4 A 43) HD1
ASP( 4 A 45) HD2
GLU( 4 A 52) HE2
GLU( 4 A 54) HE2
ASP( 4 A 58) HD2
GLU( 4 A 65) HE2
HIS( 4 A 66) HD1
HIS( 4 A 67) HE2
HIS( 4 A 68) HE2
HIS( 4 A 69) HE2
HIS( 4 A 70) HD1
HIS( 4 A 71) HD1
ASP( 4 B 2) HD2
ASP( 4 B 19) HD2
GLU( 4 B 22) HE2
GLU( 4 B 26) HE2
GLU( 4 B 37) HE2
HIS( 4 B 43) HD1
ASP( 4 B 45) HD2
GLU( 4 B 52) HE2
GLU( 4 B 54) HE2
ASP( 4 B 58) HD2
GLU( 4 B 65) HE2
HIS( 4 B 66) HD1
HIS( 4 B 67) HE2
HIS( 4 B 68) HE2
HIS( 4 B 69) HE2
HIS( 4 B 70) HD1
HIS( 4 B 71) HD1
ASP( 5 A 2) HD2
ASP( 5 A 19) HD2
GLU( 5 A 22) HE2
GLU( 5 A 26) HE2
GLU( 5 A 37) HE2
HIS( 5 A 43) HD1
ASP( 5 A 45) HD2
GLU( 5 A 52) HE2
GLU( 5 A 54) HE2
ASP( 5 A 58) HD2
GLU( 5 A 65) HE2
HIS( 5 A 66) HE2
HIS( 5 A 67) HE2
HIS( 5 A 68) HD1
HIS( 5 A 69) HE2
HIS( 5 A 70) HD1
HIS( 5 A 71) HE2
ASP( 5 B 2) HD2
ASP( 5 B 19) HD2
GLU( 5 B 22) HE2
GLU( 5 B 26) HE2
GLU( 5 B 37) HE2
HIS( 5 B 43) HD1
ASP( 5 B 45) HD2
GLU( 5 B 52) HE2
GLU( 5 B 54) HE2
ASP( 5 B 58) HD2
GLU( 5 B 65) HE2
HIS( 5 B 66) HE2
HIS( 5 B 67) HE2
HIS( 5 B 68) HD1
HIS( 5 B 69) HE2
HIS( 5 B 70) HD1
HIS( 5 B 71) HE2
ASP( 6 A 2) HD2
ASP( 6 A 19) HD2
GLU( 6 A 22) HE2
GLU( 6 A 26) HE2
GLU( 6 A 37) HE2
HIS( 6 A 43) HD1
ASP( 6 A 45) HD2
GLU( 6 A 52) HE2
GLU( 6 A 54) HE2
ASP( 6 A 58) HD2
GLU( 6 A 65) HE2
HIS( 6 A 66) HE2
HIS( 6 A 67) HD1
HIS( 6 A 68) HE2
HIS( 6 A 69) HE2
HIS( 6 A 70) HE2
HIS( 6 A 71) HE2
ASP( 6 B 2) HD2
ASP( 6 B 19) HD2
GLU( 6 B 22) HE2
GLU( 6 B 26) HE2
GLU( 6 B 37) HE2
HIS( 6 B 43) HD1
ASP( 6 B 45) HD2
GLU( 6 B 52) HE2
GLU( 6 B 54) HE2
ASP( 6 B 58) HD2
GLU( 6 B 65) HE2
HIS( 6 B 66) HE2
HIS( 6 B 67) HD1
HIS( 6 B 68) HE2
HIS( 6 B 69) HE2
HIS( 6 B 70) HE2
HIS( 6 B 71) HE2
ASP( 7 A 2) HD2
ASP( 7 A 19) HD2
GLU( 7 A 22) HE2
GLU( 7 A 26) HE2
GLU( 7 A 37) HE2
HIS( 7 A 43) HD1
ASP( 7 A 45) HD2
GLU( 7 A 52) HE2
GLU( 7 A 54) HE2
ASP( 7 A 58) HD2
