Detailed results of SOR77_NMR_em_bcr3 by PSVS
Output from PDBStat
Constraints analysis
table of NOE constraints
# -------------- SUMMARY OF RESTRAINTS ---------------
# TOTAL NUMBER OF NOE RESTRAINTS : 1356
# INTRA-RESIDUE RESTRAINTS (I=J) : 0
# SEQUENTIAL RESTRAINTS (I-J)=1 : 198
# BACKBONE-BACKBONE : 98
# BACKBONE-SIDE CHAIN : 64
# SIDE CHAIN-SIDE CHAIN : 36
# MEDIUM RANGE RESTRAINTS 1<(I-J)<5 : 778
# BACKBONE-BACKBONE : 304
# BACKBONE-SIDE CHAIN : 174
# SIDE CHAIN-SIDE CHAIN : 300
# LONG RANGE RESTRAINTS (I-J)>=5 : 380
# TOTAL HYDROGEN BOND RESTRAINTS : 0
# LONG RANGE H-BOND RESTR. (I-J)>=5 : 0
# DISULFIDE RESTRAINTS : 0
# INTRA-CHAIN RESTRAINTS : 1048
# INTER-CHAIN RESTRAINTS : 308
# AMBIGUOUS RESTRAINTS : 0
# -----------------------------------------------------
# -----------------------------------------------------
# -----------------------------------------------------
# RES # INTRA INTER seq med lng InterChain
MET 1 0 0.0 0.0 0.0 0.0 0.0
ALA 2 0 0.0 0.0 0.0 0.0 0.0
ILE 3 0 0.0 0.0 0.0 0.0 0.0
GLN 4 0 0.0 0.0 0.0 0.0 0.0
SER 5 0 1.0 0.0 1.0 0.0 0.0
LYS 6 0 2.0 2.0 0.0 0.0 0.0
TYR 7 0 12.5 2.0 2.0 8.5 6.5
SER 8 0 4.0 0.5 3.5 0.0 0.0
ASN 9 0 4.5 1.0 3.5 0.0 0.0
THR 10 0 4.5 1.5 3.0 0.0 0.0
GLN 11 0 10.5 1.5 6.0 3.0 3.0
VAL 12 0 15.5 1.0 9.0 5.5 3.5
GLU 13 0 7.5 1.0 6.5 0.0 0.0
SER 14 0 5.5 1.0 4.5 0.0 0.0
LEU 15 0 15.5 2.0 7.5 6.0 6.0
ILE 16 0 18.5 1.5 9.5 7.5 7.5
ALA 17 0 6.0 1.0 5.0 0.0 0.0
GLU 18 0 9.5 2.0 7.5 0.0 2.5
ILE 19 0 13.5 1.5 10.0 2.0 6.0
LEU 20 0 11.5 1.5 5.5 4.5 4.5
VAL 21 0 10.0 2.0 8.0 0.0 0.0
VAL 22 0 13.5 2.0 11.0 0.5 4.0
LEU 23 0 16.5 1.5 6.5 8.5 3.0
GLU 24 0 6.0 1.0 5.0 0.0 0.0
LYS 25 0 10.0 1.5 8.5 0.0 0.0
HIS 26 0 10.0 1.5 6.0 2.5 2.5
LYS 27 0 3.5 1.5 2.0 0.0 0.0
ALA 28 0 14.0 2.5 5.0 6.5 1.5
PRO 29 0 7.5 2.5 4.5 0.5 0.5
THR 30 0 7.5 1.0 3.5 3.0 3.0
ASP 31 0 5.0 0.5 4.0 0.5 0.5
LEU 32 0 20.5 1.0 11.0 8.5 8.5
SER 33 0 11.0 1.5 4.0 5.5 2.0
LEU 34 0 14.5 1.5 8.5 4.5 4.5
MET 35 0 11.0 1.0 7.5 2.5 2.5
ALA 36 0 13.0 0.5 5.5 7.0 6.0
LEU 37 0 12.5 0.5 10.0 2.0 3.5
GLY 38 0 11.0 1.5 5.5 4.0 4.5
ASN 39 0 12.0 2.0 7.5 2.5 2.5
CYS 40 0 11.5 2.5 7.0 2.0 3.0
VAL 41 0 25.0 3.0 12.5 9.5 8.0
THR 42 0 13.0 1.5 6.0 5.5 5.5
HIS 43 0 10.0 2.0 4.5 3.5 3.5
LEU 44 0 10.5 2.5 4.0 4.0 4.0
LEU 45 0 16.0 1.0 8.0 7.0 0.5
GLU 46 0 6.5 1.0 2.5 3.0 0.0
ARG 47 0 3.0 1.0 2.0 0.0 0.0
LYS 48 0 4.5 2.0 1.0 1.5 1.5
VAL 49 0 13.0 3.5 5.0 4.5 0.0
PRO 50 0 6.5 2.5 4.0 0.0 0.0
SER 51 0 8.0 1.0 6.5 0.5 0.5
GLU 52 0 4.0 1.0 3.0 0.0 0.0
SER 53 0 10.5 1.5 9.0 0.0 0.0
ARG 54 0 24.5 1.5 9.0 14.0 4.0
GLN 55 0 7.5 1.5 3.0 3.0 3.0
ALA 56 0 8.5 2.0 6.5 0.0 0.0
VAL 57 0 13.5 2.0 8.0 3.5 1.0
ALA 58 0 12.0 2.0 6.0 4.0 2.5
GLU 59 0 8.0 1.5 6.5 0.0 0.0
GLN 60 0 8.5 1.0 7.5 0.0 0.0
PHE 61 0 18.0 1.5 8.0 8.5 6.5
ALA 62 0 11.5 1.5 10.0 0.0 1.0
LYS 63 0 6.0 1.5 4.5 0.0 0.0
ALA 64 0 6.0 1.5 4.5 0.0 0.0
LEU 65 0 19.5 1.0 9.0 9.5 9.5
ALA 66 0 6.5 0.5 5.5 0.5 1.0
GLN 67 0 3.5 0.0 3.5 0.0 0.0
SER 68 0 5.0 1.5 3.0 0.5 0.5
VAL 69 0 15.5 2.0 4.5 9.0 9.0
LYS 70 0 5.0 0.5 4.0 0.5 0.5
SER 71 0 1.5 0.5 1.0 0.0 0.0
ASN 72 0 2.0 1.0 1.0 0.0 0.0
LEU 73 0 2.0 0.5 1.0 0.5 0.5
GLU 74 0 0.5 0.0 0.5 0.0 0.0
HIS 75 0 0.0 0.0 0.0 0.0 0.0
HIS 76 0 0.0 0.0 0.0 0.0 0.0
HIS 77 0 0.0 0.0 0.0 0.0 0.0
HIS 78 0 0.0 0.0 0.0 0.0 0.0
HIS 79 0 0.0 0.0 0.0 0.0 0.0
HIS 80 0 0.0 0.0 0.0 0.0 0.0
MET 1 0 0.0 0.0 0.0 0.0 0.0
ALA 2 0 0.0 0.0 0.0 0.0 0.0
ILE 3 0 0.0 0.0 0.0 0.0 0.0
GLN 4 0 0.0 0.0 0.0 0.0 0.0
SER 5 0 1.0 0.0 1.0 0.0 0.0
LYS 6 0 2.0 2.0 0.0 0.0 0.0
TYR 7 0 12.5 2.0 2.0 8.5 6.5
SER 8 0 4.0 0.5 3.5 0.0 0.0
ASN 9 0 4.5 1.0 3.5 0.0 0.0
THR 10 0 4.5 1.5 3.0 0.0 0.0
GLN 11 0 10.5 1.5 6.0 3.0 3.0
VAL 12 0 15.5 1.0 9.0 5.5 3.5
GLU 13 0 7.5 1.0 6.5 0.0 0.0
SER 14 0 5.5 1.0 4.5 0.0 0.0
LEU 15 0 15.5 2.0 7.5 6.0 6.0
ILE 16 0 18.5 1.5 9.5 7.5 7.5
ALA 17 0 6.0 1.0 5.0 0.0 0.0
GLU 18 0 9.5 2.0 7.5 0.0 2.5
ILE 19 0 13.5 1.5 10.0 2.0 6.0
LEU 20 0 11.5 1.5 5.5 4.5 4.5
VAL 21 0 10.0 2.0 8.0 0.0 0.0
VAL 22 0 13.5 2.0 11.0 0.5 4.0
LEU 23 0 16.5 1.5 6.5 8.5 3.0
GLU 24 0 6.0 1.0 5.0 0.0 0.0
LYS 25 0 10.0 1.5 8.5 0.0 0.0
HIS 26 0 10.0 1.5 6.0 2.5 2.5
LYS 27 0 3.5 1.5 2.0 0.0 0.0
ALA 28 0 14.0 2.5 5.0 6.5 1.5
PRO 29 0 7.5 2.5 4.5 0.5 0.5
THR 30 0 7.5 1.0 3.5 3.0 3.0
ASP 31 0 5.0 0.5 4.0 0.5 0.5
LEU 32 0 20.5 1.0 11.0 8.5 8.5
SER 33 0 11.0 1.5 4.0 5.5 2.0
LEU 34 0 14.5 1.5 8.5 4.5 4.5
MET 35 0 11.0 1.0 7.5 2.5 2.5
ALA 36 0 13.0 0.5 5.5 7.0 6.0
LEU 37 0 12.5 0.5 10.0 2.0 3.5
GLY 38 0 11.0 1.5 5.5 4.0 4.5
ASN 39 0 12.0 2.0 7.5 2.5 2.5
CYS 40 0 11.5 2.5 7.0 2.0 3.0
VAL 41 0 25.0 3.0 12.5 9.5 8.0
THR 42 0 13.0 1.5 6.0 5.5 5.5
HIS 43 0 10.0 2.0 4.5 3.5 3.5
LEU 44 0 10.5 2.5 4.0 4.0 4.0
LEU 45 0 16.0 1.0 8.0 7.0 0.5
GLU 46 0 6.5 1.0 2.5 3.0 0.0
ARG 47 0 3.0 1.0 2.0 0.0 0.0
LYS 48 0 4.5 2.0 1.0 1.5 1.5
VAL 49 0 13.0 3.5 5.0 4.5 0.0
PRO 50 0 6.5 2.5 4.0 0.0 0.0
SER 51 0 8.0 1.0 6.5 0.5 0.5
GLU 52 0 4.0 1.0 3.0 0.0 0.0
SER 53 0 10.5 1.5 9.0 0.0 0.0
ARG 54 0 24.5 1.5 9.0 14.0 4.0
GLN 55 0 7.5 1.5 3.0 3.0 3.0
ALA 56 0 8.5 2.0 6.5 0.0 0.0
VAL 57 0 13.5 2.0 8.0 3.5 1.0
ALA 58 0 12.0 2.0 6.0 4.0 2.5
GLU 59 0 8.0 1.5 6.5 0.0 0.0
GLN 60 0 8.5 1.0 7.5 0.0 0.0
PHE 61 0 18.0 1.5 8.0 8.5 6.5
ALA 62 0 11.5 1.5 10.0 0.0 1.0
LYS 63 0 6.0 1.5 4.5 0.0 0.0
ALA 64 0 6.0 1.5 4.5 0.0 0.0
LEU 65 0 19.5 1.0 9.0 9.5 9.5
ALA 66 0 6.5 0.5 5.5 0.5 1.0
GLN 67 0 3.5 0.0 3.5 0.0 0.0
SER 68 0 5.0 1.5 3.0 0.5 0.5
VAL 69 0 15.5 2.0 4.5 9.0 9.0
LYS 70 0 5.0 0.5 4.0 0.5 0.5
SER 71 0 1.5 0.5 1.0 0.0 0.0
ASN 72 0 2.0 1.0 1.0 0.0 0.0
LEU 73 0 2.0 0.5 1.0 0.5 0.5
GLU 74 0 0.5 0.0 0.5 0.0 0.0
HIS 75 0 0.0 0.0 0.0 0.0 0.0
HIS 76 0 0.0 0.0 0.0 0.0 0.0
HIS 77 0 0.0 0.0 0.0 0.0 0.0
HIS 78 0 0.0 0.0 0.0 0.0 0.0
HIS 79 0 0.0 0.0 0.0 0.0 0.0
HIS 80 0 0.0 0.0 0.0 0.0 0.0
# TOTAL 0 1356.0 198.0 778.0 380.0 308.0
# TOTAL NUMBER OF RESTRAINTS (CHECKING): 1356.0
List of conformationally-resticting NOE constraints
assign ((segid A and resid 7 and name HB1 )) ((segid B and resid 32 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 7 and name HB2 )) ((segid B and resid 32 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 7 and name HD# )) ((segid B and resid 32 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 7 and name HD# )) ((segid B and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 7 and name HD# )) ((segid B and resid 35 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 7 and name HE# )) ((segid B and resid 29 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 7 and name HE# )) ((segid B and resid 31 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 7 and name HE# )) ((segid B and resid 32 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 7 and name HE# )) ((segid B and resid 32 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 7 and name HE# )) ((segid B and resid 32 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 7 and name HE# )) ((segid B and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 7 and name HE# )) ((segid B and resid 32 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 7 and name HE# )) ((segid B and resid 35 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 11 and name HB# )) ((segid B and resid 32 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 11 and name HB# )) ((segid B and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 11 and name HE2# )) ((segid B and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 11 and name HG# )) ((segid B and resid 32 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 11 and name HG# )) ((segid B and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 11 and name HG# )) ((segid B and resid 32 and name HG )) 1.80 0.00 3.20
assign ((segid A and resid 12 and name HA )) ((segid B and resid 32 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 12 and name HG1# )) ((segid B and resid 35 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 12 and name HG1# )) ((segid B and resid 35 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 12 and name HG1# )) ((segid B and resid 36 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 12 and name HG1# )) ((segid B and resid 36 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 12 and name HG2# )) ((segid B and resid 35 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 12 and name HN )) ((segid B and resid 32 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HA )) ((segid B and resid 22 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HD1# )) ((segid B and resid 26 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HD1# )) ((segid B and resid 26 and name HD2 )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HD1# )) ((segid B and resid 26 and name HE1 )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HD1# )) ((segid B and resid 28 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HD2# )) ((segid B and resid 26 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HD2# )) ((segid B and resid 26 and name HD2 )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HD2# )) ((segid B and resid 28 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HD2# )) ((segid B and resid 33 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HD2# )) ((segid B and resid 36 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HD2# )) ((segid B and resid 36 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HG )) ((segid B and resid 28 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HA )) ((segid B and resid 36 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HA )) ((segid B and resid 36 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HD1# )) ((segid B and resid 36 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HD1# )) ((segid B and resid 36 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HD1# )) ((segid B and resid 39 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HD1# )) ((segid B and resid 39 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HG11 )) ((segid B and resid 36 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HG12 )) ((segid B and resid 36 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HG1# )) ((segid B and resid 36 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HG1# )) ((segid B and resid 39 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HG2# )) ((segid B and resid 39 and name HB1 )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HG2# )) ((segid B and resid 39 and name HB2 )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HG2# )) ((segid B and resid 40 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HG2# )) ((segid B and resid 43 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HG2# )) ((segid B and resid 43 and name HD2 )) 1.80 0.00 3.20
assign ((segid A and resid 18 and name HB# )) ((segid B and resid 22 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 18 and name HB# )) ((segid B and resid 22 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 18 and name HG# )) ((segid B and resid 22 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 18 and name HG# )) ((segid B and resid 22 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 18 and name HN )) ((segid B and resid 22 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HB )) ((segid B and resid 40 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HD1# )) ((segid B and resid 22 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HD1# )) ((segid B and resid 23 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HD1# )) ((segid B and resid 23 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HD1# )) ((segid B and resid 36 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HD1# )) ((segid B and resid 37 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HD1# )) ((segid B and resid 37 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HG2# )) ((segid B and resid 22 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HG2# )) ((segid B and resid 23 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HG2# )) ((segid B and resid 23 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HG2# )) ((segid B and resid 23 and name HG )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HG2# )) ((segid B and resid 23 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 20 and name HD1# )) ((segid B and resid 43 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 20 and name HD1# )) ((segid B and resid 43 and name HD2 )) 1.80 0.00 3.20
assign ((segid A and resid 20 and name HD1# )) ((segid B and resid 43 and name HE1 )) 1.80 0.00 3.20
assign ((segid A and resid 20 and name HD2# )) ((segid B and resid 40 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 20 and name HD2# )) ((segid B and resid 40 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 20 and name HD2# )) ((segid B and resid 43 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 20 and name HD2# )) ((segid B and resid 43 and name HD2 )) 1.80 0.00 3.20
assign ((segid A and resid 20 and name HD2# )) ((segid B and resid 44 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 20 and name HD2# )) ((segid B and resid 44 and name HG )) 1.80 0.00 3.20
assign ((segid A and resid 30 and name HA )) ((segid B and resid 44 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 30 and name HA )) ((segid B and resid 44 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 30 and name HG2# )) ((segid B and resid 44 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 30 and name HG2# )) ((segid B and resid 48 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 30 and name HG2# )) ((segid B and resid 48 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 30 and name HG2# )) ((segid B and resid 48 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 33 and name HA )) ((segid B and resid 44 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 33 and name HB# )) ((segid B and resid 44 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 33 and name HB# )) ((segid B and resid 44 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HA )) ((segid B and resid 41 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HD1# )) ((segid B and resid 61 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HD2# )) ((segid B and resid 41 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HD2# )) ((segid B and resid 41 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HD2# )) ((segid B and resid 41 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HD2# )) ((segid B and resid 57 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HD2# )) ((segid B and resid 57 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HD2# )) ((segid B and resid 61 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HD2# )) ((segid B and resid 61 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 37 and name HD1# )) ((segid B and resid 40 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 37 and name HD1# )) ((segid B and resid 41 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 37 and name HD1# )) ((segid B and resid 41 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 37 and name HD1# )) ((segid B and resid 41 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 37 and name HD2# )) ((segid B and resid 40 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HA1 )) ((segid B and resid 61 and name HZ )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HA2 )) ((segid B and resid 61 and name HZ )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HA# )) ((segid B and resid 41 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HA# )) ((segid B and resid 61 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HA# )) ((segid B and resid 65 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HA# )) ((segid B and resid 65 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HA# )) ((segid B and resid 65 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HN )) ((segid B and resid 61 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HN )) ((segid B and resid 61 and name HZ )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HB )) ((segid B and resid 65 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HB )) ((segid B and resid 65 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG1# )) ((segid B and resid 61 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG1# )) ((segid B and resid 61 and name HZ )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG1# )) ((segid B and resid 65 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG1# )) ((segid B and resid 65 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG2# )) ((segid B and resid 61 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG2# )) ((segid B and resid 61 and name HZ )) 1.80 0.00 3.20
assign ((segid A and resid 42 and name HA )) ((segid B and resid 65 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 42 and name HA )) ((segid B and resid 65 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 42 and name HB )) ((segid B and resid 65 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 42 and name HG2# )) ((segid B and resid 65 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 42 and name HG2# )) ((segid B and resid 65 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 42 and name HG2# )) ((segid B and resid 65 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 42 and name HG2# )) ((segid B and resid 65 and name HG )) 1.80 0.00 3.20
assign ((segid A and resid 42 and name HG2# )) ((segid B and resid 68 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 42 and name HG2# )) ((segid B and resid 69 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 42 and name HN )) ((segid B and resid 65 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 42 and name HN )) ((segid B and resid 65 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HB# )) ((segid B and resid 69 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 51 and name HB# )) ((segid B and resid 73 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 54 and name HA )) ((segid B and resid 69 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 54 and name HB# )) ((segid B and resid 69 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 54 and name HB# )) ((segid B and resid 69 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 54 and name HD1 )) ((segid B and resid 69 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 54 and name HD2 )) ((segid B and resid 69 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 54 and name HD# )) ((segid B and resid 69 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 54 and name HG# )) ((segid B and resid 69 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 54 and name HG# )) ((segid B and resid 69 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 55 and name HA )) ((segid B and resid 69 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 55 and name HB# )) ((segid B and resid 69 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 55 and name HG# )) ((segid B and resid 69 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 55 and name HG# )) ((segid B and resid 69 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 55 and name HG# )) ((segid B and resid 70 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 55 and name HN )) ((segid B and resid 69 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 58 and name HB# )) ((segid B and resid 65 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 58 and name HB# )) ((segid B and resid 66 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 58 and name HB# )) ((segid B and resid 69 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 58 and name HB# )) ((segid B and resid 69 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 58 and name HB# )) ((segid B and resid 69 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 61 and name HE# )) ((segid B and resid 65 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 62 and name HB# )) ((segid B and resid 65 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 62 and name HB# )) ((segid B and resid 66 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HB1 )) ((segid A and resid 32 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HB2 )) ((segid A and resid 32 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HD# )) ((segid A and resid 32 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HD# )) ((segid A and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HD# )) ((segid A and resid 35 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HE# )) ((segid A and resid 29 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HE# )) ((segid A and resid 31 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HE# )) ((segid A and resid 32 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HE# )) ((segid A and resid 32 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HE# )) ((segid A and resid 32 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HE# )) ((segid A and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HE# )) ((segid A and resid 32 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HE# )) ((segid A and resid 35 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 11 and name HB# )) ((segid A and resid 32 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 11 and name HB# )) ((segid A and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 11 and name HE2# )) ((segid A and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 11 and name HG# )) ((segid A and resid 32 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 11 and name HG# )) ((segid A and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 11 and name HG# )) ((segid A and resid 32 and name HG )) 1.80 0.00 3.20
assign ((segid B and resid 12 and name HA )) ((segid A and resid 32 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 12 and name HG1# )) ((segid A and resid 35 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 12 and name HG1# )) ((segid A and resid 35 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 12 and name HG1# )) ((segid A and resid 36 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 12 and name HG1# )) ((segid A and resid 36 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 12 and name HG2# )) ((segid A and resid 35 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 12 and name HN )) ((segid A and resid 32 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HA )) ((segid A and resid 22 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HD1# )) ((segid A and resid 26 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HD1# )) ((segid A and resid 26 and name HD2 )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HD1# )) ((segid A and resid 26 and name HE1 )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HD1# )) ((segid A and resid 28 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HD2# )) ((segid A and resid 26 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HD2# )) ((segid A and resid 26 and name HD2 )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HD2# )) ((segid A and resid 28 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HD2# )) ((segid A and resid 33 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HD2# )) ((segid A and resid 36 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HD2# )) ((segid A and resid 36 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HG )) ((segid A and resid 28 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HA )) ((segid A and resid 36 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HA )) ((segid A and resid 36 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HD1# )) ((segid A and resid 36 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HD1# )) ((segid A and resid 36 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HD1# )) ((segid A and resid 39 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HD1# )) ((segid A and resid 39 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HG11 )) ((segid A and resid 36 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HG12 )) ((segid A and resid 36 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HG1# )) ((segid A and resid 36 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HG1# )) ((segid A and resid 39 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HG2# )) ((segid A and resid 39 and name HB1 )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HG2# )) ((segid A and resid 39 and name HB2 )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HG2# )) ((segid A and resid 40 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HG2# )) ((segid A and resid 43 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HG2# )) ((segid A and resid 43 and name HD2 )) 1.80 0.00 3.20
assign ((segid B and resid 18 and name HB# )) ((segid A and resid 22 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 18 and name HB# )) ((segid A and resid 22 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 18 and name HG# )) ((segid A and resid 22 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 18 and name HG# )) ((segid A and resid 22 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 18 and name HN )) ((segid A and resid 22 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HB )) ((segid A and resid 40 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HD1# )) ((segid A and resid 22 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HD1# )) ((segid A and resid 23 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HD1# )) ((segid A and resid 23 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HD1# )) ((segid A and resid 36 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HD1# )) ((segid A and resid 37 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HD1# )) ((segid A and resid 37 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HG2# )) ((segid A and resid 22 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HG2# )) ((segid A and resid 23 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HG2# )) ((segid A and resid 23 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HG2# )) ((segid A and resid 23 and name HG )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HG2# )) ((segid A and resid 23 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 20 and name HD1# )) ((segid A and resid 43 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 20 and name HD1# )) ((segid A and resid 43 and name HD2 )) 1.80 0.00 3.20
assign ((segid B and resid 20 and name HD1# )) ((segid A and resid 43 and name HE1 )) 1.80 0.00 3.20
assign ((segid B and resid 20 and name HD2# )) ((segid A and resid 40 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 20 and name HD2# )) ((segid A and resid 40 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 20 and name HD2# )) ((segid A and resid 43 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 20 and name HD2# )) ((segid A and resid 43 and name HD2 )) 1.80 0.00 3.20
assign ((segid B and resid 20 and name HD2# )) ((segid A and resid 44 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 20 and name HD2# )) ((segid A and resid 44 and name HG )) 1.80 0.00 3.20
assign ((segid B and resid 30 and name HA )) ((segid A and resid 44 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 30 and name HA )) ((segid A and resid 44 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 30 and name HG2# )) ((segid A and resid 44 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 30 and name HG2# )) ((segid A and resid 48 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 30 and name HG2# )) ((segid A and resid 48 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 30 and name HG2# )) ((segid A and resid 48 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 33 and name HA )) ((segid A and resid 44 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 33 and name HB# )) ((segid A and resid 44 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 33 and name HB# )) ((segid A and resid 44 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HA )) ((segid A and resid 41 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HD1# )) ((segid A and resid 61 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HD2# )) ((segid A and resid 41 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HD2# )) ((segid A and resid 41 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HD2# )) ((segid A and resid 41 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HD2# )) ((segid A and resid 57 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HD2# )) ((segid A and resid 57 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HD2# )) ((segid A and resid 61 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HD2# )) ((segid A and resid 61 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 37 and name HD1# )) ((segid A and resid 40 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 37 and name HD1# )) ((segid A and resid 41 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 37 and name HD1# )) ((segid A and resid 41 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 37 and name HD1# )) ((segid A and resid 41 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 37 and name HD2# )) ((segid A and resid 40 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HA1 )) ((segid A and resid 61 and name HZ )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HA2 )) ((segid A and resid 61 and name HZ )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HA# )) ((segid A and resid 41 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HA# )) ((segid A and resid 61 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HA# )) ((segid A and resid 65 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HA# )) ((segid A and resid 65 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HA# )) ((segid A and resid 65 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HN )) ((segid A and resid 61 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HN )) ((segid A and resid 61 and name HZ )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HB )) ((segid A and resid 65 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HB )) ((segid A and resid 65 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG1# )) ((segid A and resid 61 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG1# )) ((segid A and resid 61 and name HZ )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG1# )) ((segid A and resid 65 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG1# )) ((segid A and resid 65 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG2# )) ((segid A and resid 61 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG2# )) ((segid A and resid 61 and name HZ )) 1.80 0.00 3.20
assign ((segid B and resid 42 and name HA )) ((segid A and resid 65 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 42 and name HA )) ((segid A and resid 65 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 42 and name HB )) ((segid A and resid 65 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 42 and name HG2# )) ((segid A and resid 65 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 42 and name HG2# )) ((segid A and resid 65 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 42 and name HG2# )) ((segid A and resid 65 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 42 and name HG2# )) ((segid A and resid 65 and name HG )) 1.80 0.00 3.20
