Detailed results of CSR4_NMR_em_bcr3 by PSVS
Output from PDBStat
Constraints analysis
table of NOE constraints
# -------------- SUMMARY OF RESTRAINTS ---------------
# TOTAL NUMBER OF NOE RESTRAINTS : 1384
# INTRA-RESIDUE RESTRAINTS (I=J) : 0
# SEQUENTIAL RESTRAINTS (I-J)=1 : 220
# BACKBONE-BACKBONE : 92
# BACKBONE-SIDE CHAIN : 72
# SIDE CHAIN-SIDE CHAIN : 56
# MEDIUM RANGE RESTRAINTS 1<(I-J)<5 : 774
# BACKBONE-BACKBONE : 296
# BACKBONE-SIDE CHAIN : 200
# SIDE CHAIN-SIDE CHAIN : 278
# LONG RANGE RESTRAINTS (I-J)>=5 : 390
# TOTAL HYDROGEN BOND RESTRAINTS : 0
# LONG RANGE H-BOND RESTR. (I-J)>=5 : 0
# DISULFIDE RESTRAINTS : 0
# INTRA-CHAIN RESTRAINTS : 1018
# INTER-CHAIN RESTRAINTS : 366
# AMBIGUOUS RESTRAINTS : 0
# -----------------------------------------------------
# -----------------------------------------------------
# -----------------------------------------------------
# RES # INTRA INTER seq med lng InterChain
MET 1 0 0.0 0.0 0.0 0.0 0.0
PRO 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
VAL 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 0.0 0.0 0.0 0.0 0.0
TYR 7 0 10.0 0.5 1.5 8.0 5.5
SER 8 0 6.0 1.0 5.0 0.0 0.0
ASN 9 0 4.0 1.0 3.0 0.0 0.0
GLU 10 0 4.0 1.0 3.0 0.0 0.0
ARG 11 0 10.5 0.5 9.5 0.5 0.5
VAL 12 0 14.0 1.0 5.5 7.5 5.0
GLU 13 0 8.0 1.5 6.5 0.0 0.0
LYS 14 0 7.0 1.5 5.5 0.0 0.0
ILE 15 0 19.0 1.0 10.0 8.0 8.0
ILE 16 0 15.0 0.0 6.5 8.5 8.5
GLN 17 0 6.0 0.5 5.5 0.0 0.0
ASP 18 0 10.5 1.0 9.5 0.0 2.5
LEU 19 0 13.0 1.0 10.0 2.0 7.0
LEU 20 0 13.5 1.5 6.5 5.5 5.5
ASP 21 0 11.0 3.0 8.0 0.0 0.0
VAL 22 0 15.5 4.0 10.5 1.0 6.5
LEU 23 0 13.5 2.5 6.0 5.0 4.0
VAL 24 0 6.0 1.0 5.0 0.0 0.0
LYS 25 0 6.5 1.5 5.0 0.0 0.0
GLU 26 0 9.5 2.0 5.0 2.5 2.5
GLU 27 0 3.5 1.5 2.0 0.0 0.0
VAL 28 0 10.5 1.0 6.0 3.5 1.5
THR 29 0 9.0 4.0 4.0 1.0 1.0
PRO 30 0 9.5 3.5 3.0 3.0 3.0
ASP 31 0 4.5 1.0 3.5 0.0 0.0
LEU 32 0 23.0 2.0 13.0 8.0 8.0
ALA 33 0 14.5 2.5 5.5 6.5 3.5
LEU 34 0 13.0 2.5 3.0 7.5 7.5
MET 35 0 14.0 2.0 9.0 3.0 3.0
CYS 36 0 12.5 1.5 5.0 6.0 6.0
LEU 37 0 9.0 0.5 8.5 0.0 2.5
GLY 38 0 10.0 1.0 5.0 4.0 4.5
ASN 39 0 15.0 2.5 8.5 4.0 4.0
ALA 40 0 13.0 3.0 5.5 4.5 5.5
VAL 41 0 23.5 2.5 12.5 8.5 8.0
THR 42 0 9.0 2.0 3.5 3.5 3.5
ASN 43 0 6.5 1.0 3.5 2.0 2.0
ILE 44 0 17.5 0.5 7.5 9.5 9.5
ILE 45 0 24.5 2.0 6.5 16.0 5.0
ALA 46 0 8.5 4.0 3.5 1.0 0.5
GLN 47 0 11.0 3.5 6.5 1.0 1.0
VAL 48 0 14.0 5.0 4.5 4.5 1.0
PRO 49 0 8.5 4.0 4.5 0.0 0.0
GLU 50 0 9.0 1.0 8.0 0.0 0.0
SER 51 0 4.5 2.0 2.5 0.0 0.0
LYS 52 0 10.0 1.5 8.5 0.0 0.0
ARG 53 0 21.5 1.5 11.0 9.0 1.5
VAL 54 0 8.0 3.0 3.5 1.5 1.0
ALA 55 0 7.5 2.5 5.0 0.0 0.0
VAL 56 0 9.5 1.0 5.5 3.0 0.0
VAL 57 0 14.5 1.5 6.0 7.0 3.5
ASP 58 0 9.0 1.5 6.5 1.0 1.0
ASN 59 0 8.0 1.0 7.0 0.0 0.0
PHE 60 0 23.5 2.5 11.0 10.0 11.0
THR 61 0 13.0 3.0 10.0 0.0 4.5
LYS 62 0 9.0 2.0 7.0 0.0 0.0
ALA 63 0 5.0 1.0 4.0 0.0 0.0
LEU 64 0 19.0 0.0 11.0 8.0 12.5
LYS 65 0 8.5 0.0 6.0 2.5 4.5
GLN 66 0 4.0 0.5 3.5 0.0 0.0
SER 67 0 5.0 1.5 3.5 0.0 0.0
VAL 68 0 9.0 1.0 2.0 6.0 6.0
LEU 69 0 3.0 0.0 2.0 1.0 1.0
GLU 70 0 2.5 1.0 1.5 0.0 0.0
HIS 71 0 1.5 1.0 0.0 0.5 0.5
HIS 72 0 0.0 0.0 0.0 0.0 0.0
HIS 73 0 0.0 0.0 0.0 0.0 0.0
HIS 74 0 0.0 0.0 0.0 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
MET 1 0 0.0 0.0 0.0 0.0 0.0
PRO 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
VAL 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 0.0 0.0 0.0 0.0 0.0
TYR 7 0 10.0 0.5 1.5 8.0 5.5
SER 8 0 6.0 1.0 5.0 0.0 0.0
ASN 9 0 4.0 1.0 3.0 0.0 0.0
GLU 10 0 4.0 1.0 3.0 0.0 0.0
ARG 11 0 10.5 0.5 9.5 0.5 0.5
VAL 12 0 14.0 1.0 5.5 7.5 5.0
GLU 13 0 8.0 1.5 6.5 0.0 0.0
LYS 14 0 7.0 1.5 5.5 0.0 0.0
ILE 15 0 19.0 1.0 10.0 8.0 8.0
ILE 16 0 15.0 0.0 6.5 8.5 8.5
GLN 17 0 6.0 0.5 5.5 0.0 0.0
ASP 18 0 10.5 1.0 9.5 0.0 2.5
LEU 19 0 13.0 1.0 10.0 2.0 7.0
LEU 20 0 13.5 1.5 6.5 5.5 5.5
ASP 21 0 11.0 3.0 8.0 0.0 0.0
VAL 22 0 15.5 4.0 10.5 1.0 6.5
LEU 23 0 13.5 2.5 6.0 5.0 4.0
VAL 24 0 6.0 1.0 5.0 0.0 0.0
LYS 25 0 6.5 1.5 5.0 0.0 0.0
GLU 26 0 9.5 2.0 5.0 2.5 2.5
GLU 27 0 3.5 1.5 2.0 0.0 0.0
VAL 28 0 10.5 1.0 6.0 3.5 1.5
THR 29 0 9.0 4.0 4.0 1.0 1.0
PRO 30 0 9.5 3.5 3.0 3.0 3.0
ASP 31 0 4.5 1.0 3.5 0.0 0.0
LEU 32 0 23.0 2.0 13.0 8.0 8.0
ALA 33 0 14.5 2.5 5.5 6.5 3.5
LEU 34 0 13.0 2.5 3.0 7.5 7.5
MET 35 0 14.0 2.0 9.0 3.0 3.0
CYS 36 0 12.5 1.5 5.0 6.0 6.0
LEU 37 0 9.0 0.5 8.5 0.0 2.5
GLY 38 0 10.0 1.0 5.0 4.0 4.5
ASN 39 0 15.0 2.5 8.5 4.0 4.0
ALA 40 0 13.0 3.0 5.5 4.5 5.5
VAL 41 0 23.5 2.5 12.5 8.5 8.0
THR 42 0 9.0 2.0 3.5 3.5 3.5
ASN 43 0 6.5 1.0 3.5 2.0 2.0
ILE 44 0 17.5 0.5 7.5 9.5 9.5
ILE 45 0 24.5 2.0 6.5 16.0 5.0
ALA 46 0 8.5 4.0 3.5 1.0 0.5
GLN 47 0 11.0 3.5 6.5 1.0 1.0
VAL 48 0 14.0 5.0 4.5 4.5 1.0
PRO 49 0 8.5 4.0 4.5 0.0 0.0
GLU 50 0 9.0 1.0 8.0 0.0 0.0
SER 51 0 4.5 2.0 2.5 0.0 0.0
LYS 52 0 10.0 1.5 8.5 0.0 0.0
ARG 53 0 21.5 1.5 11.0 9.0 1.5
VAL 54 0 8.0 3.0 3.5 1.5 1.0
ALA 55 0 7.5 2.5 5.0 0.0 0.0
VAL 56 0 9.5 1.0 5.5 3.0 0.0
VAL 57 0 14.5 1.5 6.0 7.0 3.5
ASP 58 0 9.0 1.5 6.5 1.0 1.0
ASN 59 0 8.0 1.0 7.0 0.0 0.0
PHE 60 0 23.5 2.5 11.0 10.0 11.0
THR 61 0 13.0 3.0 10.0 0.0 4.5
LYS 62 0 9.0 2.0 7.0 0.0 0.0
ALA 63 0 5.0 1.0 4.0 0.0 0.0
LEU 64 0 19.0 0.0 11.0 8.0 12.5
LYS 65 0 8.5 0.0 6.0 2.5 4.5
GLN 66 0 4.0 0.5 3.5 0.0 0.0
SER 67 0 5.0 1.5 3.5 0.0 0.0
VAL 68 0 9.0 1.0 2.0 6.0 6.0
LEU 69 0 3.0 0.0 2.0 1.0 1.0
GLU 70 0 2.5 1.0 1.5 0.0 0.0
HIS 71 0 1.5 1.0 0.0 0.5 0.5
HIS 72 0 0.0 0.0 0.0 0.0 0.0
HIS 73 0 0.0 0.0 0.0 0.0 0.0
HIS 74 0 0.0 0.0 0.0 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
# TOTAL 0 1384.0 220.0 774.0 390.0 366.0
# TOTAL NUMBER OF RESTRAINTS (CHECKING): 1384.0
List of conformationally-resticting NOE constraints
assign ((segid A and resid 13 and name HN )) ((segid A and resid 9 and name C )) 2.90 0.00 0.50
assign ((segid B and resid 13 and name HN )) ((segid B and resid 9 and name C )) 2.90 0.00 0.50
assign ((segid A and resid 7 and name HB# )) ((segid B and resid 32 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 7 and name HB# )) ((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 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 HB )) 1.80 0.00 3.20
assign ((segid A and resid 7 and name HE# )) ((segid B and resid 29 and name HG2# )) 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 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 35 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 11 and name HE )) ((segid B and resid 28 and name HG1# )) 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 HA )) ((segid B and resid 32 and name HD2# )) 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 12 and name HG1# )) ((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 HB# )) 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 HG2# )) ((segid B and resid 32 and name HD2# )) 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 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 HG1 )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HD1# )) ((segid B and resid 26 and name HG2 )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HD1# )) ((segid B and resid 28 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HD1# )) ((segid B and resid 32 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HD1# )) ((segid B and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HD1# )) ((segid B and resid 32 and name HG )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HG1# )) ((segid B and resid 26 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HG1# )) ((segid B and resid 26 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HG2# )) ((segid B and resid 22 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HG2# )) ((segid B and resid 28 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HG2# )) ((segid B and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HG2# )) ((segid B and resid 33 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HG2# )) ((segid B and resid 36 and name HB1 )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HG2# )) ((segid B and resid 36 and name HB2 )) 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 HB1 )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HD1# )) ((segid B and resid 39 and name HB2 )) 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 HG11 )) ((segid B and resid 36 and name HB# )) 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 HG12 )) ((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 36 and name HB# )) 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 40 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 16 and name HG2# )) ((segid B and resid 40 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 18 and name HA )) ((segid B and resid 22 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 18 and name HA )) ((segid B and resid 22 and name HG2# )) 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 HN )) ((segid B and resid 22 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HA )) ((segid B and resid 22 and name HG2# )) 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 36 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HD1# )) ((segid B and resid 40 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HD2# )) ((segid B and resid 22 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HD2# )) ((segid B and resid 22 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HD2# )) ((segid B and resid 22 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HD2# )) ((segid B and resid 22 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HD2# )) ((segid B and resid 23 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HD2# )) ((segid B and resid 23 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HD2# )) ((segid B and resid 23 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HD2# )) ((segid B and resid 23 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HD2# )) ((segid B and resid 36 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 19 and name HN )) ((segid B and resid 22 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 20 and name HD1# )) ((segid B and resid 40 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 20 and name HD1# )) ((segid B and resid 40 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 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 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 HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 20 and name HD2# )) ((segid B and resid 47 and name HE2# )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HD1# )) ((segid B and resid 44 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HD1# )) ((segid B and resid 44 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HD1# )) ((segid B and resid 44 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 23 and name HD2# )) ((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 HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 30 and name HA )) ((segid B and resid 44 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 30 and name HB# )) ((segid B and resid 44 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 30 and name HB# )) ((segid B and resid 48 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 30 and name HG# )) ((segid B and resid 47 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 30 and name HG# )) ((segid B and resid 48 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 33 and name HA )) ((segid B and resid 44 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 33 and name HB# )) ((segid B and resid 44 and name HB )) 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 HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 33 and name HB# )) ((segid B and resid 44 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 33 and name HN )) ((segid B and resid 44 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HD1# )) ((segid B and resid 44 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HN )) ((segid B and resid 44 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HD1# )) ((segid B and resid 60 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 44 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HD2# )) ((segid B and resid 45 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HD2# )) ((segid B and resid 45 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HD2# )) ((segid B and resid 45 and name HG11 )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HD2# )) ((segid B and resid 45 and name HG12 )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HD2# )) ((segid B and resid 60 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HD2# )) ((segid B and resid 60 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HD2# )) ((segid B and resid 60 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 34 and name HG )) ((segid B and resid 44 and name HG2# )) 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 60 and name HZ )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HA2 )) ((segid B and resid 60 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 60 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HA# )) ((segid B and resid 64 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HA# )) ((segid B and resid 64 and name HG )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HN )) ((segid B and resid 60 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HN )) ((segid B and resid 60 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 38 and name HN )) ((segid B and resid 60 and name HZ )) 1.80 0.00 3.20
assign ((segid A and resid 39 and name HN )) ((segid B and resid 60 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HB )) ((segid B and resid 64 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG1# )) ((segid B and resid 60 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG1# )) ((segid B and resid 60 and name HZ )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG1# )) ((segid B and resid 64 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG1# )) ((segid B and resid 64 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG1# )) ((segid B and resid 64 and name HG )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG2# )) ((segid B and resid 60 and name HZ )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG2# )) ((segid B and resid 64 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG2# )) ((segid B and resid 64 and name HG )) 1.80 0.00 3.20
assign ((segid A and resid 42 and name HA )) ((segid B and resid 64 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 42 and name HA )) ((segid B and resid 68 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 42 and name HB )) ((segid B and resid 64 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 42 and name HG2# )) ((segid B and resid 64 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 42 and name HG2# )) ((segid B and resid 64 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 42 and name HG2# )) ((segid B and resid 68 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 42 and name HN )) ((segid B and resid 64 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HB )) ((segid B and resid 68 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HD1# )) ((segid B and resid 64 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HD1# )) ((segid B and resid 64 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HD1# )) ((segid B and resid 68 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HD1# )) ((segid B and resid 68 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HG2# )) ((segid B and resid 68 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 46 and name HB# )) ((segid B and resid 71 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 53 and name HB# )) ((segid B and resid 68 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 53 and name HD# )) ((segid B and resid 68 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 53 and name HG# )) ((segid B and resid 68 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 54 and name HG2# )) ((segid B and resid 69 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 54 and name HG2# )) ((segid B and resid 69 and name HG )) 1.80 0.00 3.20
assign ((segid A and resid 57 and name HB )) ((segid B and resid 64 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 57 and name HB )) ((segid B and resid 68 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 57 and name HB )) ((segid B and resid 68 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 57 and name HG1# )) ((segid B and resid 65 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 57 and name HG2# )) ((segid B and resid 65 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 57 and name HG2# )) ((segid B and resid 65 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 57 and name HG2# )) ((segid B and resid 68 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 58 and name HA )) ((segid B and resid 65 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 58 and name HA )) ((segid B and resid 65 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 60 and name HB# )) ((segid B and resid 61 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 60 and name HD# )) ((segid B and resid 61 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 60 and name HD# )) ((segid B and resid 64 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 60 and name HD# )) ((segid B and resid 64 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 60 and name HE# )) ((segid B and resid 64 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 60 and name HE# )) ((segid B and resid 64 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 60 and name HZ )) ((segid B and resid 64 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 60 and name HZ )) ((segid B and resid 64 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 61 and name HA )) ((segid B and resid 64 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 61 and name HG2# )) ((segid B and resid 64 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 61 and name HG2# )) ((segid B and resid 64 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 61 and name HG2# )) ((segid B and resid 65 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 61 and name HG2# )) ((segid B and resid 65 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 61 and name HG2# )) ((segid B and resid 65 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 61 and name HG2# )) ((segid B and resid 65 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HB# )) ((segid A and resid 32 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HB# )) ((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 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 HB )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HE# )) ((segid A and resid 29 and name HG2# )) 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 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 35 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 11 and name HE )) ((segid A and resid 28 and name HG1# )) 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 HA )) ((segid A and resid 32 and name HD2# )) 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 12 and name HG1# )) ((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 HB# )) 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 HG2# )) ((segid A and resid 32 and name HD2# )) 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 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 HG1 )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HD1# )) ((segid A and resid 26 and name HG2 )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HD1# )) ((segid A and resid 28 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HD1# )) ((segid A and resid 32 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HD1# )) ((segid A and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HD1# )) ((segid A and resid 32 and name HG )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HG1# )) ((segid A and resid 26 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HG1# )) ((segid A and resid 26 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HG2# )) ((segid A and resid 22 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HG2# )) ((segid A and resid 28 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HG2# )) ((segid A and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HG2# )) ((segid A and resid 33 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HG2# )) ((segid A and resid 36 and name HB1 )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HG2# )) ((segid A and resid 36 and name HB2 )) 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 HB1 )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HD1# )) ((segid A and resid 39 and name HB2 )) 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 HG11 )) ((segid A and resid 36 and name HB# )) 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 HG12 )) ((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 36 and name HB# )) 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 40 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 16 and name HG2# )) ((segid A and resid 40 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 18 and name HA )) ((segid A and resid 22 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 18 and name HA )) ((segid A and resid 22 and name HG2# )) 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 HN )) ((segid A and resid 22 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HA )) ((segid A and resid 22 and name HG2# )) 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 36 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HD1# )) ((segid A and resid 40 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HD2# )) ((segid A and resid 22 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HD2# )) ((segid A and resid 22 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HD2# )) ((segid A and resid 22 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HD2# )) ((segid A and resid 22 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HD2# )) ((segid A and resid 23 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HD2# )) ((segid A and resid 23 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HD2# )) ((segid A and resid 23 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HD2# )) ((segid A and resid 23 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HD2# )) ((segid A and resid 36 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 19 and name HN )) ((segid A and resid 22 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 20 and name HD1# )) ((segid A and resid 40 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 20 and name HD1# )) ((segid A and resid 40 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 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 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 HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 20 and name HD2# )) ((segid A and resid 47 and name HE2# )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HD1# )) ((segid A and resid 44 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HD1# )) ((segid A and resid 44 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HD1# )) ((segid A and resid 44 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 23 and name HD2# )) ((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 HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 30 and name HA )) ((segid A and resid 44 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 30 and name HB# )) ((segid A and resid 44 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 30 and name HB# )) ((segid A and resid 48 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 30 and name HG# )) ((segid A and resid 47 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 30 and name HG# )) ((segid A and resid 48 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 33 and name HA )) ((segid A and resid 44 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 33 and name HB# )) ((segid A and resid 44 and name HB )) 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 HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 33 and name HB# )) ((segid A and resid 44 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 33 and name HN )) ((segid A and resid 44 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HD1# )) ((segid A and resid 44 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HN )) ((segid A and resid 44 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HD1# )) ((segid A and resid 60 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 44 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HD2# )) ((segid A and resid 45 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HD2# )) ((segid A and resid 45 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HD2# )) ((segid A and resid 45 and name HG11 )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HD2# )) ((segid A and resid 45 and name HG12 )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HD2# )) ((segid A and resid 60 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HD2# )) ((segid A and resid 60 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HD2# )) ((segid A and resid 60 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 34 and name HG )) ((segid A and resid 44 and name HG2# )) 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 60 and name HZ )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HA2 )) ((segid A and resid 60 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 60 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HA# )) ((segid A and resid 64 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HA# )) ((segid A and resid 64 and name HG )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HN )) ((segid A and resid 60 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HN )) ((segid A and resid 60 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 38 and name HN )) ((segid A and resid 60 and name HZ )) 1.80 0.00 3.20