GLU( 7 A 65) HE2
HIS( 7 A 66) HD1
HIS( 7 A 67) HE2
HIS( 7 A 68) HE2
HIS( 7 A 69) HD1
HIS( 7 A 70) HD1
HIS( 7 A 71) HD1
ASP( 7 B 2) HD2
ASP( 7 B 19) HD2
GLU( 7 B 22) HE2
GLU( 7 B 26) HE2
GLU( 7 B 37) HE2
HIS( 7 B 43) HD1
ASP( 7 B 45) HD2
GLU( 7 B 52) HE2
GLU( 7 B 54) HE2
ASP( 7 B 58) HD2
GLU( 7 B 65) HE2
HIS( 7 B 66) HD1
HIS( 7 B 67) HE2
HIS( 7 B 68) HE2
HIS( 7 B 69) HD1
HIS( 7 B 70) HD1
HIS( 7 B 71) HD1
ASP( 8 A 2) HD2
ASP( 8 A 19) HD2
GLU( 8 A 22) HE2
GLU( 8 A 26) HE2
GLU( 8 A 37) HE2
HIS( 8 A 43) HD1
ASP( 8 A 45) HD2
GLU( 8 A 52) HE2
GLU( 8 A 54) HE2
ASP( 8 A 58) HD2
GLU( 8 A 65) HE2
HIS( 8 A 66) HE2
HIS( 8 A 67) HD1
HIS( 8 A 68) HD1
HIS( 8 A 69) HD1
HIS( 8 A 70) HD1
HIS( 8 A 71) HD1
ASP( 8 B 2) HD2
ASP( 8 B 19) HD2
GLU( 8 B 22) HE2
GLU( 8 B 26) HE2
GLU( 8 B 37) HE2
HIS( 8 B 43) HD1
ASP( 8 B 45) HD2
GLU( 8 B 52) HE2
GLU( 8 B 54) HE2
ASP( 8 B 58) HD2
GLU( 8 B 65) HE2
HIS( 8 B 66) HE2
HIS( 8 B 67) HD1
HIS( 8 B 68) HD1
HIS( 8 B 69) HD1
HIS( 8 B 70) HD1
HIS( 8 B 71) HD1
ASP( 9 A 2) HD2
ASP( 9 A 19) HD2
GLU( 9 A 22) HE2
GLU( 9 A 26) HE2
GLU( 9 A 37) HE2
HIS( 9 A 43) HD1
ASP( 9 A 45) HD2
GLU( 9 A 52) HE2
GLU( 9 A 54) HE2
ASP( 9 A 58) HD2
GLU( 9 A 65) HE2
HIS( 9 A 66) HD1
HIS( 9 A 67) HD1
HIS( 9 A 68) HE2
HIS( 9 A 69) HD1
HIS( 9 A 70) HE2
HIS( 9 A 71) HE2
ASP( 9 B 2) HD2
ASP( 9 B 19) HD2
GLU( 9 B 22) HE2
GLU( 9 B 26) HE2
GLU( 9 B 37) HE2
HIS( 9 B 43) HD1
ASP( 9 B 45) HD2
GLU( 9 B 52) HE2
GLU( 9 B 54) HE2
ASP( 9 B 58) HD2
GLU( 9 B 65) HE2
HIS( 9 B 66) HD1
HIS( 9 B 67) HD1
HIS( 9 B 68) HE2
HIS( 9 B 69) HD1
HIS( 9 B 70) HE2
HIS( 9 B 71) HE2
ASP( 10 A 2) HD2
ASP( 10 A 19) HD2
GLU( 10 A 22) HE2
GLU( 10 A 26) HE2
GLU( 10 A 37) HE2
HIS( 10 A 43) HD1
ASP( 10 A 45) HD2
GLU( 10 A 52) HE2
GLU( 10 A 54) HE2
ASP( 10 A 58) HD2
GLU( 10 A 65) HE2
HIS( 10 A 66) HE2
HIS( 10 A 67) HD1
HIS( 10 A 68) HD1
HIS( 10 A 69) HD1