assign ((segid B and resid 42 and name HG2# )) ((segid A and resid 68 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 42 and name HG2# )) ((segid A and resid 69 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 42 and name HN )) ((segid A and resid 65 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 42 and name HN )) ((segid A and resid 65 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HB# )) ((segid A and resid 69 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 51 and name HB# )) ((segid A and resid 73 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 54 and name HA )) ((segid A and resid 69 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 54 and name HB# )) ((segid A and resid 69 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 54 and name HB# )) ((segid A and resid 69 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 54 and name HD1 )) ((segid A and resid 69 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 54 and name HD2 )) ((segid A and resid 69 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 54 and name HD# )) ((segid A and resid 69 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 54 and name HG# )) ((segid A and resid 69 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 54 and name HG# )) ((segid A and resid 69 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 55 and name HA )) ((segid A and resid 69 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 55 and name HB# )) ((segid A and resid 69 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 55 and name HG# )) ((segid A and resid 69 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 55 and name HG# )) ((segid A and resid 69 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 55 and name HG# )) ((segid A and resid 70 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 55 and name HN )) ((segid A and resid 69 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 58 and name HB# )) ((segid A and resid 65 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 58 and name HB# )) ((segid A and resid 66 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 58 and name HB# )) ((segid A and resid 69 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 58 and name HB# )) ((segid A and resid 69 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 58 and name HB# )) ((segid A and resid 69 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 61 and name HE# )) ((segid A and resid 65 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 62 and name HB# )) ((segid A and resid 65 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 62 and name HB# )) ((segid A and resid 66 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 5 and name HA )) ((segid A and resid 7 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 5 and name HB# )) ((segid A and resid 7 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 6 and name HB# )) ((segid A and resid 7 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 6 and name HB# )) ((segid A and resid 7 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 6 and name HD# )) ((segid A and resid 7 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 6 and name HE# )) ((segid A and resid 7 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 7 and name HB1 )) ((segid A and resid 12 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 7 and name HB2 )) ((segid A and resid 12 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 7 and name HB# )) ((segid A and resid 11 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 7 and name HD# )) ((segid A and resid 11 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 7 and name HD# )) ((segid A and resid 12 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 7 and name HE# )) ((segid A and resid 12 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 8 and name HA )) ((segid A and resid 11 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 8 and name HA )) ((segid A and resid 9 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 8 and name HB# )) ((segid A and resid 10 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 8 and name HB# )) ((segid A and resid 11 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 8 and name HN )) ((segid A and resid 11 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 8 and name HN )) ((segid A and resid 11 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 8 and name HN )) ((segid A and resid 11 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 8 and name HN )) ((segid A and resid 12 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 9 and name HA )) ((segid A and resid 11 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 9 and name HA )) ((segid A and resid 12 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 9 and name HA )) ((segid A and resid 12 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 9 and name HA )) ((segid A and resid 12 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 9 and name HA )) ((segid A and resid 12 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 9 and name HA )) ((segid A and resid 13 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 9 and name HN )) ((segid A and resid 10 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 9 and name HN )) ((segid A and resid 11 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 10 and name HA )) ((segid A and resid 13 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 10 and name HA )) ((segid A and resid 13 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 10 and name HA )) ((segid A and resid 13 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 10 and name HG2# )) ((segid A and resid 14 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 10 and name HN )) ((segid A and resid 11 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 10 and name HN )) ((segid A and resid 11 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 10 and name HN )) ((segid A and resid 13 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 11 and name HA )) ((segid A and resid 14 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 11 and name HG# )) ((segid A and resid 15 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 11 and name HN )) ((segid A and resid 12 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 11 and name HN )) ((segid A and resid 13 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 12 and name HA )) ((segid A and resid 14 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 12 and name HA )) ((segid A and resid 15 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 12 and name HA )) ((segid A and resid 15 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 12 and name HA )) ((segid A and resid 15 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 12 and name HA )) ((segid A and resid 15 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 12 and name HA )) ((segid A and resid 16 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 12 and name HG1# )) ((segid A and resid 15 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 12 and name HG1# )) ((segid A and resid 16 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 12 and name HG1# )) ((segid A and resid 16 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 12 and name HG1# )) ((segid A and resid 16 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 12 and name HG2# )) ((segid A and resid 16 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 12 and name HN )) ((segid A and resid 13 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 12 and name HN )) ((segid A and resid 14 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 12 and name HN )) ((segid A and resid 15 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 13 and name HA )) ((segid A and resid 16 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 13 and name HA )) ((segid A and resid 16 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 13 and name HA )) ((segid A and resid 16 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 13 and name HA )) ((segid A and resid 17 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 13 and name HB# )) ((segid A and resid 15 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 13 and name HG# )) ((segid A and resid 16 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 13 and name HN )) ((segid A and resid 14 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 13 and name HN )) ((segid A and resid 15 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 14 and name HA )) ((segid A and resid 17 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 14 and name HA )) ((segid A and resid 17 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 14 and name HA )) ((segid A and resid 18 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 14 and name HB# )) ((segid A and resid 17 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 14 and name HN )) ((segid A and resid 15 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 14 and name HN )) ((segid A and resid 17 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HA )) ((segid A and resid 17 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HA )) ((segid A and resid 18 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HA )) ((segid A and resid 18 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HA )) ((segid A and resid 19 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HB# )) ((segid A and resid 19 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HN )) ((segid A and resid 16 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HN )) ((segid A and resid 16 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HN )) ((segid A and resid 16 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 15 and name HN )) ((segid A and resid 17 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HA )) ((segid A and resid 18 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HA )) ((segid A and resid 19 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HA )) ((segid A and resid 19 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HA )) ((segid A and resid 19 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HA )) ((segid A and resid 19 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HA )) ((segid A and resid 20 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HG2# )) ((segid A and resid 20 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HG2# )) ((segid A and resid 20 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HG2# )) ((segid A and resid 20 and name HG )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HN )) ((segid A and resid 18 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 17 and name HA )) ((segid A and resid 20 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 17 and name HA )) ((segid A and resid 20 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 17 and name HA )) ((segid A and resid 20 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 17 and name HN )) ((segid A and resid 18 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 17 and name HN )) ((segid A and resid 18 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 18 and name HA )) ((segid A and resid 21 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 18 and name HA )) ((segid A and resid 21 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 18 and name HA )) ((segid A and resid 21 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 18 and name HA )) ((segid A and resid 22 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 18 and name HN )) ((segid A and resid 19 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 18 and name HN )) ((segid A and resid 19 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 18 and name HN )) ((segid A and resid 20 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HA )) ((segid A and resid 21 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HA )) ((segid A and resid 22 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HA )) ((segid A and resid 22 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HA )) ((segid A and resid 22 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HN )) ((segid A and resid 20 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 19 and name HN )) ((segid A and resid 21 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HN )) ((segid A and resid 22 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 20 and name HA )) ((segid A and resid 23 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 20 and name HA )) ((segid A and resid 23 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 20 and name HN )) ((segid A and resid 21 and name HG## )) 1.80 0.00 3.20
assign ((segid A and resid 20 and name HN )) ((segid A and resid 21 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 20 and name HN )) ((segid A and resid 22 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 21 and name HA )) ((segid A and resid 24 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 21 and name HA )) ((segid A and resid 24 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 21 and name HA )) ((segid A and resid 24 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 21 and name HA )) ((segid A and resid 25 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 21 and name HG1# )) ((segid A and resid 24 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 21 and name HG1# )) ((segid A and resid 25 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 21 and name HG1# )) ((segid A and resid 25 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 21 and name HG1# )) ((segid A and resid 25 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 21 and name HG1# )) ((segid A and resid 25 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 21 and name HG2# )) ((segid A and resid 24 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 21 and name HG## )) ((segid A and resid 25 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 21 and name HN )) ((segid A and resid 22 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 21 and name HN )) ((segid A and resid 22 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 22 and name HA )) ((segid A and resid 25 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 22 and name HA )) ((segid A and resid 25 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 22 and name HA )) ((segid A and resid 25 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 22 and name HA )) ((segid A and resid 26 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 22 and name HG1# )) ((segid A and resid 25 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 22 and name HG1# )) ((segid A and resid 26 and name HD2 )) 1.80 0.00 3.20
assign ((segid A and resid 22 and name HG2# )) ((segid A and resid 25 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 22 and name HG2# )) ((segid A and resid 25 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 22 and name HN )) ((segid A and resid 23 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 22 and name HN )) ((segid A and resid 23 and name HG )) 1.80 0.00 3.20
assign ((segid A and resid 22 and name HN )) ((segid A and resid 24 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HA )) ((segid A and resid 25 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HA )) ((segid A and resid 26 and name HD2 )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HA )) ((segid A and resid 26 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HA )) ((segid A and resid 27 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HA )) ((segid A and resid 28 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HB1 )) ((segid A and resid 28 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HB2 )) ((segid A and resid 28 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HB# )) ((segid A and resid 28 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HB# )) ((segid A and resid 28 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HD1# )) ((segid A and resid 28 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HD1# )) ((segid A and resid 33 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HD1# )) ((segid A and resid 33 and name HB1 )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HD1# )) ((segid A and resid 33 and name HB2 )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HD1# )) ((segid A and resid 36 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HD1# )) ((segid A and resid 37 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HD1# )) ((segid A and resid 37 and name HG )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HD2# )) ((segid A and resid 28 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HD2# )) ((segid A and resid 28 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HD2# )) ((segid A and resid 33 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HD2# )) ((segid A and resid 33 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HD2# )) ((segid A and resid 36 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HN )) ((segid A and resid 24 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 23 and name HN )) ((segid A and resid 25 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 24 and name HA )) ((segid A and resid 26 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 24 and name HA )) ((segid A and resid 28 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 24 and name HB# )) ((segid A and resid 26 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 24 and name HN )) ((segid A and resid 25 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 24 and name HN )) ((segid A and resid 26 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 25 and name HA )) ((segid A and resid 27 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 25 and name HB# )) ((segid A and resid 26 and name HD2 )) 1.80 0.00 3.20
assign ((segid A and resid 25 and name HB# )) ((segid A and resid 27 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 25 and name HN )) ((segid A and resid 26 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 25 and name HN )) ((segid A and resid 27 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 26 and name HB1 )) ((segid A and resid 28 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 26 and name HB2 )) ((segid A and resid 28 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 26 and name HB# )) ((segid A and resid 28 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 26 and name HN )) ((segid A and resid 27 and name HN )) 1.80 0.00 1.10
assign ((segid A and resid 26 and name HN )) ((segid A and resid 28 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 26 and name HN )) ((segid A and resid 28 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 27 and name HA )) ((segid A and resid 28 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 27 and name HN )) ((segid A and resid 28 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 28 and name HA )) ((segid A and resid 29 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 28 and name HA )) ((segid A and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 28 and name HB# )) ((segid A and resid 29 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 28 and name HB# )) ((segid A and resid 32 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 28 and name HB# )) ((segid A and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 28 and name HB# )) ((segid A and resid 32 and name HG )) 1.80 0.00 3.20
assign ((segid A and resid 28 and name HB# )) ((segid A and resid 33 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 28 and name HB# )) ((segid A and resid 33 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 28 and name HN )) ((segid A and resid 29 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 29 and name HB1 )) ((segid A and resid 30 and name HN )) 1.80 0.00 2.20
assign ((segid A and resid 29 and name HB1 )) ((segid A and resid 31 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 29 and name HB2 )) ((segid A and resid 30 and name HN )) 1.80 0.00 2.20
assign ((segid A and resid 29 and name HB2 )) ((segid A and resid 31 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 29 and name HB# )) ((segid A and resid 32 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 29 and name HD1 )) ((segid A and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 29 and name HD2 )) ((segid A and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 29 and name HD# )) ((segid A and resid 32 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 29 and name HD# )) ((segid A and resid 32 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 29 and name HG# )) ((segid A and resid 32 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 29 and name HG# )) ((segid A and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 30 and name HA )) ((segid A and resid 33 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 30 and name HA )) ((segid A and resid 34 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 30 and name HG2# )) ((segid A and resid 34 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 30 and name HG2# )) ((segid A and resid 34 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 30 and name HG2# )) ((segid A and resid 34 and name HG )) 1.80 0.00 3.20
assign ((segid A and resid 30 and name HG2# )) ((segid A and resid 34 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 30 and name HN )) ((segid A and resid 33 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 31 and name HA )) ((segid A and resid 34 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 31 and name HA )) ((segid A and resid 34 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 31 and name HA )) ((segid A and resid 34 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 31 and name HA )) ((segid A and resid 35 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 31 and name HB# )) ((segid A and resid 35 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 31 and name HN )) ((segid A and resid 32 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 31 and name HN )) ((segid A and resid 33 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 32 and name HA )) ((segid A and resid 35 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 32 and name HA )) ((segid A and resid 35 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 32 and name HA )) ((segid A and resid 35 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 32 and name HA )) ((segid A and resid 36 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 32 and name HD1# )) ((segid A and resid 35 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 32 and name HD1# )) ((segid A and resid 35 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 32 and name HD1# )) ((segid A and resid 35 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 32 and name HD1# )) ((segid A and resid 36 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 32 and name HD1# )) ((segid A and resid 36 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 32 and name HN )) ((segid A and resid 33 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 32 and name HN )) ((segid A and resid 34 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 32 and name HN )) ((segid A and resid 35 and name HN )) 1.80 0.00 3.20
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assign ((segid A and resid 33 and name HA )) ((segid A and resid 36 and name HN )) 1.80 0.00 3.20
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assign ((segid A and resid 33 and name HN )) ((segid A and resid 34 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 33 and name HN )) ((segid A and resid 34 and name HG )) 1.80 0.00 3.20
assign ((segid A and resid 33 and name HN )) ((segid A and resid 35 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 33 and name HN )) ((segid A and resid 36 and name HN )) 1.80 0.00 3.20
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assign ((segid A and resid 34 and name HA )) ((segid A and resid 37 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HA )) ((segid A and resid 38 and name HN )) 1.80 0.00 3.20
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assign ((segid A and resid 34 and name HD2# )) ((segid A and resid 37 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HN )) ((segid A and resid 35 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 34 and name HN )) ((segid A and resid 36 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HN )) ((segid A and resid 37 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HN )) ((segid A and resid 37 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 35 and name HA )) ((segid A and resid 38 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 35 and name HA )) ((segid A and resid 39 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 35 and name HB# )) ((segid A and resid 39 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 35 and name HG# )) ((segid A and resid 39 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 35 and name HN )) ((segid A and resid 36 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 35 and name HN )) ((segid A and resid 37 and name HN )) 1.80 0.00 3.20
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assign ((segid A and resid 36 and name HA )) ((segid A and resid 39 and name HN )) 1.80 0.00 3.20
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assign ((segid A and resid 36 and name HB# )) ((segid A and resid 39 and name HN )) 1.80 0.00 3.20
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assign ((segid A and resid 37 and name HA )) ((segid A and resid 40 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 37 and name HA )) ((segid A and resid 41 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 37 and name HB# )) ((segid A and resid 41 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 37 and name HD1# )) ((segid A and resid 40 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 37 and name HN )) ((segid A and resid 38 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 37 and name HN )) ((segid A and resid 39 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 37 and name HN )) ((segid A and resid 40 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HA1 )) ((segid A and resid 41 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HA2 )) ((segid A and resid 41 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HA# )) ((segid A and resid 40 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HA# )) ((segid A and resid 41 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HA# )) ((segid A and resid 41 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HA# )) ((segid A and resid 41 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HN )) ((segid A and resid 39 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HN )) ((segid A and resid 39 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 38 and name HN )) ((segid A and resid 40 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HN )) ((segid A and resid 41 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 39 and name HA )) ((segid A and resid 42 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 39 and name HA )) ((segid A and resid 42 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 39 and name HA )) ((segid A and resid 42 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 39 and name HA )) ((segid A and resid 43 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 39 and name HB# )) ((segid A and resid 42 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 39 and name HB# )) ((segid A and resid 43 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 39 and name HN )) ((segid A and resid 40 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 39 and name HN )) ((segid A and resid 40 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 39 and name HN )) ((segid A and resid 41 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 40 and name HA )) ((segid A and resid 42 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 40 and name HA )) ((segid A and resid 43 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 40 and name HA )) ((segid A and resid 43 and name HD2 )) 1.80 0.00 3.20
assign ((segid A and resid 40 and name HA )) ((segid A and resid 43 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 40 and name HB# )) ((segid A and resid 43 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 40 and name HN )) ((segid A and resid 41 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 40 and name HN )) ((segid A and resid 41 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 40 and name HN )) ((segid A and resid 41 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 40 and name HN )) ((segid A and resid 42 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HA )) ((segid A and resid 44 and name HB1 )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HA )) ((segid A and resid 44 and name HB2 )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HA )) ((segid A and resid 44 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HA )) ((segid A and resid 44 and name HG )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HA )) ((segid A and resid 44 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HA )) ((segid A and resid 45 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG1# )) ((segid A and resid 42 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG1# )) ((segid A and resid 42 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG1# )) ((segid A and resid 45 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG1# )) ((segid A and resid 45 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG1# )) ((segid A and resid 45 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG1# )) ((segid A and resid 45 and name HG )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG1# )) ((segid A and resid 45 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG1# )) ((segid A and resid 61 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG1# )) ((segid A and resid 61 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG1# )) ((segid A and resid 61 and name HZ )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG1# )) ((segid A and resid 65 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG1# )) ((segid A and resid 65 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG2# )) ((segid A and resid 61 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG2# )) ((segid A and resid 61 and name HZ )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HN )) ((segid A and resid 42 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 41 and name HN )) ((segid A and resid 43 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 42 and name HA )) ((segid A and resid 45 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 42 and name HA )) ((segid A and resid 45 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 42 and name HA )) ((segid A and resid 45 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 42 and name HA )) ((segid A and resid 46 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 42 and name HG2# )) ((segid A and resid 46 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 42 and name HG2# )) ((segid A and resid 46 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 43 and name HA )) ((segid A and resid 46 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 43 and name HA )) ((segid A and resid 47 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 43 and name HB# )) ((segid A and resid 44 and name HG )) 1.80 0.00 3.20
assign ((segid A and resid 43 and name HD2 )) ((segid A and resid 44 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 43 and name HD2 )) ((segid A and resid 44 and name HG )) 1.80 0.00 3.20
assign ((segid A and resid 43 and name HN )) ((segid A and resid 44 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 44 and name HA )) ((segid A and resid 47 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 44 and name HA )) ((segid A and resid 47 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 44 and name HA )) ((segid A and resid 48 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 44 and name HN )) ((segid A and resid 45 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 45 and name HA )) ((segid A and resid 48 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HA )) ((segid A and resid 49 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HA )) ((segid A and resid 49 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HA )) ((segid A and resid 54 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HD1# )) ((segid A and resid 57 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HD1# )) ((segid A and resid 57 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HD1# )) ((segid A and resid 58 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HD2# )) ((segid A and resid 49 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HD2# )) ((segid A and resid 49 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HD2# )) ((segid A and resid 49 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HD2# )) ((segid A and resid 49 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HD2# )) ((segid A and resid 54 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HD2# )) ((segid A and resid 54 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HD2# )) ((segid A and resid 54 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HD2# )) ((segid A and resid 54 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HD2# )) ((segid A and resid 54 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HD2# )) ((segid A and resid 57 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HD2# )) ((segid A and resid 57 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HD2# )) ((segid A and resid 58 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HD2# )) ((segid A and resid 58 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HN )) ((segid A and resid 46 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 46 and name HA )) ((segid A and resid 49 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 46 and name HA )) ((segid A and resid 54 and name HD1 )) 1.80 0.00 3.20
assign ((segid A and resid 46 and name HA )) ((segid A and resid 54 and name HD2 )) 1.80 0.00 3.20
assign ((segid A and resid 46 and name HA )) ((segid A and resid 54 and name HE )) 1.80 0.00 3.20
assign ((segid A and resid 46 and name HG# )) ((segid A and resid 54 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 46 and name HG# )) ((segid A and resid 54 and name HE )) 1.80 0.00 3.20
assign ((segid A and resid 46 and name HG# )) ((segid A and resid 54 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 46 and name HN )) ((segid A and resid 47 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 47 and name HA )) ((segid A and resid 49 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 47 and name HN )) ((segid A and resid 48 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 48 and name HN )) ((segid A and resid 49 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 48 and name HN )) ((segid A and resid 49 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 48 and name HN )) ((segid A and resid 49 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 49 and name HB )) ((segid A and resid 54 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 49 and name HB )) ((segid A and resid 54 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 49 and name HG1# )) ((segid A and resid 50 and name HD1 )) 1.80 0.00 3.20
assign ((segid A and resid 49 and name HG1# )) ((segid A and resid 50 and name HD2 )) 1.80 0.00 3.20
assign ((segid A and resid 49 and name HG1# )) ((segid A and resid 53 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 49 and name HG1# )) ((segid A and resid 53 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 49 and name HG1# )) ((segid A and resid 54 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 49 and name HG1# )) ((segid A and resid 54 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 49 and name HG1# )) ((segid A and resid 54 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 49 and name HG1# )) ((segid A and resid 54 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 49 and name HG1# )) ((segid A and resid 57 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 49 and name HG2# )) ((segid A and resid 50 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 49 and name HG2# )) ((segid A and resid 54 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 49 and name HN )) ((segid A and resid 50 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 49 and name HN )) ((segid A and resid 54 and name HE )) 1.80 0.00 3.20