assign ((segid B and resid 39 and name HN )) ((segid A and resid 60 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HB )) ((segid A and resid 64 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG1# )) ((segid A and resid 60 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG1# )) ((segid A and resid 60 and name HZ )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG1# )) ((segid A and resid 64 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG1# )) ((segid A and resid 64 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG1# )) ((segid A and resid 64 and name HG )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG2# )) ((segid A and resid 60 and name HZ )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG2# )) ((segid A and resid 64 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG2# )) ((segid A and resid 64 and name HG )) 1.80 0.00 3.20
assign ((segid B and resid 42 and name HA )) ((segid A and resid 64 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 42 and name HA )) ((segid A and resid 68 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 42 and name HB )) ((segid A and resid 64 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 42 and name HG2# )) ((segid A and resid 64 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 42 and name HG2# )) ((segid A and resid 64 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 42 and name HG2# )) ((segid A and resid 68 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 42 and name HN )) ((segid A and resid 64 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HB )) ((segid A and resid 68 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HD1# )) ((segid A and resid 64 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HD1# )) ((segid A and resid 64 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HD1# )) ((segid A and resid 68 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HD1# )) ((segid A and resid 68 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HG2# )) ((segid A and resid 68 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 46 and name HB# )) ((segid A and resid 71 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 53 and name HB# )) ((segid A and resid 68 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 53 and name HD# )) ((segid A and resid 68 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 53 and name HG# )) ((segid A and resid 68 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 54 and name HG2# )) ((segid A and resid 69 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 54 and name HG2# )) ((segid A and resid 69 and name HG )) 1.80 0.00 3.20
assign ((segid B and resid 57 and name HB )) ((segid A and resid 64 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 57 and name HB )) ((segid A and resid 68 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 57 and name HB )) ((segid A and resid 68 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 57 and name HG1# )) ((segid A and resid 65 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 57 and name HG2# )) ((segid A and resid 65 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 57 and name HG2# )) ((segid A and resid 65 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 57 and name HG2# )) ((segid A and resid 68 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 58 and name HA )) ((segid A and resid 65 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 58 and name HA )) ((segid A and resid 65 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 60 and name HB# )) ((segid A and resid 61 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 60 and name HD# )) ((segid A and resid 61 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 60 and name HD# )) ((segid A and resid 64 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 60 and name HD# )) ((segid A and resid 64 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 60 and name HE# )) ((segid A and resid 64 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 60 and name HE# )) ((segid A and resid 64 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 60 and name HZ )) ((segid A and resid 64 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 60 and name HZ )) ((segid A and resid 64 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 61 and name HA )) ((segid A and resid 64 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 61 and name HG2# )) ((segid A and resid 64 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 61 and name HG2# )) ((segid A and resid 64 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 61 and name HG2# )) ((segid A and resid 65 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 61 and name HG2# )) ((segid A and resid 65 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 61 and name HG2# )) ((segid A and resid 65 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 61 and name HG2# )) ((segid A and resid 65 and name HN )) 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 7 and name HA )) ((segid A and resid 8 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 7 and name 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 12 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 7 and name HD# )) ((segid A and resid 11 and name HD# )) 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 HB# )) 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 HB# )) 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 HD# )) 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 8 and name HN )) ((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 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 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 1.10
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 HN )) 1.80 0.00 3.20
assign ((segid A and resid 10 and name HA )) ((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 HN )) 1.80 0.00 1.70
assign ((segid A and resid 10 and name HN )) ((segid A and resid 12 and name HN )) 1.80 0.00 3.20
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 HB1 )) 1.80 0.00 3.20
assign ((segid A and resid 11 and name HA )) ((segid A and resid 14 and name HB2 )) 1.80 0.00 3.20
assign ((segid A and resid 11 and name HA )) ((segid A and resid 14 and name HD# )) 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 HA )) ((segid A and resid 15 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 11 and name HD# )) ((segid A and resid 15 and name HD1# )) 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 HG# )) ((segid A and resid 15 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 11 and name HG# )) ((segid A and resid 15 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 11 and name HH# )) ((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 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 HG2# )) 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 HG1# )) ((segid A and resid 13 and name HA )) 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 13 and name HA )) ((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 HG1# )) 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 HG# )) ((segid A and resid 16 and name HD1# )) 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 13 and name HN )) ((segid A and resid 16 and name HD1# )) 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 18 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 14 and name HG# )) ((segid A and resid 18 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 14 and name HN )) ((segid A and resid 15 and name HG1# )) 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 16 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 14 and name HN )) ((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 HG1# )) ((segid A and resid 18 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HG2# )) ((segid A and resid 18 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HG2# )) ((segid A and resid 19 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HG2# )) ((segid A and resid 19 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 15 and name HN )) ((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 HD1# )) 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 17 and name HA )) ((segid A and resid 20 and name HB1 )) 1.80 0.00 3.20
assign ((segid A and resid 17 and name HA )) ((segid A and resid 20 and name HB2 )) 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 HA )) ((segid A and resid 21 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 17 and name HE2# )) ((segid A and resid 21 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 17 and name HE22 )) ((segid A and resid 20 and name HB1 )) 1.80 0.00 3.20
assign ((segid A and resid 17 and name HE22 )) ((segid A and resid 20 and name HB2 )) 1.80 0.00 3.20
assign ((segid A and resid 17 and name HG# )) ((segid A and resid 21 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 HN )) 1.80 0.00 1.70
assign ((segid A and resid 17 and name HN )) ((segid A and resid 19 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 18 and name HA )) ((segid A and resid 20 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 18 and name HA )) ((segid A and resid 21 and name HB1 )) 1.80 0.00 3.20
assign ((segid A and resid 18 and name HA )) ((segid A and resid 21 and name HB2 )) 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 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 18 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 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 HG )) 1.80 0.00 3.20
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 HN )) 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 HB# )) 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 1.10
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 23 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 HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 21 and name HA )) ((segid A and resid 24 and name HG2# )) 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 HB# )) ((segid A and resid 22 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 21 and name HB# )) ((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 HB )) 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 1.10
assign ((segid A and resid 21 and name HN )) ((segid A and resid 23 and name HN )) 1.80 0.00 3.20
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 HB )) ((segid A and resid 23 and name HD2# )) 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 23 and name HN )) 1.80 0.00 1.10
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 HB# )) 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 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 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 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 HN )) ((segid A and resid 24 and name HN )) 1.80 0.00 1.10
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 23 and name HN )) ((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 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 HG1# )) ((segid A and resid 25 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 24 and name HG1# )) ((segid A and resid 26 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 24 and name HG1# )) ((segid A and resid 27 and name HN )) 1.80 0.00 3.20
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 HG# )) 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 HG# )) 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 HA )) ((segid A and resid 27 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 26 and name HB# )) ((segid A and resid 28 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 26 and name HG2 )) ((segid A and resid 28 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 26 and name HG# )) ((segid A and resid 28 and name HN )) 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 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 HG2# )) 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 HD1# )) 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 HG1# )) ((segid A and resid 32 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 28 and name HG1# )) ((segid A and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 28 and name HG1# )) ((segid A and resid 32 and name HG )) 1.80 0.00 3.20
assign ((segid A and resid 28 and name HG1# )) ((segid A and resid 33 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 28 and name HG2# )) ((segid A and resid 32 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 28 and name HG2# )) ((segid A and resid 33 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 29 and name HA )) ((segid A and resid 30 and name HD1 )) 1.80 0.00 1.20
assign ((segid A and resid 29 and name HA )) ((segid A and resid 30 and name HD2 )) 1.80 0.00 1.20
assign ((segid A and resid 29 and name HA )) ((segid A and resid 31 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 29 and name HA )) ((segid A and resid 32 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 29 and name HB )) ((segid A and resid 30 and name HD1 )) 1.80 0.00 3.20
assign ((segid A and resid 29 and name HB )) ((segid A and resid 30 and name HD2 )) 1.80 0.00 3.20
assign ((segid A and resid 29 and name HB )) ((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 HG2# )) ((segid A and resid 30 and name HD1 )) 1.80 0.00 3.20
assign ((segid A and resid 29 and name HG2# )) ((segid A and resid 30 and name HD2 )) 1.80 0.00 3.20
assign ((segid A and resid 29 and name HG2# )) ((segid A and resid 31 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 29 and name HN )) ((segid A and resid 30 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 29 and name HN )) ((segid A and resid 32 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 29 and name HN )) ((segid A and resid 32 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 29 and name HN )) ((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 33 and name HB# )) 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 HB# )) ((segid A and resid 32 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 30 and name HB# )) ((segid A and resid 33 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 30 and name HB# )) ((segid A and resid 33 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 30 and name HD# )) ((segid A and resid 32 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 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 HN )) ((segid A and resid 32 and name HB# )) 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 34 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 HE# )) 1.80 0.00 3.20
assign ((segid A and resid 32 and name HD1# )) ((segid A and resid 35 and name HG# )) 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 HN )) 1.80 0.00 3.20
assign ((segid A and resid 32 and name HN )) ((segid A and resid 33 and name HB# )) 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 1.10
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 HB# )) 1.80 0.00 3.20
assign ((segid A and resid 32 and name HN )) ((segid A and resid 35 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 33 and name HA )) ((segid A and resid 35 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 33 and name HA )) ((segid A and resid 36 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 33 and name HA )) ((segid A and resid 37 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 33 and name HB# )) ((segid A and resid 34 and name HG )) 1.80 0.00 3.20
assign ((segid A and resid 33 and name HB# )) ((segid A and resid 37 and name HD1# )) 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 34 and name HN )) 1.80 0.00 1.70
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 34 and name HA )) ((segid A and resid 37 and name HB# )) 1.80 0.00 3.20
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 HN )) ((segid A and resid 35 and name HB# )) 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 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 HD2# )) 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 HG1 )) ((segid A and resid 39 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 35 and name HG2 )) ((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 36 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 35 and name HG# )) ((segid A and resid 39 and name HN )) 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
assign ((segid A and resid 36 and name HA )) ((segid A and resid 39 and name HB1 )) 1.80 0.00 3.20
assign ((segid A and resid 36 and name HA )) ((segid A and resid 39 and name HB2 )) 1.80 0.00 3.20
assign ((segid A and resid 36 and name HA )) ((segid A and resid 39 and name HD2# )) 1.80 0.00 3.20
assign ((segid A and resid 36 and name HA )) ((segid A and resid 39 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 36 and name HA )) ((segid A and resid 40 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 36 and name HB# )) ((segid A and resid 39 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 36 and name HN )) ((segid A and resid 37 and name HN )) 1.80 0.00 1.10
assign ((segid A and resid 36 and name HN )) ((segid A and resid 38 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 37 and name HA )) ((segid A and resid 40 and name HB# )) 1.80 0.00 3.20
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 HG2# )) 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 HG2# )) 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 HD2# )) ((segid A and resid 40 and name HB# )) 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 HA1 )) ((segid A and resid 41 and name HN )) 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 HA2 )) ((segid A and resid 41 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 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 1.10
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 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 HN )) 1.80 0.00 3.20
assign ((segid A and resid 39 and name HB# )) ((segid A and resid 40 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 39 and name HB# )) ((segid A and resid 41 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 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 1.10
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 39 and name HN )) ((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 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 HN )) 1.80 0.00 3.20
assign ((segid A and resid 40 and name HA )) ((segid A and resid 44 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 40 and name HB# )) ((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 HB )) 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 43 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HA )) ((segid A and resid 43 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 HB )) 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 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 HG11 )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG1# )) ((segid A and resid 45 and name HG12 )) 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 60 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG1# )) ((segid A and resid 60 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG1# )) ((segid A and resid 60 and name HZ )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG2# )) ((segid A and resid 60 and name HE# )) 1.80 0.00 3.20
assign ((segid A and resid 41 and name HG2# )) ((segid A and resid 60 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 HB )) 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 HN )) 1.80 0.00 3.20
assign ((segid A and resid 42 and name HN )) ((segid A and resid 43 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 42 and name HN )) ((segid A and resid 43 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 42 and name HN )) ((segid A and resid 44 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 HB# )) 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 HN )) ((segid A and resid 45 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 44 and name HA )) ((segid A and resid 46 and name HN )) 1.80 0.00 3.20
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 HE21 )) 1.80 0.00 3.20
assign ((segid A and resid 44 and name HA )) ((segid A and resid 47 and name HE22 )) 1.80 0.00 3.20
assign ((segid A and resid 44 and name HA )) ((segid A and resid 47 and name HG# )) 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 HD1# )) ((segid A and resid 47 and name HE21 )) 1.80 0.00 3.20
assign ((segid A and resid 44 and name HD1# )) ((segid A and resid 47 and name HE22 )) 1.80 0.00 3.20
assign ((segid A and resid 44 and name HG2# )) ((segid A and resid 46 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 44 and name HG2# )) ((segid A and resid 47 and name HE22 )) 1.80 0.00 3.20
assign ((segid A and resid 44 and name HG2# )) ((segid A and resid 47 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 1.10
assign ((segid A and resid 45 and name HA )) ((segid A and resid 47 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HA )) ((segid A and resid 48 and name HG2# )) 1.80 0.00 3.20
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 HB )) ((segid A and resid 47 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HD1# )) ((segid A and resid 56 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HD1# )) ((segid A and resid 56 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HD1# )) ((segid A and resid 57 and name HA )) 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 HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HD1# )) ((segid A and resid 57 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HD1# )) ((segid A and resid 60 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HG1# )) ((segid A and resid 57 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HG2# )) ((segid A and resid 46 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HG2# )) ((segid A and resid 46 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HG2# )) ((segid A and resid 47 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HG2# )) ((segid A and resid 48 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HG2# )) ((segid A and resid 53 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HG2# )) ((segid A and resid 53 and name HB1 )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HG2# )) ((segid A and resid 53 and name HB2 )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HG2# )) ((segid A and resid 53 and name HD1 )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HG2# )) ((segid A and resid 53 and name HD2 )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HG2# )) ((segid A and resid 53 and name HE )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HG2# )) ((segid A and resid 53 and name HG1 )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HG2# )) ((segid A and resid 53 and name HG2 )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HG2# )) ((segid A and resid 54 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HG2# )) ((segid A and resid 56 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HG2# )) ((segid A and resid 56 and name HG1# )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HG2# )) ((segid A and resid 56 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HG2# )) ((segid A and resid 57 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 45 and name HG2# )) ((segid A and resid 57 and name HG2# )) 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 1.10
assign ((segid A and resid 45 and name HN )) ((segid A and resid 47 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 46 and name HA )) ((segid A and resid 48 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 46 and name HA )) ((segid A and resid 48 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 46 and name HA )) ((segid A and resid 53 and name HE )) 1.80 0.00 3.20
assign ((segid A and resid 46 and name HB# )) ((segid A and resid 47 and name HE21 )) 1.80 0.00 3.20