HIS( 10 A 70) HD1
HIS( 10 A 71) HE2
ASP( 10 B 2) HD2
ASP( 10 B 19) HD2
GLU( 10 B 22) HE2
GLU( 10 B 26) HE2
GLU( 10 B 37) HE2
HIS( 10 B 43) HD1
ASP( 10 B 45) HD2
GLU( 10 B 52) HE2
GLU( 10 B 54) HE2
ASP( 10 B 58) HD2
GLU( 10 B 65) HE2
HIS( 10 B 66) HE2
HIS( 10 B 67) HD1
HIS( 10 B 68) HD1
HIS( 10 B 69) HD1
HIS( 10 B 70) HD1
HIS( 10 B 71) HE2
ASP( 11 A 2) HD2
ASP( 11 A 19) HD2
GLU( 11 A 22) HE2
GLU( 11 A 26) HE2
GLU( 11 A 37) HE2
HIS( 11 A 43) HD1
ASP( 11 A 45) HD2
GLU( 11 A 52) HE2
GLU( 11 A 54) HE2
ASP( 11 A 58) HD2
GLU( 11 A 65) HE2
HIS( 11 A 66) HE2
HIS( 11 A 67) HE2
HIS( 11 A 68) HD1
HIS( 11 A 69) HD1
HIS( 11 A 70) HD1
HIS( 11 A 71) HE2
ASP( 11 B 2) HD2
ASP( 11 B 19) HD2
GLU( 11 B 22) HE2
GLU( 11 B 26) HE2
GLU( 11 B 37) HE2
HIS( 11 B 43) HD1
ASP( 11 B 45) HD2
GLU( 11 B 52) HE2
GLU( 11 B 54) HE2
ASP( 11 B 58) HD2
GLU( 11 B 65) HE2
HIS( 11 B 66) HE2
HIS( 11 B 67) HE2
HIS( 11 B 68) HD1
HIS( 11 B 69) HD1
HIS( 11 B 70) HD1
HIS( 11 B 71) HE2
ASP( 12 A 2) HD2
ASP( 12 A 19) HD2
GLU( 12 A 22) HE2
GLU( 12 A 26) HE2
GLU( 12 A 37) HE2
HIS( 12 A 43) HD1
ASP( 12 A 45) HD2
GLU( 12 A 52) HE2
GLU( 12 A 54) HE2
ASP( 12 A 58) HD2
GLU( 12 A 65) HE2
HIS( 12 A 66) HE2
HIS( 12 A 67) HD1
HIS( 12 A 68) HD1
HIS( 12 A 69) HD1
HIS( 12 A 70) HE2
HIS( 12 A 71) HE2
ASP( 12 B 2) HD2
ASP( 12 B 19) HD2
GLU( 12 B 22) HE2
GLU( 12 B 26) HE2
GLU( 12 B 37) HE2
HIS( 12 B 43) HD1
ASP( 12 B 45) HD2
GLU( 12 B 52) HE2
GLU( 12 B 54) HE2
ASP( 12 B 58) HD2
GLU( 12 B 65) HE2
HIS( 12 B 66) HE2
HIS( 12 B 67) HD1
HIS( 12 B 68) HD1
HIS( 12 B 69) HD1
HIS( 12 B 70) HE2
HIS( 12 B 71) HE2
ASP( 13 A 2) HD2
ASP( 13 A 19) HD2
GLU( 13 A 22) HE2
GLU( 13 A 26) HE2
GLU( 13 A 37) HE2
HIS( 13 A 43) HD1
ASP( 13 A 45) HD2
GLU( 13 A 52) HE2
GLU( 13 A 54) HE2
ASP( 13 A 58) HD2
GLU( 13 A 65) HE2
HIS( 13 A 66) HE2
HIS( 13 A 67) HD1
HIS( 13 A 68) HD1