assign ((segid A and resid 50 and name HA )) ((segid A and resid 51 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 50 and name HA )) ((segid A and resid 52 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 50 and name HB1 )) ((segid A and resid 52 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 50 and name HB# )) ((segid A and resid 53 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 50 and name HB2 )) ((segid A and resid 52 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 50 and name HB# )) ((segid A and resid 53 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 50 and name HD1 )) ((segid A and resid 53 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 50 and name HD2 )) ((segid A and resid 53 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 50 and name HG# )) ((segid A and resid 53 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 51 and name HA )) ((segid A and resid 53 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 51 and name HA )) ((segid A and resid 54 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 51 and name HA )) ((segid A and resid 54 and name HE )) 1.80 0.00 3.20
assign ((segid A and resid 51 and name HA )) ((segid A and resid 54 and name HH## )) 1.80 0.00 3.20
assign ((segid A and resid 51 and name HA )) ((segid A and resid 54 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 51 and name HB# )) ((segid A and resid 53 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 51 and name HB# )) ((segid A and resid 54 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 51 and name HB# )) ((segid A and resid 54 and name HE )) 1.80 0.00 3.20
assign ((segid A and resid 51 and name HB# )) ((segid A and resid 54 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 51 and name HN )) ((segid A and resid 52 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 51 and name HN )) ((segid A and resid 53 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 51 and name HN )) ((segid A and resid 54 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 51 and name HN )) ((segid A and resid 54 and name HE )) 1.80 0.00 3.20
assign ((segid A and resid 51 and name HN )) ((segid A and resid 54 and name HH## )) 1.80 0.00 3.20
assign ((segid A and resid 52 and name HA )) ((segid A and resid 54 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 52 and name HA )) ((segid A and resid 55 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 52 and name HN )) ((segid A and resid 53 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 52 and name HN )) ((segid A and resid 54 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 53 and name HA )) ((segid A and resid 56 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 53 and name HA )) ((segid A and resid 56 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 53 and name HA )) ((segid A and resid 57 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 53 and name HA )) ((segid A and resid 57 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 53 and name HB# )) ((segid A and resid 56 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 53 and name HB# )) ((segid A and resid 57 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 53 and name HB# )) ((segid A and resid 57 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 53 and name HN )) ((segid A and resid 54 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 53 and name HN )) ((segid A and resid 54 and name HN )) 1.80 0.00 1.10
assign ((segid A and resid 53 and name HN )) ((segid A and resid 55 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 54 and name HA )) ((segid A and resid 56 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 54 and name HA )) ((segid A and resid 57 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 54 and name HA )) ((segid A and resid 57 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 54 and name HA )) ((segid A and resid 57 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 54 and name HA )) ((segid A and resid 58 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 54 and name HN )) ((segid A and resid 55 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 54 and name HN )) ((segid A and resid 56 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 55 and name HA )) ((segid A and resid 58 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 55 and name HA )) ((segid A and resid 58 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 55 and name HG# )) ((segid A and resid 58 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 55 and name HN )) ((segid A and resid 56 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 55 and name HN )) ((segid A and resid 56 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 55 and name HN )) ((segid A and resid 57 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 56 and name HA )) ((segid A and resid 58 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 56 and name HA )) ((segid A and resid 59 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 56 and name HA )) ((segid A and resid 59 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 56 and name HA )) ((segid A and resid 60 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 56 and name HB# )) ((segid A and resid 57 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 56 and name HB# )) ((segid A and resid 59 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 56 and name HB# )) ((segid A and resid 59 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 56 and name HB# )) ((segid A and resid 60 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 56 and name HB# )) ((segid A and resid 60 and name HE2# )) 1.80 0.00 3.20
assign ((segid A and resid 56 and name HN )) ((segid A and resid 57 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 57 and name HA )) ((segid A and resid 59 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 57 and name HA )) ((segid A and resid 60 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 57 and name HA )) ((segid A and resid 60 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 57 and name HA )) ((segid A and resid 60 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 57 and name HA )) ((segid A and resid 61 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 57 and name HG1# )) ((segid A and resid 58 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 57 and name HG1# )) ((segid A and resid 60 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 57 and name HG1# )) ((segid A and resid 61 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 57 and name HN )) ((segid A and resid 58 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 57 and name HN )) ((segid A and resid 59 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 58 and name HA )) ((segid A and resid 61 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 58 and name HA )) ((segid A and resid 61 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 58 and name HA )) ((segid A and resid 62 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 58 and name HB# )) ((segid A and resid 60 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 58 and name HB# )) ((segid A and resid 61 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 58 and name HB# )) ((segid A and resid 62 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 58 and name HB# )) ((segid A and resid 62 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 58 and name HN )) ((segid A and resid 59 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 58 and name HN )) ((segid A and resid 59 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 59 and name HA )) ((segid A and resid 62 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 59 and name HA )) ((segid A and resid 62 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 59 and name HA )) ((segid A and resid 63 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 59 and name HB# )) ((segid A and resid 62 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 59 and name HB# )) ((segid A and resid 63 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 59 and name HG# )) ((segid A and resid 62 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 59 and name HN )) ((segid A and resid 60 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 59 and name HN )) ((segid A and resid 61 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 60 and name HA )) ((segid A and resid 62 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 60 and name HA )) ((segid A and resid 63 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 60 and name HA )) ((segid A and resid 63 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 60 and name HA )) ((segid A and resid 64 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 60 and name HB# )) ((segid A and resid 62 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 60 and name HB# )) ((segid A and resid 63 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 60 and name HN )) ((segid A and resid 61 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 60 and name HN )) ((segid A and resid 62 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 61 and name HA )) ((segid A and resid 64 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 61 and name HA )) ((segid A and resid 64 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 61 and name HA )) ((segid A and resid 65 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 61 and name HD# )) ((segid A and resid 65 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 61 and name HD# )) ((segid A and resid 65 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 61 and name HE# )) ((segid A and resid 64 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 61 and name HE# )) ((segid A and resid 65 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 61 and name HN )) ((segid A and resid 62 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 61 and name HN )) ((segid A and resid 62 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 61 and name HN )) ((segid A and resid 64 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 61 and name HZ )) ((segid A and resid 65 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 62 and name HA )) ((segid A and resid 65 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 62 and name HA )) ((segid A and resid 65 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 62 and name HA )) ((segid A and resid 65 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 62 and name HA )) ((segid A and resid 65 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 62 and name HA )) ((segid A and resid 66 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 62 and name HB# )) ((segid A and resid 65 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 62 and name HB# )) ((segid A and resid 65 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 62 and name HN )) ((segid A and resid 63 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 62 and name HN )) ((segid A and resid 64 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 63 and name HA )) ((segid A and resid 66 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 63 and name HA )) ((segid A and resid 66 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 63 and name HA )) ((segid A and resid 67 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 63 and name HN )) ((segid A and resid 64 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 63 and name HN )) ((segid A and resid 64 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 63 and name HN )) ((segid A and resid 65 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 64 and name HA )) ((segid A and resid 67 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 64 and name HA )) ((segid A and resid 67 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 64 and name HA )) ((segid A and resid 68 and name HN )) 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 1.70
assign ((segid A and resid 65 and name HA )) ((segid A and resid 68 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 65 and name HB# )) ((segid A and resid 68 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 65 and name HD1# )) ((segid A and resid 69 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 65 and name HN )) ((segid A and resid 66 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 65 and name HN )) ((segid A and resid 67 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 66 and name HA )) ((segid A and resid 69 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 66 and name HA )) ((segid A and resid 69 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 66 and name HA )) ((segid A and resid 69 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 66 and name HA )) ((segid A and resid 70 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 66 and name HB# )) ((segid A and resid 69 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 66 and name HB# )) ((segid A and resid 70 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 66 and name HN )) ((segid A and resid 68 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 67 and name HA )) ((segid A and resid 70 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 67 and name HA )) ((segid A and resid 70 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 67 and name HN )) ((segid A and resid 69 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 68 and name HA )) ((segid A and resid 70 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 68 and name HN )) ((segid A and resid 69 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 68 and name HN )) ((segid A and resid 69 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 68 and name HN )) ((segid A and resid 69 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 68 and name HN )) ((segid A and resid 70 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 69 and name HA )) ((segid A and resid 72 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 69 and name HA )) ((segid A and resid 72 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 69 and name HN )) ((segid A and resid 70 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 69 and name HN )) ((segid A and resid 71 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 70 and name HA )) ((segid A and resid 73 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 70 and name HA )) ((segid A and resid 73 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 71 and name HA )) ((segid A and resid 74 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 71 and name HN )) ((segid A and resid 72 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 72 and name HN )) ((segid A and resid 73 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 5 and name HA )) ((segid B and resid 7 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 5 and name HB# )) ((segid B and resid 7 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 6 and name HB# )) ((segid B and resid 7 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 6 and name HB# )) ((segid B and resid 7 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 6 and name HD# )) ((segid B and resid 7 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 6 and name HE# )) ((segid B and resid 7 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HB1 )) ((segid B and resid 12 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HB2 )) ((segid B and resid 12 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HB# )) ((segid B and resid 11 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HD# )) ((segid B and resid 11 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HD# )) ((segid B and resid 12 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HE# )) ((segid B and resid 12 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 8 and name HA )) ((segid B and resid 11 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 8 and name HA )) ((segid B and resid 9 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 8 and name HB# )) ((segid B and resid 10 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 8 and name HB# )) ((segid B and resid 11 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 8 and name HN )) ((segid B and resid 11 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 8 and name HN )) ((segid B and resid 11 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 8 and name HN )) ((segid B and resid 11 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 8 and name HN )) ((segid B and resid 12 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 9 and name HA )) ((segid B and resid 11 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 9 and name HA )) ((segid B and resid 12 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 9 and name HA )) ((segid B and resid 12 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 9 and name HA )) ((segid B and resid 12 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 9 and name HA )) ((segid B and resid 12 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 9 and name HA )) ((segid B and resid 13 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 9 and name HN )) ((segid B and resid 10 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 9 and name HN )) ((segid B and resid 11 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 10 and name HA )) ((segid B and resid 13 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 10 and name HA )) ((segid B and resid 13 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 10 and name HA )) ((segid B and resid 13 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 10 and name HG2# )) ((segid B and resid 14 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 10 and name HN )) ((segid B and resid 11 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 10 and name HN )) ((segid B and resid 11 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 10 and name HN )) ((segid B and resid 13 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 11 and name HA )) ((segid B and resid 14 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 11 and name HG# )) ((segid B and resid 15 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 11 and name HN )) ((segid B and resid 12 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 11 and name HN )) ((segid B and resid 13 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 12 and name HA )) ((segid B and resid 14 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 12 and name HA )) ((segid B and resid 15 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 12 and name HA )) ((segid B and resid 15 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 12 and name HA )) ((segid B and resid 15 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 12 and name HA )) ((segid B and resid 15 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 12 and name HA )) ((segid B and resid 16 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 12 and name HG1# )) ((segid B and resid 15 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 12 and name HG1# )) ((segid B and resid 16 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 12 and name HG1# )) ((segid B and resid 16 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 12 and name HG1# )) ((segid B and resid 16 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 12 and name HG2# )) ((segid B and resid 16 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 12 and name HN )) ((segid B and resid 13 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 12 and name HN )) ((segid B and resid 14 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 12 and name HN )) ((segid B and resid 15 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 13 and name HA )) ((segid B and resid 16 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 13 and name HA )) ((segid B and resid 16 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 13 and name HA )) ((segid B and resid 16 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 13 and name HA )) ((segid B and resid 17 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 13 and name HB# )) ((segid B and resid 15 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 13 and name HG# )) ((segid B and resid 16 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 13 and name HN )) ((segid B and resid 14 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 13 and name HN )) ((segid B and resid 15 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 14 and name HA )) ((segid B and resid 17 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 14 and name HA )) ((segid B and resid 17 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 14 and name HA )) ((segid B and resid 18 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 14 and name HB# )) ((segid B and resid 17 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 14 and name HN )) ((segid B and resid 15 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 14 and name HN )) ((segid B and resid 17 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HA )) ((segid B and resid 17 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HA )) ((segid B and resid 18 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HA )) ((segid B and resid 18 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HA )) ((segid B and resid 19 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HB# )) ((segid B and resid 19 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HN )) ((segid B and resid 16 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HN )) ((segid B and resid 16 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HN )) ((segid B and resid 16 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 15 and name HN )) ((segid B and resid 17 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HA )) ((segid B and resid 18 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HA )) ((segid B and resid 19 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HA )) ((segid B and resid 19 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HA )) ((segid B and resid 19 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HA )) ((segid B and resid 19 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HA )) ((segid B and resid 20 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HG2# )) ((segid B and resid 20 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HG2# )) ((segid B and resid 20 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HG2# )) ((segid B and resid 20 and name HG )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HN )) ((segid B and resid 18 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 17 and name HA )) ((segid B and resid 20 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 17 and name HA )) ((segid B and resid 20 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 17 and name HA )) ((segid B and resid 20 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 17 and name HN )) ((segid B and resid 18 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 17 and name HN )) ((segid B and resid 18 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 18 and name HA )) ((segid B and resid 21 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 18 and name HA )) ((segid B and resid 21 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 18 and name HA )) ((segid B and resid 21 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 18 and name HA )) ((segid B and resid 22 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 18 and name HN )) ((segid B and resid 19 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 18 and name HN )) ((segid B and resid 19 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 18 and name HN )) ((segid B and resid 20 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HA )) ((segid B and resid 21 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HA )) ((segid B and resid 22 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HA )) ((segid B and resid 22 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HA )) ((segid B and resid 22 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HN )) ((segid B and resid 20 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 19 and name HN )) ((segid B and resid 21 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HN )) ((segid B and resid 22 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 20 and name HA )) ((segid B and resid 23 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 20 and name HA )) ((segid B and resid 23 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 20 and name HN )) ((segid B and resid 21 and name HG## )) 1.80 0.00 3.20
assign ((segid B and resid 20 and name HN )) ((segid B and resid 21 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 20 and name HN )) ((segid B and resid 22 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 21 and name HA )) ((segid B and resid 24 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 21 and name HA )) ((segid B and resid 24 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 21 and name HA )) ((segid B and resid 24 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 21 and name HA )) ((segid B and resid 25 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 21 and name HG1# )) ((segid B and resid 24 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 21 and name HG1# )) ((segid B and resid 25 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 21 and name HG1# )) ((segid B and resid 25 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 21 and name HG1# )) ((segid B and resid 25 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 21 and name HG1# )) ((segid B and resid 25 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 21 and name HG2# )) ((segid B and resid 24 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 21 and name HG## )) ((segid B and resid 25 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 21 and name HN )) ((segid B and resid 22 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 21 and name HN )) ((segid B and resid 22 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 22 and name HA )) ((segid B and resid 25 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 22 and name HA )) ((segid B and resid 25 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 22 and name HA )) ((segid B and resid 25 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 22 and name HA )) ((segid B and resid 26 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 22 and name HG1# )) ((segid B and resid 25 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 22 and name HG1# )) ((segid B and resid 26 and name HD2 )) 1.80 0.00 3.20
assign ((segid B and resid 22 and name HG2# )) ((segid B and resid 25 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 22 and name HG2# )) ((segid B and resid 25 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 22 and name HN )) ((segid B and resid 23 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 22 and name HN )) ((segid B and resid 23 and name HG )) 1.80 0.00 3.20
assign ((segid B and resid 22 and name HN )) ((segid B and resid 24 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HA )) ((segid B and resid 25 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HA )) ((segid B and resid 26 and name HD2 )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HA )) ((segid B and resid 26 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HA )) ((segid B and resid 27 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HA )) ((segid B and resid 28 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HB1 )) ((segid B and resid 28 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HB2 )) ((segid B and resid 28 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HB# )) ((segid B and resid 28 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HB# )) ((segid B and resid 28 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HD1# )) ((segid B and resid 28 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HD1# )) ((segid B and resid 33 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HD1# )) ((segid B and resid 33 and name HB1 )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HD1# )) ((segid B and resid 33 and name HB2 )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HD1# )) ((segid B and resid 36 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HD1# )) ((segid B and resid 37 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HD1# )) ((segid B and resid 37 and name HG )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HD2# )) ((segid B and resid 28 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HD2# )) ((segid B and resid 28 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HD2# )) ((segid B and resid 33 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HD2# )) ((segid B and resid 33 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HD2# )) ((segid B and resid 36 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HN )) ((segid B and resid 24 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 23 and name HN )) ((segid B and resid 25 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 24 and name HA )) ((segid B and resid 26 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 24 and name HA )) ((segid B and resid 28 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 24 and name HB# )) ((segid B and resid 26 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 24 and name HN )) ((segid B and resid 25 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 24 and name HN )) ((segid B and resid 26 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 25 and name HA )) ((segid B and resid 27 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 25 and name HB# )) ((segid B and resid 26 and name HD2 )) 1.80 0.00 3.20
assign ((segid B and resid 25 and name HB# )) ((segid B and resid 27 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 25 and name HN )) ((segid B and resid 26 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 25 and name HN )) ((segid B and resid 27 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 26 and name HB1 )) ((segid B and resid 28 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 26 and name HB2 )) ((segid B and resid 28 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 26 and name HB# )) ((segid B and resid 28 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 26 and name HN )) ((segid B and resid 27 and name HN )) 1.80 0.00 1.10
assign ((segid B and resid 26 and name HN )) ((segid B and resid 28 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 26 and name HN )) ((segid B and resid 28 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 27 and name HA )) ((segid B and resid 28 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 27 and name HN )) ((segid B and resid 28 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 28 and name HA )) ((segid B and resid 29 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 28 and name HA )) ((segid B and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 28 and name HB# )) ((segid B and resid 29 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 28 and name HB# )) ((segid B and resid 32 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 28 and name HB# )) ((segid B and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 28 and name HB# )) ((segid B and resid 32 and name HG )) 1.80 0.00 3.20
assign ((segid B and resid 28 and name HB# )) ((segid B and resid 33 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 28 and name HB# )) ((segid B and resid 33 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 28 and name HN )) ((segid B and resid 29 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 29 and name HB1 )) ((segid B and resid 30 and name HN )) 1.80 0.00 2.20
assign ((segid B and resid 29 and name HB1 )) ((segid B and resid 31 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 29 and name HB2 )) ((segid B and resid 30 and name HN )) 1.80 0.00 2.20
assign ((segid B and resid 29 and name HB2 )) ((segid B and resid 31 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 29 and name HB# )) ((segid B and resid 32 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 29 and name HD1 )) ((segid B and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 29 and name HD2 )) ((segid B and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 29 and name HD# )) ((segid B and resid 32 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 29 and name HD# )) ((segid B and resid 32 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 29 and name HG# )) ((segid B and resid 32 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 29 and name HG# )) ((segid B and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 30 and name HA )) ((segid B and resid 33 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 30 and name HA )) ((segid B and resid 34 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 30 and name HG2# )) ((segid B and resid 34 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 30 and name HG2# )) ((segid B and resid 34 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 30 and name HG2# )) ((segid B and resid 34 and name HG )) 1.80 0.00 3.20