assign ((segid A and resid 46 and name HB# )) ((segid A and resid 47 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 46 and name HB# )) ((segid A and resid 48 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 46 and name HN )) ((segid A and resid 47 and name HE2# )) 1.80 0.00 3.20
assign ((segid A and resid 46 and name HN )) ((segid A and resid 47 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 1.10
assign ((segid A and resid 47 and name HN )) ((segid A and resid 48 and name HG2# )) 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 1.10
assign ((segid A and resid 48 and name HA )) ((segid A and resid 49 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 48 and name HA )) ((segid A and resid 49 and name HD1 )) 1.80 0.00 1.20
assign ((segid A and resid 48 and name HA )) ((segid A and resid 49 and name HD2 )) 1.80 0.00 1.20
assign ((segid A and resid 48 and name HA )) ((segid A and resid 49 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 48 and name HB )) ((segid A and resid 49 and name HD1 )) 1.80 0.00 3.20
assign ((segid A and resid 48 and name HB )) ((segid A and resid 49 and name HD2 )) 1.80 0.00 3.20
assign ((segid A and resid 48 and name HB )) ((segid A and resid 53 and name HE )) 1.80 0.00 3.20
assign ((segid A and resid 48 and name HG1# )) ((segid A and resid 49 and name HD1 )) 1.80 0.00 3.20
assign ((segid A and resid 48 and name HG1# )) ((segid A and resid 49 and name HD2 )) 1.80 0.00 3.20
assign ((segid A and resid 48 and name HG1# )) ((segid A and resid 52 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 48 and name HG1# )) ((segid A and resid 52 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 48 and name HG1# )) ((segid A and resid 53 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 48 and name HG1# )) ((segid A and resid 56 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 48 and name HG2# )) ((segid A and resid 53 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 48 and name HG2# )) ((segid A and resid 53 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 48 and name HG# )) ((segid A and resid 52 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 48 and name HG# )) ((segid A and resid 53 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 48 and name HN )) ((segid A and resid 53 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 49 and name HA )) ((segid A and resid 53 and name HE )) 1.80 0.00 3.20
assign ((segid A and resid 49 and name HB1 )) ((segid A and resid 51 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 49 and name HB2 )) ((segid A and resid 51 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 49 and name HB# )) ((segid A and resid 51 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 49 and name HB# )) ((segid A and resid 52 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 49 and name HB# )) ((segid A and resid 52 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 49 and name HD1 )) ((segid A and resid 52 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 49 and name HD2 )) ((segid A and resid 52 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 49 and name HG# )) ((segid A and resid 52 and name HG# )) 1.80 0.00 3.20
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 HA )) ((segid A and resid 53 and name HB1 )) 1.80 0.00 3.20
assign ((segid A and resid 50 and name HA )) ((segid A and resid 53 and name HB2 )) 1.80 0.00 3.20
assign ((segid A and resid 50 and name HA )) ((segid A and resid 53 and name HD1 )) 1.80 0.00 3.20
assign ((segid A and resid 50 and name HA )) ((segid A and resid 53 and name HD2 )) 1.80 0.00 3.20
assign ((segid A and resid 50 and name HA )) ((segid A and resid 53 and name HE )) 1.80 0.00 3.20
assign ((segid A and resid 50 and name HA )) ((segid A and resid 53 and name HG# )) 1.80 0.00 3.20
assign ((segid A and resid 50 and name HA )) ((segid A and resid 53 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 HG# )) ((segid A and resid 53 and name HE )) 1.80 0.00 3.20
assign ((segid A and resid 50 and name HG# )) ((segid A and resid 53 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 50 and name HN )) ((segid A and resid 51 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 50 and name HN )) ((segid A and resid 51 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 50 and name HN )) ((segid A and resid 52 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 50 and name HN )) ((segid A and resid 53 and name HD# )) 1.80 0.00 3.20
assign ((segid A and resid 50 and name HN )) ((segid A and resid 53 and name HE )) 1.80 0.00 3.20
assign ((segid A and resid 50 and name HN )) ((segid A and resid 53 and name HH1# )) 1.80 0.00 3.20
assign ((segid A and resid 50 and name HN )) ((segid A and resid 53 and name HH2# )) 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 HN )) ((segid A and resid 52 and name HG# )) 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 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 HB# )) 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 HB# )) ((segid A and resid 55 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 52 and name HB# )) ((segid A and resid 56 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 52 and name HG# )) ((segid A and resid 56 and name HG2# )) 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 1.10
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 HG2# )) 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 HN )) 1.80 0.00 3.20
assign ((segid A and resid 53 and name HB# )) ((segid A and resid 54 and name HG2# )) 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 57 and name HB )) 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 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 HB )) ((segid A and resid 55 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 54 and name HG1# )) ((segid A and resid 55 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 54 and name HG1# )) ((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 HB# )) 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 55 and name HA )) ((segid A and resid 57 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 HB1 )) 1.80 0.00 3.20
assign ((segid A and resid 55 and name HA )) ((segid A and resid 58 and name HB2 )) 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 HA )) ((segid A and resid 59 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 55 and name HB# )) ((segid A and resid 56 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 55 and name HB# )) ((segid A and resid 58 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 HB1 )) 1.80 0.00 3.20
assign ((segid A and resid 56 and name HA )) ((segid A and resid 59 and name HB2 )) 1.80 0.00 3.20
assign ((segid A and resid 56 and name HA )) ((segid A and resid 59 and name HD22 )) 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 HN )) ((segid A and resid 57 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 56 and name HN )) ((segid A and resid 58 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 HD# )) 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 HG2# )) ((segid A and resid 60 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 57 and name HG2# )) ((segid A and resid 61 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 57 and name HG2# )) ((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 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 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 HN )) 1.80 0.00 1.70
assign ((segid A and resid 58 and name HN )) ((segid A and resid 60 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 58 and name HN )) ((segid A and resid 60 and name HN )) 1.80 0.00 3.20
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 HD# )) 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 61 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 59 and name HB# )) ((segid A and resid 63 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 59 and name HN )) ((segid A and resid 60 and name HB# )) 1.80 0.00 3.20
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 59 and name HN )) ((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 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 HB# )) 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 HD# )) ((segid A and resid 61 and name HA )) 1.80 0.00 3.20
assign ((segid A and resid 60 and name HE# )) ((segid A and resid 64 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 60 and name HN )) ((segid A and resid 61 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 60 and name HN )) ((segid A and resid 62 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 60 and name HZ )) ((segid A and resid 64 and name HD1# )) 1.80 0.00 3.20
assign ((segid A and resid 61 and name HA )) ((segid A and resid 63 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 HD1# )) 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 HG2# )) ((segid A and resid 64 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 1.10
assign ((segid A and resid 61 and name HN )) ((segid A and resid 63 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 61 and name HN )) ((segid A and resid 64 and name HB# )) 1.80 0.00 3.20
assign ((segid A and resid 62 and name HA )) ((segid A and resid 64 and name HN )) 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 64 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 62 and name HN )) ((segid A and resid 63 and name HB# )) 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 1.10
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 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 HB# )) ((segid A and resid 66 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 64 and name HB# )) ((segid A and resid 67 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 65 and name HA )) ((segid A and resid 67 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 65 and name HA )) ((segid A and resid 68 and name HB )) 1.80 0.00 3.20
assign ((segid A and resid 65 and name HA )) ((segid A and resid 68 and name HG2# )) 1.80 0.00 3.20
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 HA )) ((segid A and resid 69 and name HN )) 1.80 0.00 3.20
assign ((segid A and resid 65 and name HB# )) ((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 HD1# )) 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 HN )) ((segid A and resid 67 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 67 and name HA )) ((segid A and resid 70 and name HB# )) 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 68 and name HG2# )) 1.80 0.00 3.20
assign ((segid A and resid 67 and name HN )) ((segid A and resid 68 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 70 and name HA )) ((segid A and resid 71 and name HN )) 1.80 0.00 1.70
assign ((segid A and resid 70 and name HN )) ((segid A and resid 71 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 7 and name HA )) ((segid B and resid 8 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 7 and name 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 12 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 7 and name HD# )) ((segid B and resid 11 and name HD# )) 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 HB# )) 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 HB# )) 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 HD# )) 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 8 and name HN )) ((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 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 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 1.10
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 HN )) 1.80 0.00 3.20
assign ((segid B and resid 10 and name HA )) ((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 HN )) 1.80 0.00 1.70
assign ((segid B and resid 10 and name HN )) ((segid B and resid 12 and name HN )) 1.80 0.00 3.20
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 HB1 )) 1.80 0.00 3.20
assign ((segid B and resid 11 and name HA )) ((segid B and resid 14 and name HB2 )) 1.80 0.00 3.20
assign ((segid B and resid 11 and name HA )) ((segid B and resid 14 and name HD# )) 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 HA )) ((segid B and resid 15 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 11 and name HD# )) ((segid B and resid 15 and name HD1# )) 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 HG# )) ((segid B and resid 15 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 11 and name HG# )) ((segid B and resid 15 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 11 and name HH# )) ((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 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 HG2# )) 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 HG1# )) ((segid B and resid 13 and name HA )) 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 13 and name HA )) ((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 HG1# )) 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 HG# )) ((segid B and resid 16 and name HD1# )) 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 13 and name HN )) ((segid B and resid 16 and name HD1# )) 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 18 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 14 and name HG# )) ((segid B and resid 18 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 14 and name HN )) ((segid B and resid 15 and name HG1# )) 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 16 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 14 and name HN )) ((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 HG1# )) ((segid B and resid 18 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HG2# )) ((segid B and resid 18 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HG2# )) ((segid B and resid 19 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HG2# )) ((segid B and resid 19 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 15 and name HN )) ((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 HD1# )) 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 17 and name HA )) ((segid B and resid 20 and name HB1 )) 1.80 0.00 3.20
assign ((segid B and resid 17 and name HA )) ((segid B and resid 20 and name HB2 )) 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 HA )) ((segid B and resid 21 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 17 and name HE2# )) ((segid B and resid 21 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 17 and name HE22 )) ((segid B and resid 20 and name HB1 )) 1.80 0.00 3.20
assign ((segid B and resid 17 and name HE22 )) ((segid B and resid 20 and name HB2 )) 1.80 0.00 3.20
assign ((segid B and resid 17 and name HG# )) ((segid B and resid 21 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 HN )) 1.80 0.00 1.70
assign ((segid B and resid 17 and name HN )) ((segid B and resid 19 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 18 and name HA )) ((segid B and resid 20 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 18 and name HA )) ((segid B and resid 21 and name HB1 )) 1.80 0.00 3.20
assign ((segid B and resid 18 and name HA )) ((segid B and resid 21 and name HB2 )) 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 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 18 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 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 HG )) 1.80 0.00 3.20
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 HN )) 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 HB# )) 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 1.10
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 23 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 HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 21 and name HA )) ((segid B and resid 24 and name HG2# )) 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 HB# )) ((segid B and resid 22 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 21 and name HB# )) ((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 HB )) 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 1.10
assign ((segid B and resid 21 and name HN )) ((segid B and resid 23 and name HN )) 1.80 0.00 3.20
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 HB )) ((segid B and resid 23 and name HD2# )) 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 23 and name HN )) 1.80 0.00 1.10
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 HB# )) 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 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 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 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 HN )) ((segid B and resid 24 and name HN )) 1.80 0.00 1.10
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 23 and name HN )) ((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 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 HG1# )) ((segid B and resid 25 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 24 and name HG1# )) ((segid B and resid 26 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 24 and name HG1# )) ((segid B and resid 27 and name HN )) 1.80 0.00 3.20
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 HG# )) 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 HG# )) 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 HA )) ((segid B and resid 27 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 26 and name HB# )) ((segid B and resid 28 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 26 and name HG2 )) ((segid B and resid 28 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 26 and name HG# )) ((segid B and resid 28 and name HN )) 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 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 HG2# )) 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 HD1# )) 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 HG1# )) ((segid B and resid 32 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 28 and name HG1# )) ((segid B and resid 32 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 28 and name HG1# )) ((segid B and resid 32 and name HG )) 1.80 0.00 3.20
assign ((segid B and resid 28 and name HG1# )) ((segid B and resid 33 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 28 and name HG2# )) ((segid B and resid 32 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 28 and name HG2# )) ((segid B and resid 33 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 29 and name HA )) ((segid B and resid 30 and name HD1 )) 1.80 0.00 1.20
assign ((segid B and resid 29 and name HA )) ((segid B and resid 30 and name HD2 )) 1.80 0.00 1.20
assign ((segid B and resid 29 and name HA )) ((segid B and resid 31 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 29 and name HA )) ((segid B and resid 32 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 29 and name HB )) ((segid B and resid 30 and name HD1 )) 1.80 0.00 3.20
assign ((segid B and resid 29 and name HB )) ((segid B and resid 30 and name HD2 )) 1.80 0.00 3.20
assign ((segid B and resid 29 and name HB )) ((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 HG2# )) ((segid B and resid 30 and name HD1 )) 1.80 0.00 3.20
assign ((segid B and resid 29 and name HG2# )) ((segid B and resid 30 and name HD2 )) 1.80 0.00 3.20
assign ((segid B and resid 29 and name HG2# )) ((segid B and resid 31 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 29 and name HN )) ((segid B and resid 30 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 29 and name HN )) ((segid B and resid 32 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 29 and name HN )) ((segid B and resid 32 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 29 and name HN )) ((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 33 and name HB# )) 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 HB# )) ((segid B and resid 32 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 30 and name HB# )) ((segid B and resid 33 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 30 and name HB# )) ((segid B and resid 33 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 30 and name HD# )) ((segid B and resid 32 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 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 HN )) ((segid B and resid 32 and name HB# )) 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 34 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 HE# )) 1.80 0.00 3.20
assign ((segid B and resid 32 and name HD1# )) ((segid B and resid 35 and name HG# )) 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 HN )) 1.80 0.00 3.20
assign ((segid B and resid 32 and name HN )) ((segid B and resid 33 and name HB# )) 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 1.10
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 HB# )) 1.80 0.00 3.20
assign ((segid B and resid 32 and name HN )) ((segid B and resid 35 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 33 and name HA )) ((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 HN )) 1.80 0.00 3.20
assign ((segid B and resid 33 and name HA )) ((segid B and resid 37 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 33 and name HB# )) ((segid B and resid 34 and name HG )) 1.80 0.00 3.20
assign ((segid B and resid 33 and name HB# )) ((segid B and resid 37 and name HD1# )) 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 34 and name HN )) 1.80 0.00 1.70
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 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 HN )) ((segid B and resid 35 and name HB# )) 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 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 HD2# )) 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 HG1 )) ((segid B and resid 39 and name HD2# )) 1.80 0.00 3.20
assign ((segid B and resid 35 and name HG2 )) ((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 36 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 35 and name HG# )) ((segid B and resid 39 and name HN )) 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 HB1 )) 1.80 0.00 3.20
assign ((segid B and resid 36 and name HA )) ((segid B and resid 39 and name HB2 )) 1.80 0.00 3.20
assign ((segid B and resid 36 and name HA )) ((segid B and resid 39 and name HD2# )) 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 HA )) ((segid B and resid 40 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 HN )) 1.80 0.00 3.20
assign ((segid B and resid 36 and name HN )) ((segid B and resid 37 and name HN )) 1.80 0.00 1.10
assign ((segid B and resid 36 and name HN )) ((segid B and resid 38 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 HG2# )) 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 HG2# )) 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 HD2# )) ((segid B and resid 40 and name HB# )) 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 HA1 )) ((segid B and resid 41 and name HN )) 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 HA2 )) ((segid B and resid 41 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 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 1.10
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 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 HN )) 1.80 0.00 3.20
assign ((segid B and resid 39 and name HB# )) ((segid B and resid 40 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 39 and name HB# )) ((segid B and resid 41 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 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 1.10
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 39 and name HN )) ((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 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 HN )) 1.80 0.00 3.20
assign ((segid B and resid 40 and name HA )) ((segid B and resid 44 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 40 and name HB# )) ((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 HB )) 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 43 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HA )) ((segid B and resid 43 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 HB )) 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 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 HG11 )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG1# )) ((segid B and resid 45 and name HG12 )) 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 60 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG1# )) ((segid B and resid 60 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG1# )) ((segid B and resid 60 and name HZ )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG2# )) ((segid B and resid 60 and name HE# )) 1.80 0.00 3.20
assign ((segid B and resid 41 and name HG2# )) ((segid B and resid 60 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 HB )) 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 HN )) 1.80 0.00 3.20