HIS( 13 A 69) HD1
HIS( 13 A 70) HE2
HIS( 13 A 71) HE2
ASP( 13 B 2) HD2
ASP( 13 B 19) HD2
GLU( 13 B 22) HE2
GLU( 13 B 26) HE2
GLU( 13 B 37) HE2
HIS( 13 B 43) HD1
ASP( 13 B 45) HD2
GLU( 13 B 52) HE2
GLU( 13 B 54) HE2
ASP( 13 B 58) HD2
GLU( 13 B 65) HE2
HIS( 13 B 66) HE2
HIS( 13 B 67) HD1
HIS( 13 B 68) HD1
HIS( 13 B 69) HD1
HIS( 13 B 70) HE2
HIS( 13 B 71) HE2
ASP( 14 A 2) HD2
ASP( 14 A 19) HD2
GLU( 14 A 22) HE2
GLU( 14 A 26) HE2
GLU( 14 A 37) HE2
HIS( 14 A 43) HD1
ASP( 14 A 45) HD2
GLU( 14 A 52) HE2
GLU( 14 A 54) HE2
ASP( 14 A 58) HD2
GLU( 14 A 65) HE2
HIS( 14 A 66) HD1
HIS( 14 A 67) HD1
HIS( 14 A 68) HE2
HIS( 14 A 69) HE2
HIS( 14 A 70) HD1
HIS( 14 A 71) HE2
ASP( 14 B 2) HD2
ASP( 14 B 19) HD2
GLU( 14 B 22) HE2
GLU( 14 B 26) HE2
GLU( 14 B 37) HE2
HIS( 14 B 43) HD1
ASP( 14 B 45) HD2
GLU( 14 B 52) HE2
GLU( 14 B 54) HE2
ASP( 14 B 58) HD2
GLU( 14 B 65) HE2
HIS( 14 B 66) HD1
HIS( 14 B 67) HD1
HIS( 14 B 68) HE2
HIS( 14 B 69) HE2
HIS( 14 B 70) HD1
HIS( 14 B 71) HE2
ASP( 15 A 2) HD2
ASP( 15 A 19) HD2
GLU( 15 A 22) HE2
GLU( 15 A 26) HE2
GLU( 15 A 37) HE2
HIS( 15 A 43) HD1
ASP( 15 A 45) HD2
GLU( 15 A 52) HE2
GLU( 15 A 54) HE2
ASP( 15 A 58) HD2
GLU( 15 A 65) HE2
HIS( 15 A 66) HE2
HIS( 15 A 67) HD1
HIS( 15 A 68) HD1
HIS( 15 A 69) HE2
HIS( 15 A 70) HE2
HIS( 15 A 71) HE2
ASP( 15 B 2) HD2
ASP( 15 B 19) HD2
GLU( 15 B 22) HE2
GLU( 15 B 26) HE2
GLU( 15 B 37) HE2
HIS( 15 B 43) HD1
ASP( 15 B 45) HD2
GLU( 15 B 52) HE2
GLU( 15 B 54) HE2
ASP( 15 B 58) HD2
GLU( 15 B 65) HE2
HIS( 15 B 66) HE2
HIS( 15 B 67) HD1
HIS( 15 B 68) HD1
HIS( 15 B 69) HE2
HIS( 15 B 70) HE2
HIS( 15 B 71) HE2
ASP( 16 A 2) HD2
ASP( 16 A 19) HD2
GLU( 16 A 22) HE2
GLU( 16 A 26) HE2
GLU( 16 A 37) HE2
HIS( 16 A 43) HD1
ASP( 16 A 45) HD2
GLU( 16 A 52) HE2
GLU( 16 A 54) HE2
ASP( 16 A 58) HD2
GLU( 16 A 65) HE2
HIS( 16 A 66) HE2
HIS( 16 A 67) HE2