assign ((segid B and resid 30 and name HG2# )) ((segid B and resid 34 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 30 and name HN )) ((segid B and resid 33 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 31 and name HA )) ((segid B and resid 34 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 31 and name HA )) ((segid B and resid 34 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 31 and name HA )) ((segid B and resid 34 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 31 and name HA )) ((segid B and resid 35 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 31 and name HB# )) ((segid B and resid 35 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 31 and name HN )) ((segid B and resid 32 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 31 and name HN )) ((segid B and resid 33 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 32 and name HA )) ((segid B and resid 35 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 32 and name HA )) ((segid B and resid 35 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 32 and name HA )) ((segid B and resid 35 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 32 and name HA )) ((segid B and resid 36 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 32 and name HD1# )) ((segid B and resid 35 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 32 and name HD1# )) ((segid B and resid 35 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 32 and name HD1# )) ((segid B and resid 35 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 32 and name HD1# )) ((segid B and resid 36 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 32 and name HD1# )) ((segid B and resid 36 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 32 and name HN )) ((segid B and resid 33 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 32 and name HN )) ((segid B and resid 34 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 32 and name HN )) ((segid B and resid 35 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 33 and name HA )) ((segid B and resid 36 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 33 and name HA )) ((segid B and resid 36 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 33 and name HB# )) ((segid B and resid 37 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 33 and name HN )) ((segid B and resid 34 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 33 and name HN )) ((segid B and resid 34 and name HG )) 1.80 0.00 3.20
assign ((segid B and resid 33 and name HN )) ((segid B and resid 35 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 33 and name HN )) ((segid B and resid 36 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HA )) ((segid B and resid 37 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HA )) ((segid B and resid 37 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HA )) ((segid B and resid 38 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HD2# )) ((segid B and resid 37 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HD2# )) ((segid B and resid 37 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HN )) ((segid B and resid 35 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 34 and name HN )) ((segid B and resid 36 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HN )) ((segid B and resid 37 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HN )) ((segid B and resid 37 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 35 and name HA )) ((segid B and resid 38 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 35 and name HA )) ((segid B and resid 39 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 35 and name HB# )) ((segid B and resid 39 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 35 and name HG# )) ((segid B and resid 39 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 35 and name HN )) ((segid B and resid 36 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 35 and name HN )) ((segid B and resid 37 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 36 and name HA )) ((segid B and resid 39 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 36 and name HA )) ((segid B and resid 39 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 36 and name HB# )) ((segid B and resid 39 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 36 and name HB# )) ((segid B and resid 39 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 37 and name HA )) ((segid B and resid 40 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 37 and name HA )) ((segid B and resid 40 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 37 and name HA )) ((segid B and resid 41 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 37 and name HB# )) ((segid B and resid 41 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 37 and name HD1# )) ((segid B and resid 40 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 37 and name HN )) ((segid B and resid 38 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 37 and name HN )) ((segid B and resid 39 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 37 and name HN )) ((segid B and resid 40 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HA1 )) ((segid B and resid 41 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HA2 )) ((segid B and resid 41 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HA# )) ((segid B and resid 40 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HA# )) ((segid B and resid 41 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HA# )) ((segid B and resid 41 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HA# )) ((segid B and resid 41 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HN )) ((segid B and resid 39 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HN )) ((segid B and resid 39 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 38 and name HN )) ((segid B and resid 40 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HN )) ((segid B and resid 41 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 39 and name HA )) ((segid B and resid 42 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 39 and name HA )) ((segid B and resid 42 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 39 and name HA )) ((segid B and resid 42 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 39 and name HA )) ((segid B and resid 43 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 39 and name HB# )) ((segid B and resid 42 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 39 and name HB# )) ((segid B and resid 43 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 39 and name HN )) ((segid B and resid 40 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 39 and name HN )) ((segid B and resid 40 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 39 and name HN )) ((segid B and resid 41 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 40 and name HA )) ((segid B and resid 42 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 40 and name HA )) ((segid B and resid 43 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 40 and name HA )) ((segid B and resid 43 and name HD2 )) 1.80 0.00 3.20
assign ((segid B and resid 40 and name HA )) ((segid B and resid 43 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 40 and name HB# )) ((segid B and resid 43 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 40 and name HN )) ((segid B and resid 41 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 40 and name HN )) ((segid B and resid 41 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 40 and name HN )) ((segid B and resid 41 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 40 and name HN )) ((segid B and resid 42 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HA )) ((segid B and resid 44 and name HB1 )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HA )) ((segid B and resid 44 and name HB2 )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HA )) ((segid B and resid 44 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HA )) ((segid B and resid 44 and name HG )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HA )) ((segid B and resid 44 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HA )) ((segid B and resid 45 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG1# )) ((segid B and resid 42 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG1# )) ((segid B and resid 42 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG1# )) ((segid B and resid 45 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG1# )) ((segid B and resid 45 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG1# )) ((segid B and resid 45 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG1# )) ((segid B and resid 45 and name HG )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG1# )) ((segid B and resid 45 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG1# )) ((segid B and resid 61 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG1# )) ((segid B and resid 61 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG1# )) ((segid B and resid 61 and name HZ )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG1# )) ((segid B and resid 65 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG1# )) ((segid B and resid 65 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG2# )) ((segid B and resid 61 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG2# )) ((segid B and resid 61 and name HZ )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HN )) ((segid B and resid 42 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 41 and name HN )) ((segid B and resid 43 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 42 and name HA )) ((segid B and resid 45 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 42 and name HA )) ((segid B and resid 45 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 42 and name HA )) ((segid B and resid 45 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 42 and name HA )) ((segid B and resid 46 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 42 and name HG2# )) ((segid B and resid 46 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 42 and name HG2# )) ((segid B and resid 46 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 43 and name HA )) ((segid B and resid 46 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 43 and name HA )) ((segid B and resid 47 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 43 and name HB# )) ((segid B and resid 44 and name HG )) 1.80 0.00 3.20
assign ((segid B and resid 43 and name HD2 )) ((segid B and resid 44 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 43 and name HD2 )) ((segid B and resid 44 and name HG )) 1.80 0.00 3.20
assign ((segid B and resid 43 and name HN )) ((segid B and resid 44 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 44 and name HA )) ((segid B and resid 47 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 44 and name HA )) ((segid B and resid 47 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 44 and name HA )) ((segid B and resid 48 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 44 and name HN )) ((segid B and resid 45 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 45 and name HA )) ((segid B and resid 48 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HA )) ((segid B and resid 49 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HA )) ((segid B and resid 49 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HA )) ((segid B and resid 54 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HD1# )) ((segid B and resid 57 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HD1# )) ((segid B and resid 57 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HD1# )) ((segid B and resid 58 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HD2# )) ((segid B and resid 49 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HD2# )) ((segid B and resid 49 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HD2# )) ((segid B and resid 49 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HD2# )) ((segid B and resid 49 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HD2# )) ((segid B and resid 54 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HD2# )) ((segid B and resid 54 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HD2# )) ((segid B and resid 54 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HD2# )) ((segid B and resid 54 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HD2# )) ((segid B and resid 54 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HD2# )) ((segid B and resid 57 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HD2# )) ((segid B and resid 57 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HD2# )) ((segid B and resid 58 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HD2# )) ((segid B and resid 58 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HN )) ((segid B and resid 46 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 46 and name HA )) ((segid B and resid 49 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 46 and name HA )) ((segid B and resid 54 and name HD1 )) 1.80 0.00 3.20
assign ((segid B and resid 46 and name HA )) ((segid B and resid 54 and name HD2 )) 1.80 0.00 3.20
assign ((segid B and resid 46 and name HA )) ((segid B and resid 54 and name HE )) 1.80 0.00 3.20
assign ((segid B and resid 46 and name HG# )) ((segid B and resid 54 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 46 and name HG# )) ((segid B and resid 54 and name HE )) 1.80 0.00 3.20
assign ((segid B and resid 46 and name HG# )) ((segid B and resid 54 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 46 and name HN )) ((segid B and resid 47 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 47 and name HA )) ((segid B and resid 49 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 47 and name HN )) ((segid B and resid 48 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 48 and name HN )) ((segid B and resid 49 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 48 and name HN )) ((segid B and resid 49 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 48 and name HN )) ((segid B and resid 49 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 49 and name HB )) ((segid B and resid 54 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 49 and name HB )) ((segid B and resid 54 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 49 and name HG1# )) ((segid B and resid 50 and name HD1 )) 1.80 0.00 3.20
assign ((segid B and resid 49 and name HG1# )) ((segid B and resid 50 and name HD2 )) 1.80 0.00 3.20
assign ((segid B and resid 49 and name HG1# )) ((segid B and resid 53 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 49 and name HG1# )) ((segid B and resid 53 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 49 and name HG1# )) ((segid B and resid 54 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 49 and name HG1# )) ((segid B and resid 54 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 49 and name HG1# )) ((segid B and resid 54 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 49 and name HG1# )) ((segid B and resid 54 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 49 and name HG1# )) ((segid B and resid 57 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 49 and name HG2# )) ((segid B and resid 50 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 49 and name HG2# )) ((segid B and resid 54 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 49 and name HN )) ((segid B and resid 50 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 49 and name HN )) ((segid B and resid 54 and name HE )) 1.80 0.00 3.20
assign ((segid B and resid 50 and name HA )) ((segid B and resid 51 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 50 and name HA )) ((segid B and resid 52 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 50 and name HB1 )) ((segid B and resid 52 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 50 and name HB# )) ((segid B and resid 53 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 50 and name HB2 )) ((segid B and resid 52 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 50 and name HB# )) ((segid B and resid 53 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 50 and name HD1 )) ((segid B and resid 53 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 50 and name HD2 )) ((segid B and resid 53 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 50 and name HG# )) ((segid B and resid 53 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 51 and name HA )) ((segid B and resid 53 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 51 and name HA )) ((segid B and resid 54 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 51 and name HA )) ((segid B and resid 54 and name HE )) 1.80 0.00 3.20
assign ((segid B and resid 51 and name HA )) ((segid B and resid 54 and name HH## )) 1.80 0.00 3.20
assign ((segid B and resid 51 and name HA )) ((segid B and resid 54 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 51 and name HB# )) ((segid B and resid 53 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 51 and name HB# )) ((segid B and resid 54 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 51 and name HB# )) ((segid B and resid 54 and name HE )) 1.80 0.00 3.20
assign ((segid B and resid 51 and name HB# )) ((segid B and resid 54 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 51 and name HN )) ((segid B and resid 52 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 51 and name HN )) ((segid B and resid 53 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 51 and name HN )) ((segid B and resid 54 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 51 and name HN )) ((segid B and resid 54 and name HE )) 1.80 0.00 3.20
assign ((segid B and resid 51 and name HN )) ((segid B and resid 54 and name HH## )) 1.80 0.00 3.20
assign ((segid B and resid 52 and name HA )) ((segid B and resid 54 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 52 and name HA )) ((segid B and resid 55 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 52 and name HN )) ((segid B and resid 53 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 52 and name HN )) ((segid B and resid 54 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 53 and name HA )) ((segid B and resid 56 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 53 and name HA )) ((segid B and resid 56 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 53 and name HA )) ((segid B and resid 57 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 53 and name HA )) ((segid B and resid 57 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 53 and name HB# )) ((segid B and resid 56 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 53 and name HB# )) ((segid B and resid 57 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 53 and name HB# )) ((segid B and resid 57 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 53 and name HN )) ((segid B and resid 54 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 53 and name HN )) ((segid B and resid 54 and name HN )) 1.80 0.00 1.10
assign ((segid B and resid 53 and name HN )) ((segid B and resid 55 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 54 and name HA )) ((segid B and resid 56 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 54 and name HA )) ((segid B and resid 57 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 54 and name HA )) ((segid B and resid 57 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 54 and name HA )) ((segid B and resid 57 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 54 and name HA )) ((segid B and resid 58 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 54 and name HN )) ((segid B and resid 55 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 54 and name HN )) ((segid B and resid 56 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 55 and name HA )) ((segid B and resid 58 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 55 and name HA )) ((segid B and resid 58 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 55 and name HG# )) ((segid B and resid 58 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 55 and name HN )) ((segid B and resid 56 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 55 and name HN )) ((segid B and resid 56 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 55 and name HN )) ((segid B and resid 57 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 56 and name HA )) ((segid B and resid 58 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 56 and name HA )) ((segid B and resid 59 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 56 and name HA )) ((segid B and resid 59 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 56 and name HA )) ((segid B and resid 60 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 56 and name HB# )) ((segid B and resid 57 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 56 and name HB# )) ((segid B and resid 59 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 56 and name HB# )) ((segid B and resid 59 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 56 and name HB# )) ((segid B and resid 60 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 56 and name HB# )) ((segid B and resid 60 and name HE2# )) 1.80 0.00 3.20
assign ((segid B and resid 56 and name HN )) ((segid B and resid 57 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 57 and name HA )) ((segid B and resid 59 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 57 and name HA )) ((segid B and resid 60 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 57 and name HA )) ((segid B and resid 60 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 57 and name HA )) ((segid B and resid 60 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 57 and name HA )) ((segid B and resid 61 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 57 and name HG1# )) ((segid B and resid 58 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 57 and name HG1# )) ((segid B and resid 60 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 57 and name HG1# )) ((segid B and resid 61 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 57 and name HN )) ((segid B and resid 58 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 57 and name HN )) ((segid B and resid 59 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 58 and name HA )) ((segid B and resid 61 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 58 and name HA )) ((segid B and resid 61 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 58 and name HA )) ((segid B and resid 62 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 58 and name HB# )) ((segid B and resid 60 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 58 and name HB# )) ((segid B and resid 61 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 58 and name HB# )) ((segid B and resid 62 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 58 and name HB# )) ((segid B and resid 62 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 58 and name HN )) ((segid B and resid 59 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 58 and name HN )) ((segid B and resid 59 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 59 and name HA )) ((segid B and resid 62 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 59 and name HA )) ((segid B and resid 62 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 59 and name HA )) ((segid B and resid 63 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 59 and name HB# )) ((segid B and resid 62 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 59 and name HB# )) ((segid B and resid 63 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 59 and name HG# )) ((segid B and resid 62 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 59 and name HN )) ((segid B and resid 60 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 59 and name HN )) ((segid B and resid 61 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 60 and name HA )) ((segid B and resid 62 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 60 and name HA )) ((segid B and resid 63 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 60 and name HA )) ((segid B and resid 63 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 60 and name HA )) ((segid B and resid 64 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 60 and name HB# )) ((segid B and resid 62 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 60 and name HB# )) ((segid B and resid 63 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 60 and name HN )) ((segid B and resid 61 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 60 and name HN )) ((segid B and resid 62 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 61 and name HA )) ((segid B and resid 64 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 61 and name HA )) ((segid B and resid 64 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 61 and name HA )) ((segid B and resid 65 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 61 and name HD# )) ((segid B and resid 65 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 61 and name HD# )) ((segid B and resid 65 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 61 and name HE# )) ((segid B and resid 64 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 61 and name HE# )) ((segid B and resid 65 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 61 and name HN )) ((segid B and resid 62 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 61 and name HN )) ((segid B and resid 62 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 61 and name HN )) ((segid B and resid 64 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 61 and name HZ )) ((segid B and resid 65 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 62 and name HA )) ((segid B and resid 65 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 62 and name HA )) ((segid B and resid 65 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 62 and name HA )) ((segid B and resid 65 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 62 and name HA )) ((segid B and resid 65 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 62 and name HA )) ((segid B and resid 66 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 62 and name HB# )) ((segid B and resid 65 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 62 and name HB# )) ((segid B and resid 65 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 62 and name HN )) ((segid B and resid 63 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 62 and name HN )) ((segid B and resid 64 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 63 and name HA )) ((segid B and resid 66 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 63 and name HA )) ((segid B and resid 66 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 63 and name HA )) ((segid B and resid 67 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 63 and name HN )) ((segid B and resid 64 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 63 and name HN )) ((segid B and resid 64 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 63 and name HN )) ((segid B and resid 65 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 64 and name HA )) ((segid B and resid 67 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 64 and name HA )) ((segid B and resid 67 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 64 and name HA )) ((segid B and resid 68 and name HN )) 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 1.70
assign ((segid B and resid 65 and name HA )) ((segid B and resid 68 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 65 and name HB# )) ((segid B and resid 68 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 65 and name HD1# )) ((segid B and resid 69 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 65 and name HN )) ((segid B and resid 66 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 65 and name HN )) ((segid B and resid 67 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 66 and name HA )) ((segid B and resid 69 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 66 and name HA )) ((segid B and resid 69 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 66 and name HA )) ((segid B and resid 69 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 66 and name HA )) ((segid B and resid 70 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 66 and name HB# )) ((segid B and resid 69 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 66 and name HB# )) ((segid B and resid 70 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 66 and name HN )) ((segid B and resid 68 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 67 and name HA )) ((segid B and resid 70 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 67 and name HA )) ((segid B and resid 70 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 67 and name HN )) ((segid B and resid 69 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 68 and name HA )) ((segid B and resid 70 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 68 and name HN )) ((segid B and resid 69 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 68 and name HN )) ((segid B and resid 69 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 68 and name HN )) ((segid B and resid 69 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 68 and name HN )) ((segid B and resid 70 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 69 and name HA )) ((segid B and resid 72 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 69 and name HA )) ((segid B and resid 72 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 69 and name HN )) ((segid B and resid 70 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 69 and name HN )) ((segid B and resid 71 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 70 and name HA )) ((segid B and resid 73 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 70 and name HA )) ((segid B and resid 73 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 71 and name HA )) ((segid B and resid 74 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 71 and name HN )) ((segid B and resid 72 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 72 and name HN )) ((segid B and resid 73 and name HB# )) 1.80 0.00 3.20
list of removed NOE constraints
484-> ALA A 28 HA - PRO A 29 HD1 1.80 5.00 # NoRestrctn S [2.00 3.95] -- sequential
485-> ALA A 28 HA - PRO A 29 HD2 1.80 5.00 # NoRestrctn S [2.00 3.95] -- sequential
662-> ARG A 47 HN - LYS A 48 HA 1.80 5.00 # NoRestrctn S [2.00 3.99] -- sequential
1011-> ALA B 28 HA - PRO B 29 HD1 1.80 5.00 # NoRestrctn S [2.00 3.95] -- sequential
1012-> ALA B 28 HA - PRO B 29 HD2 1.80 5.00 # NoRestrctn S [2.00 3.95] -- sequential
1189-> ARG B 47 HN - LYS B 48 HA 1.80 5.00 # NoRestrctn S [2.00 3.99] -- sequential
====== TOTAL ======: 6
table of distance constraints violations
Residual Violations greater than 0.10
-------------------------------------------
Number of Violations greater than 0.10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
-------------------------------------------
---- 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: 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00
0.2 - 0.5 ang: 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00
> 0.5 ang: 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00
Total : 54 58 52 62 61 55 64 55 60 62 47 57 63 57 53 62 65 65 49 64 58.25
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 : 0.019 0.017 0.029 0.029 0.019 0.028 0.021 0.026 0.027 0.030 0.017 0.018 0.027 0.019 0.028 0.021 0.030 0.020 0.021 0.022 0.030
Max Inter Viol : 0.013 0.017 0.023 0.016 0.019 0.028 0.019 0.018 0.020 0.020 0.015 0.018 0.015 0.019 0.016 0.014 0.017 0.017 0.021 0.022 0.028
Max Seque Viol : 0.017 0.006 0.029 0.004 0.015 0.004 0.021 0.026 0.027 0.030 0.006 0.004 0.027 0.005 0.006 0.014 0.014 0.007 0.013 0.015 0.030
Max Medium Viol : 0.019 0.010 0.015 0.029 0.014 0.014 0.016 0.013 0.011 0.024 0.017 0.016 0.017 0.015 0.028 0.021 0.030 0.018 0.014 0.017 0.030
Max Long Viol : 0.008 0.012 0.007 0.013 0.014 0.009 0.006 0.012 0.014 0.017 0.010 0.008 0.010 0.010 0.005 0.010 0.009 0.020 0.011 0.006 0.020
Average 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 0.00023
Avge Inter Viol : 0.000 0.000 0.000 0.000 0.000 0.000 0.000 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 0.00037
Avge Seque Viol : 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.000 0.001 0.00074
Avge Mediu Viol : 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 0.00004
Avge Long Viol : 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 0.00031
RMS Violation : 0.001 0.001 0.002 0.001 0.001 0.001 0.002 0.001 0.002 0.002 0.001 0.001 0.002 0.001 0.002 0.002 0.002 0.001 0.001 0.001 0.00150
RMS Inter : 0.001 0.002 0.002 0.002 0.002 0.002 0.002 0.002 0.002 0.002 0.001 0.002 0.002 0.002 0.002 0.002 0.002 0.002 0.002 0.002 0.00197
RMS Sequential : 0.002 0.002 0.002 0.003 0.002 0.002 0.003 0.002 0.002 0.003 0.002 0.002 0.003 0.002 0.003 0.003 0.004 0.003 0.002 0.002 0.00262
RMS Medium range : 0.001 0.000 0.001 0.000 0.001 0.000 0.001 0.001 0.001 0.001 0.000 0.000 0.001 0.000 0.000 0.001 0.000 0.000 0.001 0.001 0.00075
RMS Long range : 0.001 0.002 0.001 0.002 0.002 0.002 0.001 0.002 0.002 0.002 0.002 0.001 0.001 0.002 0.001 0.001 0.001 0.002 0.002 0.001 0.00152
Final --global-- Summary for 20 models, 1484 NOEs/model, 29680 NOEs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ of viol : 6.737
Summ sq. viol : 0.067
Maximum viol : 0.030
Average viol : 0.00023
RMSD viol : 0.00150
Std. Dev. viol : 0.00148
RMS Inter : 0.00197
RMS Seque : 0.00262
RMS Medi : 0.00075
RMS Long : 0.00152
table of dihedral angle constraints violations
72-> [GLU A 46] PSI -78.8 1.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.1 - 1 [ 0.0 .. 1.1]
---- 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 : 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0.05
> 10. degrees : 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00
Total : 3 1 1 2 3 0 0 0 2 1 1 1 3 0 0 2 0 2 4 2 1.40
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 : 0.4 0.2 0.1 0.4 0.2 0.0 0.0 0.0 0.3 0.4 0.1 0.1 0.1 0.0 0.0 0.1 0.0 0.1 0.7 1.1 1.05
Max PHI Viol : 0.2 0.2 0.0 0.4 0.2 0.0 0.0 0.0 0.3 0.0 0.1 0.1 0.1 0.0 0.0 0.1 0.0 0.0 0.7 0.1 0.65
Max PSI Viol : 0.4 0.0 0.1 0.0 0.2 0.0 0.0 0.0 0.0 0.4 0.0 0.0 0.1 0.0 0.0 0.0 0.0 0.1 0.3 1.1 1.05
Average 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 0.001
Avge PHI Viol : 0.040 0.039 0.000 0.071 0.044 0.000 0.000 0.000 0.057 0.000 0.027 0.026 0.029 0.000 0.000 0.026 0.000 0.019 0.075 0.020 0.034
Avge PSI Viol : 0.056 0.000 0.026 0.000 0.035 0.000 0.000 0.000 0.000 0.058 0.000 0.000 0.024 0.000 0.000 0.000 0.000 0.029 0.048 0.092 0.032
RMS Violation : 0.028 0.012 0.005 0.029 0.016 0.000 0.000 0.000 0.022 0.026 0.006 0.006 0.007 0.000 0.000 0.004 0.000 0.007 0.045 0.067 0.022