assign ((segid B and resid 42 and name HN )) ((segid B and resid 43 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 42 and name HN )) ((segid B and resid 43 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 42 and name HN )) ((segid B and resid 44 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 HB# )) 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 HN )) ((segid B and resid 45 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 44 and name HA )) ((segid B and resid 46 and name HN )) 1.80 0.00 3.20
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 HE21 )) 1.80 0.00 3.20
assign ((segid B and resid 44 and name HA )) ((segid B and resid 47 and name HE22 )) 1.80 0.00 3.20
assign ((segid B and resid 44 and name HA )) ((segid B and resid 47 and name HG# )) 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 HD1# )) ((segid B and resid 47 and name HE21 )) 1.80 0.00 3.20
assign ((segid B and resid 44 and name HD1# )) ((segid B and resid 47 and name HE22 )) 1.80 0.00 3.20
assign ((segid B and resid 44 and name HG2# )) ((segid B and resid 46 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 44 and name HG2# )) ((segid B and resid 47 and name HE22 )) 1.80 0.00 3.20
assign ((segid B and resid 44 and name HG2# )) ((segid B and resid 47 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 1.10
assign ((segid B and resid 45 and name HA )) ((segid B and resid 47 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HA )) ((segid B and resid 48 and name HG2# )) 1.80 0.00 3.20
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 HB )) ((segid B and resid 47 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HD1# )) ((segid B and resid 56 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HD1# )) ((segid B and resid 56 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HD1# )) ((segid B and resid 57 and name HA )) 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 HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HD1# )) ((segid B and resid 57 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HD1# )) ((segid B and resid 60 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HG1# )) ((segid B and resid 57 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HG2# )) ((segid B and resid 46 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HG2# )) ((segid B and resid 46 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HG2# )) ((segid B and resid 47 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HG2# )) ((segid B and resid 48 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HG2# )) ((segid B and resid 53 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HG2# )) ((segid B and resid 53 and name HB1 )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HG2# )) ((segid B and resid 53 and name HB2 )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HG2# )) ((segid B and resid 53 and name HD1 )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HG2# )) ((segid B and resid 53 and name HD2 )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HG2# )) ((segid B and resid 53 and name HE )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HG2# )) ((segid B and resid 53 and name HG1 )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HG2# )) ((segid B and resid 53 and name HG2 )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HG2# )) ((segid B and resid 54 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HG2# )) ((segid B and resid 56 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HG2# )) ((segid B and resid 56 and name HG1# )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HG2# )) ((segid B and resid 56 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HG2# )) ((segid B and resid 57 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 45 and name HG2# )) ((segid B and resid 57 and name HG2# )) 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 1.10
assign ((segid B and resid 45 and name HN )) ((segid B and resid 47 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 46 and name HA )) ((segid B and resid 48 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 46 and name HA )) ((segid B and resid 48 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 46 and name HA )) ((segid B and resid 53 and name HE )) 1.80 0.00 3.20
assign ((segid B and resid 46 and name HB# )) ((segid B and resid 47 and name HE21 )) 1.80 0.00 3.20
assign ((segid B and resid 46 and name HB# )) ((segid B and resid 47 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 46 and name HB# )) ((segid B and resid 48 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 46 and name HN )) ((segid B and resid 47 and name HE2# )) 1.80 0.00 3.20
assign ((segid B and resid 46 and name HN )) ((segid B and resid 47 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 1.10
assign ((segid B and resid 47 and name HN )) ((segid B and resid 48 and name HG2# )) 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 1.10
assign ((segid B and resid 48 and name HA )) ((segid B and resid 49 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 48 and name HA )) ((segid B and resid 49 and name HD1 )) 1.80 0.00 1.20
assign ((segid B and resid 48 and name HA )) ((segid B and resid 49 and name HD2 )) 1.80 0.00 1.20
assign ((segid B and resid 48 and name HA )) ((segid B and resid 49 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 48 and name HB )) ((segid B and resid 49 and name HD1 )) 1.80 0.00 3.20
assign ((segid B and resid 48 and name HB )) ((segid B and resid 49 and name HD2 )) 1.80 0.00 3.20
assign ((segid B and resid 48 and name HB )) ((segid B and resid 53 and name HE )) 1.80 0.00 3.20
assign ((segid B and resid 48 and name HG1# )) ((segid B and resid 49 and name HD1 )) 1.80 0.00 3.20
assign ((segid B and resid 48 and name HG1# )) ((segid B and resid 49 and name HD2 )) 1.80 0.00 3.20
assign ((segid B and resid 48 and name HG1# )) ((segid B and resid 52 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 48 and name HG1# )) ((segid B and resid 52 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 48 and name HG1# )) ((segid B and resid 53 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 48 and name HG1# )) ((segid B and resid 56 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 48 and name HG2# )) ((segid B and resid 53 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 48 and name HG2# )) ((segid B and resid 53 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 48 and name HG# )) ((segid B and resid 52 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 48 and name HG# )) ((segid B and resid 53 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 48 and name HN )) ((segid B and resid 53 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 49 and name HA )) ((segid B and resid 53 and name HE )) 1.80 0.00 3.20
assign ((segid B and resid 49 and name HB1 )) ((segid B and resid 51 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 49 and name HB2 )) ((segid B and resid 51 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 49 and name HB# )) ((segid B and resid 51 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 49 and name HB# )) ((segid B and resid 52 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 49 and name HB# )) ((segid B and resid 52 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 49 and name HD1 )) ((segid B and resid 52 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 49 and name HD2 )) ((segid B and resid 52 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 49 and name HG# )) ((segid B and resid 52 and name HG# )) 1.80 0.00 3.20
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 HA )) ((segid B and resid 53 and name HB1 )) 1.80 0.00 3.20
assign ((segid B and resid 50 and name HA )) ((segid B and resid 53 and name HB2 )) 1.80 0.00 3.20
assign ((segid B and resid 50 and name HA )) ((segid B and resid 53 and name HD1 )) 1.80 0.00 3.20
assign ((segid B and resid 50 and name HA )) ((segid B and resid 53 and name HD2 )) 1.80 0.00 3.20
assign ((segid B and resid 50 and name HA )) ((segid B and resid 53 and name HE )) 1.80 0.00 3.20
assign ((segid B and resid 50 and name HA )) ((segid B and resid 53 and name HG# )) 1.80 0.00 3.20
assign ((segid B and resid 50 and name HA )) ((segid B and resid 53 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 HG# )) ((segid B and resid 53 and name HE )) 1.80 0.00 3.20
assign ((segid B and resid 50 and name HG# )) ((segid B and resid 53 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 50 and name HN )) ((segid B and resid 51 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 50 and name HN )) ((segid B and resid 51 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 50 and name HN )) ((segid B and resid 52 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 50 and name HN )) ((segid B and resid 53 and name HD# )) 1.80 0.00 3.20
assign ((segid B and resid 50 and name HN )) ((segid B and resid 53 and name HE )) 1.80 0.00 3.20
assign ((segid B and resid 50 and name HN )) ((segid B and resid 53 and name HH1# )) 1.80 0.00 3.20
assign ((segid B and resid 50 and name HN )) ((segid B and resid 53 and name HH2# )) 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 HN )) ((segid B and resid 52 and name HG# )) 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 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 HB# )) 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 HB# )) ((segid B and resid 55 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 52 and name HB# )) ((segid B and resid 56 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 52 and name HG# )) ((segid B and resid 56 and name HG2# )) 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 1.10
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 HG2# )) 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 HN )) 1.80 0.00 3.20
assign ((segid B and resid 53 and name HB# )) ((segid B and resid 54 and name HG2# )) 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 57 and name HB )) 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 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 HB )) ((segid B and resid 55 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 54 and name HG1# )) ((segid B and resid 55 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 54 and name HG1# )) ((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 HB# )) 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 55 and name HA )) ((segid B and resid 57 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 HB1 )) 1.80 0.00 3.20
assign ((segid B and resid 55 and name HA )) ((segid B and resid 58 and name HB2 )) 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 HA )) ((segid B and resid 59 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 55 and name HB# )) ((segid B and resid 56 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 55 and name HB# )) ((segid B and resid 58 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 HB1 )) 1.80 0.00 3.20
assign ((segid B and resid 56 and name HA )) ((segid B and resid 59 and name HB2 )) 1.80 0.00 3.20
assign ((segid B and resid 56 and name HA )) ((segid B and resid 59 and name HD22 )) 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 HN )) ((segid B and resid 57 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 56 and name HN )) ((segid B and resid 58 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 HD# )) 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 HG2# )) ((segid B and resid 60 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 57 and name HG2# )) ((segid B and resid 61 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 57 and name HG2# )) ((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 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 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 HN )) 1.80 0.00 1.70
assign ((segid B and resid 58 and name HN )) ((segid B and resid 60 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 58 and name HN )) ((segid B and resid 60 and name HN )) 1.80 0.00 3.20
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 HD# )) 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 61 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 59 and name HB# )) ((segid B and resid 63 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 59 and name HN )) ((segid B and resid 60 and name HB# )) 1.80 0.00 3.20
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 59 and name HN )) ((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 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 HB# )) 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 HD# )) ((segid B and resid 61 and name HA )) 1.80 0.00 3.20
assign ((segid B and resid 60 and name HE# )) ((segid B and resid 64 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 60 and name HN )) ((segid B and resid 61 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 60 and name HN )) ((segid B and resid 62 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 60 and name HZ )) ((segid B and resid 64 and name HD1# )) 1.80 0.00 3.20
assign ((segid B and resid 61 and name HA )) ((segid B and resid 63 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 HD1# )) 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 HG2# )) ((segid B and resid 64 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 1.10
assign ((segid B and resid 61 and name HN )) ((segid B and resid 63 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 61 and name HN )) ((segid B and resid 64 and name HB# )) 1.80 0.00 3.20
assign ((segid B and resid 62 and name HA )) ((segid B and resid 64 and name HN )) 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 64 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 62 and name HN )) ((segid B and resid 63 and name HB# )) 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 1.10
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 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 HB# )) ((segid B and resid 66 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 64 and name HB# )) ((segid B and resid 67 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 65 and name HA )) ((segid B and resid 67 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 65 and name HA )) ((segid B and resid 68 and name HB )) 1.80 0.00 3.20
assign ((segid B and resid 65 and name HA )) ((segid B and resid 68 and name HG2# )) 1.80 0.00 3.20
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 HA )) ((segid B and resid 69 and name HN )) 1.80 0.00 3.20
assign ((segid B and resid 65 and name HB# )) ((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 HD1# )) 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 HN )) ((segid B and resid 67 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 67 and name HA )) ((segid B and resid 70 and name HB# )) 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 68 and name HG2# )) 1.80 0.00 3.20
assign ((segid B and resid 67 and name HN )) ((segid B and resid 68 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 70 and name HA )) ((segid B and resid 71 and name HN )) 1.80 0.00 1.70
assign ((segid B and resid 70 and name HN )) ((segid B and resid 71 and name HB# )) 1.80 0.00 3.20
list of removed NOE constraints
66-> LEU A 19 HD1# - CYS B 36 HB# 1.80 5.00 # Duplicated ( 65)
250-> LEU B 19 HD1# - CYS A 36 HB# 1.80 5.00 # Duplicated ( 249)
====== TOTAL ======: 2
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 : 46 42 52 45 43 56 42 52 39 52 47 45 43 39 42 53 54 49 54 46 47.05
Minimum Violation : 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
Maximum Violation : 0.019 0.020 0.021 0.019 0.020 0.035 0.015 0.023 0.024 0.016 0.016 0.019 0.016 0.016 0.022 0.022 0.016 0.023 0.030 0.017 0.035
Max Inter Viol : 0.019 0.013 0.021 0.013 0.013 0.016 0.011 0.011 0.015 0.011 0.012 0.019 0.011 0.016 0.016 0.012 0.013 0.023 0.013 0.007 0.023
Max Seque Viol : 0.011 0.004 0.004 0.019 0.009 0.035 0.015 0.015 0.013 0.016 0.008 0.006 0.002 0.003 0.000 0.004 0.005 0.007 0.010 0.014 0.035
Max Medium Viol : 0.019 0.020 0.013 0.016 0.020 0.020 0.014 0.023 0.024 0.014 0.016 0.019 0.016 0.016 0.015 0.022 0.016 0.023 0.030 0.017 0.030
Max Long Viol : 0.006 0.011 0.007 0.008 0.003 0.012 0.000 0.010 0.010 0.007 0.007 0.005 0.009 0.008 0.022 0.017 0.010 0.012 0.020 0.012 0.022
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 0.00017
Avge Inter 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 0.00018
Avge Seque Viol : 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.000 0.001 0.001 0.001 0.000 0.000 0.001 0.001 0.001 0.001 0.001 0.001 0.00073
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 0.00002
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 0.00023
RMS Violation : 0.001 0.001 0.001 0.001 0.001 0.002 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.002 0.001 0.00128
RMS Inter : 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.002 0.001 0.002 0.001 0.001 0.001 0.001 0.001 0.001 0.00124
RMS Sequential : 0.002 0.002 0.002 0.003 0.003 0.003 0.002 0.003 0.002 0.002 0.003 0.003 0.002 0.002 0.002 0.003 0.003 0.003 0.004 0.003 0.00264
RMS Medium range : 0.001 0.000 0.000 0.001 0.000 0.001 0.001 0.001 0.000 0.001 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.001 0.00050
RMS Long range : 0.001 0.002 0.001 0.001 0.000 0.002 0.000 0.001 0.002 0.001 0.001 0.001 0.001 0.001 0.003 0.002 0.001 0.002 0.002 0.002 0.00143
Final --global-- Summary for 20 models, 1510 NOEs/model, 30200 NOEs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ of viol : 5.263
Summ sq. viol : 0.049
Maximum viol : 0.035
Average viol : 0.00017
RMSD viol : 0.00128
Std. Dev. viol : 0.00127
RMS Inter : 0.00124
RMS Seque : 0.00264
RMS Medi : 0.00050
RMS Long : 0.00143
table of dihedral angle constraints violations
---- 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 0 0.00
> 10. degrees : 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00
Total : 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00
Minimum Violation : 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.00
Maximum Violation : 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.00
Max PHI Viol : 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.00
Max PSI Viol : 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.00
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 0.000
Avge PHI 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 0.000
Avge PSI 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 0.000
RMS 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
RMS PHI 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 0.000
RMS PSI 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 0.000
Final --global-- Summary for 20 models, 212 ACOs/model, 4240 ACOs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ. Viol. : 0.00
Summ. Sq. Viol. : 0.00
Max. Viol. : 0.000
Avg. Viol. : 0.00000
RMS Viol. : 0.00000
Std. Dev. Viol. : 0.00000
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 0.679 0.532 0.167 0.672
PRO M 2 0.990 0.599 0.940 0.872
ILE M 3 0.710 0.714 0.232 0.572
VAL M 4 0.765 0.368 0.521
SER M 5 0.365 0.220 0.607
LYS M 6 0.345 0.728 0.566 0.775 0.377 0.247
TYR M 7 0.138 0.820 0.721 0.435
SER M 8 0.901 0.956 0.155 8 8
ASN M 9 0.999 0.995 0.405 0.331 9 9
GLU M 10 0.998 0.993 0.478 0.405 0.317 10 10
ARG M 11 0.995 0.997 0.994 0.931 0.990 0.648 0.998 11 11
VAL M 12 0.999 0.998 0.999 12 12
GLU M 13 0.994 0.991 0.643 0.740 0.288 13 13
LYS M 14 0.995 0.990 0.826 0.894 0.920 0.085 14 14
ILE M 15 0.999 0.999 0.999 0.999 15 15
ILE M 16 1.000 0.999 1.000 0.999 16 16
GLN M 17 0.999 0.998 0.997 0.999 0.762 17 17
ASP M 18 0.996 0.998 0.836 0.585 18 18
LEU M 19 0.999 0.998 0.999 0.999 19 19
LEU M 20 1.000 0.997 0.999 1.000 20 20
ASP M 21 0.998 0.998 0.738 0.476 21 21
VAL M 22 0.999 0.999 0.999 22 22
LEU M 23 0.998 0.997 0.999 1.000 23 23
VAL M 24 0.996 0.996 0.772 24 24
LYS M 25 0.996 0.989 0.751 0.919 0.378 0.293 25 25
GLU M 26 0.993 0.993 0.995 0.997 0.711 26 26
GLU M 27 0.996 0.988 0.908 0.621 0.353 27 27
VAL M 28 0.989 0.982 0.999 28 28
THR M 29 0.993 0.993 0.762 29 29
PRO M 30 0.996 0.995 0.967 0.923 30 30
ASP M 31 0.997 0.996 0.336 0.426 31 31
LEU M 32 0.999 0.999 0.999 0.999 32 32
ALA M 33 1.000 0.997 33 33
LEU M 34 0.999 0.998 0.999 1.000 34 34
MET M 35 0.999 0.996 0.999 1.000 0.999 35 35
CYS M 36 0.997 0.999 0.999 36 36
LEU M 37 1.000 0.997 1.000 1.000 37 37
GLY M 38 0.999 0.996 38 38
ASN M 39 0.999 0.998 0.786 0.908 39 39
ALA M 40 1.000 0.998 40 40
VAL M 41 0.999 0.998 1.000 41 41
THR M 42 0.997 0.991 0.813 42 42
ASN M 43 0.993 0.993 0.799 0.787 43 43
ILE M 44 0.991 0.990 0.768 0.694 44 44
ILE M 45 0.999 0.996 0.998 0.999 45 45
ALA M 46 0.996 0.995 46 46
GLN M 47 0.996 0.985 0.999 0.999 1.000 47 47
VAL M 48 0.984 0.982 0.746 48 48
PRO M 49 0.995 0.993 0.942 0.872 49 49
GLU M 50 0.988 0.985 0.576 0.425 0.325 50 50
SER M 51 0.996 0.992 0.657 51 51
LYS M 52 0.968 0.978 0.771 0.927 0.281 0.372 52 52
ARG M 53 0.991 0.996 0.882 0.974 0.511 0.842 0.995 53 53
VAL M 54 0.996 0.997 0.999 54 54
ALA M 55 0.998 0.998 55 55
VAL M 56 0.999 0.998 0.852 56 56
VAL M 57 0.999 0.999 0.999 57 57
ASP M 58 0.998 0.996 0.842 0.421 58 58
ASN M 59 0.997 0.998 0.939 0.831 59 59
PHE M 60 0.999 0.999 0.998 0.994 60 60
THR M 61 0.999 0.999 0.998 61 61
LYS M 62 0.999 0.997 0.987 0.782 0.472 0.254 62 62
ALA M 63 0.998 0.997 63 63
LEU M 64 0.998 0.994 0.903 0.993 64 64
LYS M 65 0.998 0.994 0.992 0.930 0.375 0.497 65 65
GLN M 66 0.997 0.984 0.358 0.582 0.367 66 66
SER M 67 0.991 0.977 0.393 67 67
VAL M 68 0.981 0.994 0.999 68 68
LEU M 69 0.992 0.961 0.893 0.673 69 69
GLU M 70 0.950 0.468 0.433 0.265 0.272
HIS M 71 0.673 0.509 0.805 0.350
HIS M 72 0.506 0.077 0.317 0.262
HIS M 73 0.568 0.438 0.570 0.402
HIS M 74 0.705 0.455 0.311 0.235
HIS M 75 0.667 0.179 0.439 0.438
HIS M 76 0.796 0.688 0.562 0.340
MET M 87 0.428 0.580 0.633 0.567 0.431
PRO M 88 0.986 0.290 0.951 0.886
ILE M 89 0.819 0.608 0.267 0.583
VAL M 90 0.694 0.421 0.056
SER M 91 0.696 0.307 0.305
LYS M 92 0.838 0.740 0.455 0.643 0.500 0.226
TYR M 93 0.261 0.893 0.831 0.506
SER M 94 0.906 0.962 0.268 94 94
ASN M 95 0.998 0.990 0.195 0.195 95 95
GLU M 96 0.997 0.991 0.427 0.386 0.431 96 96
ARG M 97 0.995 0.996 0.989 0.991 0.930 0.687 0.998 97 97
VAL M 98 0.999 0.997 0.999 98 98
GLU M 99 0.996 0.992 0.594 0.615 0.388 99 99
LYS M 100 0.995 0.992 0.926 0.807 0.653 0.186 100 100
ILE M 101 0.998 0.999 0.999 1.000 101 101
ILE M 102 1.000 0.999 0.999 0.999 102 102
GLN M 103 0.999 0.996 0.993 0.834 0.721 103 103
ASP M 104 0.998 0.997 0.809 0.515 104 104
LEU M 105 0.999 0.999 0.999 0.999 105 105
LEU M 106 0.999 0.997 0.999 0.999 106 106
ASP M 107 0.998 0.996 0.689 0.357 107 107
VAL M 108 0.997 0.998 0.999 108 108
LEU M 109 0.996 0.991 0.849 0.884 109 109
VAL M 110 0.994 0.993 0.627 110 110
LYS M 111 0.994 0.991 0.615 0.959 0.702 0.365 111 111
GLU M 112 0.995 0.996 0.991 0.995 0.876 112 112
GLU M 113 0.998 0.984 0.992 0.991 0.350 113 113
VAL M 114 0.992 0.988 0.999 114 114
THR M 115 0.988 0.992 0.666 115 115
PRO M 116 0.996 0.997 0.979 0.954 116 116
ASP M 117 0.998 0.995 0.424 0.722 117 117
LEU M 118 0.999 0.999 0.998 0.999 118 118
ALA M 119 0.999 0.997 119 119
LEU M 120 1.000 0.998 1.000 1.000 120 120
MET M 121 0.999 0.997 0.999 0.999 0.999 121 121
CYS M 122 0.996 0.999 0.928 122 122
LEU M 123 0.999 0.997 1.000 0.999 123 123
GLY M 124 0.999 0.996 124 124
ASN M 125 0.999 0.995 0.787 0.865 125 125
ALA M 126 0.998 0.996 126 126
VAL M 127 0.996 0.998 1.000 127 127
THR M 128 0.997 0.994 0.729 128 128
ASN M 129 0.993 0.990 0.943 0.579 129 129
ILE M 130 0.988 0.992 0.878 0.698 130 130
ILE M 131 0.999 0.998 0.998 1.000 131 131
ALA M 132 0.997 0.995 132 132
GLN M 133 0.996 0.984 0.998 0.999 1.000 133 133
VAL M 134 0.988 0.984 0.682 134 134
PRO M 135 0.991 0.988 0.936 0.881 135 135
GLU M 136 0.995 0.991 0.636 0.773 0.551 136 136
SER M 137 0.994 0.985 0.719 137 137
LYS M 138 0.983 0.984 0.858 0.871 0.529 0.530 138 138
ARG M 139 0.998 0.995 0.737 0.927 0.556 0.853 0.999 139 139
VAL M 140 0.997 0.999 1.000 140 140
ALA M 141 0.998 0.999 141 141
VAL M 142 0.999 0.997 0.780 142 142
VAL M 143 0.998 0.999 0.999 143 143
ASP M 144 0.999 0.999 0.929 0.716 144 144
ASN M 145 0.997 0.997 0.793 0.487 145 145
PHE M 146 0.999 0.999 0.998 0.995 146 146
THR M 147 0.999 0.999 0.998 147 147
LYS M 148 0.998 0.996 0.953 0.724 0.466 0.272 148 148
ALA M 149 0.999 0.997 149 149
LEU M 150 0.996 0.993 0.837 0.992 150 150
LYS M 151 0.997 0.989 0.971 0.983 0.474 0.293 151 151
GLN M 152 0.995 0.987 0.569 0.338 0.328 152 152
SER M 153 0.991 0.993 0.313 153 153
VAL M 154 0.986 0.996 0.999 154 154
LEU M 155 0.995 0.968 0.832 0.872 155 155
GLU M 156 0.961 0.557 0.659 0.211 0.318
HIS M 157 0.400 0.387 0.675 0.433
HIS M 158 0.572 0.549 0.294 0.335
HIS M 159 0.653 0.588 0.314 0.272
HIS M 160 0.336 0.465 0.231 0.397
HIS M 161 0.610 0.496 0.420 0.162
HIS M 162 0.797 0.204 0.191
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 `CSR4_NMR_em_bcr3.pdb'
>
> Kabsch RMSD of backbone atoms in res. M[8..69],M[94..155],for model 1 is: 0.337 (*)