HIS( 16 A 68) HD1
HIS( 16 A 69) HE2
HIS( 16 A 70) HE2
HIS( 16 A 71) HE2
ASP( 16 B 2) HD2
ASP( 16 B 19) HD2
GLU( 16 B 22) HE2
GLU( 16 B 26) HE2
GLU( 16 B 37) HE2
HIS( 16 B 43) HD1
ASP( 16 B 45) HD2
GLU( 16 B 52) HE2
GLU( 16 B 54) HE2
ASP( 16 B 58) HD2
GLU( 16 B 65) HE2
HIS( 16 B 66) HE2
HIS( 16 B 67) HE2
HIS( 16 B 68) HD1
HIS( 16 B 69) HE2
HIS( 16 B 70) HE2
HIS( 16 B 71) HE2
ASP( 17 A 2) HD2
ASP( 17 A 19) HD2
GLU( 17 A 22) HE2
GLU( 17 A 26) HE2
GLU( 17 A 37) HE2
HIS( 17 A 43) HD1
ASP( 17 A 45) HD2
GLU( 17 A 52) HE2
GLU( 17 A 54) HE2
ASP( 17 A 58) HD2
GLU( 17 A 65) HE2
HIS( 17 A 66) HD1
HIS( 17 A 67) HD1
HIS( 17 A 68) HE2
HIS( 17 A 69) HD1
HIS( 17 A 70) HE2
HIS( 17 A 71) HE2
ASP( 17 B 2) HD2
ASP( 17 B 19) HD2
GLU( 17 B 22) HE2
GLU( 17 B 26) HE2
GLU( 17 B 37) HE2
HIS( 17 B 43) HD1
ASP( 17 B 45) HD2
GLU( 17 B 52) HE2
GLU( 17 B 54) HE2
ASP( 17 B 58) HD2
GLU( 17 B 65) HE2
HIS( 17 B 66) HD1
HIS( 17 B 67) HD1
HIS( 17 B 68) HE2
HIS( 17 B 69) HD1
HIS( 17 B 70) HE2
HIS( 17 B 71) HE2
ASP( 18 A 2) HD2
ASP( 18 A 19) HD2
GLU( 18 A 22) HE2
GLU( 18 A 26) HE2
GLU( 18 A 37) HE2
HIS( 18 A 43) HD1
ASP( 18 A 45) HD2
GLU( 18 A 52) HE2
GLU( 18 A 54) HE2
ASP( 18 A 58) HD2
GLU( 18 A 65) HE2
HIS( 18 A 66) HE2
HIS( 18 A 67) HE2
HIS( 18 A 68) HE2
HIS( 18 A 69) HD1
HIS( 18 A 70) HE2
HIS( 18 A 71) HD1
ASP( 18 B 2) HD2
ASP( 18 B 19) HD2
GLU( 18 B 22) HE2
GLU( 18 B 26) HE2
GLU( 18 B 37) HE2
HIS( 18 B 43) HD1
ASP( 18 B 45) HD2
GLU( 18 B 52) HE2
GLU( 18 B 54) HE2
ASP( 18 B 58) HD2
GLU( 18 B 65) HE2
HIS( 18 B 66) HE2
HIS( 18 B 67) HE2
HIS( 18 B 68) HE2
HIS( 18 B 69) HD1
HIS( 18 B 70) HE2
HIS( 18 B 71) HD1
ASP( 19 A 2) HD2
ASP( 19 A 19) HD2
GLU( 19 A 22) HE2
GLU( 19 A 26) HE2
GLU( 19 A 37) HE2
HIS( 19 A 43) HD1
ASP( 19 A 45) HD2
GLU( 19 A 52) HE2
GLU( 19 A 54) HE2
ASP( 19 A 58) HD2
GLU( 19 A 65) HE2
HIS( 19 A 66) HD1
HIS( 19 A 67) HE2