RMS PHI Viol : 0.017 0.017 0.000 0.041 0.017 0.000 0.000 0.000 0.031 0.000 0.008 0.008 0.008 0.000 0.000 0.006 0.000 0.004 0.058 0.005 0.019
RMS PSI Viol : 0.035 0.000 0.008 0.000 0.014 0.000 0.000 0.000 0.000 0.038 0.000 0.000 0.007 0.000 0.000 0.000 0.000 0.010 0.025 0.094 0.025
Final --global-- Summary for 20 models, 251 ACOs/model, 5020 ACOs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ. Viol. : 5.44
Summ. Sq. Viol. : 2.47
Max. Viol. : 1.054
Avg. Viol. : 0.00108
RMS Viol. : 0.02218
Std. Dev. Viol. : 0.02215
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 0.668 0.167 0.603 0.636
ALA M 2 0.618 0.297
ILE M 3 0.845 0.273 0.430 0.603
GLN M 4 0.491 0.443 0.121 0.495 0.130
SER M 5 0.511 0.338 0.663
LYS M 6 0.438 0.680 0.087 0.789 0.139 0.391
TYR M 7 0.501 0.765 0.657 0.537
SER M 8 0.835 0.955 0.161 8
ASN M 9 0.997 0.989 0.202 0.229 9 9
THR M 10 0.993 0.992 0.667 10 10
GLN M 11 0.997 0.993 0.995 0.479 0.482 11 11
VAL M 12 0.997 0.998 0.999 12 12
GLU M 13 0.997 0.993 0.867 0.741 0.260 13 13
SER M 14 0.997 0.997 0.086 14 14
LEU M 15 0.998 0.997 0.771 0.934 15 15
ILE M 16 0.999 0.999 0.998 0.915 16 16
ALA M 17 0.999 0.996 17 17
GLU M 18 0.995 0.995 0.618 0.587 0.332 18 18
ILE M 19 0.998 0.995 0.786 0.690 19 19
LEU M 20 0.999 0.998 0.937 0.937 20 20
VAL M 21 0.999 0.997 0.999 21 21
VAL M 22 0.999 0.996 0.997 22 22
LEU M 23 0.998 0.995 0.998 0.999 23 23
GLU M 24 0.996 0.992 0.623 0.091 0.224 24 24
LYS M 25 0.995 0.994 0.668 0.852 0.200 0.359 25 25
HIS M 26 0.982 0.980 0.842 0.662 26 26
LYS M 27 0.988 0.903 0.443 0.570 0.507 0.247 27 27
ALA M 28 0.894 0.981 28
PRO M 29 0.998 0.995 0.939 0.860 29 29
THR M 30 0.998 0.997 0.978 30 30
ASP M 31 0.996 0.993 0.337 0.433 31 31
LEU M 32 0.997 0.997 0.998 1.000 32 32
SER M 33 0.999 0.998 0.320 33 33
LEU M 34 0.999 0.999 0.999 0.999 34 34
MET M 35 0.999 0.996 0.651 0.653 0.548 35 35
ALA M 36 0.999 0.997 36 36
LEU M 37 0.997 0.996 0.856 0.782 37 37
GLY M 38 0.999 0.992 38 38
ASN M 39 0.991 0.992 0.953 0.660 39 39
CYS M 40 0.998 0.990 0.371 40 40
VAL M 41 0.997 0.998 0.999 41 41
THR M 42 0.996 0.995 0.884 42 42
HIS M 43 0.992 0.991 0.842 0.393 43 43
LEU M 44 0.992 0.990 0.925 0.937 44 44
LEU M 45 0.996 0.979 0.762 0.914 45 45
GLU M 46 0.990 0.948 0.469 0.376 0.655 46 46
ARG M 47 0.989 0.927 0.461 0.115 0.340 0.678 0.999 47 47
LYS M 48 0.972 0.953 0.781 0.352 0.643 0.404 48 48
VAL M 49 0.982 0.997 0.999 49 49
PRO M 50 0.998 0.998 0.944 0.863 50 50
SER M 51 0.999 0.990 0.770 51 51
GLU M 52 0.994 0.981 0.350 0.160 0.293 52 52
SER M 53 0.986 0.993 0.680 53 53
ARG M 54 0.999 0.997 0.626 0.998 0.564 0.990 0.998 54 54
GLN M 55 0.996 0.994 0.661 0.688 0.213 55 55
ALA M 56 0.995 0.997 56 56
VAL M 57 0.999 0.996 0.921 57 57
ALA M 58 0.999 0.997 58 58
GLU M 59 0.997 0.998 0.604 0.336 0.583 59 59
GLN M 60 0.995 0.994 0.773 0.759 0.225 60 60
PHE M 61 0.999 0.998 0.998 0.702 61 61
ALA M 62 0.998 0.998 62 62
LYS M 63 0.995 0.992 0.670 0.762 0.417 0.375 63 63
ALA M 64 0.998 0.997 64 64
LEU M 65 0.999 0.998 0.815 0.853 65 65
ALA M 66 0.999 0.997 66 66
GLN M 67 0.996 0.993 0.681 0.277 0.093 67 67
SER M 68 0.998 0.992 0.535 68 68
VAL M 69 0.993 0.995 0.998 69 69
LYS M 70 0.987 0.974 0.540 0.880 0.527 0.166 70 70
SER M 71 0.980 0.973 0.183 71 71
ASN M 72 0.991 0.983 0.522 0.333 72 72
LEU M 73 0.979 0.931 0.808 0.313 73 73
GLU M 74 0.363 0.247 0.457 0.161 0.346
HIS M 75 0.526 0.359 0.251 0.325
HIS M 76 0.390 0.380 0.329 0.473
HIS M 77 0.464 0.338 0.551 0.347
HIS M 78 0.558 0.089 0.543 0.311
HIS M 79 0.619 0.131 0.509 0.189
HIS M 80 0.849 0.499 0.659 0.305
MET M 91 0.549 0.218 0.256 0.524 0.410
ALA M 92 0.506 0.334
ILE M 93 0.705 0.726 0.209 0.443
GLN M 94 0.521 0.254 0.339 0.708 0.181
SER M 95 0.384 0.765 0.584
LYS M 96 0.928 0.614 0.447 0.605 0.543 0.471
TYR M 97 0.412 0.759 0.873 0.607
SER M 98 0.803 0.974 0.595 98
ASN M 99 0.999 0.991 0.164 0.285 99 99
THR M 100 0.996 0.994 0.752 100 100
GLN M 101 0.995 0.997 0.996 0.553 0.085 101 101
VAL M 102 0.997 0.998 0.999 102 102
GLU M 103 0.996 0.986 0.808 0.484 0.294 103 103
SER M 104 0.996 0.993 0.448 104 104
LEU M 105 0.997 0.995 0.748 0.878 105 105
ILE M 106 0.998 0.999 0.998 0.916 106 106
ALA M 107 0.999 0.995 107 107
GLU M 108 0.994 0.993 0.592 0.528 0.289 108 108
ILE M 109 0.998 0.998 0.936 0.861 109 109
LEU M 110 0.998 0.998 0.959 0.701 110 110
VAL M 111 0.999 0.998 0.999 111 111
VAL M 112 0.998 0.996 0.997 112 112
LEU M 113 0.993 0.992 0.999 0.998 113 113
GLU M 114 0.992 0.974 0.674 0.359 0.272 114 114
LYS M 115 0.995 0.983 0.508 0.923 0.314 0.368 115 115
HIS M 116 0.983 0.982 0.782 0.445 116 116
LYS M 117 0.996 0.973 0.732 0.782 0.345 0.186 117 117
ALA M 118 0.967 0.991 118 118
PRO M 119 0.997 0.995 0.936 0.855 119 119
THR M 120 0.998 0.996 0.994 120 120
ASP M 121 0.996 0.991 0.378 0.268 121 121
LEU M 122 0.994 0.997 0.985 0.928 122 122
SER M 123 0.999 0.997 0.454 123 123
LEU M 124 0.999 0.999 0.999 1.000 124 124
MET M 125 0.999 0.997 0.748 0.745 0.503 125 125
ALA M 126 0.998 0.997 126 126
LEU M 127 0.998 0.997 0.969 0.754 127 127
GLY M 128 1.000 0.998 128 128
ASN M 129 0.996 0.997 0.901 0.562 129 129
CYS M 130 0.998 0.995 0.564 130 130
VAL M 131 0.998 0.999 0.999 131 131
THR M 132 0.998 0.995 0.842 132 132
HIS M 133 0.996 0.996 0.931 0.781 133 133
LEU M 134 0.991 0.994 0.996 0.998 134 134
LEU M 135 0.999 0.992 0.878 0.993 135 135
GLU M 136 0.993 0.951 0.669 0.661 0.399 136 136
ARG M 137 0.994 0.952 0.532 0.344 0.232 0.728 0.998 137 137
LYS M 138 0.973 0.948 0.721 0.136 0.628 0.189 138 138
VAL M 139 0.967 0.993 0.999 139 139
PRO M 140 0.997 0.997 0.951 0.880 140 140
SER M 141 0.998 0.993 0.771 141 141
GLU M 142 0.993 0.984 0.165 0.336 0.394 142 142
SER M 143 0.979 0.990 0.719 143 143
ARG M 144 0.997 0.993 0.606 0.942 0.458 0.939 0.998 144 144
GLN M 145 0.995 0.993 0.681 0.587 0.085 145 145
ALA M 146 0.996 0.995 146 146
VAL M 147 0.999 0.996 0.850 147 147
ALA M 148 0.999 0.998 148 148
GLU M 149 0.997 0.994 0.609 0.438 0.638 149 149
GLN M 150 0.997 0.997 0.570 0.672 0.258 150 150
PHE M 151 1.000 0.999 0.997 0.800 151 151
ALA M 152 0.999 0.999 152 152
LYS M 153 0.996 0.992 0.634 0.567 0.310 0.184 153 153
ALA M 154 0.998 0.997 154 154
LEU M 155 0.999 0.996 0.709 0.784 155 155
ALA M 156 0.999 0.996 156 156
GLN M 157 0.996 0.994 0.557 0.437 0.260 157 157
SER M 158 0.998 0.993 0.351 158 158
VAL M 159 0.986 0.997 0.999 159 159
LYS M 160 0.996 0.977 0.546 0.874 0.614 0.066 160 160
SER M 161 0.993 0.990 0.272 161 161
ASN M 162 0.990 0.987 0.623 0.438 162 162
LEU M 163 0.984 0.909 0.875 0.569 163 163
GLU M 164 0.735 0.712 0.587 0.491 0.314
HIS M 165 0.682 0.286 0.339 0.310
HIS M 166 0.393 0.424 0.480 0.189
HIS M 167 0.672 0.392 0.523 0.225
HIS M 168 0.661 0.426 0.098 0.328
HIS M 169 0.539 0.373 0.452 0.194
HIS M 170 0.667 0.486 0.373
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 `SOR77_NMR_em_bcr3.pdb'
>
> Kabsch RMSD of backbone atoms in res. M[9..27],M[29..73],M[99..163],for model 1 is: 0.506 (*)
> Kabsch RMSD of backbone atoms in res. M[9..27],M[29..73],M[99..163],for model 2 is: 0.659
> Kabsch RMSD of backbone atoms in res. M[9..27],M[29..73],M[99..163],for model 3 is: 0.688
> Kabsch RMSD of backbone atoms in res. M[9..27],M[29..73],M[99..163],for model 4 is: 0.594
> Kabsch RMSD of backbone atoms in res. M[9..27],M[29..73],M[99..163],for model 5 is: 0.677
> Kabsch RMSD of backbone atoms in res. M[9..27],M[29..73],M[99..163],for model 6 is: 0.581
> Kabsch RMSD of backbone atoms in res. M[9..27],M[29..73],M[99..163],for model 7 is: 0.833
> Kabsch RMSD of backbone atoms in res. M[9..27],M[29..73],M[99..163],for model 8 is: 0.532
> Kabsch RMSD of backbone atoms in res. M[9..27],M[29..73],M[99..163],for model 9 is: 0.821
> Kabsch RMSD of backbone atoms in res. M[9..27],M[29..73],M[99..163],for model 10 is: 0.709
> Kabsch RMSD of backbone atoms in res. M[9..27],M[29..73],M[99..163],for model 11 is: 0.752
> Kabsch RMSD of backbone atoms in res. M[9..27],M[29..73],M[99..163],for model 12 is: 0.767
> Kabsch RMSD of backbone atoms in res. M[9..27],M[29..73],M[99..163],for model 13 is: 0.847
> Kabsch RMSD of backbone atoms in res. M[9..27],M[29..73],M[99..163],for model 14 is: 0.665
> Kabsch RMSD of backbone atoms in res. M[9..27],M[29..73],M[99..163],for model 15 is: 0.557
> Kabsch RMSD of backbone atoms in res. M[9..27],M[29..73],M[99..163],for model 16 is: 0.955
> Kabsch RMSD of backbone atoms in res. M[9..27],M[29..73],M[99..163],for model 17 is: 0.607
> Kabsch RMSD of backbone atoms in res. M[9..27],M[29..73],M[99..163],for model 18 is: 0.666
> Kabsch RMSD of backbone atoms in res. M[9..27],M[29..73],M[99..163],for model 19 is: 0.626
> Kabsch RMSD of backbone atoms in res. M[9..27],M[29..73],M[99..163],for model 20 is: 0.728
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[9..27],[29..73],[99..163], is: 0.688
> Range of RMSD values to reference struct. is 0.506 to 0.955
> Kabsch RMSD of heavy atoms in res. M[9..27],M[29..73],M[99..163],for model 1 is: 0.983 (*)
> Kabsch RMSD of heavy atoms in res. M[9..27],M[29..73],M[99..163],for model 2 is: 1.134
> Kabsch RMSD of heavy atoms in res. M[9..27],M[29..73],M[99..163],for model 3 is: 1.132
> Kabsch RMSD of heavy atoms in res. M[9..27],M[29..73],M[99..163],for model 4 is: 1.145
> Kabsch RMSD of heavy atoms in res. M[9..27],M[29..73],M[99..163],for model 5 is: 1.129
> Kabsch RMSD of heavy atoms in res. M[9..27],M[29..73],M[99..163],for model 6 is: 1.095
> Kabsch RMSD of heavy atoms in res. M[9..27],M[29..73],M[99..163],for model 7 is: 1.277
> Kabsch RMSD of heavy atoms in res. M[9..27],M[29..73],M[99..163],for model 8 is: 1.030
> Kabsch RMSD of heavy atoms in res. M[9..27],M[29..73],M[99..163],for model 9 is: 1.174
> Kabsch RMSD of heavy atoms in res. M[9..27],M[29..73],M[99..163],for model 10 is: 1.129
> Kabsch RMSD of heavy atoms in res. M[9..27],M[29..73],M[99..163],for model 11 is: 1.158
> Kabsch RMSD of heavy atoms in res. M[9..27],M[29..73],M[99..163],for model 12 is: 1.185
> Kabsch RMSD of heavy atoms in res. M[9..27],M[29..73],M[99..163],for model 13 is: 1.248
> Kabsch RMSD of heavy atoms in res. M[9..27],M[29..73],M[99..163],for model 14 is: 1.125
> Kabsch RMSD of heavy atoms in res. M[9..27],M[29..73],M[99..163],for model 15 is: 1.079
> Kabsch RMSD of heavy atoms in res. M[9..27],M[29..73],M[99..163],for model 16 is: 1.410
> Kabsch RMSD of heavy atoms in res. M[9..27],M[29..73],M[99..163],for model 17 is: 1.129
> Kabsch RMSD of heavy atoms in res. M[9..27],M[29..73],M[99..163],for model 18 is: 1.107
> Kabsch RMSD of heavy atoms in res. M[9..27],M[29..73],M[99..163],for model 19 is: 1.167
> Kabsch RMSD of heavy atoms in res. M[9..27],M[29..73],M[99..163],for model 20 is: 1.220
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[9..27],[29..73],[99..163], is: 1.153
> Range of RMSD values to reference struct. is 0.983 to 1.410
Text report of backbone RMSD for entire protein
> Kabsch RMSD of backb atoms in res. *[1..170],for model 1 is: 2.066
> Kabsch RMSD of backb atoms in res. *[1..170],for model 2 is: 2.417
> Kabsch RMSD of backb atoms in res. *[1..170],for model 3 is: 2.365
> Kabsch RMSD of backb atoms in res. *[1..170],for model 4 is: 2.077
> Kabsch RMSD of backb atoms in res. *[1..170],for model 5 is: 1.965
> Kabsch RMSD of backb atoms in res. *[1..170],for model 6 is: 1.903 (*)
> Kabsch RMSD of backb atoms in res. *[1..170],for model 7 is: 3.413
> Kabsch RMSD of backb atoms in res. *[1..170],for model 8 is: 2.745
> Kabsch RMSD of backb atoms in res. *[1..170],for model 9 is: 3.650
> Kabsch RMSD of backb atoms in res. *[1..170],for model 10 is: 2.870
> Kabsch RMSD of backb atoms in res. *[1..170],for model 11 is: 2.280
> Kabsch RMSD of backb atoms in res. *[1..170],for model 12 is: 2.844
> Kabsch RMSD of backb atoms in res. *[1..170],for model 13 is: 3.068
> Kabsch RMSD of backb atoms in res. *[1..170],for model 14 is: 3.205
> Kabsch RMSD of backb atoms in res. *[1..170],for model 15 is: 2.195
> Kabsch RMSD of backb atoms in res. *[1..170],for model 16 is: 2.536
> Kabsch RMSD of backb atoms in res. *[1..170],for model 17 is: 2.482
> Kabsch RMSD of backb atoms in res. *[1..170],for model 18 is: 2.856
> Kabsch RMSD of backb atoms in res. *[1..170],for model 19 is: 2.803
> Kabsch RMSD of backb atoms in res. *[1..170],for model 20 is: 2.555
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..170], is: 2.615
> Range of RMSD values to reference struct. is 1.903 to 3.650
Text report of heavy atom RMSD for entire protein
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 1 is: 2.691
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 2 is: 3.131
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 3 is: 2.961
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 4 is: 2.829
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 5 is: 2.628
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 6 is: 2.494 (*)
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 7 is: 4.013
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 8 is: 3.276
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 9 is: 4.344
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 10 is: 3.545
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 11 is: 2.848
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 12 is: 3.402
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 13 is: 3.733
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 14 is: 4.099
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 15 is: 2.708
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 16 is: 3.206
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 17 is: 3.062
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 18 is: 3.443
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 19 is: 3.354
> Kabsch RMSD of heavy atoms in res. *[1..170],for model 20 is: 3.274
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..170], is: 3.252
> Range of RMSD values to reference struct. is 2.494 to 4.344
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 2.6 0.7 0.7
All heavy atoms 3.3 1.2 1.2
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 >>>----------+
| |
| SOR77_NMR_em_bcr3_020.rin 0.0 2600 residues |
| |
*| Ramachandran plot: 97.3% core 2.6% allow 0.0% gener 0.0% disall |
| |
+| All Ramachandrans: 8 labelled residues (out of2600) |
+| Chi1-chi2 plots: 15 labelled residues (out of1480) |
JPEG image for all model Ramachandran Plot
Residue Properties for all models
JPEG for all model Residue Properties - page $num_n
JPEG for all model Residue Properties - page $num_n
JPEG for all model Residue Properties - page $num_n
Model Secondary Structures from Procheck
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
Ramachandran Plots for each residue
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
Ramachandran analysis for each residue from Molprobity
Chi1-Chi2 Plots for each residue
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
Procheck G-factors for phi-psi for each residue
JPEG image for residue phi-psi G-factors
Table of Procheck G-factors for phi-psi for ordered residues
#phipsi_gfactor
#Residue\Model average
9 0.92
10 0.85
11 0.41
12 0.86
13 0.77
14 1.02
15 0.72
16 0.75
17 0.72
18 0.84
19 0.73
20 0.97
21 0.76
22 0.70
23 0.76
24 0.70
25 0.89
26 -0.01
27 -1.90
28 -0.92
29 -0.53
30 0.63
31 0.78
32 0.81
33 0.84
34 1.02
35 0.73
36 0.58
37 0.93
38 0.95
39 0.86
40 1.05
41 0.79
42 0.96
43 0.79
44 0.55
45 0.71
46 0.04
47 -1.53
48 -0.94
49 0.35
50 0.30
51 0.45
52 0.59
53 0.09
54 0.87
55 0.79
56 0.70
57 0.94
58 0.79
59 0.67
60 0.91
61 1.18
62 0.84
63 0.93
64 0.81
65 0.70
66 0.86
67 0.96
68 1.01
69 0.56
70 0.41
71 0.42
72 0.31
73 -0.96
99 0.98
100 0.93
101 0.66
102 0.86
103 0.70
104 0.96
105 0.67
106 0.66
107 0.72
108 0.82
109 0.81
110 1.01
111 0.84
112 0.52
113 0.43
114 0.45
115 0.67
116 -0.06
117 -1.55
118 -0.95
119 -0.77
120 0.57
121 0.71
122 0.57
123 0.70
124 1.03
125 0.78
126 0.44
127 0.91
128 0.91
129 0.94
130 1.00
131 0.82
132 0.99
133 0.84
134 0.62
135 0.89
136 0.10
137 -1.27
138 -1.09
139 0.08
140 0.17
141 0.22
142 0.63
143 0.29
144 0.70
145 0.83
146 0.72
147 0.78
148 0.78
149 0.76
150 1.01
151 1.22
152 0.90
153 0.88
154 0.83
155 0.63
156 0.84
157 1.02
158 1.02
159 0.43
160 0.44
161 0.60
162 0.25
163 -1.12
#Reported_Model_Average 0.544
#Overall_Average_Reported 0.544
Procheck G-factors for all dihedral angles for each residue
JPEG image for residue all dihedral G-factors
Table of Procheck G-factors for all dihedrals for ordered residues
#alldih_gfactor
#Residue\Model average
9 0.07
10 0.15
11 0.30
12 0.53
13 0.57
14 0.52
15 0.04
16 0.74
17 0.72
18 0.66
19 0.22
20 0.91
21 0.73
22 0.69
23 0.81
24 0.27
25 0.79
26 0.22
27 -0.99
28 -0.92
29 -0.53
30 0.02
31 -0.24
32 0.60
33 0.21
34 0.96
35 0.63
36 0.58
37 -0.30
38 0.95
39 0.37
40 0.66
41 0.72
42 0.25
43 -0.17
44 0.54
45 0.35
46 -0.16
47 -0.95
48 -0.44
49 0.22
50 0.30
51 0.04
52 0.21
53 -0.11
54 0.86
55 0.47
56 0.70
57 0.76
58 0.79
59 0.42
60 0.83
61 0.83
62 0.84
63 0.71
64 0.81
65 0.01
66 0.86
67 0.60
68 0.50
69 0.61
70 0.51
71 0.07
72 -0.15
73 -0.81
99 0.23
100 0.35
101 0.44
102 0.56
103 0.38
104 0.44
105 0.10
106 0.71
107 0.72
108 0.57
109 0.33
110 0.62
111 0.77
112 0.50
113 0.64
114 0.21
115 0.70
116 0.10
117 -0.58
118 -0.95
119 -0.77
120 0.12
121 -0.40
122 0.34
123 0.22
124 0.96
125 0.60
126 0.44
127 -0.14
128 0.91
129 0.39
130 0.71
131 0.66
132 0.11
133 0.36
134 0.74
135 0.77
136 0.05
137 -0.78
138 -0.64
139 0.03
140 0.17
141 -0.07
142 0.11
143 -0.12
144 0.72
145 0.52
146 0.72
147 0.66
148 0.78
149 0.39
150 0.67
151 0.87
152 0.90
153 0.61
154 0.83
155 -0.18
156 0.84
157 0.56
158 0.46
159 0.49
160 0.43
161 0.17
162 0.04
163 -0.48
#Reported_Model_Average 0.335
#Overall_Average_Reported 0.335
Output from Verify3D
Verify3D Score over a window of $winsize_s residues
JPEG image for Verify3D Score
Table of Verify3D scores for ordered residues across all models
#verify3d
#Residue\Model 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
9 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.51 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41
10 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
11 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 -0.57 0.25 -0.57 -0.57 -0.57 0.25
12 1.00 0.66 0.66 -0.09 1.00 0.66 -0.09 0.66 1.00 0.66 1.00 0.66 1.00 1.00 1.00 -0.09 0.66 1.00 0.66 1.00
13 0.04 0.28 0.28 0.04 0.28 0.28 0.28 0.28 0.28 0.04 0.28 0.28 0.28 0.28 0.28 0.04 0.28 0.04 0.28 0.28
14 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.17 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.17 0.17 0.34 0.17 0.34
15 1.06 1.06 1.06 1.06 1.06 0.77 0.77 1.06 1.06 1.06 1.06 1.06 0.77 1.06 0.77 1.06 1.06 0.77 1.06 1.06
16 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.93 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.93
17 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14
18 -0.59 -0.59 0.28 0.28 0.28 0.28 0.28 -0.59 -0.59 -0.59 0.28 -0.59 0.28 0.28 0.28 0.28 -0.59 0.28 -0.59 0.28
19 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
20 -0.33 0.77 -0.33 0.29 -0.33 -0.33 -0.33 0.29 -0.33 -0.33 0.77 0.77 -0.33 -0.33 0.77 -0.33 -0.33 -0.33 -0.33 -0.33
21 -0.80 -0.80 -0.80 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.80 -0.74 -0.74 -0.80 -0.74 -0.74 -0.80 -0.80 -0.74 -0.74 -0.74
22 0.66 1.00 0.66 0.66 1.00 0.66 0.66 0.66 1.00 1.00 0.66 0.66 0.66 -0.09 -0.09 0.66 0.66 0.66 1.00 -0.09
23 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
24 0.04 0.28 0.28 0.28 0.04 0.04 0.28 0.28 0.04 0.04 0.28 0.04 0.04 0.28 0.28 0.28 0.28 0.04 0.28 0.28
25 0.47 0.47 -0.10 0.47 -0.10 0.47 0.47 0.47 0.47 0.47 0.47 -0.10 0.47 0.47 -0.10 0.47 0.47 0.47 0.47 -0.10
26 0.54 1.04 1.04 1.04 1.04 1.04 0.20 1.04 1.04 1.04 0.20 1.04 1.04 -0.61 -0.61 1.04 1.04 1.04 0.20 1.04
27 -0.10 0.47 0.47 -0.10 0.47 -0.10 0.47 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 0.47 0.47 -0.10 -0.10 -0.10
28 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
29 0.44 0.44 0.25 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
30 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 0.08 0.55 0.55
31 0.23 0.51 0.51 0.23 0.51 0.23 0.51 0.23 0.23 0.23 0.23 0.51 0.23 0.23 0.51 0.23 0.51 0.23 0.51 0.23
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 0.77 1.06 0.77 1.06 0.77 0.77 0.77 1.06 1.06 0.77 1.06 -0.33 0.77 1.06 1.06 0.77 1.06 0.77 1.06 0.77
35 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 0.23 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83
36 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
37 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
38 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
39 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 -0.26 0.51 0.51 0.51 0.51 0.51 0.51 -0.26 0.51 0.51 0.51
40 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29
41 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
42 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
43 0.54 1.04 1.04 -1.21 -1.21 0.20 -1.21 0.20 0.20 0.54 0.54 0.20 0.20 1.04 0.20 0.54 0.54 -1.21 0.20 1.04
44 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 0.77 1.06 0.77 1.06 1.06 0.77 1.06 1.06 0.77 1.06 1.06 0.29
45 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
46 -0.46 0.28 0.28 -0.46 0.28 0.28 0.28 -0.46 0.28 -0.46 -0.46 0.28 0.28 -0.46 0.28 0.28 0.28 -0.46 0.28 0.28
47 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 -0.41 -0.41 0.71 0.24 0.24 0.24 0.24 0.24 0.24 0.71 0.24
48 0.47 0.47 0.08 0.47 0.47 0.47 0.47 0.08 0.47 0.47 0.47 0.08 0.08 0.47 0.08 0.08 0.47 0.47 0.47 0.47
49 1.00 -0.09 1.00 1.00 1.00 1.00 1.00 1.00 -0.09 1.00 -0.09 1.00 1.00 -0.09 1.00 1.00 -0.09 1.00 1.00 1.00
50 0.44 0.44 0.25 0.25 0.25 0.25 0.25 0.44 0.25 0.25 0.25 0.44 0.25 0.44 0.25 0.25 0.25 0.25 0.25 0.25
51 0.34 0.17 0.34 0.34 0.17 0.34 0.34 0.34 0.17 0.34 0.17 0.34 0.34 0.59 0.34 0.34 0.34 0.59 0.17 0.34
52 0.28 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.28 0.04 0.04 0.28 0.04 0.04 0.04 0.04 0.28 0.04
53 0.59 0.59 0.59 0.59 0.59 0.17 0.59 0.59 0.34 0.59 0.34 0.17 0.59 0.34 0.59 0.59 0.59 0.59 0.59 0.59
54 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71
55 0.25 -0.57 0.25 0.25 -0.57 0.25 0.10 0.25 0.25 0.25 0.25 -0.57 -0.57 0.25 -0.57 -0.87 0.25 -0.57 0.10 0.25
56 0.14 0.14 0.14 0.14 0.14 -0.25 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 -0.25 0.14 0.14 0.14 0.14 0.14
57 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09
58 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
59 0.28 0.28 0.28 0.28 0.04 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
60 0.25 0.25 0.25 0.25 0.25 -0.03 -0.03 0.25 0.25 -0.03 0.25 0.25 0.25 0.25 0.25 -0.03 -0.03 0.25 0.25 -0.03
61 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40
62 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
63 0.47 0.47 0.47 0.47 -0.10 0.47 0.47 0.47 0.47 0.47 0.47 0.47 -0.10 0.47 0.47 0.47 -0.10 0.47 0.47 -0.10
64 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14
65 0.77 1.06 0.77 0.77 0.77 0.77 0.77 1.06 1.06 1.06 1.06 1.06 1.06 0.77 0.77 1.06 0.77 1.06 1.06 1.06
66 0.14 -0.25 0.14 0.49 0.14 0.14 0.49 -0.25 -0.25 -0.25 0.14 0.49 -0.25 -0.25 -0.25 0.49 0.49 -0.25 0.14 0.14
67 0.25 -0.03 -0.03 0.25 -0.03 0.25 0.25 -0.03 -0.03 0.25 -0.03 0.25 -0.03 0.25 -0.03 0.25 0.25 -0.03 -0.57 0.25
68 0.17 0.34 0.17 0.34 0.17 0.34 0.17 0.34 0.17 0.17 0.17 0.34 0.34 0.17 0.34 0.34 0.34 0.34 0.34 0.17
69 0.66 1.00 -0.40 0.66 0.66 0.66 1.00 1.00 1.00 1.00 0.66 1.00 1.00 1.00 0.66 1.00 1.00 1.00 0.66 1.00
70 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.08 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
71 0.34 0.17 0.17 0.17 0.34 0.34 0.34 0.17 0.17 0.17 0.34 0.34 0.17 0.34 0.34 0.17 0.34 0.34 0.17 0.34
72 0.51 0.51 0.51 0.41 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
73 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 0.29 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 0.29
99 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41
100 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
101 0.25 -0.57 0.25 -0.57 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 -0.57 -0.57 0.25 0.25 0.25 0.25 0.25
102 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 1.00 -0.09 -0.09 -0.09 -0.09 0.66 -0.09 -0.09 -0.09 1.00
103 0.28 0.04 0.28 0.28 0.28 0.28 0.04 0.28 0.28 0.04 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.04 0.28 0.28
104 0.34 0.17 0.17 0.17 0.34 0.17 0.17 0.17 0.17 0.17 0.34 0.34 0.17 0.34 0.17 0.34 0.17 0.34 0.34 0.17
105 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 0.77
106 0.81 0.81 -0.54 0.81 0.81 0.81 0.81 0.81 -0.54 0.81 0.93 0.81 0.81 0.93 0.81 0.81 -0.28 0.81 0.81 -0.54
107 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14
108 -0.46 -0.59 0.28 -0.59 0.28 -0.46 -0.59 -0.59 -0.59 -0.46 -1.13 -0.59 -0.59 0.28 -1.13 0.28 -0.46 -0.59 -0.46 -0.59
109 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
110 -0.33 0.77 0.77 0.77 0.77 0.77 -0.33 0.77 0.77 -0.33 -0.33 0.29 1.06 0.77 0.77 0.77 -0.33 0.77 -0.33 0.29
111 -0.74 -0.74 -0.74 -0.74 -0.74 -0.09 -0.74 -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
112 0.66 0.66 0.66 0.66 1.00 0.66 0.66 1.00 -0.09 0.66 0.66 0.66 0.66 0.66 0.66 -0.09 0.66 -0.09 1.00 0.66
113 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
114 0.04 0.28 0.28 0.04 0.04 0.04 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.28 0.28 0.04 0.28 0.28 0.28
115 0.47 -0.10 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 -0.10 -0.10 -0.10 0.47 0.47 -0.10 0.47 -0.10 0.47 0.47
116 1.04 0.20 1.04 1.04 1.04 1.04 1.04 0.20 1.04 0.20 1.04 0.20 1.04 1.04 1.04 1.04 1.04 -1.21 0.20 1.04
117 -0.10 -0.10 -0.10 -0.10 -0.10 0.47 0.47 -0.10 -0.10 0.47 -0.10 0.47 -0.10 -0.10 0.47 -0.10 -0.10 -0.10 0.47 -0.10
118 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
119 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
120 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
121 0.23 0.51 0.51 0.51 0.51 0.51 0.51 0.23 0.23 0.34 0.51 0.23 0.51 0.34 0.51 0.51 0.23 0.23 0.23 0.23
122 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
123 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
124 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
125 -0.83 0.23 -0.90 -0.83 -0.83 0.23 -0.83 -0.83 0.23 0.23 -0.83 0.23 -0.83 -0.83 1.00 -0.83 -0.83 -0.83 -0.90 -0.83
126 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
127 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
128 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
129 0.51 0.51 -0.26 -0.26 0.51 0.51 0.51 -0.26 0.51 0.51 0.51 0.51 0.51 -0.26 0.51 0.51 -0.26 -0.26 0.51 0.51
130 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29
131 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
132 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
133 0.20 0.20 0.20 0.20 0.20 0.20 1.04 0.20 -1.21 -1.21 0.20 0.20 -1.21 0.20 1.04 1.04 0.20 -1.21 1.04 -1.21
134 1.06 1.06 1.06 0.77 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 0.77 0.77 1.06 0.77 1.06 1.06 1.06 0.77
135 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
136 0.28 -0.59 0.28 0.28 0.28 0.28 0.28 0.28 0.28 -0.46 0.28 0.28 -0.46 0.28 0.28 0.28 0.28 0.28 0.28 0.28
137 0.24 0.24 -0.41 0.71 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 -0.41 0.24 0.24 0.24 -0.41 0.24 0.24
138 0.47 0.47 0.47 0.47 0.47 0.47 0.08 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
139 1.00 1.00 1.00 1.00 -0.09 -0.09 1.00 1.00 1.00 -0.09 1.00 -0.09 1.00 -0.09 1.00 1.00 1.00 1.00 1.00 1.00
140 0.25 0.25 0.44 0.25 0.25 0.25 0.25 0.44 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.44 0.25 0.25 0.25 0.25
141 0.17 0.17 0.34 0.17 0.59 0.34 0.17 0.34 0.34 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.34
142 0.04 0.04 0.04 0.04 0.04 0.28 0.04 0.04 0.04 0.28 0.04 0.04 0.04 0.04 0.04 0.28 0.04 0.04 0.04 0.04
143 0.17 0.59 0.59 0.34 0.17 0.17 0.59 0.59 0.59 0.34 0.59 0.59 0.59 0.59 0.34 0.17 0.59 0.59 0.59 0.34
144 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71
145 0.25 -0.57 0.25 0.25 0.25 0.10 -0.57 0.25 -0.57 -0.57 -0.57 -0.87 0.25 -0.57 -0.87 0.25 0.25 0.25 0.25 0.25
146 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14
147 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09
148 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
149 0.28 0.28 0.04 0.28 0.04 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.28 0.28 0.28 0.28
150 0.25 0.25 0.25 0.25 0.25 0.25 0.25 -0.03 -0.03 0.25 -0.03 -0.03 -0.03 -0.03 0.25 -0.03 0.25 0.25 0.25 0.25
151 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40
152 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
153 0.47 0.47 -0.10 0.47 0.47 0.47 -0.10 0.47 0.47 0.47 0.47 -0.10 0.47 0.47 0.47 -0.10 0.47 -0.10 0.47 0.47
154 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14
155 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
156 -0.25 0.49 0.14 -0.25 0.14 0.49 0.49 0.14 0.14 -0.25 0.49 0.49 0.49 0.49 0.49 -0.25 0.49 0.14 0.49 0.49
157 0.25 -0.03 0.25 0.25 0.25 0.25 0.25 0.25 0.25 -0.03 -0.03 -0.03 0.25 0.25 0.25 0.25 0.25 -0.03 0.25 -0.03
158 0.17 0.17 0.17 0.17 0.17 0.17 0.34 0.17 0.17 0.17 0.17 0.17 0.34 0.17 0.17 0.17 0.17 0.17 0.17 0.17
159 1.00 0.66 1.00 1.00 1.00 1.00 1.00 0.66 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
160 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
161 0.34 0.17 0.34 0.17 0.34 0.17 0.34 0.17 0.34 0.17 0.34 0.17 0.59 0.34 0.17 0.34 0.17 0.34 0.17 0.34
162 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.41 0.51 0.51 0.51 0.51 0.51 0.51 0.51
163 -0.33 -0.68 -0.68 -0.68 -0.68 0.29 -0.68 -0.68 -0.33 -0.33 -0.68 -0.68 -0.68 -0.68 -0.68 0.29 -0.68 -0.68 -0.68 -0.68
#Reported_Model_Average 0.432 0.428 0.431 0.423 0.435 0.462 0.432 0.431 0.423 0.394 0.435 0.423 0.432 0.409 0.431 0.453 0.411 0.366 0.442 0.434
#Overall_Average_Reported 0.426
Output from ProsaII
ProsaII Score over a window of $winsize_s residues
JPEG image for ProsaII Score
Table of Verify3D scores for ordered residues across all models
#verify3d
#Residue\Model 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
9 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.51 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41
10 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
11 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 -0.57 0.25 -0.57 -0.57 -0.57 0.25
12 1.00 0.66 0.66 -0.09 1.00 0.66 -0.09 0.66 1.00 0.66 1.00 0.66 1.00 1.00 1.00 -0.09 0.66 1.00 0.66 1.00
13 0.04 0.28 0.28 0.04 0.28 0.28 0.28 0.28 0.28 0.04 0.28 0.28 0.28 0.28 0.28 0.04 0.28 0.04 0.28 0.28
14 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.17 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.17 0.17 0.34 0.17 0.34
15 1.06 1.06 1.06 1.06 1.06 0.77 0.77 1.06 1.06 1.06 1.06 1.06 0.77 1.06 0.77 1.06 1.06 0.77 1.06 1.06
16 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.93 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.93
17 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14
18 -0.59 -0.59 0.28 0.28 0.28 0.28 0.28 -0.59 -0.59 -0.59 0.28 -0.59 0.28 0.28 0.28 0.28 -0.59 0.28 -0.59 0.28
19 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
20 -0.33 0.77 -0.33 0.29 -0.33 -0.33 -0.33 0.29 -0.33 -0.33 0.77 0.77 -0.33 -0.33 0.77 -0.33 -0.33 -0.33 -0.33 -0.33
21 -0.80 -0.80 -0.80 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.80 -0.74 -0.74 -0.80 -0.74 -0.74 -0.80 -0.80 -0.74 -0.74 -0.74
22 0.66 1.00 0.66 0.66 1.00 0.66 0.66 0.66 1.00 1.00 0.66 0.66 0.66 -0.09 -0.09 0.66 0.66 0.66 1.00 -0.09
23 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
24 0.04 0.28 0.28 0.28 0.04 0.04 0.28 0.28 0.04 0.04 0.28 0.04 0.04 0.28 0.28 0.28 0.28 0.04 0.28 0.28
25 0.47 0.47 -0.10 0.47 -0.10 0.47 0.47 0.47 0.47 0.47 0.47 -0.10 0.47 0.47 -0.10 0.47 0.47 0.47 0.47 -0.10
26 0.54 1.04 1.04 1.04 1.04 1.04 0.20 1.04 1.04 1.04 0.20 1.04 1.04 -0.61 -0.61 1.04 1.04 1.04 0.20 1.04
27 -0.10 0.47 0.47 -0.10 0.47 -0.10 0.47 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 0.47 0.47 -0.10 -0.10 -0.10
28 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
29 0.44 0.44 0.25 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
30 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 0.08 0.55 0.55
31 0.23 0.51 0.51 0.23 0.51 0.23 0.51 0.23 0.23 0.23 0.23 0.51 0.23 0.23 0.51 0.23 0.51 0.23 0.51 0.23
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 0.77 1.06 0.77 1.06 0.77 0.77 0.77 1.06 1.06 0.77 1.06 -0.33 0.77 1.06 1.06 0.77 1.06 0.77 1.06 0.77
35 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 0.23 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83 -0.83
36 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
37 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
38 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
39 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 -0.26 0.51 0.51 0.51 0.51 0.51 0.51 -0.26 0.51 0.51 0.51
40 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29
41 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
42 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
43 0.54 1.04 1.04 -1.21 -1.21 0.20 -1.21 0.20 0.20 0.54 0.54 0.20 0.20 1.04 0.20 0.54 0.54 -1.21 0.20 1.04
44 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 0.77 1.06 0.77 1.06 1.06 0.77 1.06 1.06 0.77 1.06 1.06 0.29
45 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
46 -0.46 0.28 0.28 -0.46 0.28 0.28 0.28 -0.46 0.28 -0.46 -0.46 0.28 0.28 -0.46 0.28 0.28 0.28 -0.46 0.28 0.28
47 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 -0.41 -0.41 0.71 0.24 0.24 0.24 0.24 0.24 0.24 0.71 0.24
48 0.47 0.47 0.08 0.47 0.47 0.47 0.47 0.08 0.47 0.47 0.47 0.08 0.08 0.47 0.08 0.08 0.47 0.47 0.47 0.47
49 1.00 -0.09 1.00 1.00 1.00 1.00 1.00 1.00 -0.09 1.00 -0.09 1.00 1.00 -0.09 1.00 1.00 -0.09 1.00 1.00 1.00
50 0.44 0.44 0.25 0.25 0.25 0.25 0.25 0.44 0.25 0.25 0.25 0.44 0.25 0.44 0.25 0.25 0.25 0.25 0.25 0.25
51 0.34 0.17 0.34 0.34 0.17 0.34 0.34 0.34 0.17 0.34 0.17 0.34 0.34 0.59 0.34 0.34 0.34 0.59 0.17 0.34
52 0.28 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.28 0.04 0.04 0.28 0.04 0.04 0.04 0.04 0.28 0.04
53 0.59 0.59 0.59 0.59 0.59 0.17 0.59 0.59 0.34 0.59 0.34 0.17 0.59 0.34 0.59 0.59 0.59 0.59 0.59 0.59