> Kabsch RMSD of backbone atoms in res. M[8..69],M[94..155],for model 2 is: 0.571
> Kabsch RMSD of backbone atoms in res. M[8..69],M[94..155],for model 3 is: 0.622
> Kabsch RMSD of backbone atoms in res. M[8..69],M[94..155],for model 4 is: 0.430
> Kabsch RMSD of backbone atoms in res. M[8..69],M[94..155],for model 5 is: 0.575
> Kabsch RMSD of backbone atoms in res. M[8..69],M[94..155],for model 6 is: 0.534
> Kabsch RMSD of backbone atoms in res. M[8..69],M[94..155],for model 7 is: 0.399
> Kabsch RMSD of backbone atoms in res. M[8..69],M[94..155],for model 8 is: 0.377
> Kabsch RMSD of backbone atoms in res. M[8..69],M[94..155],for model 9 is: 0.547
> Kabsch RMSD of backbone atoms in res. M[8..69],M[94..155],for model 10 is: 0.477
> Kabsch RMSD of backbone atoms in res. M[8..69],M[94..155],for model 11 is: 0.606
> Kabsch RMSD of backbone atoms in res. M[8..69],M[94..155],for model 12 is: 0.530
> Kabsch RMSD of backbone atoms in res. M[8..69],M[94..155],for model 13 is: 0.550
> Kabsch RMSD of backbone atoms in res. M[8..69],M[94..155],for model 14 is: 0.449
> Kabsch RMSD of backbone atoms in res. M[8..69],M[94..155],for model 15 is: 0.402
> Kabsch RMSD of backbone atoms in res. M[8..69],M[94..155],for model 16 is: 0.408
> Kabsch RMSD of backbone atoms in res. M[8..69],M[94..155],for model 17 is: 0.447
> Kabsch RMSD of backbone atoms in res. M[8..69],M[94..155],for model 18 is: 0.486
> Kabsch RMSD of backbone atoms in res. M[8..69],M[94..155],for model 19 is: 0.631
> Kabsch RMSD of backbone atoms in res. M[8..69],M[94..155],for model 20 is: 0.497
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[8..69],[94..155], is: 0.494
> Range of RMSD values to reference struct. is 0.337 to 0.631
> Kabsch RMSD of heavy atoms in res. M[8..69],M[94..155],for model 1 is: 0.681 (*)
> Kabsch RMSD of heavy atoms in res. M[8..69],M[94..155],for model 2 is: 0.893
> Kabsch RMSD of heavy atoms in res. M[8..69],M[94..155],for model 3 is: 0.919
> Kabsch RMSD of heavy atoms in res. M[8..69],M[94..155],for model 4 is: 0.801
> Kabsch RMSD of heavy atoms in res. M[8..69],M[94..155],for model 5 is: 0.950
> Kabsch RMSD of heavy atoms in res. M[8..69],M[94..155],for model 6 is: 0.907
> Kabsch RMSD of heavy atoms in res. M[8..69],M[94..155],for model 7 is: 0.737
> Kabsch RMSD of heavy atoms in res. M[8..69],M[94..155],for model 8 is: 0.807
> Kabsch RMSD of heavy atoms in res. M[8..69],M[94..155],for model 9 is: 0.851
> Kabsch RMSD of heavy atoms in res. M[8..69],M[94..155],for model 10 is: 0.826
> Kabsch RMSD of heavy atoms in res. M[8..69],M[94..155],for model 11 is: 0.990
> Kabsch RMSD of heavy atoms in res. M[8..69],M[94..155],for model 12 is: 0.917
> Kabsch RMSD of heavy atoms in res. M[8..69],M[94..155],for model 13 is: 0.803
> Kabsch RMSD of heavy atoms in res. M[8..69],M[94..155],for model 14 is: 0.837
> Kabsch RMSD of heavy atoms in res. M[8..69],M[94..155],for model 15 is: 0.777
> Kabsch RMSD of heavy atoms in res. M[8..69],M[94..155],for model 16 is: 0.801
> Kabsch RMSD of heavy atoms in res. M[8..69],M[94..155],for model 17 is: 0.795
> Kabsch RMSD of heavy atoms in res. M[8..69],M[94..155],for model 18 is: 0.830
> Kabsch RMSD of heavy atoms in res. M[8..69],M[94..155],for model 19 is: 0.971
> Kabsch RMSD of heavy atoms in res. M[8..69],M[94..155],for model 20 is: 0.837
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[8..69],[94..155], is: 0.847
> Range of RMSD values to reference struct. is 0.681 to 0.990
Text report of backbone RMSD for entire protein
> Kabsch RMSD of backb atoms in res. *[1..162],for model 1 is: 2.472
> Kabsch RMSD of backb atoms in res. *[1..162],for model 2 is: 2.799
> Kabsch RMSD of backb atoms in res. *[1..162],for model 3 is: 2.132
> Kabsch RMSD of backb atoms in res. *[1..162],for model 4 is: 2.585
> Kabsch RMSD of backb atoms in res. *[1..162],for model 5 is: 1.755
> Kabsch RMSD of backb atoms in res. *[1..162],for model 6 is: 2.073
> Kabsch RMSD of backb atoms in res. *[1..162],for model 7 is: 2.337
> Kabsch RMSD of backb atoms in res. *[1..162],for model 8 is: 2.452
> Kabsch RMSD of backb atoms in res. *[1..162],for model 9 is: 2.948
> Kabsch RMSD of backb atoms in res. *[1..162],for model 10 is: 1.885
> Kabsch RMSD of backb atoms in res. *[1..162],for model 11 is: 1.567 (*)
> Kabsch RMSD of backb atoms in res. *[1..162],for model 12 is: 2.277
> Kabsch RMSD of backb atoms in res. *[1..162],for model 13 is: 2.274
> Kabsch RMSD of backb atoms in res. *[1..162],for model 14 is: 1.588
> Kabsch RMSD of backb atoms in res. *[1..162],for model 15 is: 2.414
> Kabsch RMSD of backb atoms in res. *[1..162],for model 16 is: 2.205
> Kabsch RMSD of backb atoms in res. *[1..162],for model 17 is: 2.462
> Kabsch RMSD of backb atoms in res. *[1..162],for model 18 is: 2.181
> Kabsch RMSD of backb atoms in res. *[1..162],for model 19 is: 2.648
> Kabsch RMSD of backb atoms in res. *[1..162],for model 20 is: 2.951
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..162], is: 2.300
> Range of RMSD values to reference struct. is 1.567 to 2.951
Text report of heavy atom RMSD for entire protein
> Kabsch RMSD of heavy atoms in res. *[1..162],for model 1 is: 2.941
> Kabsch RMSD of heavy atoms in res. *[1..162],for model 2 is: 3.219
> Kabsch RMSD of heavy atoms in res. *[1..162],for model 3 is: 2.652
> Kabsch RMSD of heavy atoms in res. *[1..162],for model 4 is: 3.104
> Kabsch RMSD of heavy atoms in res. *[1..162],for model 5 is: 2.377
> Kabsch RMSD of heavy atoms in res. *[1..162],for model 6 is: 2.726
> Kabsch RMSD of heavy atoms in res. *[1..162],for model 7 is: 2.952
> Kabsch RMSD of heavy atoms in res. *[1..162],for model 8 is: 3.166
> Kabsch RMSD of heavy atoms in res. *[1..162],for model 9 is: 3.437
> Kabsch RMSD of heavy atoms in res. *[1..162],for model 10 is: 2.397
> Kabsch RMSD of heavy atoms in res. *[1..162],for model 11 is: 2.230
> Kabsch RMSD of heavy atoms in res. *[1..162],for model 12 is: 2.932
> Kabsch RMSD of heavy atoms in res. *[1..162],for model 13 is: 2.678
> Kabsch RMSD of heavy atoms in res. *[1..162],for model 14 is: 2.205 (*)
> Kabsch RMSD of heavy atoms in res. *[1..162],for model 15 is: 2.965
> Kabsch RMSD of heavy atoms in res. *[1..162],for model 16 is: 2.785
> Kabsch RMSD of heavy atoms in res. *[1..162],for model 17 is: 2.942
> Kabsch RMSD of heavy atoms in res. *[1..162],for model 18 is: 2.687
> Kabsch RMSD of heavy atoms in res. *[1..162],for model 19 is: 3.063
> Kabsch RMSD of heavy atoms in res. *[1..162],for model 20 is: 3.572
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..162], is: 2.851
> Range of RMSD values to reference struct. is 2.205 to 3.572
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 2.3 0.5 0.5
All heavy atoms 2.9 0.8 0.8
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 >>>----------+
| |
| CSR4_NMR_em_bcr3_020.rin 0.0 2480 residues |
| |
| Ramachandran plot: 98.2% core 1.8% allow 0.0% gener 0.0% disall |
| |
+| All Ramachandrans: 2 labelled residues (out of2480) |
+| Chi1-chi2 plots: 6 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
8 -0.35
9 0.96
10 0.76
11 0.85
12 0.80
13 0.77
14 0.95
15 0.94
16 0.88
17 1.10
18 1.18
19 1.00
20 0.98
21 1.17
22 0.93
23 1.02
24 0.34
25 0.93
26 -0.53
27 -1.84
28 -1.04
29 -0.30
30 -0.54
31 0.95
32 1.06
33 0.50
34 0.99
35 1.03
36 0.67
37 0.96
38 0.99
39 1.11
40 0.86
41 0.82
42 0.72
43 1.03
44 0.14
45 -0.09
46 -0.20
47 -0.39
48 -0.45
49 0.25
50 -0.09
51 0.61
52 -1.49
53 0.78
54 0.49
55 0.57
56 0.81
57 0.42
58 0.88
59 1.20
60 0.84
61 1.05
62 0.92
63 0.82
64 0.10
65 0.98
66 0.82
67 0.46
68 -0.37
69 0.40
94 -0.62
95 0.94
96 0.54
97 0.76
98 0.71
99 0.77
100 0.87
101 0.90
102 0.84
103 1.06
104 1.19
105 1.05
106 0.98
107 1.11
108 0.88
109 0.86
110 0.03
111 0.86
112 -0.54
113 -1.86
114 -1.12
115 -0.35
116 -0.70
117 0.95
118 1.04
119 0.50
120 1.04
121 1.00
122 0.69
123 0.91
124 1.02
125 1.12
126 0.76
127 0.75
128 0.70
129 0.91
130 0.21
131 -0.11
132 -0.17
133 -0.39
134 -0.55
135 -0.26
136 0.29
137 0.67
138 -1.24
139 0.97
140 0.52
141 0.46
142 0.80
143 0.44
144 0.91
145 1.20
146 0.91
147 1.02
148 0.62
149 0.86
150 0.27
151 0.90
152 0.79
153 0.71
154 0.31
155 0.41
#Reported_Model_Average 0.510
#Overall_Average_Reported 0.510
Procheck G-factors for all dihedral angles for each residue
JPEG image for residue all dihedral G-factors
Table of Procheck G-factors for all dihedrals for ordered residues
#alldih_gfactor
#Residue\Model average
8 -0.29
9 0.10
10 0.43
11 0.73
12 0.66
13 0.78
14 0.61
15 0.83
16 0.81
17 0.56
18 -0.06
19 0.95
20 0.93
21 0.07
22 0.79
23 0.95
24 0.31
25 0.56
26 -0.09
27 -0.76
28 -0.65
29 -0.35
30 -0.54
31 -0.26
32 0.77
33 0.50
34 0.93
35 0.66
36 0.58
37 0.94
38 0.99
39 0.28
40 0.86
41 0.64
42 0.52
43 0.47
44 0.01
45 0.25
46 -0.20
47 0.23
48 -0.25
49 0.25
50 -0.14
51 0.27
52 -0.80
53 0.64
54 0.39
55 0.57
56 0.34
57 -0.29
58 -0.13
59 0.80
60 0.63
61 0.32
62 0.65
63 0.82
64 -0.17
65 1.00
66 0.36
67 0.15
68 0.18
69 0.30
94 -0.41
95 0.10
96 0.17
97 0.65
98 0.70
99 0.58
100 0.46
101 0.84
102 0.76
103 0.48
104 -0.01
105 0.97
106 0.93
107 0.19
108 0.70
109 0.71
110 0.01
111 0.48
112 -0.20
113 -0.53
114 -0.83
115 -0.44
116 -0.70
117 -0.15
118 0.75
119 0.50
120 0.96
121 0.66
122 0.67
123 0.91
124 1.02
125 0.16
126 0.76
127 0.71
128 0.40
129 0.27
130 0.09
131 0.23
132 -0.17
133 0.19
134 -0.30
135 -0.26
136 0.28
137 0.31
138 -0.82
139 0.74
140 0.28
141 0.46
142 0.35
143 -0.27
144 -0.02
145 0.42
146 0.68
147 0.40
148 0.42
149 0.86
150 -0.23
151 0.85
152 0.54
153 0.34
154 0.52
155 0.47
#Reported_Model_Average 0.330
#Overall_Average_Reported 0.330
Output from Verify3D
Verify3D Score over a window of $winsize_s residues
JPEG image for Verify3D Score
Table of Verify3D scores for ordered residues across all models
#verify3d
#Residue\Model 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
8 0.34 0.17 0.34 0.34 0.34 0.34 0.34 0.34 0.17 0.17 0.34 0.34 0.17 0.34 0.34 0.34 0.34 0.34 0.17 0.34
9 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 0.41 0.41 0.41
10 0.04 0.04 0.04 0.04 0.28 0.04 0.04 0.28 0.04 0.04 0.04 0.04 0.04 0.28 0.04 0.04 0.04 0.04 0.04 0.04
11 0.24 -0.44 0.71 0.24 0.71 0.71 0.71 0.24 0.71 0.24 0.71 0.71 0.24 0.24 0.71 0.71 0.71 0.24 0.71 0.24
12 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 -0.09 1.00 1.00 1.00 1.00 -0.09 1.00 1.00 -0.09 1.00
13 0.28 0.28 0.04 0.28 0.28 0.04 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
14 -0.10 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
15 0.93 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
16 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 -0.54 -0.54
17 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 -0.03 0.25 0.25 0.25 0.25 0.25 0.25
18 0.51 0.34 0.34 0.34 0.34 0.51 0.34 0.51 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.51 0.34 0.34
19 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
20 -0.33 0.29 0.29 0.29 0.29 0.29 0.29 -0.68 0.29 -0.33 0.77 -0.33 -0.33 0.29 -0.68 0.29 0.77 0.29 -0.33 -0.33
21 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
22 0.66 0.66 0.66 0.66 0.66 0.66 1.00 0.66 0.66 0.66 -0.09 0.66 0.66 0.66 0.66 0.66 0.66 1.00 0.66 0.66
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 -0.80 -0.80 -0.80 -0.80 -0.80 -0.74 -0.80 -0.74 -0.80 -0.80 -0.80 -0.80 -0.80 -0.74 -0.80 -0.80 -0.80 -0.80 -0.74 -0.80
25 0.47 0.47 0.47 0.47 -0.10 0.47 -0.10 -0.10 0.47 0.47 -0.10 0.47 -0.10 0.47 0.47 -0.10 0.47 0.47 0.47 0.47
26 -1.13 -1.13 -0.46 -0.46 -1.13 -1.13 -1.13 -1.13 -1.13 -1.13 -1.13 -1.13 -1.13 -1.13 -1.13 -0.46 -1.13 -1.13 -1.13 -0.46
27 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.28 0.04 0.04 0.04 0.04 0.04 0.28 0.04 0.04 0.28 0.04 0.04 0.04
28 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
29 0.08 0.55 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.55 0.55 0.08 0.08 0.08 0.08 0.08 0.55 0.08
30 0.44 0.44 0.44 0.64 0.44 0.44 0.44 0.44 0.44 0.64 0.64 0.64 0.44 0.44 0.64 0.44 0.44 0.25 0.44 0.64
31 0.51 0.23 0.23 0.23 0.51 0.51 0.23 0.23 0.23 0.23 0.51 0.51 0.23 0.23 0.23 0.51 0.23 0.23 0.23 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 0.49 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
34 1.06 1.06 1.06 1.06 0.77 1.06 1.06 1.06 0.77 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
35 -0.90 -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 -0.83 -0.83 -0.83 -0.83 -0.83
36 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
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 -0.26 0.51 0.51 0.51 0.51 0.51 -0.26 -0.26 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
40 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
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 0.08 0.55 0.55 0.08 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 0.51 -0.26 -0.26 0.51 0.51 -0.26 -0.26 0.51 -0.26 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
44 0.81 0.81 0.81 0.81 0.81 0.93 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 0.81
45 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
46 -0.25 -0.25 -0.25 0.49 0.14 -0.25 0.49 0.49 0.49 -0.25 -0.25 0.49 -0.25 0.49 -0.25 -0.25 -0.25 -0.25 0.49 -0.25
47 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25
48 1.00 -0.09 -0.09 1.00 1.00 1.00 1.00 1.00 -0.09 1.00 1.00 1.00 0.66 -0.09 1.00 1.00 1.00 1.00 1.00 1.00
49 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.44 0.44 0.44 0.25 0.25 0.25 0.44 0.25 0.25 0.25 0.25 0.25
50 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.28 0.04 0.28 0.04 -0.59 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.04
51 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34
52 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 0.47 0.47
53 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 -0.44 0.71 0.71 -0.44 -0.44 0.71 0.71 0.71 0.71
54 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.80
55 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
56 -0.09 -0.09 -0.09 -0.09 1.00 -0.09 -0.09 -0.09 -0.09 -0.09 0.66 -0.09 -0.09 -0.09 -0.09 1.00 -0.09 -0.09 0.66 -0.09
57 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
58 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.34 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
59 0.51 0.41 0.41 0.41 0.51 0.41 0.41 0.41 0.41 0.51 0.41 0.51 0.41 0.41 0.41 0.41 0.41 0.51 0.51 0.51
60 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
61 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
62 0.47 0.47 0.47 0.47 0.47 0.47 0.47 -0.10 -0.10 0.47 0.47 0.47 0.47 0.47 -0.10 -0.10 0.47 0.47 -0.10 0.47
63 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
64 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
65 0.47 0.08 0.47 0.47 0.08 0.08 0.08 0.47 0.47 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.47 0.08 0.47 0.08
66 0.25 0.25 0.25 0.25 0.25 -0.03 -0.03 0.25 0.25 0.25 0.25 -0.03 0.25 0.25 0.25 0.25 0.25 0.25 -0.03 0.25
67 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.34 0.34 0.34 0.34 0.34 0.17 0.17 0.17 0.17 0.17 0.17
68 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
69 -0.68 -0.33 -0.68 -0.33 -0.33 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.33 -0.33 -0.33 -0.68 -0.33 -0.68 -0.68 -0.68 -0.68
94 0.34 0.34 0.17 0.34 0.34 0.34 0.34 0.34 0.17 0.34 0.17 0.34 0.17 0.17 0.34 0.59 0.34 0.34 0.34 0.34
95 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 0.51 0.41 0.41 0.41
96 0.04 0.28 0.04 0.04 0.04 0.04 0.28 0.04 0.04 0.04 0.04 0.28 0.28 0.04 0.28 0.04 0.04 0.04 0.04 0.04
97 0.24 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
98 1.00 -0.09 -0.09 -0.09 -0.09 -0.09 1.00 0.66 1.00 -0.09 1.00 -0.09 -0.09 -0.09 -0.09 -0.09 1.00 -0.09 1.00 1.00
99 0.28 0.04 0.28 0.28 0.28 0.28 0.04 0.04 0.28 0.04 0.28 0.28 0.04 0.04 0.28 0.28 0.28 0.04 0.28 0.28
100 0.47 0.47 0.47 -0.10 0.47 0.47 0.47 0.47 -0.10 0.47 -0.10 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
101 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
102 0.81 0.81 -0.54 0.81 -0.54 -0.54 0.81 0.81 0.81 0.81 0.81 0.81 0.81 -0.54 0.81 0.81 0.81 -0.54 0.81 -0.54
103 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25
104 0.51 0.34 0.34 0.51 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.51 0.34 0.34 0.34 0.34 0.34
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 1.06
106 0.29 -0.68 -0.68 0.29 0.29 0.29 -0.68 0.29 0.29 0.29 0.77 0.77 0.29 -0.33 0.77 0.29 -0.33 0.29 0.29 -0.33
107 0.34 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
108 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 -0.09 0.66 0.66 0.66 0.66 0.66 -0.40 -0.40 0.66
109 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
110 -0.74 -0.80 -0.80 -0.80 -0.80 -0.80 -0.74 -0.74 -0.80 -0.80 -0.80 -0.74 -0.80 -0.80 -0.80 -0.80 -0.80 -0.80 -0.80 -0.74
111 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.08 0.47 0.47 -0.10 0.08 0.47 0.47 0.47 0.47 0.47 0.47 0.47
112 0.28 -0.46 -0.46 -1.13 -0.46 -0.46 -0.46 -0.46 -1.13 -0.46 -1.13 0.28 -0.46 -1.13 -0.46 -0.46 0.28 -1.13 -1.13 -0.46
113 0.04 0.28 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.28 0.04 0.04 0.04 0.04 0.04 0.04
114 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
115 0.55 0.08 0.55 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.55 0.55 0.08 0.08 0.55 0.08 0.08 0.08
116 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.44 0.64 0.64 0.64 0.64 0.64 0.64
117 0.23 0.23 0.23 0.51 0.51 0.51 0.51 0.23 0.23 0.51 0.51 0.23 0.51 0.51 0.23 0.23 0.51 0.51 0.23 0.51
118 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
119 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
120 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
121 -0.83 -0.83 0.23 0.23 -0.83 0.23 -0.83 -0.83 0.23 1.00 -0.83 0.23 -0.83 0.23 0.23 -0.90 0.23 -0.90 -0.83 -0.83
122 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
123 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
124 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
125 0.51 -0.26 -0.26 0.51 0.51 0.51 0.51 0.51 -0.26 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
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 1.00 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
128 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
129 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 -0.26 0.51
130 0.81 0.81 0.81 0.81 0.93 0.93 0.81 0.81 0.81 0.81 0.81 0.81 0.93 0.93 0.81 0.81 0.81 0.81 0.81 0.81
131 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
132 -0.25 -0.25 -0.25 -0.25 0.49 -0.25 0.49 -0.25 -0.25 0.49 -0.25 0.49 -0.25 0.49 -0.25 -0.25 -0.25 0.49 -0.25 -0.25
133 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25
134 1.00 1.00 1.00 1.00 -0.09 1.00 1.00 1.00 1.00 1.00 -0.09 -0.09 1.00 1.00 1.00 1.00 1.00 -0.09 -0.09 1.00
135 0.44 0.25 0.25 0.25 0.44 0.44 0.44 0.25 0.25 0.44 0.44 0.25 0.44 0.25 0.25 0.44 0.44 0.44 0.25 0.25
136 0.28 0.28 0.04 0.28 0.28 -0.59 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.28 0.28 0.28
137 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34
138 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
139 0.71 -0.44 0.71 0.71 0.71 -0.44 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 -0.44 0.71 -0.44 0.71 0.71
140 -0.09 -0.74 -0.09 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.09 -0.74 -0.74 -0.74 -0.80 -0.74
141 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
142 -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
143 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
144 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
145 0.41 0.41 0.51 0.51 0.41 0.41 0.51 0.51 0.51 0.41 0.51 0.41 0.51 0.41 0.41 0.51 0.41 0.51 0.41 0.51
146 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
147 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
148 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
149 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.49 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14
150 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
151 0.47 0.47 0.47 0.08 0.47 0.08 0.47 0.47 0.47 0.08 0.47 0.08 0.47 0.47 0.47 0.47 0.47 0.08 0.47 0.47
152 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 -0.57 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 -0.03 -0.03 0.25
153 0.17 0.17 0.17 0.17 0.34 0.34 0.17 0.59 0.59 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17
154 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
155 -0.68 -0.68 -1.14 -0.68 -0.68 -0.33 -0.68 -0.68 -0.68 -0.33 -0.33 -0.33 -0.33 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68
#Reported_Model_Average 0.472 0.406 0.435 0.472 0.455 0.439 0.463 0.465 0.431 0.473 0.450 0.460 0.455 0.454 0.459 0.443 0.491 0.416 0.421 0.439
#Overall_Average_Reported 0.450
Output from ProsaII
ProsaII Score over a window of $winsize_s residues
JPEG image for ProsaII Score
Table of Verify3D scores for ordered residues across all models
#verify3d
#Residue\Model 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
8 0.34 0.17 0.34 0.34 0.34 0.34 0.34 0.34 0.17 0.17 0.34 0.34 0.17 0.34 0.34 0.34 0.34 0.34 0.17 0.34
9 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 0.41 0.41 0.41
10 0.04 0.04 0.04 0.04 0.28 0.04 0.04 0.28 0.04 0.04 0.04 0.04 0.04 0.28 0.04 0.04 0.04 0.04 0.04 0.04
11 0.24 -0.44 0.71 0.24 0.71 0.71 0.71 0.24 0.71 0.24 0.71 0.71 0.24 0.24 0.71 0.71 0.71 0.24 0.71 0.24
12 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 -0.09 1.00 1.00 1.00 1.00 -0.09 1.00 1.00 -0.09 1.00
13 0.28 0.28 0.04 0.28 0.28 0.04 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
14 -0.10 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
15 0.93 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
16 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 -0.54 -0.54
17 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 -0.03 0.25 0.25 0.25 0.25 0.25 0.25
18 0.51 0.34 0.34 0.34 0.34 0.51 0.34 0.51 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.51 0.34 0.34
19 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
20 -0.33 0.29 0.29 0.29 0.29 0.29 0.29 -0.68 0.29 -0.33 0.77 -0.33 -0.33 0.29 -0.68 0.29 0.77 0.29 -0.33 -0.33
21 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
22 0.66 0.66 0.66 0.66 0.66 0.66 1.00 0.66 0.66 0.66 -0.09 0.66 0.66 0.66 0.66 0.66 0.66 1.00 0.66 0.66
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 -0.80 -0.80 -0.80 -0.80 -0.80 -0.74 -0.80 -0.74 -0.80 -0.80 -0.80 -0.80 -0.80 -0.74 -0.80 -0.80 -0.80 -0.80 -0.74 -0.80
25 0.47 0.47 0.47 0.47 -0.10 0.47 -0.10 -0.10 0.47 0.47 -0.10 0.47 -0.10 0.47 0.47 -0.10 0.47 0.47 0.47 0.47
26 -1.13 -1.13 -0.46 -0.46 -1.13 -1.13 -1.13 -1.13 -1.13 -1.13 -1.13 -1.13 -1.13 -1.13 -1.13 -0.46 -1.13 -1.13 -1.13 -0.46
27 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.28 0.04 0.04 0.04 0.04 0.04 0.28 0.04 0.04 0.28 0.04 0.04 0.04
28 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
29 0.08 0.55 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.55 0.55 0.08 0.08 0.08 0.08 0.08 0.55 0.08
30 0.44 0.44 0.44 0.64 0.44 0.44 0.44 0.44 0.44 0.64 0.64 0.64 0.44 0.44 0.64 0.44 0.44 0.25 0.44 0.64
31 0.51 0.23 0.23 0.23 0.51 0.51 0.23 0.23 0.23 0.23 0.51 0.51 0.23 0.23 0.23 0.51 0.23 0.23 0.23 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 0.49 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
34 1.06 1.06 1.06 1.06 0.77 1.06 1.06 1.06 0.77 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
35 -0.90 -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 -0.83 -0.83 -0.83 -0.83 -0.83
36 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
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 -0.26 0.51 0.51 0.51 0.51 0.51 -0.26 -0.26 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
40 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
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 0.08 0.55 0.55 0.08 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 0.51 -0.26 -0.26 0.51 0.51 -0.26 -0.26 0.51 -0.26 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
44 0.81 0.81 0.81 0.81 0.81 0.93 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 0.81
45 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
46 -0.25 -0.25 -0.25 0.49 0.14 -0.25 0.49 0.49 0.49 -0.25 -0.25 0.49 -0.25 0.49 -0.25 -0.25 -0.25 -0.25 0.49 -0.25
47 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25
48 1.00 -0.09 -0.09 1.00 1.00 1.00 1.00 1.00 -0.09 1.00 1.00 1.00 0.66 -0.09 1.00 1.00 1.00 1.00 1.00 1.00
49 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.44 0.44 0.44 0.25 0.25 0.25 0.44 0.25 0.25 0.25 0.25 0.25
50 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.28 0.04 0.28 0.04 -0.59 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.04
51 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34
52 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 0.47 0.47
53 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 -0.44 0.71 0.71 -0.44 -0.44 0.71 0.71 0.71 0.71
54 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.80
55 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
56 -0.09 -0.09 -0.09 -0.09 1.00 -0.09 -0.09 -0.09 -0.09 -0.09 0.66 -0.09 -0.09 -0.09 -0.09 1.00 -0.09 -0.09 0.66 -0.09