HIS( 19 A 68) HE2
HIS( 19 A 69) HD1
HIS( 19 A 70) HE2
HIS( 19 A 71) HD1
ASP( 19 B 2) HD2
ASP( 19 B 19) HD2
GLU( 19 B 22) HE2
GLU( 19 B 26) HE2
GLU( 19 B 37) HE2
HIS( 19 B 43) HD1
ASP( 19 B 45) HD2
GLU( 19 B 52) HE2
GLU( 19 B 54) HE2
ASP( 19 B 58) HD2
GLU( 19 B 65) HE2
HIS( 19 B 66) HD1
HIS( 19 B 67) HE2
HIS( 19 B 68) HE2
HIS( 19 B 69) HD1
HIS( 19 B 70) HE2
HIS( 19 B 71) HD1
ASP( 20 A 2) HD2
ASP( 20 A 19) HD2
GLU( 20 A 22) HE2
GLU( 20 A 26) HE2
GLU( 20 A 37) HE2
HIS( 20 A 43) HD1
ASP( 20 A 45) HD2
GLU( 20 A 52) HE2
GLU( 20 A 54) HE2
ASP( 20 A 58) HD2
GLU( 20 A 65) HE2
HIS( 20 A 66) HD1
HIS( 20 A 67) HD1
HIS( 20 A 68) HE2
HIS( 20 A 69) HE2
HIS( 20 A 70) HD1
HIS( 20 A 71) HD1
ASP( 20 B 2) HD2
ASP( 20 B 19) HD2
GLU( 20 B 22) HE2
GLU( 20 B 26) HE2
GLU( 20 B 37) HE2
HIS( 20 B 43) HD1
ASP( 20 B 45) HD2
GLU( 20 B 52) HE2
GLU( 20 B 54) HE2
ASP( 20 B 58) HD2
GLU( 20 B 65) HE2
HIS( 20 B 66) HD1
HIS( 20 B 67) HD1
HIS( 20 B 68) HE2
HIS( 20 B 69) HE2
HIS( 20 B 70) HD1
HIS( 20 B 71) HD1
==> The following residues have extra atoms:
RES MOD#C SEQ ATOMS
HIS( 1 A 71) O2
HIS( 1 B 71) O2
HIS( 2 A 71) O2
HIS( 2 B 71) O2
HIS( 3 A 71) O2
HIS( 3 B 71) O2
HIS( 4 A 71) O2
HIS( 4 B 71) O2
HIS( 5 A 71) O2
HIS( 5 B 71) O2
HIS( 6 A 71) O2
HIS( 6 B 71) O2
HIS( 7 A 71) O2
HIS( 7 B 71) O2
HIS( 8 A 71) O2
HIS( 8 B 71) O2
HIS( 9 A 71) O2
HIS( 9 B 71) O2
HIS( 10 A 71) O2
HIS( 10 B 71) O2
HIS( 11 A 71) O2
HIS( 11 B 71) O2
HIS( 12 A 71) O2
HIS( 12 B 71) O2
HIS( 13 A 71) O2
HIS( 13 B 71) O2
HIS( 14 A 71) O2
HIS( 14 B 71) O2
HIS( 15 A 71) O2
HIS( 15 B 71) O2
HIS( 16 A 71) O2
HIS( 16 B 71) O2
HIS( 17 A 71) O2
HIS( 17 B 71) O2
HIS( 18 A 71) O2
HIS( 18 B 71) O2
HIS( 19 A 71) O2
HIS( 19 B 71) O2
HIS( 20 A 71) O2
HIS( 20 B 71) O2
DHR8C_R3Cons_em_bcr3.pdb: Missing KEYWDS records
DHR8C_R3Cons_em_bcr3.pdb: Missing TITLE record