54 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71
55 0.25 -0.57 0.25 0.25 -0.57 0.25 0.10 0.25 0.25 0.25 0.25 -0.57 -0.57 0.25 -0.57 -0.87 0.25 -0.57 0.10 0.25
56 0.14 0.14 0.14 0.14 0.14 -0.25 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 -0.25 0.14 0.14 0.14 0.14 0.14
57 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09
58 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
59 0.28 0.28 0.28 0.28 0.04 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
60 0.25 0.25 0.25 0.25 0.25 -0.03 -0.03 0.25 0.25 -0.03 0.25 0.25 0.25 0.25 0.25 -0.03 -0.03 0.25 0.25 -0.03
61 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40
62 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
63 0.47 0.47 0.47 0.47 -0.10 0.47 0.47 0.47 0.47 0.47 0.47 0.47 -0.10 0.47 0.47 0.47 -0.10 0.47 0.47 -0.10
64 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14
65 0.77 1.06 0.77 0.77 0.77 0.77 0.77 1.06 1.06 1.06 1.06 1.06 1.06 0.77 0.77 1.06 0.77 1.06 1.06 1.06
66 0.14 -0.25 0.14 0.49 0.14 0.14 0.49 -0.25 -0.25 -0.25 0.14 0.49 -0.25 -0.25 -0.25 0.49 0.49 -0.25 0.14 0.14
67 0.25 -0.03 -0.03 0.25 -0.03 0.25 0.25 -0.03 -0.03 0.25 -0.03 0.25 -0.03 0.25 -0.03 0.25 0.25 -0.03 -0.57 0.25
68 0.17 0.34 0.17 0.34 0.17 0.34 0.17 0.34 0.17 0.17 0.17 0.34 0.34 0.17 0.34 0.34 0.34 0.34 0.34 0.17
69 0.66 1.00 -0.40 0.66 0.66 0.66 1.00 1.00 1.00 1.00 0.66 1.00 1.00 1.00 0.66 1.00 1.00 1.00 0.66 1.00
70 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.08 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
71 0.34 0.17 0.17 0.17 0.34 0.34 0.34 0.17 0.17 0.17 0.34 0.34 0.17 0.34 0.34 0.17 0.34 0.34 0.17 0.34
72 0.51 0.51 0.51 0.41 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
73 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 0.29 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 0.29
99 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41
100 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
101 0.25 -0.57 0.25 -0.57 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 -0.57 -0.57 0.25 0.25 0.25 0.25 0.25
102 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 1.00 -0.09 -0.09 -0.09 -0.09 0.66 -0.09 -0.09 -0.09 1.00
103 0.28 0.04 0.28 0.28 0.28 0.28 0.04 0.28 0.28 0.04 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.04 0.28 0.28
104 0.34 0.17 0.17 0.17 0.34 0.17 0.17 0.17 0.17 0.17 0.34 0.34 0.17 0.34 0.17 0.34 0.17 0.34 0.34 0.17
105 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 0.77
106 0.81 0.81 -0.54 0.81 0.81 0.81 0.81 0.81 -0.54 0.81 0.93 0.81 0.81 0.93 0.81 0.81 -0.28 0.81 0.81 -0.54
107 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14
108 -0.46 -0.59 0.28 -0.59 0.28 -0.46 -0.59 -0.59 -0.59 -0.46 -1.13 -0.59 -0.59 0.28 -1.13 0.28 -0.46 -0.59 -0.46 -0.59
109 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
110 -0.33 0.77 0.77 0.77 0.77 0.77 -0.33 0.77 0.77 -0.33 -0.33 0.29 1.06 0.77 0.77 0.77 -0.33 0.77 -0.33 0.29
111 -0.74 -0.74 -0.74 -0.74 -0.74 -0.09 -0.74 -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
112 0.66 0.66 0.66 0.66 1.00 0.66 0.66 1.00 -0.09 0.66 0.66 0.66 0.66 0.66 0.66 -0.09 0.66 -0.09 1.00 0.66
113 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
114 0.04 0.28 0.28 0.04 0.04 0.04 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.28 0.28 0.04 0.28 0.28 0.28
115 0.47 -0.10 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 -0.10 -0.10 -0.10 0.47 0.47 -0.10 0.47 -0.10 0.47 0.47
116 1.04 0.20 1.04 1.04 1.04 1.04 1.04 0.20 1.04 0.20 1.04 0.20 1.04 1.04 1.04 1.04 1.04 -1.21 0.20 1.04
117 -0.10 -0.10 -0.10 -0.10 -0.10 0.47 0.47 -0.10 -0.10 0.47 -0.10 0.47 -0.10 -0.10 0.47 -0.10 -0.10 -0.10 0.47 -0.10
118 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
119 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
120 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
121 0.23 0.51 0.51 0.51 0.51 0.51 0.51 0.23 0.23 0.34 0.51 0.23 0.51 0.34 0.51 0.51 0.23 0.23 0.23 0.23
122 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
123 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
124 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
125 -0.83 0.23 -0.90 -0.83 -0.83 0.23 -0.83 -0.83 0.23 0.23 -0.83 0.23 -0.83 -0.83 1.00 -0.83 -0.83 -0.83 -0.90 -0.83
126 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
127 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
128 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
129 0.51 0.51 -0.26 -0.26 0.51 0.51 0.51 -0.26 0.51 0.51 0.51 0.51 0.51 -0.26 0.51 0.51 -0.26 -0.26 0.51 0.51
130 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29
131 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
132 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
133 0.20 0.20 0.20 0.20 0.20 0.20 1.04 0.20 -1.21 -1.21 0.20 0.20 -1.21 0.20 1.04 1.04 0.20 -1.21 1.04 -1.21
134 1.06 1.06 1.06 0.77 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 0.77 0.77 1.06 0.77 1.06 1.06 1.06 0.77
135 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
136 0.28 -0.59 0.28 0.28 0.28 0.28 0.28 0.28 0.28 -0.46 0.28 0.28 -0.46 0.28 0.28 0.28 0.28 0.28 0.28 0.28
137 0.24 0.24 -0.41 0.71 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 -0.41 0.24 0.24 0.24 -0.41 0.24 0.24
138 0.47 0.47 0.47 0.47 0.47 0.47 0.08 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
139 1.00 1.00 1.00 1.00 -0.09 -0.09 1.00 1.00 1.00 -0.09 1.00 -0.09 1.00 -0.09 1.00 1.00 1.00 1.00 1.00 1.00
140 0.25 0.25 0.44 0.25 0.25 0.25 0.25 0.44 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.44 0.25 0.25 0.25 0.25
141 0.17 0.17 0.34 0.17 0.59 0.34 0.17 0.34 0.34 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.34
142 0.04 0.04 0.04 0.04 0.04 0.28 0.04 0.04 0.04 0.28 0.04 0.04 0.04 0.04 0.04 0.28 0.04 0.04 0.04 0.04
143 0.17 0.59 0.59 0.34 0.17 0.17 0.59 0.59 0.59 0.34 0.59 0.59 0.59 0.59 0.34 0.17 0.59 0.59 0.59 0.34
144 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71
145 0.25 -0.57 0.25 0.25 0.25 0.10 -0.57 0.25 -0.57 -0.57 -0.57 -0.87 0.25 -0.57 -0.87 0.25 0.25 0.25 0.25 0.25
146 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14
147 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09
148 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
149 0.28 0.28 0.04 0.28 0.04 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.28 0.28 0.28 0.28
150 0.25 0.25 0.25 0.25 0.25 0.25 0.25 -0.03 -0.03 0.25 -0.03 -0.03 -0.03 -0.03 0.25 -0.03 0.25 0.25 0.25 0.25
151 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40
152 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
153 0.47 0.47 -0.10 0.47 0.47 0.47 -0.10 0.47 0.47 0.47 0.47 -0.10 0.47 0.47 0.47 -0.10 0.47 -0.10 0.47 0.47
154 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14
155 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
156 -0.25 0.49 0.14 -0.25 0.14 0.49 0.49 0.14 0.14 -0.25 0.49 0.49 0.49 0.49 0.49 -0.25 0.49 0.14 0.49 0.49
157 0.25 -0.03 0.25 0.25 0.25 0.25 0.25 0.25 0.25 -0.03 -0.03 -0.03 0.25 0.25 0.25 0.25 0.25 -0.03 0.25 -0.03
158 0.17 0.17 0.17 0.17 0.17 0.17 0.34 0.17 0.17 0.17 0.17 0.17 0.34 0.17 0.17 0.17 0.17 0.17 0.17 0.17
159 1.00 0.66 1.00 1.00 1.00 1.00 1.00 0.66 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
160 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
161 0.34 0.17 0.34 0.17 0.34 0.17 0.34 0.17 0.34 0.17 0.34 0.17 0.59 0.34 0.17 0.34 0.17 0.34 0.17 0.34
162 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.41 0.51 0.51 0.51 0.51 0.51 0.51 0.51
163 -0.33 -0.68 -0.68 -0.68 -0.68 0.29 -0.68 -0.68 -0.33 -0.33 -0.68 -0.68 -0.68 -0.68 -0.68 0.29 -0.68 -0.68 -0.68 -0.68
#Reported_Model_Average 0.432 0.428 0.431 0.423 0.435 0.462 0.432 0.431 0.423 0.394 0.435 0.423 0.432 0.409 0.431 0.453 0.411 0.366 0.442 0.434
#Overall_Average_Reported 0.426
Output from MolProbity
VdW violations from MAGE
JPEG image for MAGE VdW violation
Table of MAGE VdW violations for ordered residues across all models
#mage_clash
#Residue\Model 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
9.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
10.000 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0
11.000 0 0 0 1 0 1 0 0 0 0 2 1 0 1 0 0 2 0 1 2
12.000 3 1 1 1 2 1 0 0 2 1 1 1 0 3 2 0 0 2 2 3
13.000 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0
14.000 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0
15.000 0 1 1 2 2 2 3 1 2 1 2 1 2 1 1 1 2 3 2 2
16.000 2 0 1 2 1 1 1 0 1 2 2 2 1 2 2 2 0 1 2 1
17.000 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
18.000 0 1 0 0 0 1 1 1 3 3 1 0 0 0 0 0 0 0 1 0
19.000 0 2 2 0 3 2 3 0 4 2 3 2 4 3 2 1 2 2 3 4
20.000 2 0 2 1 0 0 0 0 0 1 1 1 1 0 2 1 0 0 0 0
21.000 1 1 1 1 1 1 2 3 3 1 1 1 1 4 1 2 1 2 1 3
22.000 2 1 0 2 3 3 0 2 0 1 4 2 1 1 2 1 0 2 3 1
23.000 1 2 3 1 0 0 2 0 1 1 1 1 0 0 1 0 0 1 2 1
24.000 1 0 0 0 1 0 0 0 0 0 1 0 0 1 1 0 0 0 0 1
25.000 0 0 0 0 0 0 1 2 2 0 0 0 0 2 0 1 0 1 0 1
26.000 2 0 0 0 2 0 0 0 0 0 0 0 0 2 1 0 0 0 0 0
27.000 1 0 0 0 1 0 0 0 0 0 2 0 2 0 0 2 0 0 2 0
28.000 1 0 0 0 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 1
29.000 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 0 1
30.000 1 1 1 1 1 0 1 0 2 0 0 1 1 0 0 1 1 0 0 0
31.000 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0
32.000 1 3 2 0 1 1 1 2 0 1 0 0 0 1 0 1 3 0 0 2
33.000 0 2 1 0 0 0 1 1 0 0 1 1 1 1 1 0 0 1 0 0
34.000 1 0 0 1 1 0 1 0 0 0 0 2 0 0 0 1 1 0 0 0
35.000 0 1 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0
36.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
37.000 3 2 4 3 1 1 4 2 3 2 5 3 3 3 3 1 4 2 3 3
38.000 0 1 0 0 0 0 0 0 0 0 0 2 0 0 1 0 0 0 0 0
39.000 0 0 0 1 0 1 0 0 0 1 1 0 0 0 0 0 1 0 2 0
40.000 1 1 0 0 0 0 1 1 0 3 1 1 1 2 1 3 1 2 1 0
41.000 1 0 2 1 1 1 1 2 2 3 3 2 2 2 1 1 1 0 1 2
42.000 0 2 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 0 1 0
43.000 3 0 0 0 0 1 0 0 0 4 3 0 0 0 0 4 5 0 0 2
44.000 1 1 0 0 0 0 1 0 1 1 1 1 1 1 1 1 2 2 3 1
45.000 1 3 3 2 1 3 1 2 2 1 2 0 3 8 3 2 0 2 1 1
46.000 0 1 0 0 0 2 0 1 0 1 3 1 0 0 0 0 2 0 0 2
47.000 4 0 0 4 0 2 0 0 0 0 1 1 0 0 6 0 2 2 1 1
48.000 0 3 0 0 1 0 0 0 2 0 0 1 0 0 0 0 1 1 2 0
49.000 1 0 2 2 1 3 0 2 0 1 0 0 1 1 2 2 0 1 1 0
50.000 1 0 1 1 2 0 1 1 0 1 0 1 3 0 0 3 1 2 4 0
51.000 0 0 0 1 1 0 2 0 0 1 1 0 0 0 0 0 1 1 0 0
52.000 0 0 0 0 0 0 0 2 0 0 0 2 0 0 0 0 0 0 1 0
53.000 0 0 0 0 1 0 0 0 0 0 1 0 2 1 0 2 0 1 3 1
54.000 1 2 1 2 1 4 4 2 1 2 5 2 1 2 0 1 2 3 1 3
55.000 0 2 0 1 1 0 0 0 1 0 1 1 1 0 1 1 1 0 0 0
56.000 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0
57.000 1 0 0 0 0 0 0 0 1 0 1 0 0 1 1 0 0 0 1 1
58.000 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0
59.000 0 1 0 0 1 1 0 0 2 0 0 0 1 0 0 3 2 0 1 0
60.000 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 3 0
61.000 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0
62.000 0 0 0 1 0 2 2 0 0 0 0 1 2 1 1 1 1 1 0 0
63.000 0 0 0 0 0 1 3 0 2 0 4 1 0 0 0 2 1 0 3 0
64.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
65.000 0 0 0 0 1 0 2 0 0 1 0 0 2 0 0 0 1 1 0 2
66.000 0 0 0 0 0 0 0 2 1 1 0 0 0 0 0 0 0 0 0 0
67.000 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 2 4 0 0 0
68.000 0 0 0 1 0 0 0 0 0 0 2 0 1 0 0 0 0 0 0 1
69.000 2 0 0 0 1 2 1 2 2 1 0 0 1 0 0 1 0 2 0 2
70.000 1 0 0 0 0 1 0 2 1 2 0 1 0 0 1 0 0 2 1 0
71.000 0 0 0 1 0 0 0 0 0 0 0 0 2 1 0 1 1 0 1 0
72.000 0 0 1 1 0 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0
73.000 2 0 1 0 1 0 0 0 1 2 4 1 0 1 1 1 0 0 0 2
99.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
100.000 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
101.000 4 2 1 0 0 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0
102.000 1 3 2 1 2 1 0 3 0 1 0 1 0 1 0 2 2 1 1 2
103.000 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
104.000 0 1 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 1 0 0
105.000 3 1 1 1 2 1 1 1 2 1 1 1 1 3 2 0 1 1 1 2
106.000 1 1 1 1 2 0 1 1 1 2 3 2 0 2 1 3 1 3 1 1
107.000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
108.000 0 1 0 1 1 1 1 2 0 0 0 1 0 1 2 0 1 1 0 0
109.000 3 4 2 1 2 2 3 1 3 2 4 4 3 2 2 0 2 2 3 3
110.000 2 0 1 0 1 0 1 0 1 3 1 1 0 1 1 2 4 1 2 0
111.000 3 1 1 2 2 2 1 3 1 2 1 1 1 1 1 3 2 1 2 2
112.000 2 1 0 4 4 4 2 0 1 3 1 2 1 2 3 2 0 2 2 2
113.000 0 0 1 0 0 2 2 1 2 1 0 1 3 0 1 1 1 1 3 2
114.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
115.000 2 0 0 1 1 2 0 2 0 1 0 0 0 0 0 2 0 0 1 2
116.000 0 1 0 2 0 1 1 0 0 0 0 0 1 0 0 2 0 3 0 0
117.000 0 0 0 2 0 0 0 0 0 0 2 0 0 0 0 0 2 2 0 2
118.000 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 1 0 0
119.000 0 0 0 1 0 0 0 0 0 3 0 0 0 0 1 0 0 0 0 0
120.000 0 2 0 0 2 1 0 0 0 0 1 0 0 0 0 0 0 0 2 0
121.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0
122.000 1 0 1 0 1 0 1 1 1 2 2 0 0 1 0 0 1 0 1 2
123.000 1 0 0 1 1 2 1 1 1 1 1 0 2 0 1 1 1 1 0 1
124.000 0 1 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0
125.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0
126.000 0 0 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 1 0
127.000 2 1 2 2 2 2 4 5 4 5 2 3 5 2 4 2 2 3 3 2
128.000 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0
129.000 0 1 0 3 0 0 0 0 0 0 1 0 1 0 0 1 0 0 0 0
130.000 1 0 0 1 1 1 1 1 1 1 2 0 0 1 0 1 0 1 1 0
131.000 2 1 2 2 1 1 1 1 1 1 2 1 2 1 2 1 5 2 0 1
132.000 0 0 0 0 0 1 3 0 0 0 2 0 0 0 1 0 0 0 0 4
133.000 0 1 0 1 0 0 1 0 0 0 0 0 1 0 0 2 1 1 0 0
134.000 1 0 0 1 1 1 0 1 2 1 1 0 0 1 1 1 0 2 1 0
135.000 1 1 0 2 0 0 3 2 3 0 0 1 1 1 2 1 2 1 2 6
136.000 0 0 0 0 1 2 1 0 0 3 0 3 0 0 2 0 0 1 0 0
137.000 0 0 0 0 4 0 3 0 2 3 0 0 0 0 0 0 1 0 0 0
138.000 4 1 1 0 0 2 0 0 0 0 0 0 1 2 1 6 0 0 0 2
139.000 0 1 1 1 0 0 1 1 4 1 0 0 1 0 0 1 1 0 3 2
140.000 0 0 1 0 1 1 1 0 0 1 4 0 1 0 0 1 0 0 1 1
141.000 0 1 1 0 1 0 1 0 2 1 0 1 0 1 0 2 3 0 0 0
142.000 0 0 0 0 0 0 0 0 0 0 3 0 0 2 2 3 0 3 0 0
143.000 1 0 0 1 1 1 0 0 0 1 3 1 0 1 1 1 1 2 1 0
144.000 2 1 2 1 2 4 3 2 3 4 1 5 1 1 2 1 4 1 1 2
145.000 0 0 0 0 0 1 0 2 1 0 2 2 0 0 0 0 0 1 0 2
146.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
147.000 1 0 1 1 1 1 0 0 0 0 1 1 0 1 1 1 1 1 0 0
148.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2
149.000 1 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 1 1 1 3
150.000 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0
151.000 1 1 0 0 0 0 0 0 0 0 0 1 1 0 1 0 1 0 0 0
152.000 0 0 0 1 0 2 2 0 0 0 0 1 2 1 1 1 1 1 0 0
153.000 1 2 1 1 0 2 0 0 1 1 0 0 0 2 0 0 2 1 1 3
154.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
155.000 0 1 0 0 0 1 0 0 0 1 2 1 2 2 0 0 4 0 1 1
156.000 0 0 0 0 0 0 1 0 0 0 0 1 0 0 1 1 0 0 0 0
157.000 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 1 0 0 0
158.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
159.000 0 0 0 0 0 2 0 0 0 1 0 2 0 2 2 0 0 0 2 0
160.000 0 1 0 1 0 0 2 2 0 0 0 2 0 0 1 1 0 1 0 0
161.000 0 1 0 1 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0
162.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0
163.000 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0
#Reported_Model_Average 0.677 0.577 0.446 0.638 0.585 0.654 0.700 0.562 0.646 0.746 0.831 0.638 0.592 0.677 0.677 0.746 0.762 0.677 0.754 0.777
#Overall_Average_Reported 0.668
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2507:M 110 LEU HG :M 106 ILE O : -0.737: 0
: 2507:M 110 LEU 2HD2 :M 43 HIS CE1 : -0.522: 0
: 2507:M 44 LEU HG :M 43 HIS ND1 : -0.499: 0
: 2507:M 40 CYS HA :M 43 HIS 2HB : -0.469: 0
: 2507:M 45 LEU 2HB :M 54 ARG 2HG : -0.670: 0
: 2507:M 107 ALA O :M 111 VAL 3HG2 : -0.623: 0
: 2507:M 115 LYS 2HE :M 111 VAL CG1 : -0.472: 0
: 2507:M 115 LYS 2HE :M 111 VAL 2HG1 : -0.449: 0
: 2507:M 22 VAL 1HG2 :M 112 VAL 1HG2 : -0.600: 0
: 2507:M 22 VAL 1HG2 :M 112 VAL CG2 : -0.435: 0
: 2507:M 135 LEU 2HB :M 144 ARG 2HG : -0.587: 0
: 2507:M 73 LEU 2HD1 :M 70 LYS HA : -0.532: 0
: 2507:M 144 ARG 1HD :M 69 VAL 3HG1 : -0.476: 0
: 2507:M 69 VAL O :M 73 LEU HG : -0.475: 0
: 2507:M 105 LEU HG :M 26 HIS CE1 : -0.585: 0
: 2507:M 98 SER 1HB :M 101 GLN CB : -0.578: 0
: 2507:M 109 ILE 2HG1 :M 105 LEU O : -0.549: 0
: 2507:M 105 LEU 3HD1 :M 101 GLN O : -0.493: 0
: 2507:M 109 ILE H :M 109 ILE 2HG1 : -0.428: 0
: 2507:M 98 SER 1HB :M 101 GLN 2HB : -0.426: 0
: 2507:M 98 SER 1HB :M 101 GLN 1HB : -0.425: 0
: 2507:M 28 ALA 2HB :M 26 HIS ND1 : -0.406: 0
: 2507:M 138 LYS 1HE :M 138 LYS HA : -0.573: 0
: 2507:M 138 LYS HA :M 138 LYS CE : -0.421: 0
: 2507:M 17 ALA O :M 21 VAL 3HG2 : -0.566: 0
: 2507:M 20 LEU HG :M 16 ILE O : -0.544: 0
: 2507:M 12 VAL 2HG2 :M 122 LEU CD1 : -0.515: 0
: 2507:M 8 SER O :M 12 VAL 3HG2 : -0.469: 0
: 2507:M 16 ILE 2HG1 :M 12 VAL O : -0.447: 0
: 2507:M 17 ALA HA :M 20 LEU 2HD1 : -0.405: 0
: 2507:M 37 LEU 2HB :M 131 VAL 2HG2 : -0.506: 0
: 2507:M 23 LEU 1HD1 :M 37 LEU 1HD2 : -0.503: 0
: 2507:M 37 LEU O :M 41 VAL 3HG2 : -0.488: 0
: 2507:M 127 LEU O :M 131 VAL 3HG2 : -0.483: 0
: 2507:M 127 LEU 3HD2 :M 123 SER O : -0.427: 0
: 2507:M 134 LEU HG :M 130 CYS O : -0.485: 0
: 2507:M 27 LYS H :M 24 GLU C : -0.469: 0
: 2507:M 30 THR O :M 34 LEU HG : -0.464: 0
: 2507:M 47 ARG HA :M 47 ARG HE : -0.461: 0
: 2507:M 47 ARG 1HH1 :M 47 ARG 2HD : -0.413: 0
: 2507:M 60 GLN 1HG :M 57 VAL HA : -0.460: 0
: 2507:M 50 PRO 1HD :M 49 VAL HA : -0.439: 0
: 2507:M 4 GLN H :M 4 GLN CD : -0.438: 0
: 2507:M 102 VAL 2HG2 :M 32 LEU 1HD1 : -0.423: 0
: 2507:M 151 PHE HE2 :M 61 PHE HE2 : -0.416: 0
: 2507:M 143 SER O :M 147 VAL 3HG2 : -0.415: 0
: 2507:M 149 GLU O :M 153 LYS 2HG : -0.413: 0
#sum2 ::18.75 clashscore : 18.75 clashscore B<40
#summary::2507 atoms:2507 atoms B<40:281958 potential dots:17620.0 A^2:47 bumps:47 bumps B<40:729.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2507:M 19 ILE 1HG1 :M 15 LEU O : -0.758: 0
: 2507:M 19 ILE 3HG2 :M 109 ILE 3HG2 : -0.568: 0
: 2507:M 109 ILE 2HG1 :M 105 LEU O : -0.567: 0
: 2507:M 109 ILE H :M 109 ILE 2HG1 : -0.427: 0
: 2507:M 139 VAL HB :M 135 LEU O : -0.670: 0
: 2507:M 46 GLU HA :M 54 ARG NE : -0.666: 0
: 2507:M 42 THR HA :M 45 LEU 2HD1 : -0.555: 0
: 2507:M 58 ALA 2HB :M 45 LEU 3HD1 : -0.517: 0
: 2507:M 45 LEU 2HB :M 54 ARG 2HG : -0.474: 0
: 2507:M 155 LEU 2HD2 :M 42 THR OG1 : -0.449: 0
: 2507:M 17 ALA O :M 21 VAL 3HG2 : -0.609: 0
: 2507:M 107 ALA O :M 111 VAL 3HG2 : -0.607: 0
: 2507:M 55 GLN O :M 59 GLU 2HG : -0.543: 0
: 2507:M 160 LYS 1HG :M 55 GLN OE1 : -0.405: 0
: 2507:M 23 LEU 1HD1 :M 37 LEU 1HD2 : -0.532: 0
: 2507:M 33 SER O :M 37 LEU HG : -0.490: 0
: 2507:M 33 SER 2HB :M 23 LEU 3HD1 : -0.420: 0
: 2507:M 22 VAL 1HG2 :M 112 VAL 1HG2 : -0.519: 0
: 2507:M 94 GLN CD :M 94 GLN H : -0.509: 0
: 2507:M 108 GLU 1HG :M 104 SER O : -0.503: 0
: 2507:M 106 ILE 2HG1 :M 102 VAL O : -0.498: 0
: 2507:M 97 TYR CE1 :M 32 LEU 1HB : -0.482: 0
: 2507:M 32 LEU 1HB :M 97 TYR CZ : -0.477: 0
: 2507:M 98 SER 1HB :M 101 GLN CB : -0.469: 0
: 2507:M 102 VAL 3HG2 :M 98 SER O : -0.440: 0
: 2507:M 102 VAL 2HG2 :M 32 LEU 1HD1 : -0.419: 0
: 2507:M 98 SER 1HB :M 101 GLN 1HB : -0.404: 0
: 2507:M 120 THR O :M 124 LEU HG : -0.496: 0
: 2507:M 120 THR OG1 :M 48 LYS 2HG : -0.486: 0
: 2507:M 48 LYS O :M 48 LYS 2HD : -0.485: 0
: 2507:M 127 LEU O :M 131 VAL 3HG2 : -0.493: 0
: 2507:M 56 ALA O :M 60 GLN 2HG : -0.484: 0
: 2507:M 165 HIS 1HB :M 161 SER O : -0.468: 0
: 2507:M 30 THR OG1 :M 138 LYS 2HE : -0.442: 0
: 2507:M 44 LEU HG :M 40 CYS O : -0.432: 0
: 2507:M 151 PHE CZ :M 38 GLY 1HA : -0.431: 0
: 2507:M 31 ASP O :M 35 MET 2HG : -0.431: 0
: 2507:M 144 ARG CD :M 141 SER HA : -0.430: 0
: 2507:M 133 HIS 1HB :M 129 ASN O : -0.426: 0
: 2507:M 8 SER O :M 12 VAL 3HG2 : -0.425: 0
: 2507:M 153 LYS N :M 153 LYS 2HE : -0.408: 0
: 2507:M 116 HIS NE2 :M 18 GLU OE1 : -0.403: 0
#sum2 ::16.75 clashscore : 16.75 clashscore B<40
#summary::2507 atoms:2507 atoms B<40:282043 potential dots:17630.0 A^2:42 bumps:42 bumps B<40:643.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2507:M 19 ILE 3HG2 :M 109 ILE 3HG2 : -0.829: 0
: 2507:M 19 ILE 1HG1 :M 15 LEU O : -0.723: 0
: 2507:M 109 ILE 2HG1 :M 105 LEU O : -0.525: 0
: 2507:M 23 LEU 1HD1 :M 37 LEU 1HD2 : -0.785: 0
: 2507:M 113 LEU 1HD1 :M 127 LEU 1HD2 : -0.785: 0
: 2507:M 23 LEU 2HD1 :M 20 LEU 3HD2 : -0.630: 0
: 2507:M 37 LEU 2HB :M 131 VAL 2HG2 : -0.600: 0
: 2507:M 127 LEU O :M 131 VAL 3HG2 : -0.561: 0
: 2507:M 37 LEU O :M 41 VAL 3HG2 : -0.555: 0
: 2507:M 37 LEU 3HD2 :M 33 SER O : -0.464: 0
: 2507:M 49 VAL HB :M 45 LEU O : -0.457: 0
: 2507:M 49 VAL 1HG2 :M 45 LEU 3HD2 : -0.436: 0
: 2507:M 41 VAL O :M 45 LEU HG : -0.430: 0
: 2507:M 23 LEU 2HD1 :M 20 LEU HA : -0.400: 0
: 2507:M 144 ARG 2HG :M 140 PRO O : -0.616: 0
: 2507:M 122 LEU 3HD1 :M 7 TYR CE1 : -0.616: 0
: 2507:M 4 GLN OE1 :M 4 GLN HA : -0.521: 0
: 2507:M 6 LYS 1HE :M 7 TYR CE1 : -0.506: 0
: 2507:M 7 TYR O :M 4 GLN 2HB : -0.455: 0
: 2507:M 144 ARG CD :M 141 SER HA : -0.417: 0
: 2507:M 54 ARG 2HG :M 50 PRO O : -0.609: 0
: 2507:M 107 ALA O :M 111 VAL 3HG2 : -0.590: 0
: 2507:M 56 ALA O :M 60 GLN 1HG : -0.590: 0
: 2507:M 17 ALA O :M 21 VAL 3HG2 : -0.585: 0
: 2507:M 169 HIS CE1 :M 164 GLU 2HB : -0.572: 0
: 2507:M 102 VAL 2HG2 :M 32 LEU 1HD1 : -0.517: 0
: 2507:M 102 VAL 3HG2 :M 98 SER O : -0.478: 0
: 2507:M 101 GLN 2HG :M 32 LEU 1HD2 : -0.437: 0
: 2507:M 153 LYS 2HB :M 150 GLN O : -0.464: 0
: 2507:M 138 LYS 2HD :M 30 THR 3HG2 : -0.460: 0
: 2507:M 110 LEU HG :M 106 ILE O : -0.450: 0
: 2507:M 139 VAL 1HG2 :M 147 VAL 1HG2 : -0.437: 0
: 2507:M 16 ILE 2HG1 :M 12 VAL O : -0.431: 0
: 2507:M 73 LEU 2HD1 :M 72 ASN 2HB : -0.413: 0
#sum2 ::13.56 clashscore : 13.56 clashscore B<40
#summary::2507 atoms:2507 atoms B<40:282224 potential dots:17640.0 A^2:34 bumps:34 bumps B<40:711.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2507:M 135 LEU 2HB :M 144 ARG 2HG : -0.906: 0
: 2507:M 139 VAL 1HG2 :M 135 LEU 3HD2 : -0.405: 0
: 2507:M 109 ILE 1HG1 :M 105 LEU O : -0.769: 0
: 2507:M 47 ARG HA :M 47 ARG HE : -0.742: 0
: 2507:M 47 ARG NE :M 47 ARG HA : -0.536: 0
: 2507:M 74 GLU 1HG :M 75 HIS H : -0.707: 0
: 2507:M 75 HIS H :M 74 GLU CG : -0.439: 0
: 2507:M 71 SER O :M 74 GLU 1HB : -0.437: 0
: 2507:M 15 LEU HG :M 116 HIS ND1 : -0.663: 0
: 2507:M 22 VAL 1HG2 :M 112 VAL 1HG2 : -0.643: 0
: 2507:M 112 VAL 2HG1 :M 116 HIS CE1 : -0.613: 0
: 2507:M 22 VAL CG2 :M 112 VAL 1HG2 : -0.508: 0
: 2507:M 108 GLU O :M 112 VAL 3HG2 : -0.493: 0
: 2507:M 15 LEU 3HD1 :M 11 GLN O : -0.465: 0
: 2507:M 129 ASN ND2 :M 126 ALA HA : -0.658: 0
: 2507:M 133 HIS 1HB :M 129 ASN O : -0.520: 0
: 2507:M 20 LEU HG :M 16 ILE O : -0.474: 0
: 2507:M 16 ILE 1HG1 :M 129 ASN 1HD2 : -0.444: 0
: 2507:M 37 LEU 2HB :M 131 VAL 2HG2 : -0.643: 0
: 2507:M 127 LEU O :M 131 VAL 3HG2 : -0.501: 0
: 2507:M 37 LEU O :M 41 VAL 3HG2 : -0.490: 0
: 2507:M 127 LEU HG :M 123 SER O : -0.435: 0
: 2507:M 23 LEU 1HD1 :M 37 LEU 1HD2 : -0.423: 0
: 2507:M 17 ALA O :M 21 VAL 3HG2 : -0.575: 0
: 2507:M 107 ALA O :M 111 VAL 3HG2 : -0.562: 0
: 2507:M 111 VAL O :M 115 LYS 2HG : -0.428: 0
: 2507:M 164 GLU O :M 161 SER HA : -0.561: 0
: 2507:M 134 LEU HG :M 130 CYS O : -0.539: 0
: 2507:M 160 LYS HA :M 55 GLN 2HE2 : -0.519: 0
: 2507:M 54 ARG 2HG :M 50 PRO O : -0.510: 0
: 2507:M 54 ARG CD :M 51 SER HA : -0.436: 0
: 2507:M 6 LYS 1HE :M 119 PRO 2HG : -0.492: 0
: 2507:M 62 ALA 1HB :M 152 ALA 1HB : -0.460: 0
: 2507:M 143 SER O :M 147 VAL 3HG2 : -0.449: 0
: 2507:M 153 LYS 2HE :M 149 GLU OE1 : -0.448: 0
: 2507:M 104 SER 2HB :M 100 THR O : -0.448: 0
: 2507:M 8 SER O :M 12 VAL 3HG2 : -0.447: 0
: 2507:M 103 GLU HA :M 106 ILE 2HD1 : -0.439: 0
: 2507:M 102 VAL 3HG2 :M 98 SER O : -0.434: 0
: 2507:M 49 VAL HB :M 45 LEU O : -0.428: 0
: 2507:M 117 LYS 2HB :M 117 LYS NZ : -0.428: 0
: 2507:M 49 VAL 1HG2 :M 45 LEU 3HD2 : -0.414: 0
: 2507:M 30 THR O :M 34 LEU HG : -0.418: 0
: 2507:M 35 MET O :M 39 ASN 1HB : -0.417: 0
: 2507:M 80 HIS ND1 :M 80 HIS O2 : -0.414: 0
: 2507:M 56 ALA O :M 60 GLN 2HG : -0.411: 0
: 2507:M 68 SER O :M 72 ASN 1HB : -0.409: 0
#sum2 ::18.75 clashscore : 18.75 clashscore B<40
#summary::2507 atoms:2507 atoms B<40:282369 potential dots:17650.0 A^2:47 bumps:47 bumps B<40:709.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2507:M 73 LEU 1HD1 :M 141 SER 1HB : -0.875: 0
: 2507:M 22 VAL 1HG2 :M 112 VAL CG2 : -0.757: 0
: 2507:M 22 VAL 1HG2 :M 112 VAL 1HG2 : -0.593: 0
: 2507:M 22 VAL 1HG2 :M 112 VAL 2HG2 : -0.488: 0
: 2507:M 108 GLU O :M 112 VAL 3HG2 : -0.458: 0
: 2507:M 144 ARG 2HG :M 140 PRO O : -0.615: 0
: 2507:M 136 GLU HA :M 144 ARG NH2 : -0.475: 0
: 2507:M 19 ILE 2HG1 :M 15 LEU O : -0.607: 0
: 2507:M 109 ILE 2HG1 :M 105 LEU O : -0.554: 0
: 2507:M 26 HIS CE1 :M 105 LEU 2HD2 : -0.523: 0
: 2507:M 19 ILE 3HG2 :M 109 ILE 3HG2 : -0.497: 0
: 2507:M 26 HIS NE2 :M 28 ALA 2HB : -0.427: 0
: 2507:M 19 ILE 1HD1 :M 15 LEU HG : -0.408: 0
: 2507:M 107 ALA O :M 111 VAL 3HG2 : -0.602: 0
: 2507:M 111 VAL O :M 115 LYS 2HG : -0.451: 0
: 2507:M 96 LYS H :M 96 LYS 2HD : -0.591: 0
: 2507:M 96 LYS 1HG :M 97 TYR CD2 : -0.546: 0
: 2507:M 96 LYS H :M 96 LYS CD : -0.430: 0
: 2507:M 110 LEU HG :M 106 ILE O : -0.586: 0
: 2507:M 106 ILE 2HG1 :M 102 VAL O : -0.509: 0
: 2507:M 102 VAL 2HG2 :M 32 LEU CD1 : -0.482: 0
: 2507:M 17 ALA O :M 21 VAL 3HG2 : -0.576: 0
: 2507:M 127 LEU HG :M 123 SER O : -0.565: 0
: 2507:M 127 LEU O :M 131 VAL 3HG2 : -0.511: 0
: 2507:M 51 SER 1HB :M 163 LEU 1HD2 : -0.534: 0
: 2507:M 49 VAL 1HG2 :M 45 LEU 3HD2 : -0.520: 0
: 2507:M 94 GLN HA :M 94 GLN OE1 : -0.513: 0
: 2507:M 137 ARG NE :M 137 ARG HA : -0.497: 0
: 2507:M 137 ARG HA :M 137 ARG HE : -0.415: 0
: 2507:M 134 LEU HG :M 130 CYS O : -0.495: 0
: 2507:M 55 GLN O :M 59 GLU 2HG : -0.492: 0
: 2507:M 54 ARG 2HG :M 50 PRO O : -0.491: 0
: 2507:M 50 PRO 1HG :M 53 SER 1HB : -0.406: 0
: 2507:M 143 SER O :M 147 VAL 3HG2 : -0.467: 0
: 2507:M 69 VAL 3HG2 :M 65 LEU O : -0.464: 0
: 2507:M 37 LEU O :M 41 VAL 3HG2 : -0.454: 0
: 2507:M 16 ILE 2HG1 :M 12 VAL O : -0.448: 0
: 2507:M 12 VAL 2HG2 :M 122 LEU CD1 : -0.427: 0
: 2507:M 27 LYS H :M 24 GLU C : -0.447: 0
: 2507:M 120 THR O :M 124 LEU HG : -0.438: 0
: 2507:M 120 THR OG1 :M 48 LYS 2HE : -0.418: 0
: 2507:M 30 THR O :M 34 LEU HG : -0.430: 0
: 2507:M 74 GLU O :M 75 HIS 1HB : -0.413: 0
#sum2 ::17.15 clashscore : 17.15 clashscore B<40
#summary::2507 atoms:2507 atoms B<40:281968 potential dots:17620.0 A^2:43 bumps:43 bumps B<40:693.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2507:M 22 VAL 1HG2 :M 112 VAL 1HG2 : -0.813: 0
: 2507:M 22 VAL CG2 :M 112 VAL 1HG2 : -0.649: 0
: 2507:M 111 VAL O :M 115 LYS 2HG : -0.606: 0
: 2507:M 107 ALA O :M 111 VAL 3HG2 : -0.531: 0
: 2507:M 108 GLU O :M 112 VAL 3HG2 : -0.506: 0
: 2507:M 18 GLU O :M 22 VAL 3HG2 : -0.466: 0
: 2507:M 112 VAL HA :M 115 LYS 2HE : -0.444: 0
: 2507:M 62 ALA 1HB :M 152 ALA 1HB : -0.804: 0
: 2507:M 62 ALA 1HB :M 152 ALA CB : -0.541: 0
: 2507:M 102 VAL 2HG2 :M 32 LEU 1HD1 : -0.722: 0
: 2507:M 144 ARG 2HG :M 140 PRO O : -0.705: 0
: 2507:M 72 ASN ND2 :M 144 ARG 1HH1 : -0.526: 0
: 2507:M 136 GLU HA :M 144 ARG NE : -0.493: 0
: 2507:M 136 GLU HA :M 144 ARG CZ : -0.426: 0
: 2507:M 74 GLU 1HB :M 78 HIS HA : -0.682: 0
: 2507:M 70 LYS O :M 74 GLU 1HG : -0.572: 0
: 2507:M 109 ILE 2HG1 :M 105 LEU O : -0.632: 0
: 2507:M 19 ILE 2HG1 :M 15 LEU O : -0.532: 0
: 2507:M 19 ILE 3HG2 :M 109 ILE 3HG2 : -0.487: 0
: 2507:M 15 LEU 3HD1 :M 11 GLN O : -0.428: 0
: 2507:M 69 VAL 2HG1 :M 145 GLN NE2 : -0.625: 0
: 2507:M 69 VAL 2HG2 :M 132 THR 3HG2 : -0.439: 0
: 2507:M 46 GLU HA :M 54 ARG NE : -0.597: 0
: 2507:M 45 LEU 2HB :M 54 ARG 2HG : -0.571: 0
: 2507:M 159 VAL 3HG1 :M 54 ARG 1HG : -0.517: 0
: 2507:M 49 VAL HB :M 45 LEU O : -0.515: 0
: 2507:M 159 VAL 3HG2 :M 155 LEU O : -0.436: 0
: 2507:M 120 THR 1HG2 :M 49 VAL CG2 : -0.418: 0
: 2507:M 46 GLU HA :M 54 ARG CZ : -0.417: 0
: 2507:M 49 VAL 1HG2 :M 45 LEU 3HD2 : -0.414: 0
: 2507:M 17 ALA O :M 21 VAL 3HG2 : -0.569: 0
: 2507:M 153 LYS 1HB :M 153 LYS 2HE : -0.491: 0
: 2507:M 16 ILE 2HG1 :M 12 VAL O : -0.476: 0
: 2507:M 127 LEU O :M 131 VAL 3HG2 : -0.476: 0
: 2507:M 127 LEU HG :M 123 SER O : -0.443: 0
: 2507:M 123 SER 1HB :M 113 LEU 3HD1 : -0.429: 0
: 2507:M 116 HIS CE1 :M 113 LEU HA : -0.402: 0
: 2507:M 59 GLU O :M 63 LYS 2HG : -0.466: 0
: 2507:M 76 HIS 2HB :M 75 HIS O : -0.450: 0
: 2507:M 37 LEU O :M 41 VAL 3HG2 : -0.434: 0
: 2507:M 166 HIS 1HB :M 165 HIS O : -0.431: 0
: 2507:M 134 LEU HG :M 130 CYS O : -0.418: 0
: 2507:M 47 ARG 2HD :M 47 ARG HA : -0.416: 0
: 2507:M 138 LYS 2HE :M 138 LYS O : -0.414: 0
: 2507:M 143 SER O :M 147 VAL 3HG2 : -0.413: 0
: 2507:M 43 HIS 1HB :M 39 ASN O : -0.404: 0
: 2507:M 6 LYS 2HB :M 5 SER O : -0.401: 0
#sum2 ::18.75 clashscore : 18.75 clashscore B<40
#summary::2507 atoms:2507 atoms B<40:282061 potential dots:17630.0 A^2:47 bumps:47 bumps B<40:702.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2507:M 62 ALA 1HB :M 152 ALA 1HB : -0.882: 0
: 2507:M 152 ALA 1HB :M 62 ALA CB : -0.754: 0
: 2507:M 157 GLN HA :M 160 LYS 1HB : -0.644: 0
: 2507:M 160 LYS 2HG :M 156 ALA O : -0.477: 0
: 2507:M 67 GLN 1HG :M 63 LYS O : -0.633: 0
: 2507:M 63 LYS 1HB :M 63 LYS 2HE : -0.416: 0
: 2507:M 113 LEU 1HD1 :M 127 LEU 1HD2 : -0.581: 0
: 2507:M 127 LEU 3HD2 :M 123 SER O : -0.464: 0
: 2507:M 127 LEU 1HD2 :M 113 LEU CD1 : -0.450: 0
: 2507:M 127 LEU O :M 131 VAL 3HG2 : -0.444: 0
: 2507:M 109 ILE 2HG1 :M 105 LEU O : -0.576: 0
: 2507:M 109 ILE 2HG1 :M 109 ILE H : -0.400: 0
: 2507:M 133 HIS O :M 137 ARG 1HG : -0.557: 0
: 2507:M 137 ARG HA :M 137 ARG 2HD : -0.440: 0
: 2507:M 13 GLU 2HB :M 10 THR HA : -0.547: 0
: 2507:M 107 ALA O :M 111 VAL 3HG2 : -0.540: 0
: 2507:M 144 ARG 2HG :M 140 PRO O : -0.539: 0
: 2507:M 136 GLU HA :M 144 ARG CZ : -0.482: 0
: 2507:M 144 ARG CD :M 141 SER HA : -0.425: 0
: 2507:M 17 ALA O :M 21 VAL 3HG2 : -0.536: 0
: 2507:M 25 LYS 1HE :M 21 VAL 2HG1 : -0.508: 0
: 2507:M 16 ILE 3HG2 :M 130 CYS SG : -0.532: 0
: 2507:M 132 THR HA :M 135 LEU 2HD1 : -0.531: 0
: 2507:M 139 VAL HB :M 135 LEU O : -0.441: 0
: 2507:M 69 VAL 3HG2 :M 65 LEU O : -0.423: 0
: 2507:M 65 LEU 2HD2 :M 132 THR OG1 : -0.419: 0
: 2507:M 135 LEU 1HB :M 132 THR O : -0.417: 0
: 2507:M 32 LEU 1HB :M 97 TYR CZ : -0.523: 0
: 2507:M 51 SER HA :M 54 ARG 1HD : -0.511: 0
: 2507:M 54 ARG 2HG :M 50 PRO O : -0.457: 0
: 2507:M 54 ARG CD :M 51 SER HA : -0.449: 0
: 2507:M 45 LEU 2HB :M 54 ARG 1HG : -0.446: 0
: 2507:M 19 ILE 1HG1 :M 15 LEU O : -0.495: 0
: 2507:M 122 LEU HG :M 15 LEU 2HD2 : -0.461: 0
: 2507:M 15 LEU HG :M 116 HIS ND1 : -0.457: 0
: 2507:M 19 ILE H :M 19 ILE 1HG1 : -0.416: 0
: 2507:M 37 LEU O :M 41 VAL 3HG2 : -0.470: 0
: 2507:M 37 LEU 3HD2 :M 33 SER O : -0.447: 0
: 2507:M 23 LEU 1HD1 :M 37 LEU 1HD2 : -0.441: 0
: 2507:M 37 LEU 1HD2 :M 23 LEU CD1 : -0.415: 0
: 2507:M 44 LEU HG :M 40 CYS O : -0.444: 0
: 2507:M 18 GLU OE2 :M 112 VAL 3HG1 : -0.443: 0
: 2507:M 108 GLU O :M 112 VAL 3HG2 : -0.405: 0
: 2507:M 77 HIS 1HB :M 76 HIS O : -0.422: 0
: 2507:M 110 LEU HG :M 106 ILE O : -0.410: 0
: 2507:M 128 GLY 1HA :M 61 PHE CZ : -0.407: 0
: 2507:M 34 LEU HG :M 30 THR O : -0.401: 0
#sum2 ::18.75 clashscore : 18.75 clashscore B<40
#summary::2507 atoms:2507 atoms B<40:281910 potential dots:17620.0 A^2:47 bumps:47 bumps B<40:743 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2507:M 66 ALA 1HB :M 70 LYS 1HE : -0.726: 0
: 2507:M 70 LYS 2HG :M 66 ALA O : -0.532: 0
: 2507:M 127 LEU 2HB :M 41 VAL 2HG2 : -0.614: 0
: 2507:M 113 LEU 1HD1 :M 127 LEU 1HD2 : -0.568: 0
: 2507:M 37 LEU O :M 41 VAL 3HG2 : -0.518: 0
: 2507:M 37 LEU 3HD2 :M 33 SER O : -0.451: 0
: 2507:M 127 LEU 3HD2 :M 123 SER O : -0.449: 0
: 2507:M 127 LEU O :M 131 VAL 3HG2 : -0.430: 0
: 2507:M 127 LEU 1HD1 :M 40 CYS SG : -0.406: 0
: 2507:M 17 ALA O :M 21 VAL 3HG2 : -0.608: 0
: 2507:M 25 LYS 2HE :M 21 VAL 2HG1 : -0.492: 0
: 2507:M 21 VAL O :M 25 LYS 2HG : -0.409: 0
: 2507:M 135 LEU 2HB :M 144 ARG 2HG : -0.601: 0
: 2507:M 145 GLN O :M 149 GLU 1HG : -0.542: 0
: 2507:M 144 ARG 1HG :M 69 VAL 3HG1 : -0.516: 0
: 2507:M 139 VAL 1HG2 :M 135 LEU 3HD2 : -0.469: 0
: 2507:M 145 GLN HA :M 69 VAL 1HG1 : -0.402: 0
: 2507:M 107 ALA O :M 111 VAL 3HG2 : -0.597: 0
: 2507:M 115 LYS 1HE :M 111 VAL 2HG1 : -0.542: 0
: 2507:M 111 VAL O :M 115 LYS 2HG : -0.482: 0
: 2507:M 109 ILE 2HG1 :M 105 LEU O : -0.563: 0
: 2507:M 46 GLU HA :M 54 ARG 2HD : -0.546: 0
: 2507:M 54 ARG 2HG :M 50 PRO O : -0.460: 0
: 2507:M 49 VAL 1HG2 :M 45 LEU 3HD2 : -0.531: 0
: 2507:M 49 VAL HB :M 45 LEU O : -0.527: 0
: 2507:M 102 VAL 2HG2 :M 32 LEU CD1 : -0.506: 0
: 2507:M 106 ILE 2HG1 :M 102 VAL O : -0.417: 0
: 2507:M 102 VAL 2HG2 :M 32 LEU 1HD1 : -0.412: 0
: 2507:M 108 GLU 1HG :M 104 SER O : -0.479: 0
: 2507:M 108 GLU 2HB :M 22 VAL 1HG1 : -0.447: 0
: 2507:M 18 GLU O :M 22 VAL 3HG2 : -0.438: 0
: 2507:M 52 GLU H :M 52 GLU CD : -0.474: 0
: 2507:M 7 TYR CD2 :M 122 LEU 3HD1 : -0.464: 0
: 2507:M 98 SER 1HB :M 101 GLN 1HB : -0.456: 0
: 2507:M 98 SER 1HB :M 101 GLN CB : -0.446: 0
: 2507:M 6 LYS 1HD :M 6 LYS H : -0.454: 0
: 2507:M 94 GLN 2HG :M 95 SER H : -0.444: 0
: 2507:M 94 GLN 2HG :M 95 SER N : -0.402: 0
: 2507:M 134 LEU HG :M 130 CYS O : -0.427: 0
: 2507:M 160 LYS 2HB :M 160 LYS 1HE : -0.423: 0
: 2507:M 15 LEU 3HD2 :M 126 ALA 2HB : -0.419: 0
#sum2 ::16.35 clashscore : 16.35 clashscore B<40
#summary::2507 atoms:2507 atoms B<40:282066 potential dots:17630.0 A^2:41 bumps:41 bumps B<40:713.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2507:M 135 LEU 2HB :M 144 ARG 2HG : -0.849: 0
: 2507:M 30 THR 1HG2 :M 139 VAL 2HG2 : -0.673: 0
: 2507:M 139 VAL CG2 :M 30 THR 1HG2 : -0.590: 0
: 2507:M 69 VAL 2HG1 :M 145 GLN 1HG : -0.530: 0
: 2507:M 139 VAL 1HG2 :M 135 LEU 3HD2 : -0.522: 0
: 2507:M 73 LEU 1HD2 :M 141 SER 1HB : -0.496: 0
: 2507:M 135 LEU HA :M 139 VAL CG2 : -0.476: 0
: 2507:M 144 ARG 1HG :M 69 VAL 3HG1 : -0.415: 0
: 2507:M 144 ARG 2HB :M 141 SER O : -0.405: 0
: 2507:M 113 LEU 1HD1 :M 127 LEU 1HD2 : -0.700: 0
: 2507:M 23 LEU 1HD1 :M 37 LEU 1HD2 : -0.671: 0
: 2507:M 134 LEU HG :M 130 CYS O : -0.606: 0
: 2507:M 127 LEU 2HB :M 41 VAL 2HG2 : -0.528: 0
: 2507:M 134 LEU 1HD1 :M 37 LEU HG : -0.491: 0
: 2507:M 127 LEU O :M 131 VAL 3HG2 : -0.469: 0
: 2507:M 37 LEU O :M 41 VAL 3HG2 : -0.468: 0
: 2507:M 44 LEU 1HD1 :M 113 LEU 3HD1 : -0.436: 0
: 2507:M 127 LEU 3HD2 :M 123 SER O : -0.422: 0
: 2507:M 18 GLU 1HG :M 14 SER O : -0.644: 0
: 2507:M 19 ILE 3HG2 :M 109 ILE 3HG2 : -0.640: 0
: 2507:M 109 ILE 2HG1 :M 105 LEU O : -0.588: 0
: 2507:M 19 ILE 1HG1 :M 15 LEU O : -0.584: 0
: 2507:M 18 GLU 2HB :M 112 VAL 1HG1 : -0.494: 0
: 2507:M 19 ILE H :M 19 ILE 1HG1 : -0.427: 0
: 2507:M 109 ILE 1HD1 :M 105 LEU 2HD2 : -0.409: 0
: 2507:M 18 GLU 1HB :M 15 LEU O : -0.404: 0
: 2507:M 17 ALA O :M 21 VAL 3HG2 : -0.624: 0