57 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
58 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.34 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
59 0.51 0.41 0.41 0.41 0.51 0.41 0.41 0.41 0.41 0.51 0.41 0.51 0.41 0.41 0.41 0.41 0.41 0.51 0.51 0.51
60 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
61 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
62 0.47 0.47 0.47 0.47 0.47 0.47 0.47 -0.10 -0.10 0.47 0.47 0.47 0.47 0.47 -0.10 -0.10 0.47 0.47 -0.10 0.47
63 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
64 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
65 0.47 0.08 0.47 0.47 0.08 0.08 0.08 0.47 0.47 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.47 0.08 0.47 0.08
66 0.25 0.25 0.25 0.25 0.25 -0.03 -0.03 0.25 0.25 0.25 0.25 -0.03 0.25 0.25 0.25 0.25 0.25 0.25 -0.03 0.25
67 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.34 0.34 0.34 0.34 0.34 0.17 0.17 0.17 0.17 0.17 0.17
68 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
69 -0.68 -0.33 -0.68 -0.33 -0.33 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.33 -0.33 -0.33 -0.68 -0.33 -0.68 -0.68 -0.68 -0.68
94 0.34 0.34 0.17 0.34 0.34 0.34 0.34 0.34 0.17 0.34 0.17 0.34 0.17 0.17 0.34 0.59 0.34 0.34 0.34 0.34
95 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 0.51 0.41 0.41 0.41
96 0.04 0.28 0.04 0.04 0.04 0.04 0.28 0.04 0.04 0.04 0.04 0.28 0.28 0.04 0.28 0.04 0.04 0.04 0.04 0.04
97 0.24 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
98 1.00 -0.09 -0.09 -0.09 -0.09 -0.09 1.00 0.66 1.00 -0.09 1.00 -0.09 -0.09 -0.09 -0.09 -0.09 1.00 -0.09 1.00 1.00
99 0.28 0.04 0.28 0.28 0.28 0.28 0.04 0.04 0.28 0.04 0.28 0.28 0.04 0.04 0.28 0.28 0.28 0.04 0.28 0.28
100 0.47 0.47 0.47 -0.10 0.47 0.47 0.47 0.47 -0.10 0.47 -0.10 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
101 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
102 0.81 0.81 -0.54 0.81 -0.54 -0.54 0.81 0.81 0.81 0.81 0.81 0.81 0.81 -0.54 0.81 0.81 0.81 -0.54 0.81 -0.54
103 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25
104 0.51 0.34 0.34 0.51 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.51 0.34 0.34 0.34 0.34 0.34
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 1.06
106 0.29 -0.68 -0.68 0.29 0.29 0.29 -0.68 0.29 0.29 0.29 0.77 0.77 0.29 -0.33 0.77 0.29 -0.33 0.29 0.29 -0.33
107 0.34 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
108 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 -0.09 0.66 0.66 0.66 0.66 0.66 -0.40 -0.40 0.66
109 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
110 -0.74 -0.80 -0.80 -0.80 -0.80 -0.80 -0.74 -0.74 -0.80 -0.80 -0.80 -0.74 -0.80 -0.80 -0.80 -0.80 -0.80 -0.80 -0.80 -0.74
111 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.08 0.47 0.47 -0.10 0.08 0.47 0.47 0.47 0.47 0.47 0.47 0.47
112 0.28 -0.46 -0.46 -1.13 -0.46 -0.46 -0.46 -0.46 -1.13 -0.46 -1.13 0.28 -0.46 -1.13 -0.46 -0.46 0.28 -1.13 -1.13 -0.46
113 0.04 0.28 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.28 0.04 0.04 0.04 0.04 0.04 0.04
114 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
115 0.55 0.08 0.55 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.55 0.55 0.08 0.08 0.55 0.08 0.08 0.08
116 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.64 0.44 0.64 0.64 0.64 0.64 0.64 0.64
117 0.23 0.23 0.23 0.51 0.51 0.51 0.51 0.23 0.23 0.51 0.51 0.23 0.51 0.51 0.23 0.23 0.51 0.51 0.23 0.51
118 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
119 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
120 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
121 -0.83 -0.83 0.23 0.23 -0.83 0.23 -0.83 -0.83 0.23 1.00 -0.83 0.23 -0.83 0.23 0.23 -0.90 0.23 -0.90 -0.83 -0.83
122 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
123 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
124 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
125 0.51 -0.26 -0.26 0.51 0.51 0.51 0.51 0.51 -0.26 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
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 1.00 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
128 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
129 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 -0.26 0.51
130 0.81 0.81 0.81 0.81 0.93 0.93 0.81 0.81 0.81 0.81 0.81 0.81 0.93 0.93 0.81 0.81 0.81 0.81 0.81 0.81
131 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
132 -0.25 -0.25 -0.25 -0.25 0.49 -0.25 0.49 -0.25 -0.25 0.49 -0.25 0.49 -0.25 0.49 -0.25 -0.25 -0.25 0.49 -0.25 -0.25
133 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25
134 1.00 1.00 1.00 1.00 -0.09 1.00 1.00 1.00 1.00 1.00 -0.09 -0.09 1.00 1.00 1.00 1.00 1.00 -0.09 -0.09 1.00
135 0.44 0.25 0.25 0.25 0.44 0.44 0.44 0.25 0.25 0.44 0.44 0.25 0.44 0.25 0.25 0.44 0.44 0.44 0.25 0.25
136 0.28 0.28 0.04 0.28 0.28 -0.59 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.28 0.28 0.28
137 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34
138 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
139 0.71 -0.44 0.71 0.71 0.71 -0.44 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 -0.44 0.71 -0.44 0.71 0.71
140 -0.09 -0.74 -0.09 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.09 -0.74 -0.74 -0.74 -0.80 -0.74
141 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
142 -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
143 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
144 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
145 0.41 0.41 0.51 0.51 0.41 0.41 0.51 0.51 0.51 0.41 0.51 0.41 0.51 0.41 0.41 0.51 0.41 0.51 0.41 0.51
146 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
147 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
148 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
149 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.49 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14
150 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
151 0.47 0.47 0.47 0.08 0.47 0.08 0.47 0.47 0.47 0.08 0.47 0.08 0.47 0.47 0.47 0.47 0.47 0.08 0.47 0.47
152 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 -0.57 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 -0.03 -0.03 0.25
153 0.17 0.17 0.17 0.17 0.34 0.34 0.17 0.59 0.59 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17 0.17
154 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
155 -0.68 -0.68 -1.14 -0.68 -0.68 -0.33 -0.68 -0.68 -0.68 -0.33 -0.33 -0.33 -0.33 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68
#Reported_Model_Average 0.472 0.406 0.435 0.472 0.455 0.439 0.463 0.465 0.431 0.473 0.450 0.460 0.455 0.454 0.459 0.443 0.491 0.416 0.421 0.439
#Overall_Average_Reported 0.450
Output from MolProbity
VdW violations from MAGE
JPEG image for MAGE VdW violation
Table of MAGE VdW violations for ordered residues across all models
#mage_clash
#Residue\Model 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
8.000 1 0 0 0 0 0 1 1 1 1 0 0 0 1 1 0 1 0 0 1
9.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0
10.000 0 0 2 0 0 0 0 0 0 2 0 0 2 0 0 0 0 0 0 2
11.000 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 2 1 1 0
12.000 3 1 1 1 0 1 2 1 1 2 0 2 1 3 1 1 1 1 1 2
13.000 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0
14.000 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 2 0 0 0 0
15.000 2 1 4 2 3 2 2 2 1 2 2 2 3 4 2 3 2 2 2 1
16.000 2 2 3 1 1 2 1 1 2 2 0 2 3 1 1 2 0 2 2 2
17.000 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0
18.000 0 1 1 0 0 1 0 0 0 0 0 0 1 1 1 1 0 0 1 1
19.000 1 0 2 2 1 0 0 1 1 0 1 2 2 1 2 1 2 2 1 2
20.000 2 1 1 0 0 2 1 2 1 2 2 1 2 0 1 2 1 1 1 2
21.000 0 0 0 1 0 1 0 0 0 1 0 0 0 3 0 0 0 0 2 0
22.000 2 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 3 1
23.000 0 0 0 0 2 1 1 3 0 1 2 1 0 0 1 0 1 1 1 0
24.000 1 0 0 0 0 1 0 0 0 0 1 0 1 2 0 1 1 0 1 1
25.000 1 0 0 1 0 0 0 0 2 1 0 0 0 1 0 0 0 0 1 0
26.000 2 2 1 1 1 0 1 2 2 1 0 2 2 1 3 2 0 0 1 2
27.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
28.000 1 1 1 1 1 0 1 3 1 0 0 2 1 1 1 1 0 1 1 1
29.000 1 0 0 0 0 1 0 1 1 1 0 1 1 0 0 1 0 0 1 1
30.000 1 0 1 1 1 2 0 1 1 2 1 0 0 0 1 3 1 1 2 2
31.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
32.000 0 1 1 1 1 1 2 1 1 1 1 1 2 1 0 1 0 1 1 0
33.000 0 0 0 1 0 0 0 0 0 0 1 1 1 0 0 1 0 0 0 0
34.000 0 0 2 2 2 3 0 0 1 0 1 0 0 0 1 2 1 1 2 2
35.000 0 0 0 1 0 1 0 0 0 0 0 0 0 0 1 0 0 1 0 0
36.000 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 1 0 0 1
37.000 2 1 3 3 3 4 1 2 2 3 2 3 3 3 2 2 2 1 1 1
38.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
39.000 0 0 0 1 0 1 0 0 1 0 0 0 0 0 1 0 0 1 0 0
40.000 1 0 0 0 0 1 0 0 0 0 2 1 1 0 1 0 1 0 0 0
41.000 3 1 2 3 2 3 3 1 1 2 2 3 2 1 2 3 2 2 1 2
42.000 0 0 1 0 0 2 0 0 1 0 0 1 0 0 0 0 0 0 0 0
43.000 0 1 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0
44.000 1 0 0 0 0 1 1 0 0 0 1 1 1 0 1 1 1 0 0 0
45.000 1 3 2 2 2 3 2 1 3 1 2 2 2 1 0 1 0 1 1 1
46.000 2 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 2 0 1 0
47.000 0 1 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0
48.000 0 1 0 2 1 0 0 2 2 3 1 0 1 1 2 1 0 1 2 0
49.000 0 0 0 0 2 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0
50.000 3 3 3 2 2 1 2 1 0 0 0 3 2 1 2 3 2 1 2 2
51.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
52.000 0 1 1 1 0 0 2 1 1 3 0 0 0 0 2 0 0 0 1 0
53.000 5 5 5 4 3 3 3 2 2 0 0 2 3 2 4 3 4 2 2 2
54.000 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
55.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
56.000 0 1 1 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0
57.000 0 0 0 1 1 0 0 1 0 2 1 2 0 1 1 0 0 1 2 0
58.000 0 0 1 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0
59.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
60.000 1 0 0 0 0 0 1 0 0 0 1 1 0 2 0 0 0 0 1 0
61.000 2 2 4 1 1 3 0 1 2 2 2 3 1 2 3 0 1 3 1 0
62.000 0 0 0 0 0 0 0 0 0 0 0 0 1 2 0 0 0 0 0 0
63.000 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0
64.000 1 0 1 0 1 0 1 0 1 1 1 1 0 2 0 0 1 0 1 1
65.000 0 0 2 0 0 1 4 0 0 3 3 2 1 2 0 0 0 4 1 0
66.000 0 1 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 0 0 0
67.000 0 0 0 1 1 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0
68.000 1 1 1 0 0 0 2 0 1 1 0 1 0 1 1 0 1 0 1 1
69.000 0 0 0 0 0 0 1 0 0 1 0 1 0 0 0 0 0 1 1 0
94.000 1 1 2 1 0 0 0 0 1 1 1 1 1 0 0 2 1 1 1 1
95.000 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0
96.000 2 0 0 0 0 0 0 0 2 0 0 0 2 2 1 0 0 0 0 0
97.000 1 1 2 1 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 1
98.000 2 1 2 3 0 1 1 2 2 1 2 2 2 1 1 2 1 1 3 1
99.000 1 0 0 1 0 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0
100.000 0 0 0 0 0 0 0 2 0 0 0 1 0 0 1 1 0 0 0 0
101.000 1 3 2 2 3 2 2 4 3 3 2 2 3 2 2 3 2 1 2 2
102.000 3 1 1 3 1 2 1 3 2 0 3 2 1 0 2 2 1 1 2 1
103.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1
104.000 1 0 1 1 1 0 1 1 0 0 1 0 1 0 0 1 1 1 2 0
105.000 0 1 2 2 4 2 1 3 1 3 1 0 1 3 1 1 2 0 0 1
106.000 1 1 1 1 0 1 1 1 2 2 2 2 2 0 2 3 0 2 1 2
107.000 3 0 3 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 1
108.000 1 0 1 2 1 0 2 3 1 0 2 0 4 0 1 3 1 3 0 1
109.000 1 0 0 2 1 0 1 3 2 3 0 0 0 1 0 5 2 2 0 3
110.000 1 0 1 0 0 0 1 1 0 1 1 1 1 0 1 1 0 1 0 1
111.000 2 0 2 1 0 0 2 3 1 0 0 0 2 0 0 1 0 1 0 2
112.000 0 1 0 0 2 0 1 1 1 2 2 0 2 2 1 0 2 1 1 1
113.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
114.000 1 1 1 1 3 2 1 2 2 2 1 0 1 1 1 4 2 1 1 1
115.000 0 0 0 1 0 0 1 1 1 0 0 1 0 1 0 1 1 1 1 1
116.000 0 0 1 1 1 1 2 1 1 2 1 1 2 1 1 1 1 1 2 1
117.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
118.000 2 1 1 0 1 0 0 1 0 0 0 2 0 1 0 3 2 1 0 0
119.000 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 1 0 0 0 0
120.000 0 0 2 0 2 1 1 0 0 1 0 1 1 1 1 1 1 0 2 0
121.000 0 0 0 0 1 0 0 1 0 1 0 0 1 1 0 0 0 0 1 0
122.000 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
123.000 1 1 3 3 2 2 1 1 2 1 2 3 2 2 3 3 3 3 1 2
124.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
125.000 0 0 0 0 1 0 0 1 1 1 0 1 1 1 0 0 0 2 2 0
126.000 0 1 0 0 2 0 0 1 0 1 1 1 2 1 0 0 1 1 0 0
127.000 3 1 2 3 1 3 1 2 2 2 1 3 2 3 1 4 1 2 2 2
128.000 0 0 0 0 0 0 0 0 1 0 1 2 0 0 2 0 1 2 1 0
129.000 1 1 0 0 0 1 0 0 1 0 0 0 0 3 1 0 0 0 0 0
130.000 0 1 0 1 1 1 0 1 0 1 2 1 1 1 1 1 1 1 0 0
131.000 3 2 1 1 2 2 1 3 3 1 0 3 1 1 1 2 0 2 0 2
132.000 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0
133.000 1 1 0 0 0 1 0 0 1 0 0 0 0 1 1 0 0 0 0 0
134.000 0 0 0 1 1 2 1 0 2 2 1 1 1 0 1 2 0 0 1 2
135.000 0 0 0 0 0 0 0 0 1 2 3 0 0 0 1 0 0 2 2 0
136.000 2 2 2 0 2 2 0 4 3 3 4 1 2 1 1 2 2 3 2 1
137.000 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
138.000 0 5 1 1 1 2 1 0 2 1 2 1 1 0 0 1 1 2 0 1
139.000 3 4 2 0 3 3 0 5 4 3 5 2 3 2 2 2 6 5 3 2
140.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0
141.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
142.000 0 0 1 0 2 1 0 0 0 0 1 1 0 0 1 1 1 0 0 0
143.000 1 1 2 0 0 0 4 1 1 1 1 2 0 1 2 0 1 2 0 1
144.000 0 0 1 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 1 0
145.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
146.000 0 0 1 1 0 0 0 0 1 0 0 1 0 1 0 0 0 1 0 1
147.000 2 1 4 2 0 3 0 1 3 2 2 3 0 3 2 0 2 4 1 0
148.000 1 0 0 0 0 0 0 0 3 0 0 2 0 0 1 0 1 0 1 0
149.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
150.000 1 0 1 2 1 0 1 1 2 1 0 0 0 1 0 1 1 0 1 0
151.000 0 1 1 2 2 1 1 0 1 3 0 4 0 1 4 0 1 1 3 0
152.000 2 1 0 0 0 6 0 0 0 0 0 0 0 0 1 1 1 0 2 0
153.000 0 0 1 0 0 1 0 0 0 0 1 1 1 0 0 0 0 0 0 0
154.000 1 0 2 1 1 2 1 1 1 2 0 1 0 1 0 1 1 0 1 0
155.000 0 0 0 1 1 0 1 0 1 0 0 1 0 1 1 1 0 0 1 0
#Reported_Model_Average 0.726 0.573 0.823 0.685 0.669 0.758 0.589 0.790 0.782 0.758 0.661 0.806 0.702 0.710 0.742 0.815 0.669 0.702 0.726 0.565
#Overall_Average_Reported 0.713
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2433:M 88 PRO 2HD :M 87 MET 2HB : -0.854: 0
: 2433:M 88 PRO 2HD :M 87 MET CB : -0.455: 0
: 2433:M 87 MET 2HB :M 88 PRO CD : -0.450: 0
: 2433:M 53 ARG 1HH2 :M 50 GLU 2HG : -0.761: 0
: 2433:M 46 ALA HA :M 53 ARG NH1 : -0.623: 0
: 2433:M 50 GLU 2HG :M 53 ARG NH2 : -0.588: 0
: 2433:M 53 ARG 1HH1 :M 46 ALA HA : -0.538: 0
: 2433:M 53 ARG 1HB :M 50 GLU HA : -0.464: 0
: 2433:M 22 VAL O :M 26 GLU 1HG : -0.589: 0
: 2433:M 26 GLU 1HB :M 28 VAL 3HG1 : -0.483: 0
: 2433:M 25 LYS 1HG :M 22 VAL O : -0.459: 0
: 2433:M 123 LEU O :M 127 VAL 3HG2 : -0.582: 0
: 2433:M 143 VAL HB :M 131 ILE 3HD1 : -0.536: 0
: 2433:M 136 GLU HA :M 139 ARG CB : -0.530: 0
: 2433:M 37 LEU O :M 41 VAL 3HG2 : -0.509: 0
: 2433:M 60 PHE CE2 :M 41 VAL 1HG1 : -0.469: 0
: 2433:M 131 ILE 2HG1 :M 127 VAL O : -0.451: 0
: 2433:M 127 VAL 2HG2 :M 37 LEU 3HD1 : -0.428: 0
: 2433:M 45 ILE 2HG1 :M 41 VAL O : -0.426: 0
: 2433:M 139 ARG 2HG :M 131 ILE 2HG2 : -0.415: 0
: 2433:M 136 GLU HA :M 139 ARG 1HB : -0.401: 0
: 2433:M 111 LYS 2HG :M 107 ASP O : -0.576: 0
: 2433:M 107 ASP HA :M 110 VAL 2HG1 : -0.501: 0
: 2433:M 111 LYS 2HE :M 107 ASP 2HB : -0.409: 0
: 2433:M 30 PRO 1HD :M 29 THR HB : -0.556: 0
: 2433:M 96 GLU CD :M 96 GLU H : -0.547: 0
: 2433:M 75 HIS 1HB :M 74 HIS O : -0.546: 0
: 2433:M 147 THR HB :M 61 THR HB : -0.546: 0
: 2433:M 61 THR 2HG2 :M 147 THR 2HG2 : -0.459: 0
: 2433:M 99 GLU HA :M 102 ILE 2HD1 : -0.535: 0
: 2433:M 94 SER O :M 98 VAL 3HG2 : -0.515: 0
: 2433:M 102 ILE 2HG1 :M 98 VAL O : -0.498: 0
: 2433:M 102 ILE O :M 106 LEU HG : -0.473: 0
: 2433:M 8 SER O :M 12 VAL 3HG2 : -0.527: 0
: 2433:M 24 VAL 3HG2 :M 20 LEU O : -0.506: 0
: 2433:M 20 LEU HG :M 16 ILE O : -0.503: 0
: 2433:M 16 ILE 2HG1 :M 12 VAL O : -0.462: 0
: 2433:M 12 VAL 2HG2 :M 118 LEU CD1 : -0.420: 0
: 2433:M 118 LEU 1HB :M 7 TYR CE2 : -0.407: 0
: 2433:M 11 ARG O :M 15 ILE 2HG1 : -0.507: 0
: 2433:M 19 LEU HG :M 15 ILE O : -0.419: 0
: 2433:M 109 LEU 2HD2 :M 114 VAL 1HG2 : -0.494: 0
: 2433:M 154 VAL 3HG2 :M 150 LEU O : -0.474: 0
: 2433:M 3 ILE 3HG2 :M 6 LYS 1HB : -0.455: 0
: 2433:M 3 ILE CG2 :M 6 LYS 1HB : -0.411: 0
: 2433:M 97 ARG O :M 101 ILE 2HG1 : -0.447: 0
: 2433:M 152 GLN 2HG :M 148 LYS O : -0.444: 0
: 2433:M 152 GLN O :M 156 GLU 1HG : -0.424: 0
: 2433:M 40 ALA O :M 44 ILE 1HG1 : -0.431: 0
: 2433:M 64 LEU O :M 68 VAL 3HG2 : -0.425: 0
: 2433:M 133 GLN 2HG :M 129 ASN O : -0.422: 0
: 2433:M 104 ASP O :M 108 VAL 3HG2 : -0.413: 0
: 2433:M 92 LYS 2HG :M 90 VAL HB : -0.412: 0
#sum2 ::21.78 clashscore : 21.78 clashscore B<40
#summary::2433 atoms:2433 atoms B<40:272864 potential dots:17050.0 A^2:53 bumps:53 bumps B<40:707.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2433:M 50 GLU HA :M 53 ARG CB : -0.744: 0
: 2433:M 53 ARG 2HB :M 50 GLU HA : -0.578: 0
: 2433:M 53 ARG 1HB :M 50 GLU HA : -0.568: 0
: 2433:M 45 ILE 2HG2 :M 53 ARG 2HG : -0.550: 0
: 2433:M 48 VAL 2HG2 :M 45 ILE O : -0.431: 0
: 2433:M 53 ARG 2HG :M 45 ILE CG2 : -0.406: 0
: 2433:M 61 THR OG1 :M 151 LYS 2HE : -0.634: 0
: 2433:M 61 THR 2HG2 :M 147 THR 2HG2 : -0.416: 0
: 2433:M 136 GLU HA :M 139 ARG CB : -0.632: 0
: 2433:M 139 ARG 2HB :M 136 GLU HA : -0.584: 0
: 2433:M 139 ARG 2HG :M 131 ILE 2HG2 : -0.536: 0
: 2433:M 143 VAL HB :M 131 ILE 3HD1 : -0.412: 0
: 2433:M 68 VAL CG1 :M 139 ARG 1HG : -0.409: 0
: 2433:M 3 ILE 1HD1 :M 7 TYR HA : -0.628: 0
: 2433:M 7 TYR CZ :M 118 LEU 2HD2 : -0.478: 0
: 2433:M 1 MET 1HG :M 3 ILE 2HG2 : -0.426: 0
: 2433:M 43 ASN O :M 47 GLN 2HG : -0.570: 0
: 2433:M 156 GLU 2HB :M 158 HIS HD2 : -0.570: 0
: 2433:M 158 HIS CD2 :M 156 GLU 2HB : -0.564: 0
: 2433:M 152 GLN O :M 156 GLU 2HG : -0.426: 0
: 2433:M 37 LEU O :M 41 VAL 3HG2 : -0.537: 0
: 2433:M 102 ILE O :M 106 LEU HG : -0.523: 0
: 2433:M 26 GLU 2HG :M 101 ILE 1HG1 : -0.520: 0
: 2433:M 97 ARG O :M 101 ILE 2HG1 : -0.513: 0
: 2433:M 101 ILE O :M 105 LEU HG : -0.430: 0
: 2433:M 26 GLU 1HB :M 28 VAL 3HG1 : -0.415: 0
: 2433:M 123 LEU O :M 127 VAL 3HG2 : -0.514: 0
: 2433:M 52 LYS O :M 56 VAL 2HG2 : -0.507: 0
: 2433:M 138 LYS 1HD :M 138 LYS N : -0.498: 0
: 2433:M 137 SER 1HB :M 138 LYS 1HD : -0.427: 0
: 2433:M 138 LYS 2HE :M 138 LYS 2HB : -0.420: 0
: 2433:M 112 GLU 1HB :M 114 VAL 3HG1 : -0.493: 0
: 2433:M 94 SER O :M 98 VAL 3HG2 : -0.492: 0
: 2433:M 11 ARG O :M 15 ILE 2HG1 : -0.471: 0
: 2433:M 16 ILE 2HG1 :M 12 VAL O : -0.455: 0
: 2433:M 20 LEU HG :M 16 ILE O : -0.445: 0
: 2433:M 32 LEU 1HB :M 93 TYR CE1 : -0.442: 0
: 2433:M 88 PRO 2HD :M 87 MET HA : -0.436: 0
: 2433:M 92 LYS 2HB :M 92 LYS 1HE : -0.430: 0
: 2433:M 22 VAL 3HG2 :M 18 ASP O : -0.424: 0
: 2433:M 130 ILE 1HG1 :M 126 ALA O : -0.418: 0
: 2433:M 63 ALA O :M 66 GLN 2HG : -0.417: 0
: 2433:M 6 LYS 1HB :M 5 SER O : -0.417: 0
: 2433:M 159 HIS O :M 160 HIS 1HB : -0.412: 0
: 2433:M 133 GLN 2HG :M 129 ASN O : -0.410: 0
#sum2 ::18.50 clashscore : 18.50 clashscore B<40
#summary::2433 atoms:2433 atoms B<40:272595 potential dots:17040.0 A^2:45 bumps:45 bumps B<40:744.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2433:M 111 LYS 1HE :M 108 VAL HA : -1.075: 0
: 2433:M 107 ASP HA :M 110 VAL 2HG1 : -0.510: 0
: 2433:M 107 ASP 2HB :M 104 ASP O : -0.434: 0
: 2433:M 111 LYS 1HG :M 107 ASP O : -0.402: 0
: 2433:M 147 THR HB :M 61 THR HB : -0.958: 0
: 2433:M 61 THR HB :M 147 THR CB : -0.694: 0
: 2433:M 147 THR HB :M 61 THR CB : -0.582: 0
: 2433:M 61 THR HB :M 147 THR CG2 : -0.418: 0
: 2433:M 50 GLU HA :M 53 ARG CB : -0.747: 0
: 2433:M 45 ILE 2HG2 :M 53 ARG 2HG : -0.623: 0
: 2433:M 53 ARG 1HB :M 50 GLU HA : -0.571: 0
: 2433:M 53 ARG 2HB :M 50 GLU HA : -0.560: 0
: 2433:M 53 ARG 2HG :M 45 ILE O : -0.442: 0
: 2433:M 92 LYS 1HD :M 92 LYS H : -0.697: 0
: 2433:M 98 VAL 2HG2 :M 32 LEU 1HD1 : -0.619: 0
: 2433:M 97 ARG O :M 101 ILE 2HG1 : -0.559: 0
: 2433:M 37 LEU O :M 41 VAL 3HG2 : -0.547: 0
: 2433:M 123 LEU O :M 127 VAL 3HG2 : -0.547: 0
: 2433:M 101 ILE O :M 105 LEU HG : -0.509: 0
: 2433:M 41 VAL 3HG1 :M 120 LEU 2HD2 : -0.499: 0
: 2433:M 11 ARG O :M 15 ILE 2HG1 : -0.493: 0
: 2433:M 127 VAL 2HG2 :M 37 LEU 3HD1 : -0.471: 0
: 2433:M 15 ILE 3HD1 :M 114 VAL 1HG1 : -0.462: 0
: 2433:M 19 LEU HG :M 15 ILE O : -0.452: 0
: 2433:M 120 LEU HG :M 116 PRO O : -0.442: 0
: 2433:M 123 LEU 3HD2 :M 19 LEU 3HD1 : -0.440: 0
: 2433:M 37 LEU 3HD2 :M 105 LEU 3HD1 : -0.435: 0
: 2433:M 15 ILE HB :M 122 CYS SG : -0.420: 0
: 2433:M 119 ALA O :M 123 LEU HG : -0.420: 0
: 2433:M 97 ARG 2HB :M 94 SER 1HB : -0.419: 0
: 2433:M 94 SER O :M 98 VAL 3HG2 : -0.403: 0
: 2433:M 143 VAL 2HG2 :M 65 LYS 1HG : -0.585: 0
: 2433:M 143 VAL HB :M 131 ILE 3HD1 : -0.547: 0
: 2433:M 65 LYS 2HD :M 144 ASP HA : -0.512: 0
: 2433:M 136 GLU HA :M 139 ARG CB : -0.579: 0
: 2433:M 139 ARG 1HB :M 136 GLU HA : -0.573: 0
: 2433:M 13 GLU HA :M 16 ILE 2HD1 : -0.556: 0
: 2433:M 20 LEU HG :M 16 ILE O : -0.551: 0
: 2433:M 16 ILE 2HG1 :M 12 VAL O : -0.439: 0
: 2433:M 151 LYS 2HD :M 58 ASP HA : -0.539: 0
: 2433:M 42 THR 3HG2 :M 154 VAL 2HG2 : -0.525: 0
: 2433:M 154 VAL 3HG2 :M 150 LEU O : -0.424: 0
: 2433:M 102 ILE O :M 106 LEU HG : -0.506: 0
: 2433:M 157 HIS 1HB :M 153 SER O : -0.502: 0
: 2433:M 30 PRO O :M 34 LEU HG : -0.481: 0
: 2433:M 146 PHE HE1 :M 34 LEU O : -0.466: 0
: 2433:M 64 LEU O :M 68 VAL 3HG2 : -0.477: 0
: 2433:M 142 VAL 3HG1 :M 138 LYS O : -0.451: 0
: 2433:M 118 LEU 1HB :M 7 TYR CE2 : -0.444: 0
: 2433:M 56 VAL 3HG2 :M 52 LYS O : -0.444: 0
: 2433:M 26 GLU 1HB :M 28 VAL 3HG1 : -0.431: 0
: 2433:M 4 VAL 2HG1 :M 6 LYS 2HG : -0.414: 0
: 2433:M 156 GLU O :M 156 GLU 1HG : -0.409: 0
: 2433:M 22 VAL 3HG2 :M 18 ASP O : -0.405: 0
: 2433:M 10 GLU H :M 10 GLU CD : -0.403: 0
#sum2 ::22.61 clashscore : 22.61 clashscore B<40
#summary::2433 atoms:2433 atoms B<40:272712 potential dots:17040.0 A^2:55 bumps:55 bumps B<40:636.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2433:M 71 HIS 1HB :M 67 SER O : -0.743: 0
: 2433:M 116 PRO 1HD :M 115 THR 2HG2 : -0.668: 0
: 2433:M 123 LEU 3HD1 :M 41 VAL 2HG2 : -0.604: 0
: 2433:M 123 LEU O :M 127 VAL 3HG2 : -0.590: 0
: 2433:M 37 LEU O :M 41 VAL 3HG2 : -0.561: 0
: 2433:M 101 ILE O :M 105 LEU HG : -0.558: 0
: 2433:M 97 ARG O :M 101 ILE 2HG1 : -0.545: 0
: 2433:M 123 LEU 3HD2 :M 19 LEU 3HD1 : -0.523: 0
: 2433:M 37 LEU 3HD2 :M 105 LEU 3HD1 : -0.516: 0
: 2433:M 11 ARG O :M 15 ILE 2HG1 : -0.445: 0
: 2433:M 131 ILE 2HG1 :M 127 VAL O : -0.435: 0
: 2433:M 127 VAL 2HG2 :M 37 LEU 3HD1 : -0.427: 0
: 2433:M 41 VAL HB :M 150 LEU 1HD1 : -0.416: 0
: 2433:M 19 LEU HG :M 15 ILE O : -0.414: 0
: 2433:M 154 VAL 3HG2 :M 150 LEU O : -0.414: 0
: 2433:M 30 PRO O :M 34 LEU HG : -0.590: 0
: 2433:M 34 LEU 2HB :M 146 PHE HD1 : -0.418: 0
: 2433:M 155 LEU HG :M 151 LYS O : -0.551: 0
: 2433:M 147 THR O :M 151 LYS 1HB : -0.538: 0
: 2433:M 61 THR 2HG2 :M 147 THR 2HG2 : -0.508: 0
: 2433:M 53 ARG 2HD :M 48 VAL O : -0.549: 0
: 2433:M 45 ILE 1HG2 :M 57 VAL HB : -0.546: 0
: 2433:M 45 ILE 2HG2 :M 53 ARG 2HG : -0.504: 0
: 2433:M 53 ARG 2HB :M 50 GLU HA : -0.481: 0
: 2433:M 53 ARG 1HH2 :M 50 GLU CD : -0.432: 0
: 2433:M 48 VAL CG1 :M 52 LYS 2HG : -0.406: 0
: 2433:M 98 VAL 2HG2 :M 32 LEU 1HD1 : -0.534: 0
: 2433:M 102 ILE 1HG1 :M 36 CYS HA : -0.509: 0
: 2433:M 102 ILE 2HG1 :M 98 VAL O : -0.434: 0
: 2433:M 94 SER O :M 98 VAL 3HG2 : -0.429: 0
: 2433:M 99 GLU HA :M 102 ILE 2HD1 : -0.414: 0
: 2433:M 16 ILE 2HG1 :M 12 VAL O : -0.492: 0
: 2433:M 111 LYS 2HB :M 108 VAL O : -0.484: 0
: 2433:M 21 ASP O :M 25 LYS 1HB : -0.484: 0
: 2433:M 104 ASP O :M 108 VAL 3HG2 : -0.434: 0
: 2433:M 7 TYR CZ :M 5 SER HA : -0.473: 0
: 2433:M 35 MET O :M 39 ASN 1HB : -0.465: 0
: 2433:M 130 ILE 3HD1 :M 33 ALA CB : -0.459: 0
: 2433:M 26 GLU 1HB :M 28 VAL 3HG1 : -0.457: 0
: 2433:M 43 ASN O :M 47 GLN 2HG : -0.449: 0
: 2433:M 6 LYS 2HB :M 6 LYS NZ : -0.448: 0
: 2433:M 54 VAL O :M 58 ASP 1HB : -0.436: 0
: 2433:M 88 PRO 2HD :M 87 MET HA : -0.429: 0
: 2433:M 109 LEU 2HD2 :M 114 VAL 1HG2 : -0.406: 0
: 2433:M 109 LEU 2HD1 :M 106 LEU 3HD2 : -0.400: 0
: 2433:M 134 VAL CG1 :M 138 LYS 2HG : -0.404: 0
#sum2 ::18.91 clashscore : 18.91 clashscore B<40
#summary::2433 atoms:2433 atoms B<40:272720 potential dots:17040.0 A^2:46 bumps:46 bumps B<40:742 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2433:M 120 LEU 1HD1 :M 56 VAL HB : -0.705: 0
: 2433:M 120 LEU HG :M 116 PRO O : -0.547: 0
: 2433:M 11 ARG O :M 15 ILE 2HG1 : -0.629: 0
: 2433:M 15 ILE 3HD1 :M 114 VAL 2HG1 : -0.571: 0
: 2433:M 114 VAL HA :M 118 LEU 3HD2 : -0.532: 0
: 2433:M 112 GLU 1HB :M 114 VAL 3HG1 : -0.524: 0
: 2433:M 112 GLU 2HG :M 15 ILE 1HG1 : -0.523: 0
: 2433:M 37 LEU O :M 41 VAL 3HG2 : -0.613: 0
: 2433:M 97 ARG O :M 101 ILE 2HG1 : -0.551: 0
: 2433:M 101 ILE O :M 105 LEU HG : -0.534: 0
: 2433:M 26 GLU 2HG :M 101 ILE 1HG1 : -0.508: 0
: 2433:M 23 LEU 1HD1 :M 37 LEU 1HD2 : -0.498: 0
: 2433:M 45 ILE 3HD1 :M 57 VAL HB : -0.494: 0
: 2433:M 45 ILE 2HG1 :M 41 VAL O : -0.476: 0
: 2433:M 23 LEU 1HD2 :M 105 LEU 1HD1 : -0.475: 0
: 2433:M 37 LEU 3HD2 :M 105 LEU 3HD1 : -0.474: 0
: 2433:M 105 LEU O :M 109 LEU HG : -0.448: 0
: 2433:M 123 LEU O :M 127 VAL 3HG2 : -0.595: 0
: 2433:M 123 LEU 3HD2 :M 19 LEU 3HD1 : -0.408: 0
: 2433:M 30 PRO O :M 34 LEU HG : -0.579: 0
: 2433:M 34 LEU 1HD1 :M 142 VAL 3HG1 : -0.431: 0
: 2433:M 138 LYS O :M 142 VAL 3HG2 : -0.412: 0
: 2433:M 53 ARG 1HD :M 50 GLU OE1 : -0.576: 0
: 2433:M 49 PRO 1HD :M 48 VAL HB : -0.546: 0
: 2433:M 50 GLU HA :M 53 ARG CG : -0.436: 0
: 2433:M 49 PRO O :M 53 ARG 2HG : -0.429: 0
: 2433:M 14 LYS HA :M 17 GLN 2HB : -0.563: 0