: 2507:M 25 LYS 1HE :M 21 VAL CG1 : -0.480: 0
: 2507:M 25 LYS 1HE :M 21 VAL 2HG1 : -0.450: 0
: 2507:M 107 ALA O :M 111 VAL 3HG2 : -0.575: 0
: 2507:M 54 ARG 2HG :M 45 LEU 2HD2 : -0.551: 0
: 2507:M 57 VAL HB :M 45 LEU 1HD2 : -0.520: 0
: 2507:M 149 GLU O :M 153 LYS 2HD : -0.550: 0
: 2507:M 12 VAL 2HG2 :M 122 LEU 1HD1 : -0.544: 0
: 2507:M 16 ILE 2HG1 :M 12 VAL O : -0.490: 0
: 2507:M 169 HIS 2HB :M 168 HIS O : -0.540: 0
: 2507:M 164 GLU 2HG :M 164 GLU O : -0.475: 0
: 2507:M 59 GLU O :M 63 LYS 2HG : -0.446: 0
: 2507:M 63 LYS NZ :M 59 GLU 2HB : -0.444: 0
: 2507:M 3 ILE N :M 3 ILE 2HD1 : -0.445: 0
: 2507:M 48 LYS 1HD :M 48 LYS HA : -0.425: 0
: 2507:M 137 ARG 1HH1 :M 137 ARG 1HD : -0.414: 0
: 2507:M 163 LEU 1HD1 :M 55 GLN 1HB : -0.413: 0
: 2507:M 66 ALA O :M 70 LYS 2HG : -0.412: 0
: 2507:M 110 LEU HG :M 106 ILE O : -0.402: 0
#sum2 ::17.95 clashscore : 17.95 clashscore B<40
#summary::2507 atoms:2507 atoms B<40:282180 potential dots:17640.0 A^2:45 bumps:45 bumps B<40:697.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2507:M 19 ILE 3HG2 :M 109 ILE 3HG2 : -0.797: 0
: 2507:M 109 ILE 2HG1 :M 105 LEU O : -0.609: 0
: 2507:M 19 ILE 2HG1 :M 15 LEU O : -0.591: 0
: 2507:M 136 GLU HA :M 144 ARG NE : -0.761: 0
: 2507:M 137 ARG HA :M 137 ARG HE : -0.676: 0
: 2507:M 136 GLU 2HG :M 137 ARG 1HG : -0.623: 0
: 2507:M 144 ARG 2HG :M 140 PRO O : -0.556: 0
: 2507:M 144 ARG CZ :M 141 SER HA : -0.542: 0
: 2507:M 136 GLU HA :M 144 ARG CZ : -0.429: 0
: 2507:M 43 HIS ND1 :M 40 CYS HA : -0.728: 0
: 2507:M 110 LEU 1HD2 :M 43 HIS CE1 : -0.675: 0
: 2507:M 44 LEU HG :M 40 CYS O : -0.620: 0
: 2507:M 106 ILE 3HG2 :M 40 CYS SG : -0.517: 0
: 2507:M 110 LEU HG :M 106 ILE O : -0.463: 0
: 2507:M 110 LEU 1HD2 :M 43 HIS NE2 : -0.431: 0
: 2507:M 43 HIS 2HB :M 39 ASN O : -0.401: 0
: 2507:M 73 LEU H :M 73 LEU 3HD2 : -0.690: 0
: 2507:M 49 VAL HB :M 45 LEU O : -0.644: 0
: 2507:M 23 LEU 1HD1 :M 37 LEU 1HD2 : -0.635: 0
: 2507:M 127 LEU 2HB :M 41 VAL 2HG2 : -0.628: 0
: 2507:M 113 LEU 1HD1 :M 127 LEU 1HD2 : -0.544: 0
: 2507:M 127 LEU O :M 131 VAL 3HG2 : -0.486: 0
: 2507:M 37 LEU O :M 41 VAL 3HG2 : -0.482: 0
: 2507:M 127 LEU 3HD2 :M 123 SER O : -0.440: 0
: 2507:M 127 LEU 2HB :M 41 VAL CG2 : -0.430: 0
: 2507:M 69 VAL 3HG2 :M 65 LEU O : -0.595: 0
: 2507:M 17 ALA O :M 21 VAL 3HG2 : -0.562: 0
: 2507:M 107 ALA O :M 111 VAL 3HG2 : -0.548: 0
: 2507:M 111 VAL O :M 115 LYS 2HG : -0.453: 0
: 2507:M 22 VAL CG2 :M 112 VAL 1HG2 : -0.528: 0
: 2507:M 18 GLU 1HG :M 14 SER O : -0.476: 0
: 2507:M 18 GLU 2HB :M 112 VAL CG1 : -0.454: 0
: 2507:M 18 GLU 2HB :M 112 VAL 1HG1 : -0.408: 0
: 2507:M 139 VAL 2HG1 :M 143 SER 2HB : -0.525: 0
: 2507:M 54 ARG 2HG :M 50 PRO O : -0.524: 0
: 2507:M 54 ARG CD :M 51 SER HA : -0.431: 0
: 2507:M 66 ALA O :M 70 LYS 1HG : -0.511: 0
: 2507:M 75 HIS 1HB :M 74 GLU O : -0.446: 0
: 2507:M 70 LYS O :M 74 GLU 1HB : -0.445: 0
: 2507:M 134 LEU HG :M 130 CYS O : -0.506: 0
: 2507:M 7 TYR CD1 :M 7 TYR N : -0.499: 0
: 2507:M 16 ILE 2HG1 :M 12 VAL O : -0.494: 0
: 2507:M 20 LEU HG :M 16 ILE O : -0.481: 0
: 2507:M 98 SER 1HB :M 101 GLN CB : -0.488: 0
: 2507:M 98 SER 1HB :M 101 GLN 2HB : -0.407: 0
: 2507:M 6 LYS 2HD :M 6 LYS N : -0.480: 0
: 2507:M 46 GLU 2HG :M 42 THR O : -0.478: 0
: 2507:M 150 GLN HA :M 153 LYS 2HD : -0.469: 0
: 2507:M 119 PRO 1HD :M 122 LEU 2HB : -0.463: 0
: 2507:M 122 LEU CB :M 119 PRO 1HD : -0.421: 0
: 2507:M 119 PRO 2HD :M 118 ALA HA : -0.406: 0
: 2507:M 78 HIS H :M 76 HIS C : -0.457: 0
: 2507:M 77 HIS 2HB :M 76 HIS O : -0.428: 0
: 2507:M 159 VAL 3HG2 :M 155 LEU O : -0.420: 0
: 2507:M 102 VAL 2HG2 :M 32 LEU 1HD1 : -0.420: 0
#sum2 ::21.94 clashscore : 21.94 clashscore B<40
#summary::2507 atoms:2507 atoms B<40:281892 potential dots:17620.0 A^2:55 bumps:55 bumps B<40:661 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2507:M 19 ILE 3HG2 :M 109 ILE 3HG2 : -0.764: 0
: 2507:M 110 LEU HG :M 106 ILE O : -0.628: 0
: 2507:M 19 ILE 2HG1 :M 15 LEU O : -0.622: 0
: 2507:M 109 ILE 2HG1 :M 105 LEU O : -0.575: 0
: 2507:M 106 ILE 3HG2 :M 40 CYS SG : -0.527: 0
: 2507:M 22 VAL CG2 :M 112 VAL 1HG2 : -0.507: 0
: 2507:M 12 VAL 2HG2 :M 122 LEU 1HD1 : -0.478: 0
: 2507:M 109 ILE 1HG1 :M 22 VAL 1HG1 : -0.458: 0
: 2507:M 19 ILE O :M 22 VAL HB : -0.434: 0
: 2507:M 15 LEU 2HD2 :M 122 LEU 2HD1 : -0.429: 0
: 2507:M 109 ILE 2HD1 :M 106 ILE HA : -0.428: 0
: 2507:M 18 GLU O :M 22 VAL 3HG2 : -0.411: 0
: 2507:M 145 GLN 2HE2 :M 73 LEU HG : -0.690: 0
: 2507:M 73 LEU HG :M 145 GLN NE2 : -0.528: 0
: 2507:M 73 LEU 3HD1 :M 73 LEU O : -0.463: 0
: 2507:M 23 LEU 1HD1 :M 37 LEU 1HD2 : -0.680: 0
: 2507:M 37 LEU 1HD1 :M 130 CYS SG : -0.506: 0
: 2507:M 41 VAL HB :M 155 LEU 1HD1 : -0.500: 0
: 2507:M 41 VAL 1HG1 :M 155 LEU 1HD2 : -0.494: 0
: 2507:M 37 LEU 2HB :M 131 VAL 2HG2 : -0.485: 0
: 2507:M 127 LEU O :M 131 VAL 3HG2 : -0.484: 0
: 2507:M 37 LEU O :M 41 VAL 3HG2 : -0.472: 0
: 2507:M 127 LEU 3HD2 :M 123 SER O : -0.469: 0
: 2507:M 37 LEU 3HD2 :M 33 SER O : -0.461: 0
: 2507:M 134 LEU HG :M 130 CYS O : -0.425: 0
: 2507:M 63 LYS 2HZ :M 63 LYS 1HB : -0.663: 0
: 2507:M 63 LYS 1HB :M 63 LYS NZ : -0.612: 0
: 2507:M 8 SER 1HB :M 11 GLN 1HB : -0.647: 0
: 2507:M 8 SER 1HB :M 11 GLN CB : -0.436: 0
: 2507:M 46 GLU HA :M 54 ARG CZ : -0.642: 0
: 2507:M 45 LEU 2HB :M 54 ARG 2HG : -0.607: 0
: 2507:M 45 LEU 2HB :M 54 ARG CG : -0.508: 0
: 2507:M 46 GLU OE2 :M 54 ARG 2HD : -0.508: 0
: 2507:M 54 ARG NH1 :M 46 GLU 2HG : -0.460: 0
: 2507:M 144 ARG 2HG :M 140 PRO O : -0.633: 0
: 2507:M 140 PRO 1HG :M 143 SER 1HB : -0.445: 0
: 2507:M 140 PRO 1HG :M 143 SER CB : -0.429: 0
: 2507:M 142 GLU CD :M 142 GLU H : -0.426: 0
: 2507:M 143 SER O :M 147 VAL 3HG2 : -0.415: 0
: 2507:M 142 GLU OE1 :M 140 PRO 1HB : -0.402: 0
: 2507:M 107 ALA O :M 111 VAL 3HG2 : -0.586: 0
: 2507:M 43 HIS 2HB :M 39 ASN O : -0.582: 0
: 2507:M 47 ARG 1HB :M 43 HIS O : -0.512: 0
: 2507:M 43 HIS CE1 :M 44 LEU HG : -0.477: 0
: 2507:M 17 ALA O :M 21 VAL 3HG2 : -0.581: 0
: 2507:M 132 THR 1HG2 :M 68 SER 2HB : -0.552: 0
: 2507:M 132 THR 1HG2 :M 68 SER CB : -0.458: 0
: 2507:M 16 ILE 1HG1 :M 126 ALA HA : -0.540: 0
: 2507:M 16 ILE 3HD1 :M 129 ASN 1HB : -0.453: 0
: 2507:M 20 LEU O :M 24 GLU 1HG : -0.519: 0
: 2507:M 27 LYS 1HB :M 27 LYS NZ : -0.456: 0
: 2507:M 51 SER O :M 55 GLN 2HG : -0.439: 0
: 2507:M 117 LYS 2HB :M 117 LYS NZ : -0.435: 0
: 2507:M 53 SER O :M 57 VAL 3HG2 : -0.413: 0
: 2507:M 124 LEU HG :M 120 THR O : -0.405: 0
#sum2 ::21.94 clashscore : 21.94 clashscore B<40
#summary::2507 atoms:2507 atoms B<40:282043 potential dots:17630.0 A^2:55 bumps:55 bumps B<40:685.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2507:M 135 LEU 2HB :M 144 ARG 2HG : -0.745: 0
: 2507:M 136 GLU HA :M 144 ARG NE : -0.516: 0
: 2507:M 144 ARG 2HB :M 141 SER HA : -0.488: 0
: 2507:M 136 GLU HA :M 144 ARG CD : -0.460: 0
: 2507:M 136 GLU HA :M 144 ARG 2HD : -0.435: 0
: 2507:M 113 LEU 1HD1 :M 127 LEU 1HD2 : -0.737: 0
: 2507:M 127 LEU 2HB :M 41 VAL 2HG2 : -0.648: 0
: 2507:M 37 LEU O :M 41 VAL 3HG2 : -0.578: 0
: 2507:M 30 THR O :M 34 LEU HG : -0.444: 0
: 2507:M 127 LEU O :M 131 VAL 3HG2 : -0.427: 0
: 2507:M 38 GLY N :M 37 LEU 3HD2 : -0.423: 0
: 2507:M 151 PHE HZ :M 38 GLY 1HA : -0.413: 0
: 2507:M 34 LEU HA :M 37 LEU CD2 : -0.408: 0
: 2507:M 19 ILE 3HG2 :M 109 ILE 3HG2 : -0.651: 0
: 2507:M 109 ILE 2HG1 :M 105 LEU O : -0.514: 0
: 2507:M 19 ILE 2HG1 :M 15 LEU O : -0.503: 0
: 2507:M 109 ILE H :M 109 ILE 2HG1 : -0.421: 0
: 2507:M 12 VAL O :M 16 ILE 1HG1 : -0.648: 0
: 2507:M 20 LEU HG :M 16 ILE O : -0.472: 0
: 2507:M 22 VAL 1HG2 :M 112 VAL 1HG2 : -0.617: 0
: 2507:M 22 VAL 1HG2 :M 112 VAL CG2 : -0.490: 0
: 2507:M 17 ALA O :M 21 VAL 3HG2 : -0.602: 0
: 2507:M 108 GLU 1HG :M 104 SER O : -0.597: 0
: 2507:M 54 ARG 2HG :M 50 PRO O : -0.586: 0
: 2507:M 46 GLU HA :M 54 ARG CZ : -0.473: 0
: 2507:M 107 ALA O :M 111 VAL 3HG2 : -0.563: 0
: 2507:M 168 HIS 1HB :M 167 HIS O : -0.561: 0
: 2507:M 160 LYS 1HG :M 55 GLN 2HG : -0.549: 0
: 2507:M 160 LYS 2HG :M 156 ALA O : -0.419: 0
: 2507:M 145 GLN 2HE2 :M 145 GLN C : -0.513: 0
: 2507:M 159 VAL 1HG2 :M 58 ALA 2HB : -0.497: 0
: 2507:M 159 VAL 3HG2 :M 155 LEU O : -0.436: 0
: 2507:M 52 GLU CD :M 52 GLU H : -0.495: 0
: 2507:M 62 ALA 1HB :M 152 ALA 1HB : -0.484: 0
: 2507:M 106 ILE 2HG1 :M 102 VAL O : -0.466: 0
: 2507:M 110 LEU HG :M 106 ILE O : -0.430: 0
: 2507:M 67 GLN 1HG :M 63 LYS O : -0.446: 0
: 2507:M 8 SER 1HB :M 11 GLN 1HB : -0.445: 0
: 2507:M 47 ARG 2HG :M 48 LYS N : -0.440: 0
: 2507:M 6 LYS 2HG :M 6 LYS O : -0.422: 0
: 2507:M 44 LEU HG :M 40 CYS O : -0.419: 0
: 2507:M 33 SER 1HB :M 23 LEU 3HD1 : -0.418: 0
: 2507:M 147 VAL 3HG2 :M 143 SER O : -0.402: 0
: 2507:M 73 LEU 1HB :M 70 LYS O : -0.400: 0
#sum2 ::17.55 clashscore : 17.55 clashscore B<40
#summary::2507 atoms:2507 atoms B<40:282120 potential dots:17630.0 A^2:44 bumps:44 bumps B<40:717.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2507:M 113 LEU 1HD1 :M 127 LEU 1HD2 : -0.762: 0
: 2507:M 19 ILE 3HG2 :M 109 ILE 3HG2 : -0.680: 0
: 2507:M 37 LEU HA :M 40 CYS SG : -0.654: 0
: 2507:M 19 ILE 2HG1 :M 15 LEU O : -0.598: 0
: 2507:M 127 LEU 2HB :M 41 VAL 2HG2 : -0.559: 0
: 2507:M 109 ILE 3HG2 :M 19 ILE CG2 : -0.534: 0
: 2507:M 127 LEU O :M 131 VAL 3HG2 : -0.534: 0
: 2507:M 109 ILE 2HG1 :M 105 LEU O : -0.517: 0
: 2507:M 69 VAL 3HG2 :M 65 LEU O : -0.499: 0
: 2507:M 127 LEU 3HD2 :M 123 SER O : -0.490: 0
: 2507:M 19 ILE 1HD1 :M 113 LEU 1HD2 : -0.483: 0
: 2507:M 127 LEU 1HD2 :M 113 LEU CD1 : -0.475: 0
: 2507:M 37 LEU O :M 41 VAL 3HG2 : -0.474: 0
: 2507:M 65 LEU 1HD2 :M 131 VAL 1HG1 : -0.457: 0
: 2507:M 15 LEU HG :M 116 HIS CE1 : -0.436: 0
: 2507:M 37 LEU 3HD2 :M 33 SER O : -0.427: 0
: 2507:M 123 SER 1HB :M 44 LEU 3HD1 : -0.411: 0
: 2507:M 49 VAL HB :M 45 LEU O : -0.664: 0
: 2507:M 45 LEU 3HD2 :M 45 LEU O : -0.431: 0
: 2507:M 62 ALA 1HB :M 152 ALA 1HB : -0.649: 0
: 2507:M 62 ALA 1HB :M 152 ALA CB : -0.593: 0
: 2507:M 144 ARG 2HG :M 140 PRO O : -0.629: 0
: 2507:M 20 LEU HG :M 16 ILE O : -0.611: 0
: 2507:M 54 ARG 2HG :M 50 PRO O : -0.577: 0
: 2507:M 50 PRO 1HG :M 53 SER CB : -0.423: 0
: 2507:M 50 PRO 1HG :M 53 SER 1HB : -0.419: 0
: 2507:M 133 HIS 2HB :M 129 ASN O : -0.562: 0
: 2507:M 17 ALA O :M 21 VAL 3HG2 : -0.531: 0
: 2507:M 155 LEU 2HD2 :M 42 THR OG1 : -0.529: 0
: 2507:M 151 PHE O :M 155 LEU HG : -0.410: 0
: 2507:M 107 ALA O :M 111 VAL 3HG2 : -0.499: 0
: 2507:M 71 SER OG :M 68 SER HA : -0.498: 0
: 2507:M 74 GLU 1HG :M 71 SER O : -0.418: 0
: 2507:M 22 VAL CG2 :M 112 VAL 1HG2 : -0.495: 0
: 2507:M 139 VAL HB :M 135 LEU O : -0.478: 0
: 2507:M 55 GLN O :M 59 GLU 2HG : -0.471: 0
: 2507:M 30 THR OG1 :M 138 LYS 2HG : -0.468: 0
: 2507:M 96 LYS C :M 97 TYR CD1 : -0.428: 0
: 2507:M 167 HIS 1HB :M 166 HIS O : -0.428: 0
: 2507:M 27 LYS 1HB :M 27 LYS NZ : -0.427: 0
: 2507:M 157 GLN O :M 161 SER 1HB : -0.420: 0
: 2507:M 93 ILE 2HG1 :M 93 ILE O : -0.412: 0
#sum2 ::16.75 clashscore : 16.75 clashscore B<40
#summary::2507 atoms:2507 atoms B<40:282236 potential dots:17640.0 A^2:42 bumps:42 bumps B<40:647.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2507:M 135 LEU 2HB :M 144 ARG 2HG : -0.737: 0
: 2507:M 45 LEU H :M 45 LEU 3HD1 : -0.733: 0
: 2507:M 45 LEU H :M 45 LEU CD1 : -0.564: 0
: 2507:M 49 VAL HB :M 45 LEU O : -0.540: 0
: 2507:M 42 THR OG1 :M 155 LEU HG : -0.514: 0
: 2507:M 159 VAL 3HG1 :M 54 ARG 1HG : -0.492: 0
: 2507:M 159 VAL 3HG2 :M 155 LEU O : -0.483: 0
: 2507:M 45 LEU C :M 45 LEU 2HD2 : -0.431: 0
: 2507:M 54 ARG 2HG :M 45 LEU 3HD2 : -0.423: 0
: 2507:M 19 ILE 3HG2 :M 109 ILE 3HG2 : -0.713: 0
: 2507:M 109 ILE 2HG1 :M 105 LEU O : -0.644: 0
: 2507:M 19 ILE 2HG1 :M 15 LEU O : -0.617: 0
: 2507:M 12 VAL 2HG2 :M 122 LEU 1HD1 : -0.593: 0
: 2507:M 26 HIS ND1 :M 105 LEU HG : -0.574: 0
: 2507:M 105 LEU HG :M 26 HIS CE1 : -0.496: 0
: 2507:M 19 ILE 2HD1 :M 16 ILE HA : -0.484: 0
: 2507:M 8 SER O :M 12 VAL 3HG2 : -0.464: 0
: 2507:M 16 ILE 2HG1 :M 12 VAL O : -0.457: 0
: 2507:M 8 SER 1HB :M 11 GLN CB : -0.442: 0
: 2507:M 127 LEU 2HB :M 41 VAL 2HG2 : -0.658: 0
: 2507:M 44 LEU HG :M 40 CYS O : -0.486: 0
: 2507:M 37 LEU O :M 41 VAL 3HG2 : -0.479: 0
: 2507:M 127 LEU O :M 131 VAL 3HG2 : -0.456: 0
: 2507:M 37 LEU 3HD2 :M 33 SER O : -0.454: 0
: 2507:M 37 LEU HA :M 40 CYS SG : -0.428: 0
: 2507:M 22 VAL 1HG2 :M 112 VAL CG2 : -0.595: 0
: 2507:M 108 GLU O :M 112 VAL 3HG2 : -0.432: 0
: 2507:M 17 ALA O :M 21 VAL 3HG2 : -0.591: 0
: 2507:M 25 LYS 1HE :M 21 VAL 2HG1 : -0.561: 0
: 2507:M 21 VAL O :M 25 LYS 2HG : -0.504: 0
: 2507:M 24 GLU 2HB :M 21 VAL O : -0.438: 0
: 2507:M 102 VAL O :M 106 ILE 1HG1 : -0.588: 0
: 2507:M 110 LEU HG :M 106 ILE O : -0.414: 0
: 2507:M 107 ALA O :M 111 VAL 3HG2 : -0.575: 0
: 2507:M 73 LEU 1HD1 :M 141 SER 1HB : -0.532: 0
: 2507:M 134 LEU HG :M 130 CYS O : -0.519: 0
: 2507:M 31 ASP O :M 35 MET 1HG : -0.491: 0
: 2507:M 142 GLU H :M 142 GLU CD : -0.479: 0
: 2507:M 53 SER O :M 57 VAL 3HG2 : -0.455: 0
: 2507:M 62 ALA 1HB :M 152 ALA 1HB : -0.451: 0
: 2507:M 143 SER O :M 147 VAL 3HG2 : -0.442: 0
: 2507:M 71 SER O :M 75 HIS 2HB : -0.438: 0
: 2507:M 153 LYS 2HD :M 153 LYS HA : -0.432: 0
: 2507:M 169 HIS H :M 167 HIS C : -0.427: 0
: 2507:M 138 LYS 2HD :M 138 LYS HA : -0.425: 0
: 2507:M 170 HIS 2HB :M 168 HIS CD2 : -0.424: 0
: 2507:M 6 LYS 2HB :M 6 LYS 1HE : -0.420: 0
: 2507:M 97 TYR CD1 :M 32 LEU 3HD1 : -0.414: 0
: 2507:M 29 PRO 2HD :M 28 ALA HA : -0.412: 0
: 2507:M 96 LYS 2HD :M 96 LYS N : -0.411: 0
: 2507:M 93 ILE C :M 93 ILE 3HD1 : -0.409: 0
#sum2 ::20.34 clashscore : 20.34 clashscore B<40
#summary::2507 atoms:2507 atoms B<40:282081 potential dots:17630.0 A^2:51 bumps:51 bumps B<40:704.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2507:M 135 LEU 2HB :M 144 ARG 2HG : -0.810: 0
: 2507:M 135 LEU 2HB :M 144 ARG CG : -0.467: 0
: 2507:M 22 VAL 1HG2 :M 112 VAL CG2 : -0.692: 0
: 2507:M 113 LEU 1HD1 :M 127 LEU 1HD2 : -0.692: 0
: 2507:M 22 VAL 1HG2 :M 112 VAL 1HG2 : -0.671: 0
: 2507:M 37 LEU 2HB :M 131 VAL 2HG2 : -0.563: 0
: 2507:M 127 LEU O :M 131 VAL 3HG2 : -0.528: 0
: 2507:M 23 LEU 1HD1 :M 37 LEU 1HD2 : -0.505: 0
: 2507:M 108 GLU O :M 112 VAL 3HG2 : -0.482: 0
: 2507:M 127 LEU 2HB :M 41 VAL 2HG2 : -0.468: 0
: 2507:M 108 GLU 1HG :M 104 SER O : -0.460: 0
: 2507:M 127 LEU 3HD2 :M 123 SER O : -0.429: 0
: 2507:M 33 SER O :M 37 LEU 3HD2 : -0.410: 0
: 2507:M 19 ILE 3HG2 :M 109 ILE 3HG2 : -0.644: 0
: 2507:M 109 ILE 2HG1 :M 105 LEU O : -0.617: 0
: 2507:M 105 LEU HG :M 26 HIS CE1 : -0.525: 0
: 2507:M 19 ILE 2HG1 :M 15 LEU O : -0.509: 0
: 2507:M 17 ALA O :M 21 VAL 3HG2 : -0.636: 0
: 2507:M 62 ALA 1HB :M 152 ALA 1HB : -0.594: 0
: 2507:M 57 VAL HB :M 45 LEU 1HD2 : -0.570: 0
: 2507:M 49 VAL HB :M 45 LEU O : -0.457: 0
: 2507:M 45 LEU 3HD2 :M 49 VAL HB : -0.448: 0
: 2507:M 16 ILE 2HG1 :M 12 VAL O : -0.539: 0
: 2507:M 20 LEU HG :M 16 ILE O : -0.478: 0
: 2507:M 8 SER O :M 12 VAL 3HG2 : -0.463: 0
: 2507:M 24 GLU 2HG :M 20 LEU O : -0.430: 0
: 2507:M 47 ARG NE :M 47 ARG HA : -0.535: 0
: 2507:M 47 ARG 1HH1 :M 47 ARG 1HD : -0.407: 0
: 2507:M 47 ARG CZ :M 47 ARG HA : -0.404: 0
: 2507:M 159 VAL 1HG1 :M 55 GLN HA : -0.516: 0
: 2507:M 159 VAL O :M 162 ASN 2HB : -0.416: 0
: 2507:M 107 ALA O :M 111 VAL 3HG2 : -0.506: 0
: 2507:M 142 GLU CD :M 142 GLU H : -0.505: 0
: 2507:M 70 LYS HA :M 73 LEU 3HD1 : -0.484: 0
: 2507:M 44 LEU HG :M 40 CYS O : -0.483: 0
: 2507:M 136 GLU 1HG :M 132 THR O : -0.466: 0
: 2507:M 72 ASN 1HD2 :M 136 GLU CD : -0.434: 0
: 2507:M 143 SER O :M 147 VAL 3HG2 : -0.456: 0
: 2507:M 29 PRO 2HD :M 28 ALA HA : -0.439: 0
: 2507:M 164 GLU O :M 161 SER HA : -0.432: 0
: 2507:M 160 LYS 2HG :M 156 ALA O : -0.419: 0
: 2507:M 110 LEU HG :M 106 ILE O : -0.415: 0
: 2507:M 138 LYS 1HB :M 134 LEU O : -0.412: 0
: 2507:M 94 GLN HA :M 94 GLN OE1 : -0.410: 0
: 2507:M 38 GLY 1HA :M 151 PHE HZ : -0.404: 0
: 2507:M 119 PRO 2HD :M 118 ALA HA : -0.401: 0
#sum2 ::18.35 clashscore : 18.35 clashscore B<40
#summary::2507 atoms:2507 atoms B<40:282327 potential dots:17650.0 A^2:46 bumps:46 bumps B<40:698.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2507:M 138 LYS 1HE :M 138 LYS HA : -0.898: 0
: 2507:M 138 LYS HA :M 138 LYS CE : -0.487: 0
: 2507:M 138 LYS 1HE :M 138 LYS CA : -0.451: 0
: 2507:M 5 SER 2HB :M 2 ALA 1HB : -0.744: 0
: 2507:M 5 SER 2HB :M 2 ALA CB : -0.426: 0
: 2507:M 44 LEU HG :M 43 HIS ND1 : -0.643: 0
: 2507:M 40 CYS HA :M 43 HIS 2HB : -0.530: 0
: 2507:M 43 HIS 2HB :M 40 CYS O : -0.502: 0
: 2507:M 40 CYS CA :M 43 HIS 2HB : -0.426: 0
: 2507:M 54 ARG 2HG :M 50 PRO O : -0.612: 0
: 2507:M 50 PRO 1HG :M 53 SER 1HB : -0.480: 0
: 2507:M 50 PRO 1HG :M 53 SER CB : -0.432: 0
: 2507:M 107 ALA O :M 111 VAL 3HG2 : -0.611: 0
: 2507:M 115 LYS 2HE :M 111 VAL CG1 : -0.479: 0
: 2507:M 111 VAL O :M 115 LYS 2HG : -0.429: 0
: 2507:M 142 GLU CD :M 142 GLU H : -0.595: 0
: 2507:M 142 GLU OE1 :M 140 PRO 1HB : -0.528: 0
: 2507:M 133 HIS 2HB :M 129 ASN O : -0.588: 0
: 2507:M 133 HIS CE1 :M 134 LEU HG : -0.410: 0
: 2507:M 17 ALA O :M 21 VAL 3HG2 : -0.579: 0
: 2507:M 25 LYS 1HG :M 21 VAL O : -0.469: 0
: 2507:M 37 LEU O :M 41 VAL 3HG2 : -0.573: 0
: 2507:M 16 ILE 3HG2 :M 130 CYS SG : -0.558: 0
: 2507:M 20 LEU HG :M 16 ILE O : -0.526: 0
: 2507:M 49 VAL 1HG2 :M 45 LEU 3HD2 : -0.550: 0
: 2507:M 49 VAL HB :M 45 LEU O : -0.504: 0
: 2507:M 63 LYS 1HE :M 59 GLU 2HB : -0.549: 0
: 2507:M 59 GLU O :M 63 LYS 2HG : -0.496: 0
: 2507:M 59 GLU 1HG :M 55 GLN O : -0.407: 0
: 2507:M 73 LEU 1HD2 :M 141 SER 1HB : -0.522: 0
: 2507:M 144 ARG 2HB :M 141 SER O : -0.418: 0
: 2507:M 127 LEU O :M 131 VAL 3HG2 : -0.501: 0
: 2507:M 123 SER O :M 127 LEU 3HD2 : -0.400: 0
: 2507:M 19 ILE 2HG1 :M 15 LEU O : -0.492: 0
: 2507:M 67 GLN HA :M 67 GLN OE1 : -0.481: 0
: 2507:M 22 VAL 1HG2 :M 112 VAL 1HG2 : -0.471: 0
: 2507:M 112 VAL 2HG1 :M 116 HIS CE1 : -0.444: 0
: 2507:M 113 LEU HA :M 116 HIS ND1 : -0.408: 0
: 2507:M 56 ALA O :M 60 GLN 2HG : -0.466: 0
: 2507:M 74 GLU 1HG :M 71 SER HA : -0.460: 0
: 2507:M 110 LEU 2HD2 :M 106 ILE 2HG2 : -0.456: 0
: 2507:M 102 VAL 2HG2 :M 32 LEU CD1 : -0.437: 0
: 2507:M 106 ILE 2HG1 :M 102 VAL O : -0.432: 0
: 2507:M 106 ILE O :M 110 LEU 3HD1 : -0.431: 0
: 2507:M 160 LYS 2HG :M 156 ALA O : -0.454: 0
: 2507:M 139 VAL HB :M 135 LEU O : -0.438: 0
: 2507:M 30 THR O :M 34 LEU HG : -0.437: 0
: 2507:M 143 SER O :M 147 VAL 3HG2 : -0.430: 0
: 2507:M 69 VAL O :M 72 ASN 2HB : -0.412: 0
: 2507:M 27 LYS HA :M 27 LYS 2HD : -0.410: 0
: 2507:M 62 ALA 1HB :M 152 ALA 1HB : -0.407: 0
#sum2 ::20.34 clashscore : 20.34 clashscore B<40
#summary::2507 atoms:2507 atoms B<40:282150 potential dots:17630.0 A^2:51 bumps:51 bumps B<40:663.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2507:M 144 ARG 1HB :M 141 SER HA : -0.705: 0
: 2507:M 141 SER CA :M 144 ARG 1HB : -0.465: 0
: 2507:M 144 ARG CB :M 141 SER HA : -0.459: 0
: 2507:M 144 ARG 2HD :M 135 LEU 2HB : -0.435: 0
: 2507:M 139 VAL 1HG2 :M 135 LEU 3HD2 : -0.404: 0
: 2507:M 19 ILE 1HG1 :M 15 LEU O : -0.666: 0
: 2507:M 19 ILE 3HG2 :M 109 ILE 3HG2 : -0.595: 0
: 2507:M 109 ILE 2HG1 :M 105 LEU O : -0.584: 0
: 2507:M 11 GLN 1HE2 :M 15 LEU 2HD2 : -0.483: 0
: 2507:M 122 LEU 1HD2 :M 11 GLN CD : -0.405: 0
: 2507:M 110 LEU 1HD2 :M 43 HIS CE1 : -0.664: 0
: 2507:M 43 HIS 2HB :M 39 ASN O : -0.586: 0
: 2507:M 110 LEU HG :M 106 ILE O : -0.541: 0
: 2507:M 43 HIS CE1 :M 44 LEU HG : -0.469: 0
: 2507:M 43 HIS HE1 :M 110 LEU 1HD2 : -0.442: 0
: 2507:M 110 LEU 3HD2 :M 113 LEU 2HD1 : -0.434: 0
: 2507:M 48 LYS 1HB :M 44 LEU O : -0.410: 0
: 2507:M 43 HIS ND1 :M 40 CYS HA : -0.401: 0
: 2507:M 74 GLU 1HG :M 71 SER HA : -0.643: 0
: 2507:M 67 GLN HA :M 67 GLN 2HE2 : -0.593: 0
: 2507:M 67 GLN 2HE2 :M 67 GLN CA : -0.496: 0
: 2507:M 17 ALA O :M 21 VAL 3HG2 : -0.591: 0
: 2507:M 47 ARG 2HG :M 46 GLU 1HB : -0.585: 0
: 2507:M 47 ARG 2HG :M 46 GLU CB : -0.423: 0
: 2507:M 54 ARG 2HG :M 50 PRO O : -0.578: 0
: 2507:M 54 ARG CD :M 51 SER HA : -0.445: 0
: 2507:M 127 LEU O :M 131 VAL 3HG2 : -0.556: 0
: 2507:M 131 VAL 2HG2 :M 37 LEU CD2 : -0.514: 0
: 2507:M 65 LEU 1HD2 :M 131 VAL 1HG1 : -0.507: 0
: 2507:M 127 LEU HG :M 123 SER O : -0.483: 0
: 2507:M 131 VAL 2HG2 :M 37 LEU HG : -0.480: 0
: 2507:M 37 LEU O :M 41 VAL 3HG2 : -0.467: 0
: 2507:M 37 LEU CG :M 131 VAL 2HG2 : -0.422: 0
: 2507:M 62 ALA 1HB :M 152 ALA CB : -0.483: 0
: 2507:M 102 VAL 2HG2 :M 32 LEU 1HD1 : -0.483: 0
: 2507:M 32 LEU 3HD2 :M 29 PRO 1HD : -0.451: 0
: 2507:M 102 VAL 2HG2 :M 32 LEU CD1 : -0.423: 0
: 2507:M 155 LEU 1HD1 :M 151 PHE CE2 : -0.470: 0
: 2507:M 155 LEU 2HD2 :M 42 THR OG1 : -0.463: 0
: 2507:M 155 LEU N :M 155 LEU 3HD2 : -0.419: 0
: 2507:M 137 ARG 1HB :M 133 HIS O : -0.461: 0
: 2507:M 107 ALA O :M 111 VAL 3HG2 : -0.459: 0
: 2507:M 111 VAL HB :M 108 GLU O : -0.402: 0
: 2507:M 117 LYS 2HB :M 117 LYS NZ : -0.450: 0
: 2507:M 153 LYS O :M 157 GLN 2HG : -0.442: 0
: 2507:M 149 GLU O :M 153 LYS 2HG : -0.430: 0
: 2507:M 59 GLU O :M 63 LYS 2HG : -0.431: 0
: 2507:M 55 GLN O :M 59 GLU 2HG : -0.408: 0
: 2507:M 143 SER O :M 147 VAL 3HG2 : -0.409: 0
: 2507:M 30 THR O :M 34 LEU HG : -0.403: 0
#sum2 ::19.94 clashscore : 19.94 clashscore B<40
#summary::2507 atoms:2507 atoms B<40:282215 potential dots:17640.0 A^2:50 bumps:50 bumps B<40:705.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2507:M 135 LEU 2HB :M 144 ARG 2HG : -0.876: 0
: 2507:M 127 LEU 3HD2 :M 113 LEU 1HD1 : -0.791: 0
: 2507:M 37 LEU 2HB :M 131 VAL 2HG2 : -0.626: 0
: 2507:M 23 LEU 1HD1 :M 37 LEU 1HD2 : -0.479: 0
: 2507:M 123 SER O :M 127 LEU 1HB : -0.448: 0
: 2507:M 127 LEU O :M 131 VAL 3HG2 : -0.443: 0
: 2507:M 19 ILE 3HG2 :M 109 ILE 3HG2 : -0.651: 0
: 2507:M 15 LEU 1HD2 :M 116 HIS CE1 : -0.629: 0
: 2507:M 116 HIS NE2 :M 118 ALA 2HB : -0.592: 0
: 2507:M 19 ILE 2HG1 :M 15 LEU O : -0.532: 0
: 2507:M 109 ILE 2HG1 :M 105 LEU O : -0.426: 0
: 2507:M 15 LEU 1HD2 :M 116 HIS HE1 : -0.413: 0
: 2507:M 21 VAL O :M 25 LYS 2HG : -0.621: 0
: 2507:M 17 ALA O :M 21 VAL 3HG2 : -0.579: 0
: 2507:M 136 GLU OE2 :M 133 HIS HA : -0.559: 0
: 2507:M 48 LYS 1HB :M 44 LEU O : -0.548: 0
: 2507:M 106 ILE 3HG2 :M 40 CYS SG : -0.507: 0
: 2507:M 44 LEU HG :M 40 CYS O : -0.440: 0
: 2507:M 106 ILE 2HG1 :M 102 VAL O : -0.418: 0
: 2507:M 110 LEU HG :M 106 ILE O : -0.416: 0
: 2507:M 149 GLU O :M 153 LYS 1HG : -0.546: 0
: 2507:M 108 GLU 1HG :M 104 SER O : -0.539: 0
: 2507:M 33 SER 1HB :M 134 LEU 3HD1 : -0.531: 0
: 2507:M 134 LEU HG :M 130 CYS O : -0.435: 0
: 2507:M 107 ALA O :M 111 VAL 3HG2 : -0.511: 0
: 2507:M 54 ARG 2HG :M 50 PRO O : -0.499: 0
: 2507:M 54 ARG 1HG :M 45 LEU O : -0.492: 0
: 2507:M 49 VAL HB :M 45 LEU O : -0.477: 0
: 2507:M 54 ARG CD :M 51 SER HA : -0.449: 0
: 2507:M 50 PRO 1HG :M 53 SER 2HB : -0.403: 0
: 2507:M 160 LYS O :M 164 GLU 1HG : -0.495: 0
: 2507:M 143 SER H :M 142 GLU 1HG : -0.480: 0
: 2507:M 143 SER O :M 147 VAL 3HG2 : -0.460: 0
: 2507:M 142 GLU H :M 142 GLU CD : -0.434: 0
: 2507:M 31 ASP O :M 35 MET 1HG : -0.475: 0
: 2507:M 47 ARG HA :M 47 ARG 2HD : -0.473: 0
: 2507:M 69 VAL 3HG2 :M 65 LEU O : -0.471: 0
: 2507:M 145 GLN HA :M 69 VAL 1HG1 : -0.411: 0
: 2507:M 16 ILE 2HG1 :M 12 VAL O : -0.467: 0
: 2507:M 8 SER O :M 12 VAL 3HG2 : -0.406: 0
: 2507:M 70 LYS 1HB :M 70 LYS NZ : -0.465: 0
: 2507:M 93 ILE 2HG2 :M 92 ALA O : -0.463: 0
: 2507:M 62 ALA 1HB :M 152 ALA CB : -0.442: 0
: 2507:M 22 VAL 1HG2 :M 112 VAL CG2 : -0.424: 0
: 2507:M 22 VAL 1HG2 :M 112 VAL 1HG2 : -0.421: 0
: 2507:M 117 LYS O :M 117 LYS 1HG : -0.417: 0
: 2507:M 94 GLN HA :M 94 GLN OE1 : -0.401: 0
#sum2 ::18.75 clashscore : 18.75 clashscore B<40
#summary::2507 atoms:2507 atoms B<40:282106 potential dots:17630.0 A^2:47 bumps:47 bumps B<40:671.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2507:M 48 LYS 1HG :M 47 ARG 1HG : -0.826: 0
: 2507:M 120 THR OG1 :M 48 LYS 1HB : -0.480: 0
: 2507:M 120 THR O :M 124 LEU HG : -0.437: 0
: 2507:M 23 LEU 1HD1 :M 37 LEU 1HD2 : -0.677: 0
: 2507:M 37 LEU O :M 41 VAL 3HG2 : -0.500: 0
: 2507:M 23 LEU 1HD1 :M 37 LEU CD2 : -0.402: 0
: 2507:M 54 ARG 2HG :M 50 PRO O : -0.652: 0
: 2507:M 52 GLU OE1 :M 50 PRO 1HB : -0.518: 0
: 2507:M 53 SER O :M 57 VAL 3HG2 : -0.488: 0
: 2507:M 50 PRO 1HG :M 53 SER CB : -0.476: 0
: 2507:M 50 PRO 1HG :M 53 SER 1HB : -0.412: 0
: 2507:M 19 ILE 1HG1 :M 15 LEU O : -0.651: 0
: 2507:M 109 ILE 2HG1 :M 105 LEU O : -0.638: 0
: 2507:M 19 ILE 3HG2 :M 109 ILE 3HG2 : -0.585: 0
: 2507:M 15 LEU 3HD1 :M 11 GLN O : -0.422: 0
: 2507:M 19 ILE 3HG2 :M 109 ILE CG2 : -0.415: 0
: 2507:M 144 ARG 2HG :M 140 PRO O : -0.646: 0
: 2507:M 22 VAL CG2 :M 112 VAL 1HG2 : -0.607: 0
: 2507:M 18 GLU O :M 22 VAL 3HG2 : -0.427: 0
: 2507:M 112 VAL 1HG2 :M 22 VAL 1HG2 : -0.416: 0
: 2507:M 149 GLU O :M 153 LYS 2HG : -0.604: 0
: 2507:M 127 LEU HG :M 44 LEU 1HD1 : -0.604: 0
: 2507:M 44 LEU HG :M 40 CYS O : -0.524: 0
: 2507:M 127 LEU HG :M 44 LEU CD1 : -0.457: 0
: 2507:M 110 LEU 3HD2 :M 113 LEU 2HD1 : -0.432: 0
: 2507:M 113 LEU 1HD1 :M 127 LEU 1HD2 : -0.403: 0
: 2507:M 113 LEU 2HD1 :M 110 LEU HA : -0.401: 0
: 2507:M 12 VAL 2HG2 :M 122 LEU 1HD1 : -0.588: 0
: 2507:M 16 ILE 1HG1 :M 126 ALA HA : -0.530: 0
: 2507:M 12 VAL O :M 16 ILE 2HG1 : -0.410: 0
: 2507:M 71 SER HA :M 74 GLU 1HB : -0.557: 0
: 2507:M 70 LYS O :M 74 GLU 1HG : -0.457: 0
: 2507:M 107 ALA O :M 111 VAL 3HG2 : -0.547: 0
: 2507:M 115 LYS 1HG :M 111 VAL O : -0.488: 0
: 2507:M 134 LEU HG :M 130 CYS O : -0.537: 0
: 2507:M 59 GLU O :M 63 LYS 2HD : -0.520: 0
: 2507:M 56 ALA O :M 60 GLN 1HG : -0.484: 0
: 2507:M 60 GLN HA :M 63 LYS 1HE : -0.440: 0
: 2507:M 60 GLN HA :M 63 LYS CE : -0.438: 0
: 2507:M 17 ALA O :M 21 VAL 3HG2 : -0.516: 0
: 2507:M 139 VAL HB :M 135 LEU O : -0.489: 0
: 2507:M 139 VAL 2HG1 :M 143 SER 2HB : -0.447: 0
: 2507:M 139 VAL 1HG2 :M 135 LEU 3HD2 : -0.425: 0
: 2507:M 121 ASP O :M 125 MET 2HG : -0.467: 0
: 2507:M 159 VAL 3HG2 :M 155 LEU O : -0.461: 0
: 2507:M 159 VAL 2HG2 :M 42 THR 3HG2 : -0.408: 0
: 2507:M 79 HIS H :M 78 HIS 2HB : -0.454: 0
: 2507:M 39 ASN N :M 39 ASN 2HD2 : -0.436: 0
: 2507:M 106 ILE 2HG1 :M 102 VAL O : -0.415: 0
: 2507:M 49 VAL HB :M 45 LEU O : -0.407: 0
: 2507:M 27 LYS 1HD :M 27 LYS HA : -0.404: 0
#sum2 ::20.34 clashscore : 20.34 clashscore B<40
#summary::2507 atoms:2507 atoms B<40:281896 potential dots:17620.0 A^2:51 bumps:51 bumps B<40:659.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2507:M 19 ILE 3HG2 :M 109 ILE 3HG2 : -0.818: 0
: 2507:M 109 ILE 1HG1 :M 105 LEU O : -0.740: 0
: 2507:M 113 LEU HA :M 15 LEU 1HD1 : -0.629: 0
: 2507:M 19 ILE 2HG1 :M 15 LEU O : -0.613: 0
: 2507:M 19 ILE 2HD1 :M 16 ILE HA : -0.573: 0
: 2507:M 113 LEU 1HD1 :M 127 LEU 1HD2 : -0.549: 0
: 2507:M 19 ILE 3HG2 :M 109 ILE CG2 : -0.525: 0
: 2507:M 127 LEU 3HD2 :M 123 SER O : -0.445: 0
: 2507:M 105 LEU 1HD2 :M 28 ALA 2HB : -0.435: 0
: 2507:M 23 LEU 1HD1 :M 37 LEU 1HD2 : -0.780: 0
: 2507:M 37 LEU 2HB :M 131 VAL 2HG2 : -0.578: 0
: 2507:M 37 LEU O :M 41 VAL 3HG2 : -0.501: 0
: 2507:M 41 VAL HB :M 155 LEU 1HD1 : -0.417: 0
: 2507:M 132 THR 1HG2 :M 68 SER 1HB : -0.678: 0
: 2507:M 73 LEU 1HD1 :M 144 ARG 1HD : -0.613: 0
: 2507:M 139 VAL 1HG2 :M 135 LEU 3HD2 : -0.571: 0
: 2507:M 65 LEU 2HD2 :M 132 THR OG1 : -0.499: 0
: 2507:M 135 LEU HA :M 139 VAL HB : -0.490: 0
: 2507:M 73 LEU 2HD2 :M 145 GLN 2HG : -0.469: 0
: 2507:M 144 ARG 2HG :M 140 PRO O : -0.463: 0
: 2507:M 135 LEU 2HD1 :M 132 THR 3HG2 : -0.455: 0
: 2507:M 145 GLN HA :M 69 VAL 1HG1 : -0.443: 0
: 2507:M 132 THR HA :M 135 LEU 2HD1 : -0.442: 0
: 2507:M 135 LEU CD1 :M 148 ALA 2HB : -0.432: 0
: 2507:M 69 VAL 3HG2 :M 65 LEU O : -0.418: 0
: 2507:M 148 ALA 2HB :M 135 LEU 3HD1 : -0.414: 0
: 2507:M 45 LEU 2HB :M 54 ARG 2HG : -0.662: 0
: 2507:M 46 GLU HA :M 54 ARG CZ : -0.469: 0
: 2507:M 54 ARG 2HD :M 46 GLU 1HG : -0.450: 0
: 2507:M 111 VAL O :M 115 LYS 2HG : -0.646: 0
: 2507:M 112 VAL HA :M 115 LYS 1HE : -0.601: 0
: 2507:M 107 ALA O :M 111 VAL 3HG2 : -0.504: 0
: 2507:M 22 VAL 1HG2 :M 112 VAL CG2 : -0.494: 0
: 2507:M 12 VAL 2HG2 :M 122 LEU 1HD1 : -0.631: 0
: 2507:M 8 SER 1HB :M 11 GLN CB : -0.566: 0
: 2507:M 7 TYR O :M 8 SER 2HB : -0.550: 0
: 2507:M 8 SER 1HB :M 11 GLN 1HB : -0.516: 0
: 2507:M 12 VAL 2HG2 :M 122 LEU CD1 : -0.469: 0
: 2507:M 8 SER O :M 12 VAL 3HG2 : -0.468: 0
: 2507:M 7 TYR CD1 :M 7 TYR N : -0.427: 0
: 2507:M 153 LYS NZ :M 149 GLU 1HG : -0.581: 0
: 2507:M 149 GLU O :M 153 LYS 2HG : -0.561: 0
: 2507:M 149 GLU 1HG :M 153 LYS 1HZ : -0.423: 0
: 2507:M 47 ARG 1HB :M 43 HIS O : -0.567: 0
: 2507:M 44 LEU HG :M 43 HIS ND1 : -0.443: 0
: 2507:M 24 GLU 1HG :M 21 VAL HA : -0.495: 0
: 2507:M 21 VAL O :M 25 LYS 1HB : -0.430: 0
: 2507:M 17 ALA O :M 21 VAL 3HG2 : -0.422: 0
: 2507:M 3 ILE 2HG1 :M 4 GLN H : -0.487: 0
: 2507:M 3 ILE 2HG1 :M 4 GLN N : -0.455: 0
: 2507:M 117 LYS 1HB :M 117 LYS NZ : -0.479: 0
: 2507:M 106 ILE 2HG1 :M 102 VAL O : -0.475: 0
: 2507:M 102 VAL HA :M 32 LEU 1HD1 : -0.419: 0
: 2507:M 29 PRO 1HD :M 32 LEU 2HB : -0.405: 0
: 2507:M 53 SER O :M 57 VAL 3HG2 : -0.472: 0
: 2507:M 95 SER H :M 93 ILE C : -0.418: 0
: 2507:M 77 HIS NE2 :M 74 GLU 2HB : -0.410: 0
: 2507:M 138 LYS 1HD :M 138 LYS HA : -0.401: 0
#sum2 ::23.14 clashscore : 23.14 clashscore B<40
#summary::2507 atoms:2507 atoms B<40:282033 potential dots:17630.0 A^2:58 bumps:58 bumps B<40:633.4 score
Output from PDB validation software
Summary from PDB validation
May. 10, 22:12:46 2013
[ Text modified to reflect that this was run under PSVS - Aneerban Bhattacharya: Dec 2005 ]
The following checks were made on :
-----------------------------------------
CLOSE CONTACTS
==> Distances smaller than 2.2 Angstroms are considered as close contacts
for heavy atoms, 1.6 Angstroms for hydrogens.
Chain Atom Res Seq Chain Atom Res Seq Mol_ID Distance
-------------------------------------------------------------------------
A HA CYS 40 - A HD1 HIS 43 10 Dist = 1.43
B 2HB LEU 45 - B 2HG ARG 54 4 Dist = 1.43
A 2HB ASP 31 - B HH TYR 7 3 Dist = 1.44
A 2HB ALA 62 - B 3HB ALA 62 7 Dist = 1.45
A HH TYR 7 - B 1HB ASP 31 9 Dist = 1.48
A 2HB ALA 62 - B 1HB ALA 62 6 Dist = 1.49
B 1HG GLU 59 - B 1HZ LYS 63 20 Dist = 1.49
A 3HD1 LEU 73 - B 2HB SER 51 5 Dist = 1.49
B 2HB LEU 45 - B 2HG ARG 54 18 Dist = 1.50
B 2HB LEU 45 - B 2HG ARG 54 9 Dist = 1.53
B HD1 HIS 26 - B 3HB ALA 28 6 Dist = 1.53
B 2HB LEU 45 - B 2HG ARG 54 15 Dist = 1.53
A HG LEU 73 - B 2HE2 GLN 55 11 Dist = 1.53
A 3HG2 ILE 19 - B 1HG2 ILE 19 20 Dist = 1.54
A 3HG2 VAL 22 - B 1HG2 VAL 22 6 Dist = 1.54
A OE1 GLU 18 - B HE2 HIS 26 2 Dist = 1.55
A 3HB ALA 2 - A 1HB SER 5 16 Dist = 1.56
A 2HZ LYS 48 - B OE2 GLU 24 3 Dist = 1.56
B 3HD1 LEU 23 - B 1HD2 LEU 37 18 Dist = 1.56
A 2HZ LYS 25 - B OE1 GLU 18 1 Dist = 1.56
A OE2 GLU 18 - B 2HZ LYS 25 7 Dist = 1.56
A 3HG2 ILE 19 - B 3HG2 ILE 19 3 Dist = 1.57
A OE1 GLU 18 - B HE2 HIS 26 5 Dist = 1.57
A OE2 GLU 18 - B HE2 HIS 26 20 Dist = 1.57
A HE2 HIS 26 - B OE1 GLU 18 19 Dist = 1.57
A 2HG2 ILE 19 - B 3HG2 ILE 19 10 Dist = 1.57
A OE2 GLU 18 - B HE2 HIS 26 12 Dist = 1.57
A OE2 GLU 18 - B HE2 HIS 26 3 Dist = 1.58
B 3HD1 LEU 23 - B 1HD2 LEU 37 3 Dist = 1.58
B OE2 GLU 59 - B 3HZ LYS 63 14 Dist = 1.58
A 2HD1 LEU 23 - A 1HD2 LEU 37 3 Dist = 1.58
B OE1 GLU 74 - B HD1 HIS 77 6 Dist = 1.58
A OE1 GLU 59 - A 3HZ LYS 63 14 Dist = 1.58
B OE1 GLU 74 - B HD1 HIS 76 7 Dist = 1.58
A 1HD1 LEU 37 - B HG CYS 40 3 Dist = 1.58
A 2HZ LYS 25 - B OE2 GLU 18 6 Dist = 1.59
A HE2 HIS 26 - B OE1 GLU 18 6 Dist = 1.59
A HD1 HIS 43 - A OE2 GLU 46 2 Dist = 1.59
A 1HD1 LEU 23 - A 1HD2 LEU 37 20 Dist = 1.59
A OE1 GLU 18 - B HE2 HIS 26 11 Dist = 1.59
A OE1 GLU 18 - B 1HZ LYS 25 3 Dist = 1.59
A HD1 HIS 26 - A 1HB ALA 28 1 Dist = 1.59
A 1HZ LYS 70 - B OE2 GLU 59 8 Dist = 1.59
A 1HZ LYS 25 - B OE2 GLU 18 19 Dist = 1.60
B 2HD1 LEU 23 - B 1HD2 LEU 37 13 Dist = 1.60
A OE2 GLU 18 - B 2HZ LYS 25 15 Dist = 1.60
A HE2 HIS 26 - B OE1 GLU 18 11 Dist = 1.60
DISTANCES AND ANGLES
We have checked your intra and intermolecular distances and angles with the
procedures currently in place at PDB:
==> Bond and angle checks are performed by first computing the average rms
error for all bonds and angles relative to standard values for nucleotide
units [L. Clowney et al., Geometric Parameters in Nucleic Acids: Nitrogenous
Bases, J.Am.Chem.Soc. 1996, 118, 509-518; A. Gelbin et al., Geometric
Parameters in Nucleic Acids: Sugar and Phosphate Constituents, J.Am.Chem.Soc.
1996, 118, 519-529] and amino acid units [R.A. Engh and R. Huber, Accurate
Bond and Angle Parameters for X-ray protein structure refinement, Acta
Crystallogr. 1991, A47, 392-400]. Any bond or angle which deviates from the
dictionary values by more than six times this computed rms error is
identified as an outlier.
*** Covalent Bond Lengths:
The RMS deviation for covalent bonds relative to the standard
dictionary is 0.003 Angstroms
The following table contains a list of the covalent bonds
greater than 6.0*RMSD.
Deviation Residue Chain Sequence Model AT1 - AT2 Bond Dictionary
Name ID Number Distance Value
------------------------------------------------------------------------
0.024 TYR B 7 3 N - CA 1.482 1.458
0.025 LEU A 45 14 CA - CB 1.555 1.530
0.022 LEU A 45 14 CB - CG 1.552 1.530
0.021 ILE B 3 18 CA - CB 1.561 1.540
0.023 HIS B 76 18 N - CA 1.481 1.458
*** 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
--------------------------------------------------------------------------------
-4.1 HIS A 79 1 N - CA - C 107.1 111.2
4.4 TYR B 7 3 N - CA - CB 114.9 110.5
4.0 TYR B 7 3 C - N - CA 125.7 121.7
-4.4 HIS A 79 6 N - CA - C 106.8 111.2
-3.5 ILE A 3 9 N - CA - C 107.7 111.2
4.0 TYR A 7 10 C - N - CA 125.7 121.7
3.5 HIS A 43 10 CA - CB - CG 117.3 113.8
-3.8 HIS A 77 12 N - CA - C 107.4 111.2
4.1 HIS A 79 12 C - N - CA 125.8 121.7
3.4 LEU A 45 14 CA - CB - CG 119.7 116.3
-4.0 GLU A 46 17 CB - CA - C 106.1 110.1
-3.4 LYS A 6 18 N - CA - C 107.8 111.2
-3.5 TYR A 7 18 N - CA - C 107.7 111.2
3.5 HIS B 76 18 N - CA - C 114.7 111.2
4.3 HIS B 76 18 C - N - CA 126.0 121.7
TORSION ANGLES
The torsion angle distributions have been checked. The postscript file of the
conformation rings showing the torsion angle distributions will be sent in a
separate E-mail message.
CHIRALITY
The chirality has been checked. O1P, O2P, and hydrogen atoms which do not
follow the convention defined in the IUBMB (Liebecq, C. Compendium of
Biochemical Nomenclature and Related Documents, 2nd ed.; Portland Press:
London and Chapel Hill, 1992) and IUPAC nomenclature (J.L. Markley, A. Bax,
Y. Arata, C.W. Hilbers, R. Kaptein, B.D. Sykes, P.E. Wright and K. Wüthrich,
Recommendations for the Presentation of NMR Structures of Proteins and
Nucleic Acids, Pure & Appl. Chem., Vol. 70, pp. 117-142, 1998) have been
standardized. Any other stereochemical violations are listed below.
E/Z NOMENCLATURE
E/Z nomenclature of hydrogens and/or nitrogens on Arg, Asn or Gln residues needs
to be corrected to conform with the standard for E/Z orientation presented in
[J.L. Markley, et al., Recommendations for the Presentation of NMR Structures of
Proteins and Nucleic Acids, Pure & Appl. Chem., 1998, 70, 117-142].
Model Chain Residue Residue Atom Name Original
Name Number Atom Name
----- ----- ------- ------- -------- ---------
1 A GLN 4 1HE2
1 A GLN 4 2HE2
1 A ASN 9 1HD2
1 A ASN 9 2HD2
1 A GLN 11 1HE2
1 A GLN 11 2HE2
1 A ASN 39 1HD2
1 A ASN 39 2HD2
1 A GLN 55 1HE2
1 A GLN 55 2HE2
1 A GLN 60 1HE2
1 A GLN 60 2HE2
1 A GLN 67 1HE2
1 A GLN 67 2HE2
1 A ASN 72 1HD2
1 A ASN 72 2HD2
1 B GLN 4 1HE2
1 B GLN 4 2HE2
1 B ASN 9 1HD2
1 B ASN 9 2HD2
1 B GLN 11 1HE2
1 B GLN 11 2HE2
1 B ASN 39 1HD2
1 B ASN 39 2HD2
1 B GLN 55 1HE2
1 B GLN 55 2HE2
1 B GLN 60 1HE2
1 B GLN 60 2HE2
1 B GLN 67 1HE2
1 B GLN 67 2HE2
1 B ASN 72 1HD2
1 B ASN 72 2HD2
2 A GLN 4 1HE2
2 A GLN 4 2HE2
2 A ASN 9 1HD2
2 A ASN 9 2HD2
2 A GLN 11 1HE2
2 A GLN 11 2HE2
2 A ASN 39 1HD2
2 A ASN 39 2HD2
2 A GLN 55 1HE2
2 A GLN 55 2HE2
2 A GLN 60 1HE2
2 A GLN 60 2HE2
2 A GLN 67 1HE2
2 A GLN 67 2HE2
2 A ASN 72 1HD2
2 A ASN 72 2HD2
2 B GLN 4 1HE2
2 B GLN 4 2HE2
2 B ASN 9 1HD2
2 B ASN 9 2HD2
2 B GLN 11 1HE2
2 B GLN 11 2HE2
2 B ASN 39 1HD2
2 B ASN 39 2HD2
2 B GLN 55 1HE2
2 B GLN 55 2HE2
2 B GLN 60 1HE2
2 B GLN 60 2HE2
2 B GLN 67 1HE2
2 B GLN 67 2HE2
2 B ASN 72 1HD2
2 B ASN 72 2HD2
3 A GLN 4 1HE2
3 A GLN 4 2HE2
3 A ASN 9 1HD2
3 A ASN 9 2HD2
3 A GLN 11 1HE2
3 A GLN 11 2HE2
3 A ASN 39 1HD2
3 A ASN 39 2HD2
3 A GLN 55 1HE2
3 A GLN 55 2HE2
3 A GLN 60 1HE2
3 A GLN 60 2HE2
3 A GLN 67 1HE2
3 A GLN 67 2HE2
3 A ASN 72 1HD2
3 A ASN 72 2HD2
3 B GLN 4 1HE2
3 B GLN 4 2HE2
3 B ASN 9 1HD2
3 B ASN 9 2HD2
3 B GLN 11 1HE2
3 B GLN 11 2HE2
3 B ASN 39 1HD2
3 B ASN 39 2HD2
3 B GLN 55 1HE2
3 B GLN 55 2HE2
3 B GLN 60 1HE2
3 B GLN 60 2HE2
3 B GLN 67 1HE2
3 B GLN 67 2HE2
3 B ASN 72 1HD2
3 B ASN 72 2HD2
4 A GLN 4 1HE2
4 A GLN 4 2HE2
4 A ASN 9 1HD2
4 A ASN 9 2HD2
4 A GLN 11 1HE2
4 A GLN 11 2HE2
4 A ASN 39 1HD2
4 A ASN 39 2HD2
4 A GLN 55 1HE2
4 A GLN 55 2HE2
4 A GLN 60 1HE2
4 A GLN 60 2HE2
4 A GLN 67 1HE2
4 A GLN 67 2HE2
4 A ASN 72 1HD2
4 A ASN 72 2HD2
4 B GLN 4 1HE2
4 B GLN 4 2HE2
4 B ASN 9 1HD2
4 B ASN 9 2HD2
4 B GLN 11 1HE2
4 B GLN 11 2HE2
4 B ASN 39 1HD2
4 B ASN 39 2HD2
4 B GLN 55 1HE2
4 B GLN 55 2HE2
4 B GLN 60 1HE2
4 B GLN 60 2HE2
4 B GLN 67 1HE2
4 B GLN 67 2HE2
4 B ASN 72 1HD2
4 B ASN 72 2HD2
5 A GLN 4 1HE2
5 A GLN 4 2HE2
5 A ASN 9 1HD2
5 A ASN 9 2HD2
5 A GLN 11 1HE2
5 A GLN 11 2HE2
5 A ASN 39 1HD2
5 A ASN 39 2HD2
5 A GLN 55 1HE2
5 A GLN 55 2HE2
5 A GLN 60 1HE2
5 A GLN 60 2HE2
5 A GLN 67 1HE2
5 A GLN 67 2HE2
5 A ASN 72 1HD2
5 A ASN 72 2HD2
5 B GLN 4 1HE2
5 B GLN 4 2HE2
5 B ASN 9 1HD2
5 B ASN 9 2HD2
5 B GLN 11 1HE2
5 B GLN 11 2HE2
5 B ASN 39 1HD2
5 B ASN 39 2HD2
5 B GLN 55 1HE2
5 B GLN 55 2HE2
5 B GLN 60 1HE2
5 B GLN 60 2HE2
5 B GLN 67 1HE2
5 B GLN 67 2HE2
5 B ASN 72 1HD2
5 B ASN 72 2HD2
6 A GLN 4 1HE2
6 A GLN 4 2HE2
6 A ASN 9 1HD2
6 A ASN 9 2HD2
6 A GLN 11 1HE2
6 A GLN 11 2HE2
6 A ASN 39 1HD2
6 A ASN 39 2HD2
6 A GLN 55 1HE2
6 A GLN 55 2HE2
6 A GLN 60 1HE2
6 A GLN 60 2HE2
6 A GLN 67 1HE2
6 A GLN 67 2HE2
6 A ASN 72 1HD2
6 A ASN 72 2HD2
6 B GLN 4 1HE2
6 B GLN 4 2HE2
6 B ASN 9 1HD2
6 B ASN 9 2HD2
6 B GLN 11 1HE2
6 B GLN 11 2HE2
6 B ASN 39 1HD2
6 B ASN 39 2HD2
6 B GLN 55 1HE2
6 B GLN 55 2HE2
6 B GLN 60 1HE2
6 B GLN 60 2HE2
6 B GLN 67 1HE2
6 B GLN 67 2HE2
6 B ASN 72 1HD2
6 B ASN 72 2HD2
7 A GLN 4 1HE2
7 A GLN 4 2HE2
7 A ASN 9 1HD2
7 A ASN 9 2HD2
7 A GLN 11 1HE2
7 A GLN 11 2HE2
7 A ASN 39 1HD2
7 A ASN 39 2HD2
7 A GLN 55 1HE2
7 A GLN 55 2HE2
7 A GLN 60 1HE2
7 A GLN 60 2HE2
7 A GLN 67 1HE2
7 A GLN 67 2HE2
7 A ASN 72 1HD2
7 A ASN 72 2HD2
7 B GLN 4 1HE2
7 B GLN 4 2HE2
7 B ASN 9 1HD2
7 B ASN 9 2HD2
7 B GLN 11 1HE2
7 B GLN 11 2HE2
7 B ASN 39 1HD2
7 B ASN 39 2HD2
7 B GLN 55 1HE2
7 B GLN 55 2HE2
7 B GLN 60 1HE2
7 B GLN 60 2HE2
7 B GLN 67 1HE2
7 B GLN 67 2HE2
7 B ASN 72 1HD2
7 B ASN 72 2HD2
8 A GLN 4 1HE2
8 A GLN 4 2HE2
8 A ASN 9 1HD2
8 A ASN 9 2HD2
8 A GLN 11 1HE2
8 A GLN 11 2HE2
8 A ASN 39 1HD2
8 A ASN 39 2HD2
8 A GLN 55 1HE2
8 A GLN 55 2HE2
8 A GLN 60 1HE2
8 A GLN 60 2HE2
8 A GLN 67 1HE2
8 A GLN 67 2HE2
8 A ASN 72 1HD2
8 A ASN 72 2HD2
8 B GLN 4 1HE2
8 B GLN 4 2HE2
8 B ASN 9 1HD2
8 B ASN 9 2HD2
8 B GLN 11 1HE2
8 B GLN 11 2HE2
8 B ASN 39 1HD2
8 B ASN 39 2HD2
8 B GLN 55 1HE2
8 B GLN 55 2HE2
8 B GLN 60 1HE2
8 B GLN 60 2HE2
8 B GLN 67 1HE2
8 B GLN 67 2HE2
8 B ASN 72 1HD2
8 B ASN 72 2HD2
9 A GLN 4 1HE2
9 A GLN 4 2HE2
9 A ASN 9 1HD2
9 A ASN 9 2HD2
9 A GLN 11 1HE2
9 A GLN 11 2HE2
9 A ASN 39 1HD2
9 A ASN 39 2HD2
9 A GLN 55 1HE2
9 A GLN 55 2HE2
9 A GLN 60 1HE2
9 A GLN 60 2HE2
9 A GLN 67 1HE2
9 A GLN 67 2HE2
9 A ASN 72 1HD2
9 A ASN 72 2HD2
9 B GLN 4 1HE2
9 B GLN 4 2HE2
9 B ASN 9 1HD2
9 B ASN 9 2HD2
9 B GLN 11 1HE2
9 B GLN 11 2HE2
9 B ASN 39 1HD2
9 B ASN 39 2HD2
9 B GLN 55 1HE2
9 B GLN 55 2HE2
9 B GLN 60 1HE2
9 B GLN 60 2HE2
9 B GLN 67 1HE2
9 B GLN 67 2HE2
9 B ASN 72 1HD2
9 B ASN 72 2HD2
10 A GLN 4 1HE2
10 A GLN 4 2HE2
10 A ASN 9 1HD2
10 A ASN 9 2HD2
10 A GLN 11 1HE2
10 A GLN 11 2HE2
10 A ASN 39 1HD2
10 A ASN 39 2HD2
10 A GLN 55 1HE2
10 A GLN 55 2HE2
10 A GLN 60 1HE2
10 A GLN 60 2HE2
10 A GLN 67 1HE2
10 A GLN 67 2HE2
10 A ASN 72 1HD2
10 A ASN 72 2HD2
10 B GLN 4 1HE2
10 B GLN 4 2HE2
10 B ASN 9 1HD2
10 B ASN 9 2HD2
10 B GLN 11 1HE2
10 B GLN 11 2HE2
10 B ASN 39 1HD2
10 B ASN 39 2HD2
10 B GLN 55 1HE2
10 B GLN 55 2HE2
10 B GLN 60 1HE2
10 B GLN 60 2HE2
10 B GLN 67 1HE2
10 B GLN 67 2HE2
10 B ASN 72 1HD2
10 B ASN 72 2HD2
11 A GLN 4 1HE2
11 A GLN 4 2HE2
11 A ASN 9 1HD2
11 A ASN 9 2HD2
11 A GLN 11 1HE2
11 A GLN 11 2HE2
11 A ASN 39 1HD2
11 A ASN 39 2HD2
11 A GLN 55 1HE2
11 A GLN 55 2HE2
11 A GLN 60 1HE2
11 A GLN 60 2HE2
11 A GLN 67 1HE2
11 A GLN 67 2HE2
11 A ASN 72 1HD2
11 A ASN 72 2HD2
11 B GLN 4 1HE2
11 B GLN 4 2HE2
11 B ASN 9 1HD2
11 B ASN 9 2HD2
11 B GLN 11 1HE2
11 B GLN 11 2HE2
11 B ASN 39 1HD2
11 B ASN 39 2HD2
11 B GLN 55 1HE2
11 B GLN 55 2HE2
11 B GLN 60 1HE2
11 B GLN 60 2HE2
11 B GLN 67 1HE2
11 B GLN 67 2HE2
11 B ASN 72 1HD2
11 B ASN 72 2HD2
12 A GLN 4 1HE2
12 A GLN 4 2HE2
12 A ASN 9 1HD2
12 A ASN 9 2HD2
12 A GLN 11 1HE2
12 A GLN 11 2HE2
12 A ASN 39 1HD2
12 A ASN 39 2HD2
12 A GLN 55 1HE2
12 A GLN 55 2HE2
12 A GLN 60 1HE2
12 A GLN 60 2HE2
12 A GLN 67 1HE2
12 A GLN 67 2HE2
12 A ASN 72 1HD2
12 A ASN 72 2HD2
12 B GLN 4 1HE2
12 B GLN 4 2HE2
12 B ASN 9 1HD2
12 B ASN 9 2HD2
12 B GLN 11 1HE2
12 B GLN 11 2HE2
12 B ASN 39 1HD2
12 B ASN 39 2HD2
12 B GLN 55 1HE2
12 B GLN 55 2HE2
12 B GLN 60 1HE2
12 B GLN 60 2HE2
12 B GLN 67 1HE2
12 B GLN 67 2HE2
12 B ASN 72 1HD2
12 B ASN 72 2HD2
13 A GLN 4 1HE2
13 A GLN 4 2HE2
13 A ASN 9 1HD2
13 A ASN 9 2HD2
13 A GLN 11 1HE2
13 A GLN 11 2HE2
13 A ASN 39 1HD2
13 A ASN 39 2HD2
13 A GLN 55 1HE2
13 A GLN 55 2HE2
13 A GLN 60 1HE2
13 A GLN 60 2HE2
13 A GLN 67 1HE2
13 A GLN 67 2HE2
13 A ASN 72 1HD2
13 A ASN 72 2HD2
13 B GLN 4 1HE2
13 B GLN 4 2HE2
13 B ASN 9 1HD2
13 B ASN 9 2HD2
13 B GLN 11 1HE2
13 B GLN 11 2HE2
13 B ASN 39 1HD2
13 B ASN 39 2HD2
13 B GLN 55 1HE2
13 B GLN 55 2HE2
13 B GLN 60 1HE2
13 B GLN 60 2HE2
13 B GLN 67 1HE2
13 B GLN 67 2HE2
13 B ASN 72 1HD2
13 B ASN 72 2HD2
14 A GLN 4 1HE2
14 A GLN 4 2HE2
14 A ASN 9 1HD2
14 A ASN 9 2HD2
14 A GLN 11 1HE2
14 A GLN 11 2HE2
14 A ASN 39 1HD2
14 A ASN 39 2HD2
14 A GLN 55 1HE2
14 A GLN 55 2HE2
14 A GLN 60 1HE2
14 A GLN 60 2HE2
14 A GLN 67 1HE2
14 A GLN 67 2HE2
14 A ASN 72 1HD2
14 A ASN 72 2HD2
14 B GLN 4 1HE2
14 B GLN 4 2HE2
14 B ASN 9 1HD2
14 B ASN 9 2HD2
14 B GLN 11 1HE2
14 B GLN 11 2HE2
14 B ASN 39 1HD2
14 B ASN 39 2HD2
14 B GLN 55 1HE2
14 B GLN 55 2HE2
14 B GLN 60 1HE2
14 B GLN 60 2HE2
14 B GLN 67 1HE2
14 B GLN 67 2HE2
14 B ASN 72 1HD2
14 B ASN 72 2HD2
15 A GLN 4 1HE2
15 A GLN 4 2HE2
15 A ASN 9 1HD2
15 A ASN 9 2HD2
15 A GLN 11 1HE2
15 A GLN 11 2HE2
15 A ASN 39 1HD2
15 A ASN 39 2HD2
15 A GLN 55 1HE2
15 A GLN 55 2HE2
15 A GLN 60 1HE2
15 A GLN 60 2HE2
15 A GLN 67 1HE2
15 A GLN 67 2HE2
15 A ASN 72 1HD2
15 A ASN 72 2HD2
15 B GLN 4 1HE2
15 B GLN 4 2HE2
15 B ASN 9 1HD2
15 B ASN 9 2HD2
15 B GLN 11 1HE2
15 B GLN 11 2HE2
15 B ASN 39 1HD2
15 B ASN 39 2HD2
15 B GLN 55 1HE2
15 B GLN 55 2HE2
15 B GLN 60 1HE2
15 B GLN 60 2HE2
15 B GLN 67 1HE2
15 B GLN 67 2HE2
15 B ASN 72 1HD2
15 B ASN 72 2HD2
16 A GLN 4 1HE2
16 A GLN 4 2HE2
16 A ASN 9 1HD2
16 A ASN 9 2HD2
16 A GLN 11 1HE2
16 A GLN 11 2HE2
16 A ASN 39 1HD2
16 A ASN 39 2HD2
16 A GLN 55 1HE2
16 A GLN 55 2HE2
16 A GLN 60 1HE2
16 A GLN 60 2HE2
16 A GLN 67 1HE2
16 A GLN 67 2HE2
16 A ASN 72 1HD2
16 A ASN 72 2HD2
16 B GLN 4 1HE2
16 B GLN 4 2HE2
16 B ASN 9 1HD2
16 B ASN 9 2HD2
16 B GLN 11 1HE2
16 B GLN 11 2HE2
16 B ASN 39 1HD2
16 B ASN 39 2HD2
16 B GLN 55 1HE2
16 B GLN 55 2HE2
16 B GLN 60 1HE2
16 B GLN 60 2HE2
16 B GLN 67 1HE2
16 B GLN 67 2HE2
16 B ASN 72 1HD2
16 B ASN 72 2HD2
17 A GLN 4 1HE2
17 A GLN 4 2HE2
17 A ASN 9 1HD2
17 A ASN 9 2HD2
17 A GLN 11 1HE2
17 A GLN 11 2HE2
17 A ASN 39 1HD2
17 A ASN 39 2HD2
17 A GLN 55 1HE2
17 A GLN 55 2HE2
17 A GLN 60 1HE2
17 A GLN 60 2HE2
17 A GLN 67 1HE2
17 A GLN 67 2HE2
17 A ASN 72 1HD2
17 A ASN 72 2HD2
17 B GLN 4 1HE2
17 B GLN 4 2HE2
17 B ASN 9 1HD2
17 B ASN 9 2HD2
17 B GLN 11 1HE2
17 B GLN 11 2HE2
17 B ASN 39 1HD2
17 B ASN 39 2HD2
17 B GLN 55 1HE2
17 B GLN 55 2HE2
17 B GLN 60 1HE2
17 B GLN 60 2HE2
17 B GLN 67 1HE2
17 B GLN 67 2HE2
17 B ASN 72 1HD2
17 B ASN 72 2HD2
18 A GLN 4 1HE2
18 A GLN 4 2HE2
18 A ASN 9 1HD2
18 A ASN 9 2HD2
18 A GLN 11 1HE2
18 A GLN 11 2HE2
18 A ASN 39 1HD2
18 A ASN 39 2HD2
18 A GLN 55 1HE2
18 A GLN 55 2HE2
18 A GLN 60 1HE2
18 A GLN 60 2HE2
18 A GLN 67 1HE2
18 A GLN 67 2HE2
18 A ASN 72 1HD2
18 A ASN 72 2HD2
18 B GLN 4 1HE2
18 B GLN 4 2HE2
18 B ASN 9 1HD2
18 B ASN 9 2HD2
18 B GLN 11 1HE2
18 B GLN 11 2HE2
18 B ASN 39 1HD2
18 B ASN 39 2HD2
18 B GLN 55 1HE2
18 B GLN 55 2HE2
18 B GLN 60 1HE2
18 B GLN 60 2HE2
18 B GLN 67 1HE2
18 B GLN 67 2HE2
18 B ASN 72 1HD2
18 B ASN 72 2HD2
19 A GLN 4 1HE2
19 A GLN 4 2HE2
19 A ASN 9 1HD2
19 A ASN 9 2HD2
19 A GLN 11 1HE2
19 A GLN 11 2HE2
19 A ASN 39 1HD2
19 A ASN 39 2HD2
19 A GLN 55 1HE2
19 A GLN 55 2HE2
19 A GLN 60 1HE2
19 A GLN 60 2HE2
19 A GLN 67 1HE2
19 A GLN 67 2HE2
19 A ASN 72 1HD2
19 A ASN 72 2HD2
19 B GLN 4 1HE2
19 B GLN 4 2HE2
19 B ASN 9 1HD2
19 B ASN 9 2HD2
19 B GLN 11 1HE2
19 B GLN 11 2HE2
19 B ASN 39 1HD2
19 B ASN 39 2HD2
19 B GLN 55 1HE2
19 B GLN 55 2HE2
19 B GLN 60 1HE2
19 B GLN 60 2HE2
19 B GLN 67 1HE2
19 B GLN 67 2HE2
19 B ASN 72 1HD2
19 B ASN 72 2HD2
20 A GLN 4 1HE2
20 A GLN 4 2HE2
20 A ASN 9 1HD2
20 A ASN 9 2HD2
20 A GLN 11 1HE2
20 A GLN 11 2HE2
20 A ASN 39 1HD2
20 A ASN 39 2HD2
20 A GLN 55 1HE2
20 A GLN 55 2HE2
20 A GLN 60 1HE2
20 A GLN 60 2HE2
20 A GLN 67 1HE2
20 A GLN 67 2HE2
20 A ASN 72 1HD2
20 A ASN 72 2HD2
20 B GLN 4 1HE2
20 B GLN 4 2HE2
20 B ASN 9 1HD2
20 B ASN 9 2HD2
20 B GLN 11 1HE2
20 B GLN 11 2HE2
20 B ASN 39 1HD2
20 B ASN 39 2HD2
20 B GLN 55 1HE2
20 B GLN 55 2HE2
20 B GLN 60 1HE2
20 B GLN 60 2HE2
20 B GLN 67 1HE2
20 B GLN 67 2HE2
20 B ASN 72 1HD2
20 B ASN 72 2HD2
OTHER IMPORTANT ISSUES
==> The following residues have missing atoms:
RES MOD#C SEQ ATOMS
GLU( 1 A 13) HE2
GLU( 1 A 18) HE2
GLU( 1 A 24) HE2
ASP( 1 A 31) HD2
GLU( 1 A 46) HE2
GLU( 1 A 52) HE2
GLU( 1 A 59) HE2
GLU( 1 A 74) HE2
GLU( 1 B 13) HE2
GLU( 1 B 18) HE2
GLU( 1 B 24) HE2
ASP( 1 B 31) HD2
GLU( 1 B 46) HE2
GLU( 1 B 52) HE2
GLU( 1 B 59) HE2
GLU( 1 B 74) HE2
GLU( 2 A 13) HE2
GLU( 2 A 18) HE2
GLU( 2 A 24) HE2
ASP( 2 A 31) HD2
GLU( 2 A 46) HE2
GLU( 2 A 52) HE2
GLU( 2 A 59) HE2
GLU( 2 A 74) HE2
GLU( 2 B 13) HE2
GLU( 2 B 18) HE2
GLU( 2 B 24) HE2
ASP( 2 B 31) HD2
GLU( 2 B 46) HE2
GLU( 2 B 52) HE2
GLU( 2 B 59) HE2
GLU( 2 B 74) HE2
GLU( 3 A 13) HE2
GLU( 3 A 18) HE2
GLU( 3 A 24) HE2
ASP( 3 A 31) HD2
GLU( 3 A 46) HE2
GLU( 3 A 52) HE2
GLU( 3 A 59) HE2
GLU( 3 A 74) HE2
GLU( 3 B 13) HE2
GLU( 3 B 18) HE2
GLU( 3 B 24) HE2
ASP( 3 B 31) HD2
GLU( 3 B 46) HE2
GLU( 3 B 52) HE2
GLU( 3 B 59) HE2
GLU( 3 B 74) HE2
GLU( 4 A 13) HE2
GLU( 4 A 18) HE2
GLU( 4 A 24) HE2
ASP( 4 A 31) HD2
GLU( 4 A 46) HE2
GLU( 4 A 52) HE2
GLU( 4 A 59) HE2
GLU( 4 A 74) HE2
GLU( 4 B 13) HE2
GLU( 4 B 18) HE2
GLU( 4 B 24) HE2
ASP( 4 B 31) HD2
GLU( 4 B 46) HE2
GLU( 4 B 52) HE2
GLU( 4 B 59) HE2
GLU( 4 B 74) HE2
GLU( 5 A 13) HE2
GLU( 5 A 18) HE2
GLU( 5 A 24) HE2
ASP( 5 A 31) HD2
GLU( 5 A 46) HE2
GLU( 5 A 52) HE2
GLU( 5 A 59) HE2
GLU( 5 A 74) HE2
GLU( 5 B 13) HE2
GLU( 5 B 18) HE2
GLU( 5 B 24) HE2
ASP( 5 B 31) HD2
GLU( 5 B 46) HE2
GLU( 5 B 52) HE2
GLU( 5 B 59) HE2
GLU( 5 B 74) HE2
GLU( 6 A 13) HE2
GLU( 6 A 18) HE2
GLU( 6 A 24) HE2
ASP( 6 A 31) HD2
GLU( 6 A 46) HE2
GLU( 6 A 52) HE2
GLU( 6 A 59) HE2
GLU( 6 A 74) HE2
GLU( 6 B 13) HE2
GLU( 6 B 18) HE2
GLU( 6 B 24) HE2
ASP( 6 B 31) HD2
GLU( 6 B 46) HE2
GLU( 6 B 52) HE2
GLU( 6 B 59) HE2
GLU( 6 B 74) HE2
GLU( 7 A 13) HE2
GLU( 7 A 18) HE2
GLU( 7 A 24) HE2
ASP( 7 A 31) HD2
GLU( 7 A 46) HE2
GLU( 7 A 52) HE2
GLU( 7 A 59) HE2
GLU( 7 A 74) HE2
GLU( 7 B 13) HE2
GLU( 7 B 18) HE2
GLU( 7 B 24) HE2
ASP( 7 B 31) HD2
GLU( 7 B 46) HE2
GLU( 7 B 52) HE2
GLU( 7 B 59) HE2
GLU( 7 B 74) HE2
GLU( 8 A 13) HE2
GLU( 8 A 18) HE2
GLU( 8 A 24) HE2
ASP( 8 A 31) HD2
GLU( 8 A 46) HE2
GLU( 8 A 52) HE2
GLU( 8 A 59) HE2
GLU( 8 A 74) HE2
GLU( 8 B 13) HE2
GLU( 8 B 18) HE2
GLU( 8 B 24) HE2
ASP( 8 B 31) HD2
GLU( 8 B 46) HE2
GLU( 8 B 52) HE2
GLU( 8 B 59) HE2
GLU( 8 B 74) HE2
GLU( 9 A 13) HE2
GLU( 9 A 18) HE2
GLU( 9 A 24) HE2
ASP( 9 A 31) HD2
GLU( 9 A 46) HE2
GLU( 9 A 52) HE2
GLU( 9 A 59) HE2
GLU( 9 A 74) HE2
GLU( 9 B 13) HE2
GLU( 9 B 18) HE2
GLU( 9 B 24) HE2
ASP( 9 B 31) HD2
GLU( 9 B 46) HE2
GLU( 9 B 52) HE2
GLU( 9 B 59) HE2
GLU( 9 B 74) HE2
GLU( 10 A 13) HE2
GLU( 10 A 18) HE2
GLU( 10 A 24) HE2
ASP( 10 A 31) HD2
GLU( 10 A 46) HE2
GLU( 10 A 52) HE2
GLU( 10 A 59) HE2
GLU( 10 A 74) HE2
GLU( 10 B 13) HE2
GLU( 10 B 18) HE2
GLU( 10 B 24) HE2
ASP( 10 B 31) HD2
GLU( 10 B 46) HE2
GLU( 10 B 52) HE2
GLU( 10 B 59) HE2
GLU( 10 B 74) HE2
GLU( 11 A 13) HE2
GLU( 11 A 18) HE2
GLU( 11 A 24) HE2
ASP( 11 A 31) HD2
GLU( 11 A 46) HE2
GLU( 11 A 52) HE2
GLU( 11 A 59) HE2
GLU( 11 A 74) HE2
GLU( 11 B 13) HE2
GLU( 11 B 18) HE2
GLU( 11 B 24) HE2
ASP( 11 B 31) HD2
GLU( 11 B 46) HE2
GLU( 11 B 52) HE2
GLU( 11 B 59) HE2
GLU( 11 B 74) HE2
GLU( 12 A 13) HE2
GLU( 12 A 18) HE2
GLU( 12 A 24) HE2
ASP( 12 A 31) HD2
GLU( 12 A 46) HE2
GLU( 12 A 52) HE2
GLU( 12 A 59) HE2
GLU( 12 A 74) HE2
GLU( 12 B 13) HE2
GLU( 12 B 18) HE2
GLU( 12 B 24) HE2
ASP( 12 B 31) HD2
GLU( 12 B 46) HE2
GLU( 12 B 52) HE2
GLU( 12 B 59) HE2
GLU( 12 B 74) HE2
GLU( 13 A 13) HE2
GLU( 13 A 18) HE2
GLU( 13 A 24) HE2
ASP( 13 A 31) HD2
GLU( 13 A 46) HE2
GLU( 13 A 52) HE2
GLU( 13 A 59) HE2
GLU( 13 A 74) HE2
GLU( 13 B 13) HE2
GLU( 13 B 18) HE2
GLU( 13 B 24) HE2
ASP( 13 B 31) HD2
GLU( 13 B 46) HE2
GLU( 13 B 52) HE2
GLU( 13 B 59) HE2
GLU( 13 B 74) HE2
GLU( 14 A 13) HE2
GLU( 14 A 18) HE2
GLU( 14 A 24) HE2
ASP( 14 A 31) HD2
GLU( 14 A 46) HE2
GLU( 14 A 52) HE2
GLU( 14 A 59) HE2
GLU( 14 A 74) HE2
GLU( 14 B 13) HE2
GLU( 14 B 18) HE2
GLU( 14 B 24) HE2
ASP( 14 B 31) HD2
GLU( 14 B 46) HE2
GLU( 14 B 52) HE2
GLU( 14 B 59) HE2
GLU( 14 B 74) HE2
GLU( 15 A 13) HE2
GLU( 15 A 18) HE2
GLU( 15 A 24) HE2
ASP( 15 A 31) HD2
GLU( 15 A 46) HE2
GLU( 15 A 52) HE2
GLU( 15 A 59) HE2
GLU( 15 A 74) HE2
GLU( 15 B 13) HE2
GLU( 15 B 18) HE2
GLU( 15 B 24) HE2
ASP( 15 B 31) HD2
GLU( 15 B 46) HE2
GLU( 15 B 52) HE2
GLU( 15 B 59) HE2
GLU( 15 B 74) HE2
GLU( 16 A 13) HE2
GLU( 16 A 18) HE2
GLU( 16 A 24) HE2
ASP( 16 A 31) HD2
GLU( 16 A 46) HE2
GLU( 16 A 52) HE2
GLU( 16 A 59) HE2
GLU( 16 A 74) HE2
GLU( 16 B 13) HE2
GLU( 16 B 18) HE2
GLU( 16 B 24) HE2
ASP( 16 B 31) HD2
GLU( 16 B 46) HE2
GLU( 16 B 52) HE2
GLU( 16 B 59) HE2
GLU( 16 B 74) HE2
GLU( 17 A 13) HE2
GLU( 17 A 18) HE2
GLU( 17 A 24) HE2
ASP( 17 A 31) HD2
GLU( 17 A 46) HE2
GLU( 17 A 52) HE2
GLU( 17 A 59) HE2
GLU( 17 A 74) HE2
GLU( 17 B 13) HE2
GLU( 17 B 18) HE2
GLU( 17 B 24) HE2
ASP( 17 B 31) HD2
GLU( 17 B 46) HE2
GLU( 17 B 52) HE2
GLU( 17 B 59) HE2
GLU( 17 B 74) HE2
GLU( 18 A 13) HE2
GLU( 18 A 18) HE2
GLU( 18 A 24) HE2
ASP( 18 A 31) HD2
GLU( 18 A 46) HE2
GLU( 18 A 52) HE2
GLU( 18 A 59) HE2
GLU( 18 A 74) HE2
GLU( 18 B 13) HE2
GLU( 18 B 18) HE2
GLU( 18 B 24) HE2
ASP( 18 B 31) HD2
GLU( 18 B 46) HE2
GLU( 18 B 52) HE2
GLU( 18 B 59) HE2
GLU( 18 B 74) HE2
GLU( 19 A 13) HE2
GLU( 19 A 18) HE2
GLU( 19 A 24) HE2
ASP( 19 A 31) HD2
GLU( 19 A 46) HE2
GLU( 19 A 52) HE2
GLU( 19 A 59) HE2
GLU( 19 A 74) HE2
GLU( 19 B 13) HE2
GLU( 19 B 18) HE2
GLU( 19 B 24) HE2
ASP( 19 B 31) HD2
GLU( 19 B 46) HE2
GLU( 19 B 52) HE2
GLU( 19 B 59) HE2
GLU( 19 B 74) HE2
GLU( 20 A 13) HE2
GLU( 20 A 18) HE2
GLU( 20 A 24) HE2
ASP( 20 A 31) HD2
GLU( 20 A 46) HE2
GLU( 20 A 52) HE2
GLU( 20 A 59) HE2
GLU( 20 A 74) HE2
GLU( 20 B 13) HE2
GLU( 20 B 18) HE2
GLU( 20 B 24) HE2
ASP( 20 B 31) HD2
GLU( 20 B 46) HE2
GLU( 20 B 52) HE2
GLU( 20 B 59) HE2
GLU( 20 B 74) HE2
==> The following residues have extra atoms:
RES MOD#C SEQ ATOMS
HIS( 1 A 80) O2
HIS( 1 B 80) O2
HIS( 2 A 80) O2
HIS( 2 B 80) O2
HIS( 3 A 80) O2
HIS( 3 B 80) O2
HIS( 4 A 80) O2
HIS( 4 B 80) O2
HIS( 5 A 80) O2
HIS( 5 B 80) O2
HIS( 6 A 80) O2
HIS( 6 B 80) O2
HIS( 7 A 80) O2
HIS( 7 B 80) O2
HIS( 8 A 80) O2
HIS( 8 B 80) O2
HIS( 9 A 80) O2
HIS( 9 B 80) O2
HIS( 10 A 80) O2
HIS( 10 B 80) O2
HIS( 11 A 80) O2
HIS( 11 B 80) O2
HIS( 12 A 80) O2
HIS( 12 B 80) O2
HIS( 13 A 80) O2
HIS( 13 B 80) O2
HIS( 14 A 80) O2
HIS( 14 B 80) O2
HIS( 15 A 80) O2
HIS( 15 B 80) O2
HIS( 16 A 80) O2
HIS( 16 B 80) O2
HIS( 17 A 80) O2
HIS( 17 B 80) O2
HIS( 18 A 80) O2
HIS( 18 B 80) O2
HIS( 19 A 80) O2
HIS( 19 B 80) O2
HIS( 20 A 80) O2
HIS( 20 B 80) O2