: 2433:M 32 LEU 3HD2 :M 28 VAL HA : -0.509: 0
: 2433:M 139 ARG 2HG :M 131 ILE 2HG2 : -0.509: 0
: 2433:M 131 ILE O :M 134 VAL 2HG2 : -0.495: 0
: 2433:M 136 GLU 1HG :M 139 ARG NH1 : -0.466: 0
: 2433:M 136 GLU 1HG :M 139 ARG CZ : -0.401: 0
: 2433:M 71 HIS 1HB :M 67 SER O : -0.495: 0
: 2433:M 104 ASP O :M 108 VAL 3HG2 : -0.481: 0
: 2433:M 126 ALA 2HB :M 16 ILE 3HG2 : -0.477: 0
: 2433:M 126 ALA O :M 130 ILE 2HG1 : -0.409: 0
: 2433:M 102 ILE 1HG1 :M 36 CYS HA : -0.475: 0
: 2433:M 125 ASN 1HB :M 121 MET O : -0.458: 0
: 2433:M 4 VAL N :M 3 ILE 1HG1 : -0.449: 0
: 2433:M 154 VAL 3HG2 :M 150 LEU O : -0.447: 0
: 2433:M 58 ASP HA :M 151 LYS 1HE : -0.443: 0
: 2433:M 155 LEU HG :M 151 LYS O : -0.434: 0
: 2433:M 61 THR HA :M 64 LEU 2HD1 : -0.416: 0
#sum2 ::17.67 clashscore : 17.67 clashscore B<40
#summary::2433 atoms:2433 atoms B<40:272543 potential dots:17030.0 A^2:43 bumps:43 bumps B<40:685.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2433:M 152 GLN HA :M 152 GLN 2HE2 : -0.937: 0
: 2433:M 152 GLN HA :M 152 GLN NE2 : -0.559: 0
: 2433:M 152 GLN 2HE2 :M 152 GLN CA : -0.505: 0
: 2433:M 132 ALA HA :M 139 ARG NH1 : -0.664: 0
: 2433:M 136 GLU HA :M 139 ARG CB : -0.548: 0
: 2433:M 139 ARG 2HB :M 136 GLU HA : -0.528: 0
: 2433:M 4 VAL 2HG1 :M 6 LYS 2HG : -0.647: 0
: 2433:M 30 PRO 1HD :M 29 THR 2HG2 : -0.609: 0
: 2433:M 37 LEU O :M 41 VAL 3HG2 : -0.591: 0
: 2433:M 123 LEU O :M 127 VAL 3HG2 : -0.551: 0
: 2433:M 30 PRO O :M 34 LEU HG : -0.524: 0
: 2433:M 37 LEU 3HD2 :M 105 LEU 3HD1 : -0.491: 0
: 2433:M 45 ILE CG2 :M 53 ARG 2HG : -0.481: 0
: 2433:M 97 ARG O :M 101 ILE 2HG1 : -0.477: 0
: 2433:M 123 LEU 3HD1 :M 41 VAL 2HG2 : -0.471: 0
: 2433:M 101 ILE O :M 105 LEU HG : -0.460: 0
: 2433:M 127 VAL 2HG2 :M 37 LEU 3HD1 : -0.442: 0
: 2433:M 131 ILE 2HG1 :M 127 VAL O : -0.434: 0
: 2433:M 142 VAL HB :M 34 LEU CD1 : -0.434: 0
: 2433:M 131 ILE 1HG1 :M 34 LEU 1HD2 : -0.429: 0
: 2433:M 45 ILE O :M 53 ARG 2HD : -0.427: 0
: 2433:M 45 ILE 2HG1 :M 41 VAL O : -0.418: 0
: 2433:M 50 GLU CD :M 53 ARG 1HH2 : -0.414: 0
: 2433:M 130 ILE 2HG1 :M 37 LEU 1HD1 : -0.400: 0
: 2433:M 61 THR 2HG2 :M 147 THR 2HG2 : -0.578: 0
: 2433:M 147 THR HB :M 61 THR HB : -0.566: 0
: 2433:M 151 LYS 2HG :M 61 THR 1HG2 : -0.509: 0
: 2433:M 147 THR 1HG2 :M 65 LYS 2HG : -0.444: 0
: 2433:M 157 HIS 1HB :M 153 SER O : -0.557: 0
: 2433:M 32 LEU 2HD2 :M 93 TYR CE1 : -0.540: 0
: 2433:M 138 LYS 2HG :M 134 VAL CG1 : -0.511: 0
: 2433:M 138 LYS 2HG :M 134 VAL 2HG1 : -0.414: 0
: 2433:M 42 THR 3HG2 :M 154 VAL 2HG2 : -0.499: 0
: 2433:M 42 THR HA :M 154 VAL 2HG2 : -0.482: 0
: 2433:M 35 MET O :M 39 ASN 1HB : -0.482: 0
: 2433:M 11 ARG O :M 15 ILE 2HG1 : -0.459: 0
: 2433:M 15 ILE 3HD1 :M 114 VAL CG1 : -0.407: 0
: 2433:M 119 ALA 2HB :M 114 VAL CG2 : -0.402: 0
: 2433:M 24 VAL 2HG1 :M 21 ASP HA : -0.449: 0
: 2433:M 20 LEU HG :M 16 ILE O : -0.442: 0
: 2433:M 16 ILE 2HG1 :M 12 VAL O : -0.430: 0
: 2433:M 23 LEU 2HD1 :M 20 LEU 3HD2 : -0.423: 0
: 2433:M 95 ASN O :M 99 GLU 1HG : -0.436: 0
: 2433:M 102 ILE 2HG1 :M 98 VAL O : -0.424: 0
: 2433:M 102 ILE O :M 106 LEU HG : -0.423: 0
: 2433:M 40 ALA O :M 44 ILE 1HG1 : -0.415: 0
: 2433:M 120 LEU HG :M 116 PRO O : -0.415: 0
: 2433:M 22 VAL 3HG2 :M 18 ASP O : -0.408: 0
: 2433:M 133 GLN 2HG :M 129 ASN O : -0.406: 0
: 2433:M 88 PRO 2HD :M 87 MET HA : -0.402: 0
#sum2 ::20.55 clashscore : 20.55 clashscore B<40
#summary::2433 atoms:2433 atoms B<40:272768 potential dots:17050.0 A^2:50 bumps:50 bumps B<40:693.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2433:M 123 LEU O :M 127 VAL 3HG2 : -0.616: 0
: 2433:M 143 VAL 2HG2 :M 65 LYS 1HG : -0.595: 0
: 2433:M 143 VAL 1HG2 :M 68 VAL 1HG2 : -0.554: 0
: 2433:M 65 LYS 2HD :M 144 ASP HA : -0.547: 0
: 2433:M 64 LEU O :M 68 VAL 3HG2 : -0.505: 0
: 2433:M 69 LEU HG :M 65 LYS O : -0.439: 0
: 2433:M 143 VAL CG2 :M 65 LYS 1HG : -0.421: 0
: 2433:M 143 VAL HB :M 131 ILE 1HG2 : -0.421: 0
: 2433:M 37 LEU O :M 41 VAL 3HG2 : -0.591: 0
: 2433:M 50 GLU HA :M 53 ARG CB : -0.583: 0
: 2433:M 53 ARG 1HB :M 50 GLU HA : -0.451: 0
: 2433:M 60 PHE CE2 :M 41 VAL 1HG1 : -0.427: 0
: 2433:M 53 ARG 2HG :M 45 ILE O : -0.426: 0
: 2433:M 45 ILE 2HG1 :M 41 VAL O : -0.420: 0
: 2433:M 111 LYS 2HD :M 108 VAL HA : -0.560: 0
: 2433:M 23 LEU 2HD1 :M 20 LEU 3HD2 : -0.560: 0
: 2433:M 104 ASP O :M 108 VAL 3HG2 : -0.457: 0
: 2433:M 107 ASP HA :M 110 VAL 2HG1 : -0.451: 0
: 2433:M 111 LYS 2HG :M 107 ASP O : -0.418: 0
: 2433:M 11 ARG O :M 15 ILE 2HG1 : -0.543: 0
: 2433:M 112 GLU 2HG :M 15 ILE 1HG1 : -0.538: 0
: 2433:M 101 ILE O :M 105 LEU HG : -0.532: 0
: 2433:M 97 ARG O :M 101 ILE 2HG1 : -0.486: 0
: 2433:M 2 PRO 1HD :M 1 MET 2H : -0.531: 0
: 2433:M 154 VAL 3HG2 :M 150 LEU O : -0.495: 0
: 2433:M 109 LEU 2HD2 :M 114 VAL 1HG2 : -0.487: 0
: 2433:M 32 LEU CD1 :M 98 VAL 2HG2 : -0.457: 0
: 2433:M 93 TYR CD1 :M 32 LEU 3HD1 : -0.453: 0
: 2433:M 26 GLU 1HB :M 28 VAL 3HG1 : -0.449: 0
: 2433:M 120 LEU HG :M 116 PRO O : -0.447: 0
: 2433:M 116 PRO 1HD :M 115 THR HB : -0.420: 0
: 2433:M 8 SER O :M 12 VAL 3HG2 : -0.441: 0
: 2433:M 16 ILE 2HG1 :M 12 VAL O : -0.440: 0
: 2433:M 119 ALA CB :M 44 ILE 3HD1 : -0.431: 0
: 2433:M 138 LYS 2HG :M 134 VAL 2HG1 : -0.431: 0
: 2433:M 102 ILE O :M 106 LEU HG : -0.425: 0
: 2433:M 155 LEU HG :M 151 LYS O : -0.408: 0
: 2433:M 52 LYS 2HB :M 52 LYS NZ : -0.406: 0
: 2433:M 89 ILE N :M 89 ILE 2HD1 : -0.401: 0
#sum2 ::16.03 clashscore : 16.03 clashscore B<40
#summary::2433 atoms:2433 atoms B<40:272819 potential dots:17050.0 A^2:39 bumps:39 bumps B<40:732.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2433:M 32 LEU 3HD2 :M 28 VAL HA : -0.786: 0
: 2433:M 114 VAL HA :M 118 LEU 3HD2 : -0.689: 0
: 2433:M 37 LEU O :M 41 VAL 3HG2 : -0.569: 0
: 2433:M 109 LEU 2HD1 :M 106 LEU 3HD2 : -0.561: 0
: 2433:M 97 ARG O :M 101 ILE 2HG1 : -0.558: 0
: 2433:M 109 LEU 2HD2 :M 114 VAL 1HG2 : -0.555: 0
: 2433:M 26 GLU 2HG :M 101 ILE 1HG1 : -0.535: 0
: 2433:M 97 ARG 1HH2 :M 26 GLU HA : -0.535: 0
: 2433:M 105 LEU O :M 109 LEU HG : -0.514: 0
: 2433:M 20 LEU HG :M 16 ILE O : -0.498: 0
: 2433:M 23 LEU HG :M 19 LEU O : -0.468: 0
: 2433:M 101 ILE O :M 105 LEU HG : -0.468: 0
: 2433:M 101 ILE 3HD1 :M 28 VAL 2HG1 : -0.455: 0
: 2433:M 23 LEU 2HD1 :M 20 LEU 3HD2 : -0.448: 0
: 2433:M 37 LEU 3HD2 :M 105 LEU 3HD1 : -0.441: 0
: 2433:M 23 LEU 2HD2 :M 28 VAL 1HG2 : -0.416: 0
: 2433:M 123 LEU O :M 127 VAL 3HG2 : -0.624: 0
: 2433:M 139 ARG 2HG :M 131 ILE 2HG2 : -0.527: 0
: 2433:M 139 ARG CZ :M 136 GLU 1HG : -0.514: 0
: 2433:M 136 GLU 1HG :M 139 ARG NH1 : -0.476: 0
: 2433:M 139 ARG 2HB :M 136 GLU HA : -0.453: 0
: 2433:M 136 GLU HA :M 139 ARG CB : -0.439: 0
: 2433:M 143 VAL HB :M 131 ILE 3HD1 : -0.428: 0
: 2433:M 131 ILE 2HG1 :M 127 VAL O : -0.410: 0
: 2433:M 147 THR HB :M 61 THR HB : -0.587: 0
: 2433:M 111 LYS 2HD :M 108 VAL HA : -0.571: 0
: 2433:M 111 LYS 2HG :M 107 ASP O : -0.468: 0
: 2433:M 111 LYS 1HB :M 108 VAL O : -0.455: 0
: 2433:M 107 ASP HA :M 110 VAL 2HG1 : -0.410: 0
: 2433:M 104 ASP O :M 108 VAL 3HG2 : -0.402: 0
: 2433:M 11 ARG O :M 15 ILE 2HG1 : -0.560: 0
: 2433:M 112 GLU 2HG :M 15 ILE 1HG1 : -0.536: 0
: 2433:M 30 PRO 1HD :M 29 THR HB : -0.552: 0
: 2433:M 45 ILE 3HD1 :M 57 VAL HB : -0.550: 0
: 2433:M 14 LYS HA :M 17 GLN 2HB : -0.522: 0
: 2433:M 116 PRO 1HD :M 115 THR HB : -0.496: 0
: 2433:M 102 ILE 1HG1 :M 36 CYS HA : -0.493: 0
: 2433:M 102 ILE 2HG1 :M 98 VAL O : -0.446: 0
: 2433:M 98 VAL HB :M 95 ASN HA : -0.421: 0
: 2433:M 99 GLU HA :M 102 ILE 2HD1 : -0.414: 0
: 2433:M 154 VAL 3HG2 :M 150 LEU O : -0.480: 0
: 2433:M 50 GLU CD :M 53 ARG 1HH2 : -0.478: 0
: 2433:M 53 ARG 2HD :M 48 VAL O : -0.475: 0
: 2433:M 48 VAL CG1 :M 52 LYS 2HG : -0.421: 0
: 2433:M 8 SER O :M 12 VAL 3HG2 : -0.470: 0
: 2433:M 130 ILE 1HG1 :M 126 ALA O : -0.440: 0
: 2433:M 156 GLU O :M 157 HIS 2HB : -0.429: 0
: 2433:M 43 ASN O :M 47 GLN 2HG : -0.428: 0
: 2433:M 125 ASN 1HB :M 121 MET O : -0.424: 0
: 2433:M 100 LYS 2HD :M 100 LYS C : -0.416: 0
#sum2 ::20.55 clashscore : 20.55 clashscore B<40
#summary::2433 atoms:2433 atoms B<40:272741 potential dots:17050.0 A^2:50 bumps:50 bumps B<40:746 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2433:M 97 ARG O :M 101 ILE 2HG1 : -0.611: 0
: 2433:M 26 GLU 2HG :M 101 ILE 1HG1 : -0.520: 0
: 2433:M 26 GLU 1HB :M 28 VAL 3HG1 : -0.458: 0
: 2433:M 101 ILE O :M 105 LEU HG : -0.432: 0
: 2433:M 45 ILE 2HG2 :M 53 ARG 2HG : -0.604: 0
: 2433:M 49 PRO 1HD :M 48 VAL HB : -0.518: 0
: 2433:M 53 ARG 2HG :M 45 ILE O : -0.442: 0
: 2433:M 48 VAL 2HG2 :M 45 ILE O : -0.417: 0
: 2433:M 37 LEU O :M 41 VAL 3HG2 : -0.568: 0
: 2433:M 123 LEU O :M 127 VAL 3HG2 : -0.553: 0
: 2433:M 127 VAL 2HG2 :M 37 LEU 3HD1 : -0.496: 0
: 2433:M 123 LEU 3HD2 :M 19 LEU 3HD1 : -0.433: 0
: 2433:M 136 GLU HA :M 139 ARG CB : -0.565: 0
: 2433:M 139 ARG 2HG :M 131 ILE 2HG2 : -0.560: 0
: 2433:M 143 VAL HB :M 131 ILE 3HD1 : -0.557: 0
: 2433:M 134 VAL HB :M 138 LYS 1HD : -0.502: 0
: 2433:M 139 ARG 2HB :M 136 GLU HA : -0.502: 0
: 2433:M 138 LYS 1HG :M 135 PRO 1HG : -0.490: 0
: 2433:M 131 ILE O :M 134 VAL 2HG2 : -0.439: 0
: 2433:M 139 ARG CZ :M 136 GLU 1HG : -0.424: 0
: 2433:M 98 VAL 2HG2 :M 32 LEU 1HD1 : -0.548: 0
: 2433:M 94 SER O :M 98 VAL 3HG2 : -0.419: 0
: 2433:M 155 LEU HG :M 151 LYS O : -0.547: 0
: 2433:M 56 VAL 3HG2 :M 52 LYS O : -0.517: 0
: 2433:M 11 ARG O :M 15 ILE 2HG1 : -0.517: 0
: 2433:M 109 LEU 2HD1 :M 106 LEU 3HD2 : -0.490: 0
: 2433:M 112 GLU 1HB :M 114 VAL 3HG1 : -0.473: 0
: 2433:M 109 LEU 2HD2 :M 114 VAL 1HG2 : -0.471: 0
: 2433:M 99 GLU HA :M 102 ILE 2HD1 : -0.444: 0
: 2433:M 102 ILE O :M 106 LEU HG : -0.415: 0
: 2433:M 111 LYS 2HB :M 108 VAL O : -0.481: 0
: 2433:M 156 GLU C :M 158 HIS H : -0.479: 0
: 2433:M 128 THR 2HG2 :M 125 ASN HA : -0.478: 0
: 2433:M 25 LYS 2HE :M 25 LYS 2HB : -0.458: 0
: 2433:M 116 PRO 1HD :M 115 THR HB : -0.456: 0
: 2433:M 148 LYS 2HE :M 148 LYS 1HB : -0.452: 0
: 2433:M 20 LEU HG :M 16 ILE O : -0.452: 0
: 2433:M 144 ASP O :M 148 LYS 1HB : -0.446: 0
: 2433:M 16 ILE 2HG1 :M 12 VAL O : -0.420: 0
: 2433:M 30 PRO 1HD :M 29 THR HB : -0.442: 0
: 2433:M 39 ASN HA :M 42 THR 2HG2 : -0.438: 0
: 2433:M 93 TYR HA :M 90 VAL HB : -0.438: 0
: 2433:M 64 LEU O :M 68 VAL 3HG2 : -0.426: 0
: 2433:M 147 THR HA :M 150 LEU 2HD1 : -0.422: 0
: 2433:M 61 THR 2HG2 :M 147 THR 2HG2 : -0.419: 0
: 2433:M 150 LEU O :M 154 VAL 3HG2 : -0.402: 0
: 2433:M 147 THR 2HG2 :M 61 THR HA : -0.401: 0
: 2433:M 96 GLU CD :M 96 GLU H : -0.417: 0
: 2433:M 133 GLN 2HG :M 129 ASN O : -0.415: 0
: 2433:M 8 SER H :M 7 TYR 1HB : -0.409: 0
: 2433:M 146 PHE HE1 :M 34 LEU O : -0.405: 0
: 2433:M 2 PRO 2HD :M 1 MET HA : -0.401: 0
#sum2 ::21.37 clashscore : 21.37 clashscore B<40
#summary::2433 atoms:2433 atoms B<40:272664 potential dots:17040.0 A^2:52 bumps:52 bumps B<40:702.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2433:M 134 VAL 2HG2 :M 30 PRO 2HB : -0.885: 0
: 2433:M 30 PRO 1HD :M 29 THR 2HG2 : -0.615: 0
: 2433:M 135 PRO 1HB :M 138 LYS 1HG : -0.549: 0
: 2433:M 135 PRO 1HD :M 134 VAL CG1 : -0.404: 0
: 2433:M 151 LYS 1HG :M 57 VAL 2HG2 : -0.690: 0
: 2433:M 65 LYS 2HD :M 144 ASP HA : -0.545: 0
: 2433:M 151 LYS 2HG :M 61 THR 1HG2 : -0.479: 0
: 2433:M 69 LEU HG :M 65 LYS O : -0.468: 0
: 2433:M 151 LYS 1HG :M 57 VAL CG2 : -0.417: 0
: 2433:M 147 THR HB :M 61 THR HB : -0.401: 0
: 2433:M 147 THR 1HG2 :M 65 LYS 2HG : -0.400: 0
: 2433:M 123 LEU O :M 127 VAL 3HG2 : -0.606: 0
: 2433:M 109 LEU 2HD2 :M 114 VAL 1HG2 : -0.599: 0
: 2433:M 97 ARG O :M 101 ILE 2HG1 : -0.576: 0
: 2433:M 101 ILE O :M 105 LEU HG : -0.571: 0
: 2433:M 37 LEU O :M 41 VAL 3HG2 : -0.553: 0
: 2433:M 11 ARG O :M 15 ILE 2HG1 : -0.537: 0
: 2433:M 26 GLU 2HG :M 101 ILE 1HG1 : -0.537: 0
: 2433:M 105 LEU O :M 109 LEU HG : -0.508: 0
: 2433:M 112 GLU 2HG :M 15 ILE 1HG1 : -0.506: 0
: 2433:M 127 VAL 2HG2 :M 37 LEU 3HD1 : -0.473: 0
: 2433:M 112 GLU 1HB :M 114 VAL 3HG1 : -0.466: 0
: 2433:M 45 ILE 2HG1 :M 41 VAL O : -0.463: 0
: 2433:M 109 LEU 2HD1 :M 106 LEU 3HD2 : -0.454: 0
: 2433:M 37 LEU 3HD2 :M 105 LEU 3HD1 : -0.450: 0
: 2433:M 106 LEU O :M 110 VAL 3HG2 : -0.443: 0
: 2433:M 143 VAL HB :M 131 ILE 3HD1 : -0.549: 0
: 2433:M 120 LEU HG :M 116 PRO O : -0.528: 0
: 2433:M 48 VAL 2HG1 :M 52 LYS 2HG : -0.511: 0
: 2433:M 48 VAL 2HG2 :M 116 PRO 2HB : -0.511: 0
: 2433:M 48 VAL CG1 :M 52 LYS 2HG : -0.464: 0
: 2433:M 52 LYS 2HD :M 49 PRO 1HG : -0.437: 0
: 2433:M 136 GLU HA :M 139 ARG CD : -0.515: 0
: 2433:M 139 ARG 2HG :M 136 GLU HA : -0.491: 0
: 2433:M 139 ARG CG :M 136 GLU HA : -0.436: 0
: 2433:M 130 ILE 1HG1 :M 126 ALA O : -0.501: 0
: 2433:M 8 SER O :M 12 VAL 3HG2 : -0.488: 0
: 2433:M 64 LEU O :M 68 VAL 3HG2 : -0.488: 0
: 2433:M 20 LEU HG :M 16 ILE O : -0.481: 0
: 2433:M 16 ILE 2HG1 :M 12 VAL O : -0.437: 0
: 2433:M 23 LEU 2HD1 :M 20 LEU 3HD2 : -0.418: 0
: 2433:M 2 PRO 2HD :M 1 MET HA : -0.456: 0
: 2433:M 10 GLU H :M 10 GLU CD : -0.449: 0
: 2433:M 154 VAL 3HG2 :M 150 LEU O : -0.438: 0
: 2433:M 157 HIS HD2 :M 154 VAL HA : -0.401: 0
: 2433:M 125 ASN 1HB :M 121 MET O : -0.434: 0
: 2433:M 94 SER O :M 98 VAL 3HG2 : -0.424: 0
: 2433:M 21 ASP O :M 25 LYS 1HB : -0.420: 0
: 2433:M 32 LEU 1HB :M 93 TYR CZ : -0.417: 0
#sum2 ::20.14 clashscore : 20.14 clashscore B<40
#summary::2433 atoms:2433 atoms B<40:272781 potential dots:17050.0 A^2:49 bumps:49 bumps B<40:687.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2433:M 2 PRO 2HD :M 1 MET 2HB : -0.680: 0
: 2433:M 2 PRO CD :M 1 MET 2HB : -0.501: 0
: 2433:M 147 THR HB :M 61 THR HB : -0.674: 0
: 2433:M 61 THR O :M 65 LYS 2HG : -0.482: 0
: 2433:M 147 THR 1HG2 :M 65 LYS 2HG : -0.472: 0
: 2433:M 143 VAL 1HG2 :M 65 LYS HA : -0.405: 0
: 2433:M 48 VAL 2HG2 :M 116 PRO 2HB : -0.653: 0
: 2433:M 98 VAL 2HG2 :M 32 LEU 1HD1 : -0.642: 0
: 2433:M 94 SER O :M 98 VAL 3HG2 : -0.533: 0
: 2433:M 157 HIS 1HB :M 153 SER O : -0.620: 0
: 2433:M 37 LEU O :M 41 VAL 3HG2 : -0.596: 0
: 2433:M 45 ILE 3HD1 :M 57 VAL HB : -0.486: 0
: 2433:M 23 LEU 2HD1 :M 20 LEU 3HD2 : -0.438: 0
: 2433:M 24 VAL 3HG2 :M 20 LEU O : -0.428: 0
: 2433:M 23 LEU 1HD1 :M 37 LEU 1HD2 : -0.418: 0
: 2433:M 45 ILE 2HG1 :M 41 VAL O : -0.409: 0
: 2433:M 11 ARG O :M 15 ILE 2HG1 : -0.585: 0
: 2433:M 11 ARG 1HG :M 11 ARG 1HH1 : -0.497: 0
: 2433:M 19 LEU HG :M 15 ILE O : -0.479: 0
: 2433:M 101 ILE O :M 105 LEU HG : -0.573: 0
: 2433:M 97 ARG O :M 101 ILE 2HG1 : -0.559: 0
: 2433:M 64 LEU 1HB :M 60 PHE O : -0.549: 0
: 2433:M 134 VAL HB :M 135 PRO 1HD : -0.548: 0
: 2433:M 136 GLU 1HG :M 139 ARG NH1 : -0.522: 0
: 2433:M 142 VAL 2HG2 :M 138 LYS O : -0.479: 0
: 2433:M 139 ARG 2HG :M 135 PRO O : -0.463: 0
: 2433:M 139 ARG CZ :M 136 GLU 1HG : -0.452: 0
: 2433:M 138 LYS 1HG :M 135 PRO 1HG : -0.446: 0
: 2433:M 139 ARG CG :M 136 GLU HA : -0.440: 0
: 2433:M 139 ARG 2HG :M 136 GLU HA : -0.401: 0
: 2433:M 73 HIS 1HB :M 72 HIS O : -0.539: 0
: 2433:M 99 GLU HA :M 102 ILE 2HD1 : -0.515: 0
: 2433:M 102 ILE O :M 106 LEU HG : -0.479: 0
: 2433:M 40 ALA O :M 44 ILE 1HG1 : -0.463: 0
: 2433:M 40 ALA 2HB :M 102 ILE 3HG2 : -0.452: 0
: 2433:M 106 LEU O :M 110 VAL 3HG2 : -0.415: 0
: 2433:M 30 PRO O :M 34 LEU HG : -0.504: 0
: 2433:M 130 ILE 1HG1 :M 126 ALA O : -0.470: 0
: 2433:M 130 ILE 1HG2 :M 33 ALA 3HB : -0.414: 0
: 2433:M 123 LEU O :M 127 VAL 3HG2 : -0.461: 0
: 2433:M 119 ALA O :M 123 LEU HG : -0.411: 0
: 2433:M 108 VAL O :M 112 GLU 1HG : -0.451: 0
: 2433:M 104 ASP O :M 108 VAL 3HG2 : -0.433: 0
: 2433:M 112 GLU 1HB :M 114 VAL 3HG1 : -0.403: 0
: 2433:M 128 THR 2HG2 :M 71 HIS CE1 : -0.418: 0
#sum2 ::18.50 clashscore : 18.50 clashscore B<40
#summary::2433 atoms:2433 atoms B<40:272465 potential dots:17030.0 A^2:45 bumps:45 bumps B<40:683 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2433:M 88 PRO 2HD :M 87 MET 2HB : -0.817: 0
: 2433:M 118 LEU H :M 115 THR 3HG2 : -0.616: 0
: 2433:M 20 LEU HG :M 16 ILE O : -0.504: 0
: 2433:M 118 LEU 1HD1 :M 12 VAL 2HG2 : -0.461: 0
: 2433:M 16 ILE 2HG1 :M 12 VAL O : -0.406: 0
: 2433:M 60 PHE CE2 :M 41 VAL 1HG1 : -0.607: 0
: 2433:M 19 LEU HG :M 15 ILE O : -0.516: 0
: 2433:M 127 VAL 2HG2 :M 37 LEU 3HD1 : -0.514: 0
: 2433:M 11 ARG O :M 15 ILE 2HG1 : -0.507: 0
: 2433:M 123 LEU 3HD1 :M 41 VAL 2HG2 : -0.486: 0
: 2433:M 123 LEU O :M 127 VAL 3HG2 : -0.477: 0
: 2433:M 37 LEU O :M 41 VAL 3HG2 : -0.454: 0
: 2433:M 146 PHE CE2 :M 127 VAL 1HG1 : -0.454: 0
: 2433:M 37 LEU HG :M 33 ALA O : -0.406: 0
: 2433:M 123 LEU 3HD2 :M 19 LEU 3HD1 : -0.405: 0
: 2433:M 2 PRO 1HD :M 1 MET N : -0.606: 0
: 2433:M 1 MET N :M 2 PRO CD : -0.416: 0
: 2433:M 2 PRO 1HD :M 1 MET 3H : -0.400: 0
: 2433:M 147 THR HB :M 61 THR HB : -0.600: 0
: 2433:M 61 THR 2HG2 :M 147 THR 2HG2 : -0.585: 0
: 2433:M 151 LYS 1HG :M 57 VAL 2HG2 : -0.549: 0
: 2433:M 45 ILE 2HG2 :M 53 ARG 2HG : -0.547: 0
: 2433:M 151 LYS 2HG :M 61 THR 1HG2 : -0.522: 0
: 2433:M 155 LEU HG :M 151 LYS O : -0.506: 0
: 2433:M 147 THR O :M 151 LYS 2HG : -0.476: 0
: 2433:M 45 ILE 1HG2 :M 57 VAL HB : -0.447: 0
: 2433:M 50 GLU HA :M 53 ARG CB : -0.430: 0
: 2433:M 50 GLU CD :M 159 HIS 1HB : -0.429: 0
: 2433:M 159 HIS 1HB :M 50 GLU OE2 : -0.403: 0
: 2433:M 97 ARG O :M 101 ILE 2HG1 : -0.589: 0
: 2433:M 26 GLU 2HG :M 101 ILE 1HG1 : -0.543: 0
: 2433:M 26 GLU 1HB :M 28 VAL 3HG1 : -0.513: 0
: 2433:M 23 LEU 2HD2 :M 28 VAL 1HG2 : -0.468: 0
: 2433:M 100 LYS 2HB :M 97 ARG HA : -0.413: 0
: 2433:M 139 ARG 2HG :M 131 ILE 2HG2 : -0.569: 0
: 2433:M 143 VAL 2HG2 :M 65 LYS 1HG : -0.513: 0
: 2433:M 131 ILE O :M 134 VAL 2HG2 : -0.479: 0
: 2433:M 69 LEU HG :M 65 LYS O : -0.454: 0
: 2433:M 143 VAL HB :M 131 ILE 1HG2 : -0.422: 0
: 2433:M 136 GLU HA :M 139 ARG CB : -0.406: 0
: 2433:M 43 ASN O :M 47 GLN 2HG : -0.558: 0
: 2433:M 157 HIS 1HB :M 153 SER O : -0.543: 0
: 2433:M 120 LEU HG :M 116 PRO O : -0.540: 0
: 2433:M 29 THR 3HG2 :M 32 LEU H : -0.538: 0
: 2433:M 128 THR 2HG2 :M 125 ASN HA : -0.527: 0
: 2433:M 71 HIS HE1 :M 128 THR 3HG2 : -0.495: 0
: 2433:M 130 ILE 1HG1 :M 126 ALA O : -0.509: 0
: 2433:M 94 SER O :M 98 VAL 3HG2 : -0.502: 0
: 2433:M 102 ILE 2HG1 :M 98 VAL O : -0.496: 0
: 2433:M 102 ILE O :M 106 LEU HG : -0.483: 0
: 2433:M 106 LEU O :M 110 VAL 3HG2 : -0.409: 0
: 2433:M 64 LEU O :M 68 VAL 3HG2 : -0.495: 0
: 2433:M 138 LYS O :M 142 VAL 3HG2 : -0.479: 0
: 2433:M 42 THR HA :M 154 VAL 2HG2 : -0.471: 0
: 2433:M 40 ALA O :M 44 ILE 1HG1 : -0.465: 0
: 2433:M 148 LYS 2HE :M 148 LYS 1HB : -0.422: 0
#sum2 ::23.02 clashscore : 23.02 clashscore B<40
#summary::2433 atoms:2433 atoms B<40:272640 potential dots:17040.0 A^2:56 bumps:56 bumps B<40:692.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2433:M 98 VAL 2HG2 :M 32 LEU 1HD1 : -0.674: 0
: 2433:M 29 THR 3HG2 :M 32 LEU H : -0.524: 0
: 2433:M 94 SER O :M 98 VAL 3HG2 : -0.425: 0
: 2433:M 112 GLU 1HB :M 114 VAL 3HG1 : -0.662: 0
: 2433:M 50 GLU HA :M 53 ARG CB : -0.609: 0
: 2433:M 11 ARG O :M 15 ILE 2HG1 : -0.590: 0
: 2433:M 123 LEU O :M 127 VAL 3HG2 : -0.577: 0
: 2433:M 127 VAL 2HG2 :M 37 LEU 3HD1 : -0.567: 0
: 2433:M 45 ILE 2HG2 :M 53 ARG 2HG : -0.558: 0
: 2433:M 37 LEU O :M 41 VAL 3HG2 : -0.539: 0
: 2433:M 53 ARG 1HB :M 50 GLU HA : -0.539: 0
: 2433:M 112 GLU 2HG :M 15 ILE 1HG1 : -0.538: 0
: 2433:M 123 LEU 3HD2 :M 19 LEU 3HD1 : -0.502: 0
: 2433:M 45 ILE 2HG1 :M 41 VAL O : -0.486: 0
: 2433:M 19 LEU HG :M 15 ILE O : -0.404: 0
: 2433:M 33 ALA O :M 37 LEU HG : -0.403: 0
: 2433:M 139 ARG 2HB :M 136 GLU HA : -0.604: 0
: 2433:M 139 ARG 2HG :M 131 ILE 2HG2 : -0.553: 0
: 2433:M 136 GLU HA :M 139 ARG CB : -0.524: 0
: 2433:M 102 ILE O :M 106 LEU HG : -0.584: 0
: 2433:M 106 LEU O :M 110 VAL 3HG2 : -0.525: 0
: 2433:M 108 VAL O :M 111 LYS 1HG : -0.562: 0
: 2433:M 111 LYS 2HE :M 108 VAL 3HG1 : -0.449: 0
: 2433:M 104 ASP O :M 108 VAL 3HG2 : -0.443: 0
: 2433:M 18 ASP 2HB :M 108 VAL CG1 : -0.403: 0
: 2433:M 97 ARG O :M 101 ILE 2HG1 : -0.531: 0
: 2433:M 26 GLU 1HB :M 28 VAL 3HG1 : -0.529: 0
: 2433:M 101 ILE O :M 105 LEU HG : -0.494: 0
: 2433:M 26 GLU 2HG :M 101 ILE 1HG1 : -0.460: 0
: 2433:M 120 LEU HG :M 116 PRO O : -0.522: 0
: 2433:M 48 VAL 2HG2 :M 116 PRO CB : -0.504: 0
: 2433:M 61 THR O :M 65 LYS 2HG : -0.501: 0
: 2433:M 66 GLN 1HG :M 62 LYS O : -0.496: 0
: 2433:M 10 GLU CD :M 10 GLU H : -0.493: 0
: 2433:M 125 ASN 1HB :M 121 MET O : -0.486: 0
: 2433:M 7 TYR H :M 4 VAL 2HG1 : -0.476: 0
: 2433:M 4 VAL HB :M 7 TYR CD1 : -0.407: 0
: 2433:M 126 ALA 2HB :M 16 ILE 3HG2 : -0.473: 0
: 2433:M 130 ILE 1HG1 :M 126 ALA O : -0.450: 0
: 2433:M 16 ILE 2HG1 :M 12 VAL O : -0.419: 0
: 2433:M 24 VAL 3HG2 :M 20 LEU O : -0.416: 0
: 2433:M 20 LEU HG :M 16 ILE O : -0.413: 0
: 2433:M 40 ALA O :M 44 ILE 1HG1 : -0.446: 0
: 2433:M 138 LYS 2HG :M 134 VAL 2HG1 : -0.444: 0
: 2433:M 157 HIS H :M 156 GLU 2HB : -0.436: 0
: 2433:M 157 HIS 1HB :M 153 SER O : -0.427: 0
: 2433:M 96 GLU CD :M 96 GLU H : -0.429: 0
#sum2 ::19.32 clashscore : 19.32 clashscore B<40
#summary::2433 atoms:2433 atoms B<40:272636 potential dots:17040.0 A^2:47 bumps:47 bumps B<40:770.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2433:M 143 VAL 2HG2 :M 65 LYS 1HG : -0.609: 0
: 2433:M 147 THR 1HG2 :M 65 LYS 2HG : -0.534: 0
: 2433:M 147 THR HB :M 61 THR HB : -0.524: 0
: 2433:M 61 THR 2HG2 :M 147 THR 2HG2 : -0.500: 0
: 2433:M 24 VAL 2HG1 :M 21 ASP HA : -0.568: 0
: 2433:M 24 VAL 2HG1 :M 21 ASP O : -0.455: 0
: 2433:M 21 ASP O :M 25 LYS 2HG : -0.452: 0
: 2433:M 123 LEU O :M 127 VAL 3HG2 : -0.566: 0
: 2433:M 97 ARG O :M 101 ILE 2HG1 : -0.552: 0
: 2433:M 105 LEU O :M 109 LEU HG : -0.519: 0
: 2433:M 37 LEU O :M 41 VAL 3HG2 : -0.503: 0
: 2433:M 123 LEU 3HD2 :M 19 LEU 3HD1 : -0.491: 0
: 2433:M 101 ILE O :M 105 LEU HG : -0.490: 0
: 2433:M 146 PHE CE2 :M 127 VAL 1HG1 : -0.471: 0
: 2433:M 127 VAL 2HG2 :M 37 LEU 3HD1 : -0.441: 0
: 2433:M 37 LEU 3HD2 :M 105 LEU 3HD1 : -0.431: 0
: 2433:M 139 ARG 2HG :M 131 ILE 2HG2 : -0.563: 0
: 2433:M 136 GLU HA :M 139 ARG CB : -0.423: 0
: 2433:M 26 GLU 1HB :M 28 VAL 3HG1 : -0.558: 0
: 2433:M 15 ILE 3HD1 :M 114 VAL 2HG1 : -0.548: 0
: 2433:M 112 GLU 2HG :M 15 ILE 1HG1 : -0.526: 0
: 2433:M 11 ARG O :M 15 ILE 2HG1 : -0.477: 0
: 2433:M 15 ILE 1HG1 :M 112 GLU CG : -0.432: 0
: 2433:M 160 HIS O :M 161 HIS 1HB : -0.545: 0
: 2433:M 45 ILE 3HD1 :M 57 VAL HB : -0.544: 0
: 2433:M 62 LYS O :M 66 GLN 2HG : -0.541: 0
: 2433:M 66 GLN 2HE2 :M 62 LYS 2HG : -0.473: 0
: 2433:M 125 ASN 1HB :M 121 MET O : -0.534: 0
: 2433:M 96 GLU CD :M 96 GLU H : -0.531: 0
: 2433:M 116 PRO 1HD :M 115 THR OG1 : -0.506: 0
: 2433:M 16 ILE 2HG1 :M 12 VAL O : -0.485: 0
: 2433:M 8 SER O :M 12 VAL 3HG2 : -0.474: 0
: 2433:M 12 VAL 2HG2 :M 118 LEU CD1 : -0.408: 0
: 2433:M 53 ARG 2HD :M 48 VAL O : -0.476: 0
: 2433:M 50 GLU CD :M 53 ARG 1HH2 : -0.447: 0
: 2433:M 154 VAL 3HG2 :M 150 LEU O : -0.470: 0
: 2433:M 133 GLN 2HG :M 129 ASN O : -0.464: 0
: 2433:M 129 ASN C :M 129 ASN 2HD2 : -0.427: 0
: 2433:M 76 HIS 2HB :M 75 HIS O : -0.458: 0
: 2433:M 98 VAL 2HG2 :M 32 LEU 1HD1 : -0.458: 0
: 2433:M 90 VAL O :M 90 VAL 2HG1 : -0.440: 0
: 2433:M 89 ILE 2HG1 :M 90 VAL 3HG2 : -0.429: 0
: 2433:M 22 VAL 3HG2 :M 18 ASP O : -0.431: 0
: 2433:M 120 LEU O :M 60 PHE HE1 : -0.428: 0
: 2433:M 68 VAL 3HG2 :M 64 LEU O : -0.409: 0
: 2433:M 64 LEU 1HB :M 60 PHE O : -0.407: 0
: 2433:M 2 PRO 1HD :M 1 MET HA : -0.415: 0
: 2433:M 155 LEU HG :M 151 LYS O : -0.405: 0
: 2433:M 130 ILE 1HG1 :M 126 ALA O : -0.404: 0
#sum2 ::20.14 clashscore : 20.14 clashscore B<40
#summary::2433 atoms:2433 atoms B<40:272623 potential dots:17040.0 A^2:49 bumps:49 bumps B<40:751.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2433:M 4 VAL 2HG1 :M 7 TYR HD2 : -0.718: 0
: 2433:M 4 VAL 2HG1 :M 7 TYR CD2 : -0.463: 0
: 2433:M 46 ALA HA :M 53 ARG NH1 : -0.623: 0
: 2433:M 53 ARG 2HB :M 50 GLU HA : -0.592: 0
: 2433:M 50 GLU HA :M 53 ARG CB : -0.575: 0
: 2433:M 53 ARG 1HH1 :M 46 ALA HA : -0.460: 0
: 2433:M 151 LYS 1HG :M 57 VAL 2HG2 : -0.611: 0
: 2433:M 147 THR HB :M 61 THR HB : -0.584: 0
: 2433:M 151 LYS 2HG :M 61 THR 1HG2 : -0.577: 0
: 2433:M 151 LYS 2HD :M 58 ASP HA : -0.512: 0
: 2433:M 61 THR 2HG2 :M 147 THR 2HG2 : -0.508: 0
: 2433:M 151 LYS O :M 155 LEU 1HB : -0.488: 0
: 2433:M 37 LEU O :M 41 VAL 3HG2 : -0.591: 0
: 2433:M 11 ARG O :M 15 ILE 2HG1 : -0.575: 0
: 2433:M 123 LEU 3HD1 :M 41 VAL 2HG2 : -0.555: 0
: 2433:M 19 LEU HG :M 15 ILE O : -0.554: 0
: 2433:M 123 LEU O :M 127 VAL 3HG2 : -0.509: 0
: 2433:M 123 LEU 3HD2 :M 19 LEU 3HD1 : -0.473: 0
: 2433:M 37 LEU 3HD2 :M 105 LEU 3HD1 : -0.445: 0
: 2433:M 139 ARG 1HG :M 136 GLU HA : -0.582: 0
: 2433:M 128 THR 1HG2 :M 67 SER 1HB : -0.582: 0
: 2433:M 142 VAL 2HG2 :M 139 ARG HA : -0.489: 0
: 2433:M 67 SER 1HB :M 128 THR CG2 : -0.422: 0
: 2433:M 100 LYS 1HB :M 96 GLU O : -0.579: 0
: 2433:M 48 VAL 2HG1 :M 52 LYS 2HG : -0.573: 0
: 2433:M 48 VAL CG1 :M 52 LYS 2HG : -0.562: 0
: 2433:M 133 GLN 2HG :M 129 ASN O : -0.557: 0
: 2433:M 20 LEU HG :M 16 ILE O : -0.542: 0
: 2433:M 23 LEU 3HD1 :M 130 ILE 1HD1 : -0.515: 0
: 2433:M 106 LEU O :M 110 VAL 3HG2 : -0.493: 0
: 2433:M 102 ILE O :M 106 LEU HG : -0.425: 0
: 2433:M 102 ILE 2HG1 :M 98 VAL O : -0.417: 0
: 2433:M 143 VAL HB :M 131 ILE 1HG2 : -0.481: 0
: 2433:M 143 VAL 1HG2 :M 68 VAL 1HG2 : -0.408: 0
: 2433:M 97 ARG O :M 101 ILE 2HG1 : -0.475: 0
: 2433:M 26 GLU 1HB :M 28 VAL 3HG1 : -0.462: 0
: 2433:M 97 ARG 1HH2 :M 26 GLU CD : -0.437: 0
: 2433:M 26 GLU 2HG :M 101 ILE 1HG1 : -0.422: 0
: 2433:M 8 SER O :M 12 VAL 3HG2 : -0.466: 0
: 2433:M 18 ASP 2HB :M 108 VAL 1HG1 : -0.464: 0
: 2433:M 120 LEU HG :M 116 PRO O : -0.461: 0
: 2433:M 152 GLN 2HG :M 148 LYS O : -0.459: 0
: 2433:M 30 PRO O :M 34 LEU HG : -0.459: 0
: 2433:M 112 GLU 1HB :M 114 VAL 3HG1 : -0.452: 0
: 2433:M 87 MET N :M 88 PRO 1HD : -0.444: 0
: 2433:M 35 MET O :M 39 ASN 1HB : -0.430: 0
: 2433:M 40 ALA O :M 44 ILE 1HG1 : -0.414: 0
: 2433:M 63 ALA O :M 66 GLN 2HG : -0.410: 0
: 2433:M 135 PRO 1HD :M 134 VAL CG1 : -0.410: 0
#sum2 ::20.14 clashscore : 20.14 clashscore B<40
#summary::2433 atoms:2433 atoms B<40:272722 potential dots:17050.0 A^2:49 bumps:49 bumps B<40:748.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2433:M 114 VAL HA :M 118 LEU 3HD2 : -0.665: 0
: 2433:M 114 VAL CG2 :M 109 LEU 1HB : -0.646: 0
: 2433:M 114 VAL 2HG2 :M 109 LEU 1HB : -0.556: 0
: 2433:M 109 LEU C :M 109 LEU 2HD1 : -0.468: 0
: 2433:M 102 ILE 2HG1 :M 98 VAL O : -0.465: 0
: 2433:M 98 VAL 2HG2 :M 32 LEU 1HD1 : -0.457: 0
: 2433:M 106 LEU O :M 110 VAL 3HG2 : -0.446: 0
: 2433:M 15 ILE 3HD1 :M 114 VAL 2HG1 : -0.431: 0
: 2433:M 118 LEU 1HB :M 7 TYR OH : -0.423: 0
: 2433:M 102 ILE O :M 106 LEU HG : -0.422: 0
: 2433:M 11 ARG O :M 15 ILE 2HG1 : -0.420: 0
: 2433:M 19 LEU HG :M 15 ILE O : -0.406: 0
: 2433:M 118 LEU 2HD2 :M 7 TYR CE1 : -0.405: 0
: 2433:M 106 LEU O :M 109 LEU HG : -0.401: 0
: 2433:M 26 GLU 1HB :M 28 VAL 3HG1 : -0.657: 0
: 2433:M 97 ARG O :M 101 ILE 2HG1 : -0.533: 0
: 2433:M 26 GLU 2HG :M 101 ILE 1HG1 : -0.521: 0
: 2433:M 101 ILE O :M 105 LEU HG : -0.497: 0
: 2433:M 97 ARG O :M 100 LYS 2HB : -0.477: 0
: 2433:M 123 LEU O :M 127 VAL 3HG2 : -0.601: 0
: 2433:M 127 VAL 2HG2 :M 37 LEU 3HD1 : -0.539: 0
: 2433:M 37 LEU O :M 41 VAL 3HG2 : -0.534: 0
: 2433:M 123 LEU 3HD1 :M 41 VAL 2HG2 : -0.508: 0
: 2433:M 45 ILE 2HG1 :M 41 VAL O : -0.481: 0
: 2433:M 131 ILE 2HG1 :M 127 VAL O : -0.447: 0
: 2433:M 119 ALA O :M 123 LEU HG : -0.418: 0
: 2433:M 127 VAL 2HG1 :M 131 ILE CD1 : -0.410: 0
: 2433:M 71 HIS 1HB :M 67 SER O : -0.600: 0
: 2433:M 111 LYS 2HB :M 108 VAL O : -0.599: 0
: 2433:M 104 ASP O :M 108 VAL 3HG2 : -0.540: 0
: 2433:M 18 ASP 2HB :M 108 VAL 1HG1 : -0.415: 0
: 2433:M 53 ARG 2HB :M 50 GLU HA : -0.593: 0
: 2433:M 50 GLU OE2 :M 53 ARG 1HD : -0.450: 0
: 2433:M 50 GLU HA :M 53 ARG CB : -0.438: 0
: 2433:M 152 GLN O :M 156 GLU 1HG : -0.583: 0
: 2433:M 139 ARG 2HB :M 136 GLU HA : -0.572: 0
: 2433:M 136 GLU HA :M 139 ARG CB : -0.561: 0
: 2433:M 116 PRO 1HD :M 115 THR 2HG2 : -0.567: 0
: 2433:M 120 LEU CD1 :M 56 VAL HB : -0.543: 0
: 2433:M 20 LEU HG :M 16 ILE O : -0.526: 0
: 2433:M 24 VAL 3HG2 :M 20 LEU O : -0.492: 0
: 2433:M 16 ILE 2HG1 :M 12 VAL O : -0.413: 0
: 2433:M 130 ILE 3HD1 :M 33 ALA CB : -0.523: 0
: 2433:M 87 MET 2HB :M 89 ILE 2HG2 : -0.521: 0
: 2433:M 14 LYS 2HD :M 14 LYS C : -0.499: 0
: 2433:M 158 HIS CE1 :M 155 LEU HA : -0.496: 0
: 2433:M 94 SER 1HB :M 88 PRO 1HB : -0.493: 0
: 2433:M 94 SER CB :M 88 PRO 1HB : -0.468: 0
: 2433:M 142 VAL HB :M 34 LEU CD1 : -0.488: 0
: 2433:M 30 PRO O :M 34 LEU HG : -0.487: 0
: 2433:M 134 VAL 2HG2 :M 30 PRO CB : -0.462: 0
: 2433:M 138 LYS 2HG :M 134 VAL CG1 : -0.427: 0
: 2433:M 30 PRO 1HD :M 29 THR HB : -0.410: 0
: 2433:M 44 ILE O :M 48 VAL 3HG2 : -0.477: 0
: 2433:M 154 VAL 3HG2 :M 150 LEU O : -0.442: 0
#sum2 ::22.61 clashscore : 22.61 clashscore B<40
#summary::2433 atoms:2433 atoms B<40:272477 potential dots:17030.0 A^2:55 bumps:55 bumps B<40:714.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2433:M 88 PRO 2HD :M 87 MET 2HB : -0.840: 0
: 2433:M 139 ARG 2HD :M 136 GLU HA : -0.599: 0
: 2433:M 139 ARG 1HB :M 136 GLU HA : -0.551: 0
: 2433:M 139 ARG 1HH1 :M 139 ARG 1HG : -0.421: 0
: 2433:M 139 ARG NH1 :M 139 ARG 1HG : -0.406: 0
: 2433:M 53 ARG 1HH1 :M 46 ALA HA : -0.592: 0
: 2433:M 53 ARG 1HH2 :M 50 GLU 1HG : -0.523: 0
: 2433:M 46 ALA HA :M 53 ARG NH1 : -0.483: 0
: 2433:M 50 GLU HA :M 53 ARG CB : -0.404: 0
: 2433:M 123 LEU O :M 127 VAL 3HG2 : -0.571: 0
: 2433:M 112 GLU 1HB :M 114 VAL 3HG1 : -0.549: 0
: 2433:M 37 LEU O :M 41 VAL 3HG2 : -0.533: 0
: 2433:M 109 LEU 2HD2 :M 114 VAL 1HG2 : -0.528: 0
: 2433:M 123 LEU 3HD1 :M 41 VAL 2HG2 : -0.528: 0
: 2433:M 123 LEU 3HD2 :M 19 LEU 3HD1 : -0.493: 0
: 2433:M 23 LEU 1HD1 :M 37 LEU 1HD2 : -0.469: 0
: 2433:M 11 ARG O :M 15 ILE 2HG1 : -0.467: 0
: 2433:M 105 LEU O :M 109 LEU HG : -0.454: 0
: 2433:M 101 ILE O :M 105 LEU HG : -0.447: 0
: 2433:M 19 LEU HG :M 15 ILE O : -0.437: 0
: 2433:M 112 GLU 2HB :M 11 ARG NH2 : -0.418: 0
: 2433:M 97 ARG O :M 101 ILE 2HG1 : -0.417: 0
: 2433:M 64 LEU O :M 68 VAL 3HG2 : -0.545: 0
: 2433:M 102 ILE 1HG1 :M 36 CYS HA : -0.512: 0
: 2433:M 9 ASN O :M 13 GLU 2HG : -0.483: 0
: 2433:M 61 THR 2HG2 :M 147 THR 2HG2 : -0.475: 0
: 2433:M 147 THR O :M 151 LYS 2HG : -0.463: 0
: 2433:M 70 GLU 1HG :M 66 GLN 1HG : -0.474: 0
: 2433:M 70 GLU 2HG :M 66 GLN O : -0.472: 0
: 2433:M 8 SER O :M 12 VAL 3HG2 : -0.467: 0
: 2433:M 30 PRO O :M 34 LEU HG : -0.464: 0
: 2433:M 40 ALA O :M 44 ILE 1HG1 : -0.458: 0
: 2433:M 128 THR 1HG2 :M 67 SER 2HB : -0.454: 0
: 2433:M 6 LYS 1HG :M 7 TYR CD2 : -0.442: 0
: 2433:M 118 LEU 3HD1 :M 7 TYR CD2 : -0.432: 0
: 2433:M 118 LEU H :M 115 THR 3HG2 : -0.413: 0
: 2433:M 120 LEU HG :M 116 PRO O : -0.437: 0
: 2433:M 142 VAL 2HG2 :M 138 LYS O : -0.429: 0
: 2433:M 152 GLN 2HG :M 148 LYS O : -0.425: 0
: 2433:M 24 VAL 3HG2 :M 20 LEU O : -0.422: 0
: 2433:M 130 ILE 1HG1 :M 126 ALA O : -0.417: 0
: 2433:M 104 ASP O :M 108 VAL 3HG2 : -0.409: 0
: 2433:M 143 VAL 2HG1 :M 140 VAL HA : -0.403: 0
: 2433:M 150 LEU O :M 154 VAL 3HG2 : -0.403: 0
: 2433:M 98 VAL 3HG2 :M 94 SER O : -0.402: 0
#sum2 ::18.50 clashscore : 18.50 clashscore B<40
#summary::2433 atoms:2433 atoms B<40:272645 potential dots:17040.0 A^2:45 bumps:45 bumps B<40:728.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2433:M 71 HIS 2HB :M 67 SER O : -0.807: 0
: 2433:M 138 LYS 2HD :M 135 PRO 1HB : -0.740: 0
: 2433:M 135 PRO 1HB :M 138 LYS CD : -0.408: 0
: 2433:M 53 ARG 2HD :M 48 VAL O : -0.725: 0
: 2433:M 50 GLU CD :M 53 ARG 1HH2 : -0.550: 0
: 2433:M 139 ARG CZ :M 136 GLU 1HG : -0.690: 0
: 2433:M 61 THR 2HG2 :M 147 THR 2HG2 : -0.617: 0
: 2433:M 136 GLU 1HG :M 139 ARG NH1 : -0.607: 0
: 2433:M 65 LYS 1HD :M 143 VAL 2HG2 : -0.564: 0
: 2433:M 61 THR O :M 65 LYS 1HG : -0.558: 0
: 2433:M 147 THR OG1 :M 65 LYS 2HD : -0.509: 0
: 2433:M 147 THR O :M 151 LYS 2HG : -0.500: 0
: 2433:M 147 THR HB :M 61 THR HB : -0.484: 0
: 2433:M 136 GLU HA :M 139 ARG CB : -0.481: 0
: 2433:M 139 ARG 2HG :M 131 ILE 2HG2 : -0.469: 0
: 2433:M 69 LEU HG :M 65 LYS O : -0.455: 0
: 2433:M 72 HIS 1HB :M 139 ARG 2HH1 : -0.406: 0
: 2433:M 143 VAL HB :M 131 ILE 1HG2 : -0.405: 0
: 2433:M 128 THR 2HG2 :M 125 ASN HA : -0.589: 0
: 2433:M 125 ASN HA :M 128 THR CG2 : -0.417: 0
: 2433:M 37 LEU O :M 41 VAL 3HG2 : -0.588: 0
: 2433:M 123 LEU 3HD2 :M 19 LEU 3HD1 : -0.552: 0
: 2433:M 11 ARG O :M 15 ILE 2HG1 : -0.546: 0
: 2433:M 123 LEU O :M 127 VAL 3HG2 : -0.539: 0
: 2433:M 19 LEU HG :M 15 ILE O : -0.520: 0
: 2433:M 146 PHE CE2 :M 127 VAL 1HG1 : -0.454: 0
: 2433:M 123 LEU 3HD1 :M 41 VAL 2HG2 : -0.444: 0
: 2433:M 30 PRO O :M 34 LEU HG : -0.572: 0
: 2433:M 7 TYR CZ :M 6 LYS 1HD : -0.560: 0
: 2433:M 7 TYR CE2 :M 6 LYS 1HD : -0.410: 0
: 2433:M 45 ILE 1HG2 :M 57 VAL HB : -0.550: 0
: 2433:M 106 LEU O :M 110 VAL 3HG2 : -0.549: 0
: 2433:M 102 ILE O :M 106 LEU HG : -0.430: 0
: 2433:M 97 ARG O :M 101 ILE 2HG1 : -0.528: 0
: 2433:M 116 PRO 1HD :M 115 THR HB : -0.500: 0
: 2433:M 16 ILE 2HG1 :M 12 VAL O : -0.495: 0
: 2433:M 20 LEU HG :M 16 ILE O : -0.481: 0
: 2433:M 108 VAL O :M 112 GLU 1HG : -0.480: 0
: 2433:M 104 ASP O :M 108 VAL 3HG2 : -0.476: 0
: 2433:M 108 VAL O :M 111 LYS 1HG : -0.440: 0
: 2433:M 109 LEU C :M 109 LEU 2HD1 : -0.469: 0
: 2433:M 35 MET O :M 39 ASN 1HB : -0.465: 0
: 2433:M 94 SER O :M 98 VAL 3HG2 : -0.426: 0
: 2433:M 32 LEU 1HB :M 93 TYR CE1 : -0.424: 0
: 2433:M 3 ILE O :M 3 ILE 1HG1 : -0.414: 0
: 2433:M 126 ALA O :M 130 ILE 1HG1 : -0.408: 0
: 2433:M 114 VAL HA :M 118 LEU 3HD2 : -0.405: 0
: 2433:M 28 VAL 1HG2 :M 23 LEU 2HD2 : -0.403: 0
#sum2 ::19.73 clashscore : 19.73 clashscore B<40
#summary::2433 atoms:2433 atoms B<40:272728 potential dots:17050.0 A^2:48 bumps:48 bumps B<40:707.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2433:M 151 LYS 1HG :M 57 VAL 2HG2 : -0.766: 0
: 2433:M 151 LYS 2HD :M 58 ASP HA : -0.576: 0
: 2433:M 45 ILE 1HG2 :M 57 VAL HB : -0.534: 0
: 2433:M 155 LEU HG :M 151 LYS O : -0.441: 0
: 2433:M 112 GLU 1HB :M 114 VAL 3HG1 : -0.688: 0
: 2433:M 97 ARG O :M 101 ILE 2HG1 : -0.619: 0
: 2433:M 26 GLU 2HG :M 101 ILE 1HG1 : -0.545: 0
: 2433:M 120 LEU HG :M 116 PRO O : -0.610: 0
: 2433:M 116 PRO 1HD :M 115 THR 2HG2 : -0.580: 0
: 2433:M 120 LEU 2HB :M 60 PHE HD1 : -0.406: 0
: 2433:M 147 THR HB :M 61 THR HB : -0.595: 0
: 2433:M 24 VAL 2HG1 :M 21 ASP HA : -0.591: 0
: 2433:M 21 ASP O :M 25 LYS 2HG : -0.563: 0
: 2433:M 53 ARG 2HG :M 48 VAL HB : -0.563: 0
: 2433:M 48 VAL CG1 :M 52 LYS 2HG : -0.521: 0
: 2433:M 46 ALA HA :M 53 ARG NH1 : -0.487: 0
: 2433:M 37 LEU O :M 41 VAL 3HG2 : -0.554: 0
: 2433:M 134 VAL HB :M 135 PRO 1HD : -0.550: 0
: 2433:M 139 ARG CG :M 136 GLU HA : -0.433: 0
: 2433:M 139 ARG 2HG :M 135 PRO O : -0.425: 0
: 2433:M 136 GLU HA :M 139 ARG 1HD : -0.404: 0
: 2433:M 102 ILE O :M 106 LEU HG : -0.537: 0
: 2433:M 32 LEU CD1 :M 98 VAL 2HG2 : -0.459: 0
: 2433:M 94 SER O :M 98 VAL 3HG2 : -0.459: 0
: 2433:M 102 ILE 2HG1 :M 98 VAL O : -0.410: 0
: 2433:M 34 LEU 2HD2 :M 127 VAL 3HG1 : -0.532: 0
: 2433:M 123 LEU O :M 127 VAL 3HG2 : -0.511: 0
: 2433:M 30 PRO O :M 34 LEU HG : -0.460: 0
: 2433:M 30 PRO 1HD :M 29 THR HB : -0.446: 0
: 2433:M 125 ASN 1HB :M 121 MET O : -0.531: 0
: 2433:M 128 THR 2HG2 :M 125 ASN HA : -0.416: 0
: 2433:M 71 HIS H :M 70 GLU 2HG : -0.526: 0
: 2433:M 70 GLU 2HG :M 71 HIS N : -0.439: 0
: 2433:M 23 LEU 2HD2 :M 28 VAL 1HG2 : -0.522: 0
: 2433:M 11 ARG O :M 15 ILE 2HG1 : -0.508: 0
: 2433:M 19 LEU HG :M 15 ILE O : -0.480: 0
: 2433:M 90 VAL 3HG1 :M 89 ILE 2HG2 : -0.498: 0
: 2433:M 20 LEU HG :M 16 ILE O : -0.496: 0
: 2433:M 16 ILE 2HG1 :M 12 VAL O : -0.410: 0
: 2433:M 144 ASP O :M 148 LYS 1HB : -0.480: 0
: 2433:M 154 VAL 3HG2 :M 150 LEU O : -0.476: 0
: 2433:M 50 GLU H :M 50 GLU 1HG : -0.457: 0
: 2433:M 65 LYS O :M 69 LEU 3HD1 : -0.447: 0
: 2433:M 152 GLN HA :M 152 GLN OE1 : -0.437: 0
: 2433:M 22 VAL 3HG1 :M 104 ASP 2HB : -0.435: 0
: 2433:M 22 VAL 3HG2 :M 18 ASP O : -0.411: 0
: 2433:M 22 VAL CG1 :M 104 ASP 2HB : -0.407: 0
: 2433:M 6 LYS 1HB :M 6 LYS NZ : -0.434: 0
: 2433:M 6 LYS 1HB :M 5 SER O : -0.405: 0
: 2433:M 88 PRO 2HD :M 87 MET HA : -0.428: 0
: 2433:M 161 HIS 2HB :M 160 HIS O : -0.426: 0
: 2433:M 68 VAL 3HG2 :M 64 LEU O : -0.409: 0
#sum2 ::21.37 clashscore : 21.37 clashscore B<40
#summary::2433 atoms:2433 atoms B<40:272603 potential dots:17040.0 A^2:52 bumps:52 bumps B<40:690.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2433:M 26 GLU 1HB :M 28 VAL 3HG1 : -0.638: 0
: 2433:M 97 ARG O :M 101 ILE 2HG1 : -0.584: 0
: 2433:M 26 GLU 2HG :M 101 ILE 1HG1 : -0.506: 0
: 2433:M 123 LEU O :M 127 VAL 3HG2 : -0.618: 0
: 2433:M 131 ILE 2HG1 :M 127 VAL O : -0.514: 0
: 2433:M 123 LEU 3HD2 :M 19 LEU 3HD1 : -0.505: 0
: 2433:M 143 VAL HB :M 131 ILE 3HD1 : -0.464: 0
: 2433:M 19 LEU HG :M 15 ILE O : -0.436: 0
: 2433:M 37 LEU O :M 41 VAL 3HG2 : -0.602: 0
: 2433:M 45 ILE 2HG1 :M 41 VAL O : -0.436: 0
: 2433:M 109 LEU 2HD2 :M 114 VAL 1HG2 : -0.581: 0
: 2433:M 105 LEU O :M 109 LEU HG : -0.552: 0
: 2433:M 103 GLN HA :M 106 LEU 2HD1 : -0.501: 0
: 2433:M 109 LEU 2HD1 :M 106 LEU 3HD2 : -0.460: 0
: 2433:M 102 ILE 1HG1 :M 36 CYS HA : -0.561: 0
: 2433:M 50 GLU HA :M 53 ARG 2HG : -0.542: 0
: 2433:M 50 GLU HA :M 53 ARG CG : -0.506: 0
: 2433:M 116 PRO 1HD :M 115 THR HB : -0.531: 0
: 2433:M 134 VAL O :M 139 ARG 2HD : -0.525: 0
: 2433:M 138 LYS 2HG :M 134 VAL CG1 : -0.492: 0
: 2433:M 139 ARG 1HH2 :M 136 GLU CD : -0.476: 0
: 2433:M 20 LEU HG :M 16 ILE O : -0.510: 0
: 2433:M 8 SER O :M 12 VAL 3HG2 : -0.420: 0
: 2433:M 24 VAL 3HG2 :M 20 LEU O : -0.408: 0
: 2433:M 16 ILE 2HG1 :M 12 VAL O : -0.400: 0
: 2433:M 30 PRO O :M 34 LEU HG : -0.487: 0
: 2433:M 34 LEU 2HB :M 146 PHE HD1 : -0.425: 0
: 2433:M 30 PRO 1HD :M 29 THR HB : -0.402: 0
: 2433:M 10 GLU CD :M 10 GLU H : -0.465: 0
: 2433:M 107 ASP HA :M 110 VAL 2HG1 : -0.462: 0
: 2433:M 94 SER O :M 98 VAL 3HG2 : -0.450: 0
: 2433:M 111 LYS 2HB :M 108 VAL O : -0.406: 0
: 2433:M 112 GLU OE2 :M 111 LYS 1HG : -0.401: 0
: 2433:M 22 VAL 3HG2 :M 18 ASP O : -0.404: 0
: 2433:M 68 VAL 3HG2 :M 64 LEU O : -0.404: 0
#sum2 ::14.39 clashscore : 14.39 clashscore B<40
#summary::2433 atoms:2433 atoms B<40:272886 potential dots:17060.0 A^2:35 bumps:35 bumps B<40:754.2 score
Output from PDB validation software
Summary from PDB validation
May. 9, 22:49:26 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
-------------------------------------------------------------------------
B HA VAL 22 - B 1HE LYS 25 3 Dist = 1.25
A HH TYR 7 - B 1HB ASP 31 20 Dist = 1.28
A HB THR 61 - B HB THR 61 3 Dist = 1.35
A 2HG GLU 50 - A 1HH2 ARG 53 1 Dist = 1.42
A 2HB PRO 30 - B 1HG2 VAL 48 10 Dist = 1.46
A 2HG1 VAL 4 - A HD2 TYR 7 15 Dist = 1.47
A 1HB ASP 31 - B HH TYR 7 1 Dist = 1.54
A 2HZ LYS 65 - B OD2 ASP 58 17 Dist = 1.55
A HA VAL 28 - A 3HD2 LEU 32 8 Dist = 1.57
A HH TYR 7 - B 1HB ASP 31 18 Dist = 1.58
A HD1 HIS 72 - B OE2 GLU 50 9 Dist = 1.58
A 1HZ LYS 25 - B OD2 ASP 18 1 Dist = 1.58
A HA ALA 46 - A 1HH1 ARG 53 17 Dist = 1.58
A OE2 GLU 70 - A HD1 HIS 74 20 Dist = 1.58
A OD2 ASP 18 - B 3HZ LYS 25 4 Dist = 1.59
A 3HG2 THR 42 - B HG SER 67 2 Dist = 1.59
B 1HZ LYS 14 - B OD2 ASP 18 16 Dist = 1.59
A OD1 ASP 58 - B 3HZ LYS 65 16 Dist = 1.59
A 2HZ LYS 65 - B OD1 ASP 58 20 Dist = 1.59
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
------------------------------------------------------------------------
0.031 HIS B 76 2 CA - CB 1.561 1.530
-0.023 THR A 29 6 N - CA 1.435 1.458
0.023 HIS A 74 11 CA - CB 1.553 1.530
0.023 HIS B 72 13 CA - CB 1.553 1.530
0.023 HIS A 73 18 CA - CB 1.553 1.530
0.023 GLU A 50 19 N - CA 1.481 1.458
0.021 HIS A 71 19 N - CA 1.479 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
--------------------------------------------------------------------------------
-4.2 HIS A 75 1 N - CA - C 107.0 111.2
-3.5 HIS A 76 1 N - CA - C 107.7 111.2
-4.8 LYS A 6 2 N - CA - C 106.4 111.2
-3.5 HIS A 73 2 N - CA - C 107.7 111.2
3.8 HIS B 76 2 CA - CB - CG 117.6 113.8
-3.5 HIS B 72 3 N - CA - C 107.7 111.2
-4.0 HIS A 75 6 N - CA - C 107.2 111.2
-4.7 HIS B 71 12 N - CA - C 106.5 111.2
-3.8 HIS A 75 14 N - CA - C 107.4 111.2
-3.4 HIS B 76 15 N - CA - C 107.8 111.2
3.6 HIS A 73 18 C - N - CA 125.3 121.7
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 ASN 9 1HD2
1 A ASN 9 2HD2
1 A GLN 17 1HE2
1 A GLN 17 2HE2
1 A ASN 39 1HD2
1 A ASN 39 2HD2
1 A ASN 43 1HD2
1 A ASN 43 2HD2
1 A GLN 47 1HE2
1 A GLN 47 2HE2
1 A ASN 59 1HD2
1 A ASN 59 2HD2
1 A GLN 66 1HE2
1 A GLN 66 2HE2
1 B ASN 9 1HD2
1 B ASN 9 2HD2
1 B GLN 17 1HE2
1 B GLN 17 2HE2
1 B ASN 39 1HD2
1 B ASN 39 2HD2
1 B ASN 43 1HD2
1 B ASN 43 2HD2
1 B GLN 47 1HE2
1 B GLN 47 2HE2
1 B ASN 59 1HD2
1 B ASN 59 2HD2
1 B GLN 66 1HE2
1 B GLN 66 2HE2
2 A ASN 9 1HD2
2 A ASN 9 2HD2
2 A GLN 17 1HE2
2 A GLN 17 2HE2
2 A ASN 39 1HD2
2 A ASN 39 2HD2
2 A ASN 43 1HD2
2 A ASN 43 2HD2
2 A GLN 47 1HE2
2 A GLN 47 2HE2
2 A ASN 59 1HD2
2 A ASN 59 2HD2
2 A GLN 66 1HE2
2 A GLN 66 2HE2
2 B ASN 9 1HD2
2 B ASN 9 2HD2
2 B GLN 17 1HE2
2 B GLN 17 2HE2
2 B ASN 39 1HD2
2 B ASN 39 2HD2
2 B ASN 43 1HD2
2 B ASN 43 2HD2
2 B GLN 47 1HE2
2 B GLN 47 2HE2
2 B ASN 59 1HD2
2 B ASN 59 2HD2
2 B GLN 66 1HE2
2 B GLN 66 2HE2
3 A ASN 9 1HD2
3 A ASN 9 2HD2
3 A GLN 17 1HE2
3 A GLN 17 2HE2
3 A ASN 39 1HD2
3 A ASN 39 2HD2
3 A ASN 43 1HD2
3 A ASN 43 2HD2
3 A GLN 47 1HE2
3 A GLN 47 2HE2
3 A ASN 59 1HD2
3 A ASN 59 2HD2
3 A GLN 66 1HE2
3 A GLN 66 2HE2
3 B ASN 9 1HD2
3 B ASN 9 2HD2
3 B GLN 17 1HE2
3 B GLN 17 2HE2
3 B ASN 39 1HD2
3 B ASN 39 2HD2
3 B ASN 43 1HD2
3 B ASN 43 2HD2
3 B GLN 47 1HE2
3 B GLN 47 2HE2
3 B ASN 59 1HD2
3 B ASN 59 2HD2
3 B GLN 66 1HE2
3 B GLN 66 2HE2
4 A ASN 9 1HD2
4 A ASN 9 2HD2
4 A GLN 17 1HE2
4 A GLN 17 2HE2
4 A ASN 39 1HD2
4 A ASN 39 2HD2
4 A ASN 43 1HD2
4 A ASN 43 2HD2
4 A GLN 47 1HE2
4 A GLN 47 2HE2
4 A ASN 59 1HD2
4 A ASN 59 2HD2
4 A GLN 66 1HE2
4 A GLN 66 2HE2
4 B ASN 9 1HD2
4 B ASN 9 2HD2
4 B GLN 17 1HE2
4 B GLN 17 2HE2
4 B ASN 39 1HD2
4 B ASN 39 2HD2
4 B ASN 43 1HD2
4 B ASN 43 2HD2
4 B GLN 47 1HE2
4 B GLN 47 2HE2
4 B ASN 59 1HD2
4 B ASN 59 2HD2
4 B GLN 66 1HE2
4 B GLN 66 2HE2
5 A ASN 9 1HD2
5 A ASN 9 2HD2
5 A GLN 17 1HE2
5 A GLN 17 2HE2
5 A ASN 39 1HD2
5 A ASN 39 2HD2
5 A ASN 43 1HD2
5 A ASN 43 2HD2
5 A GLN 47 1HE2
5 A GLN 47 2HE2
5 A ASN 59 1HD2
5 A ASN 59 2HD2
5 A GLN 66 1HE2
5 A GLN 66 2HE2
5 B ASN 9 1HD2
5 B ASN 9 2HD2
5 B GLN 17 1HE2
5 B GLN 17 2HE2
5 B ASN 39 1HD2
5 B ASN 39 2HD2
5 B ASN 43 1HD2
5 B ASN 43 2HD2
5 B GLN 47 1HE2
5 B GLN 47 2HE2
5 B ASN 59 1HD2
5 B ASN 59 2HD2
5 B GLN 66 1HE2
5 B GLN 66 2HE2
6 A ASN 9 1HD2
6 A ASN 9 2HD2
6 A GLN 17 1HE2
6 A GLN 17 2HE2
6 A ASN 39 1HD2
6 A ASN 39 2HD2
6 A ASN 43 1HD2
6 A ASN 43 2HD2
6 A GLN 47 1HE2
6 A GLN 47 2HE2
6 A ASN 59 1HD2
6 A ASN 59 2HD2
6 A GLN 66 1HE2
6 A GLN 66 2HE2
6 B ASN 9 1HD2
6 B ASN 9 2HD2
6 B GLN 17 1HE2
6 B GLN 17 2HE2
6 B ASN 39 1HD2
6 B ASN 39 2HD2
6 B ASN 43 1HD2
6 B ASN 43 2HD2
6 B GLN 47 1HE2
6 B GLN 47 2HE2
6 B ASN 59 1HD2
6 B ASN 59 2HD2
6 B GLN 66 1HE2
6 B GLN 66 2HE2
7 A ASN 9 1HD2
7 A ASN 9 2HD2
7 A GLN 17 1HE2
7 A GLN 17 2HE2
7 A ASN 39 1HD2
7 A ASN 39 2HD2
7 A ASN 43 1HD2
7 A ASN 43 2HD2
7 A GLN 47 1HE2
7 A GLN 47 2HE2
7 A ASN 59 1HD2
7 A ASN 59 2HD2
7 A GLN 66 1HE2
7 A GLN 66 2HE2
7 B ASN 9 1HD2
7 B ASN 9 2HD2
7 B GLN 17 1HE2
7 B GLN 17 2HE2
7 B ASN 39 1HD2
7 B ASN 39 2HD2
7 B ASN 43 1HD2
7 B ASN 43 2HD2
7 B GLN 47 1HE2
7 B GLN 47 2HE2
7 B ASN 59 1HD2
7 B ASN 59 2HD2
7 B GLN 66 1HE2
7 B GLN 66 2HE2
8 A ASN 9 1HD2
8 A ASN 9 2HD2
8 A GLN 17 1HE2
8 A GLN 17 2HE2
8 A ASN 39 1HD2
8 A ASN 39 2HD2
8 A ASN 43 1HD2
8 A ASN 43 2HD2
8 A GLN 47 1HE2
8 A GLN 47 2HE2
8 A ASN 59 1HD2
8 A ASN 59 2HD2
8 A GLN 66 1HE2
8 A GLN 66 2HE2
8 B ASN 9 1HD2
8 B ASN 9 2HD2
8 B GLN 17 1HE2
8 B GLN 17 2HE2
8 B ASN 39 1HD2
8 B ASN 39 2HD2
8 B ASN 43 1HD2
8 B ASN 43 2HD2
8 B GLN 47 1HE2
8 B GLN 47 2HE2
8 B ASN 59 1HD2
8 B ASN 59 2HD2
8 B GLN 66 1HE2
8 B GLN 66 2HE2
9 A ASN 9 1HD2
9 A ASN 9 2HD2
9 A GLN 17 1HE2
9 A GLN 17 2HE2
9 A ASN 39 1HD2
9 A ASN 39 2HD2
9 A ASN 43 1HD2
9 A ASN 43 2HD2
9 A GLN 47 1HE2
9 A GLN 47 2HE2
9 A ASN 59 1HD2
9 A ASN 59 2HD2
9 A GLN 66 1HE2
9 A GLN 66 2HE2
9 B ASN 9 1HD2
9 B ASN 9 2HD2
9 B GLN 17 1HE2
9 B GLN 17 2HE2
9 B ASN 39 1HD2
9 B ASN 39 2HD2
9 B ASN 43 1HD2
9 B ASN 43 2HD2
9 B GLN 47 1HE2
9 B GLN 47 2HE2
9 B ASN 59 1HD2
9 B ASN 59 2HD2
9 B GLN 66 1HE2
9 B GLN 66 2HE2
10 A ASN 9 1HD2
10 A ASN 9 2HD2
10 A GLN 17 1HE2
10 A GLN 17 2HE2
10 A ASN 39 1HD2
10 A ASN 39 2HD2
10 A ASN 43 1HD2
10 A ASN 43 2HD2
10 A GLN 47 1HE2
10 A GLN 47 2HE2
10 A ASN 59 1HD2
10 A ASN 59 2HD2
10 A GLN 66 1HE2
10 A GLN 66 2HE2
10 B ASN 9 1HD2
10 B ASN 9 2HD2
10 B GLN 17 1HE2
10 B GLN 17 2HE2
10 B ASN 39 1HD2
10 B ASN 39 2HD2
10 B ASN 43 1HD2
10 B ASN 43 2HD2
10 B GLN 47 1HE2
10 B GLN 47 2HE2
10 B ASN 59 1HD2
10 B ASN 59 2HD2
10 B GLN 66 1HE2
10 B GLN 66 2HE2
11 A ASN 9 1HD2
11 A ASN 9 2HD2
11 A GLN 17 1HE2
11 A GLN 17 2HE2
11 A ASN 39 1HD2
11 A ASN 39 2HD2
11 A ASN 43 1HD2
11 A ASN 43 2HD2
11 A GLN 47 1HE2
11 A GLN 47 2HE2
11 A ASN 59 1HD2
11 A ASN 59 2HD2
11 A GLN 66 1HE2
11 A GLN 66 2HE2
11 B ASN 9 1HD2
11 B ASN 9 2HD2
11 B GLN 17 1HE2
11 B GLN 17 2HE2
11 B ASN 39 1HD2
11 B ASN 39 2HD2
11 B ASN 43 1HD2
11 B ASN 43 2HD2
11 B GLN 47 1HE2
11 B GLN 47 2HE2
11 B ASN 59 1HD2
11 B ASN 59 2HD2
11 B GLN 66 1HE2
11 B GLN 66 2HE2
12 A ASN 9 1HD2
12 A ASN 9 2HD2
12 A GLN 17 1HE2
12 A GLN 17 2HE2
12 A ASN 39 1HD2
12 A ASN 39 2HD2
12 A ASN 43 1HD2
12 A ASN 43 2HD2
12 A GLN 47 1HE2
12 A GLN 47 2HE2
12 A ASN 59 1HD2
12 A ASN 59 2HD2
12 A GLN 66 1HE2
12 A GLN 66 2HE2
12 B ASN 9 1HD2
12 B ASN 9 2HD2
12 B GLN 17 1HE2
12 B GLN 17 2HE2
12 B ASN 39 1HD2
12 B ASN 39 2HD2
12 B ASN 43 1HD2
12 B ASN 43 2HD2
12 B GLN 47 1HE2
12 B GLN 47 2HE2
12 B ASN 59 1HD2
12 B ASN 59 2HD2
12 B GLN 66 1HE2
12 B GLN 66 2HE2
13 A ASN 9 1HD2
13 A ASN 9 2HD2
13 A GLN 17 1HE2
13 A GLN 17 2HE2
13 A ASN 39 1HD2
13 A ASN 39 2HD2
13 A ASN 43 1HD2
13 A ASN 43 2HD2
13 A GLN 47 1HE2
13 A GLN 47 2HE2
13 A ASN 59 1HD2
13 A ASN 59 2HD2
13 A GLN 66 1HE2
13 A GLN 66 2HE2
13 B ASN 9 1HD2
13 B ASN 9 2HD2
13 B GLN 17 1HE2
13 B GLN 17 2HE2
13 B ASN 39 1HD2
13 B ASN 39 2HD2
13 B ASN 43 1HD2
13 B ASN 43 2HD2
13 B GLN 47 1HE2
13 B GLN 47 2HE2
13 B ASN 59 1HD2
13 B ASN 59 2HD2
13 B GLN 66 1HE2
13 B GLN 66 2HE2
14 A ASN 9 1HD2
14 A ASN 9 2HD2
14 A GLN 17 1HE2
14 A GLN 17 2HE2
14 A ASN 39 1HD2
14 A ASN 39 2HD2
14 A ASN 43 1HD2
14 A ASN 43 2HD2
14 A GLN 47 1HE2
14 A GLN 47 2HE2
14 A ASN 59 1HD2
14 A ASN 59 2HD2
14 A GLN 66 1HE2
14 A GLN 66 2HE2
14 B ASN 9 1HD2
14 B ASN 9 2HD2
14 B GLN 17 1HE2
14 B GLN 17 2HE2
14 B ASN 39 1HD2
14 B ASN 39 2HD2
14 B ASN 43 1HD2
14 B ASN 43 2HD2
14 B GLN 47 1HE2
14 B GLN 47 2HE2
14 B ASN 59 1HD2
14 B ASN 59 2HD2
14 B GLN 66 1HE2
14 B GLN 66 2HE2
15 A ASN 9 1HD2
15 A ASN 9 2HD2
15 A GLN 17 1HE2
15 A GLN 17 2HE2
15 A ASN 39 1HD2
15 A ASN 39 2HD2
15 A ASN 43 1HD2
15 A ASN 43 2HD2
15 A GLN 47 1HE2
15 A GLN 47 2HE2
15 A ASN 59 1HD2
15 A ASN 59 2HD2
15 A GLN 66 1HE2
15 A GLN 66 2HE2
15 B ASN 9 1HD2
15 B ASN 9 2HD2
15 B GLN 17 1HE2
15 B GLN 17 2HE2
15 B ASN 39 1HD2
15 B ASN 39 2HD2
15 B ASN 43 1HD2
15 B ASN 43 2HD2
15 B GLN 47 1HE2
15 B GLN 47 2HE2
15 B ASN 59 1HD2
15 B ASN 59 2HD2
15 B GLN 66 1HE2
15 B GLN 66 2HE2
16 A ASN 9 1HD2
16 A ASN 9 2HD2
16 A GLN 17 1HE2
16 A GLN 17 2HE2
16 A ASN 39 1HD2
16 A ASN 39 2HD2
16 A ASN 43 1HD2
16 A ASN 43 2HD2
16 A GLN 47 1HE2
16 A GLN 47 2HE2
16 A ASN 59 1HD2
16 A ASN 59 2HD2
16 A GLN 66 1HE2
16 A GLN 66 2HE2
16 B ASN 9 1HD2
16 B ASN 9 2HD2
16 B GLN 17 1HE2
16 B GLN 17 2HE2
16 B ASN 39 1HD2
16 B ASN 39 2HD2
16 B ASN 43 1HD2
16 B ASN 43 2HD2
16 B GLN 47 1HE2
16 B GLN 47 2HE2
16 B ASN 59 1HD2
16 B ASN 59 2HD2
16 B GLN 66 1HE2
16 B GLN 66 2HE2
17 A ASN 9 1HD2
17 A ASN 9 2HD2
17 A GLN 17 1HE2
17 A GLN 17 2HE2
17 A ASN 39 1HD2
17 A ASN 39 2HD2
17 A ASN 43 1HD2
17 A ASN 43 2HD2
17 A GLN 47 1HE2
17 A GLN 47 2HE2
17 A ASN 59 1HD2
17 A ASN 59 2HD2
17 A GLN 66 1HE2
17 A GLN 66 2HE2
17 B ASN 9 1HD2
17 B ASN 9 2HD2
17 B GLN 17 1HE2
17 B GLN 17 2HE2
17 B ASN 39 1HD2
17 B ASN 39 2HD2
17 B ASN 43 1HD2
17 B ASN 43 2HD2
17 B GLN 47 1HE2
17 B GLN 47 2HE2
17 B ASN 59 1HD2
17 B ASN 59 2HD2
17 B GLN 66 1HE2
17 B GLN 66 2HE2
18 A ASN 9 1HD2
18 A ASN 9 2HD2
18 A GLN 17 1HE2
18 A GLN 17 2HE2
18 A ASN 39 1HD2
18 A ASN 39 2HD2
18 A ASN 43 1HD2
18 A ASN 43 2HD2
18 A GLN 47 1HE2
18 A GLN 47 2HE2
18 A ASN 59 1HD2
18 A ASN 59 2HD2
18 A GLN 66 1HE2
18 A GLN 66 2HE2
18 B ASN 9 1HD2
18 B ASN 9 2HD2
18 B GLN 17 1HE2
18 B GLN 17 2HE2
18 B ASN 39 1HD2
18 B ASN 39 2HD2
18 B ASN 43 1HD2
18 B ASN 43 2HD2
18 B GLN 47 1HE2
18 B GLN 47 2HE2
18 B ASN 59 1HD2
18 B ASN 59 2HD2
18 B GLN 66 1HE2
18 B GLN 66 2HE2
19 A ASN 9 1HD2
19 A ASN 9 2HD2
19 A GLN 17 1HE2
19 A GLN 17 2HE2
19 A ASN 39 1HD2
19 A ASN 39 2HD2
19 A ASN 43 1HD2
19 A ASN 43 2HD2
19 A GLN 47 1HE2
19 A GLN 47 2HE2
19 A ASN 59 1HD2
19 A ASN 59 2HD2
19 A GLN 66 1HE2
19 A GLN 66 2HE2
19 B ASN 9 1HD2
19 B ASN 9 2HD2
19 B GLN 17 1HE2
19 B GLN 17 2HE2
19 B ASN 39 1HD2
19 B ASN 39 2HD2
19 B ASN 43 1HD2
19 B ASN 43 2HD2
19 B GLN 47 1HE2
19 B GLN 47 2HE2
19 B ASN 59 1HD2
19 B ASN 59 2HD2
19 B GLN 66 1HE2
19 B GLN 66 2HE2
20 A ASN 9 1HD2
20 A ASN 9 2HD2
20 A GLN 17 1HE2
20 A GLN 17 2HE2
20 A ASN 39 1HD2
20 A ASN 39 2HD2
20 A ASN 43 1HD2
20 A ASN 43 2HD2
20 A GLN 47 1HE2
20 A GLN 47 2HE2
20 A ASN 59 1HD2
20 A ASN 59 2HD2
20 A GLN 66 1HE2
20 A GLN 66 2HE2
20 B ASN 9 1HD2
20 B ASN 9 2HD2
20 B GLN 17 1HE2
20 B GLN 17 2HE2
20 B ASN 39 1HD2
20 B ASN 39 2HD2
20 B ASN 43 1HD2
20 B ASN 43 2HD2
20 B GLN 47 1HE2
20 B GLN 47 2HE2
20 B ASN 59 1HD2
20 B ASN 59 2HD2
20 B GLN 66 1HE2
20 B GLN 66 2HE2
OTHER IMPORTANT ISSUES
==> The following residues have missing atoms:
RES MOD#C SEQ ATOMS
GLU( 1 A 10) HE2
GLU( 1 A 13) HE2
ASP( 1 A 18) HD2
ASP( 1 A 21) HD2
GLU( 1 A 26) HE2
GLU( 1 A 27) HE2
ASP( 1 A 31) HD2
GLU( 1 A 50) HE2
ASP( 1 A 58) HD2
GLU( 1 A 70) HE2
GLU( 1 B 10) HE2
GLU( 1 B 13) HE2
ASP( 1 B 18) HD2
ASP( 1 B 21) HD2
GLU( 1 B 26) HE2
GLU( 1 B 27) HE2
ASP( 1 B 31) HD2
GLU( 1 B 50) HE2
ASP( 1 B 58) HD2
GLU( 1 B 70) HE2
GLU( 2 A 10) HE2
GLU( 2 A 13) HE2
ASP( 2 A 18) HD2
ASP( 2 A 21) HD2
GLU( 2 A 26) HE2
GLU( 2 A 27) HE2
ASP( 2 A 31) HD2
GLU( 2 A 50) HE2
ASP( 2 A 58) HD2
GLU( 2 A 70) HE2
GLU( 2 B 10) HE2
GLU( 2 B 13) HE2
ASP( 2 B 18) HD2
ASP( 2 B 21) HD2
GLU( 2 B 26) HE2
GLU( 2 B 27) HE2
ASP( 2 B 31) HD2
GLU( 2 B 50) HE2
ASP( 2 B 58) HD2
GLU( 2 B 70) HE2
GLU( 3 A 10) HE2
GLU( 3 A 13) HE2
ASP( 3 A 18) HD2
ASP( 3 A 21) HD2
GLU( 3 A 26) HE2
GLU( 3 A 27) HE2
ASP( 3 A 31) HD2
GLU( 3 A 50) HE2
ASP( 3 A 58) HD2
GLU( 3 A 70) HE2
GLU( 3 B 10) HE2
GLU( 3 B 13) HE2
ASP( 3 B 18) HD2
ASP( 3 B 21) HD2
GLU( 3 B 26) HE2
GLU( 3 B 27) HE2
ASP( 3 B 31) HD2
GLU( 3 B 50) HE2
ASP( 3 B 58) HD2
GLU( 3 B 70) HE2
GLU( 4 A 10) HE2
GLU( 4 A 13) HE2
ASP( 4 A 18) HD2
ASP( 4 A 21) HD2
GLU( 4 A 26) HE2
GLU( 4 A 27) HE2
ASP( 4 A 31) HD2
GLU( 4 A 50) HE2
ASP( 4 A 58) HD2
GLU( 4 A 70) HE2
GLU( 4 B 10) HE2
GLU( 4 B 13) HE2
ASP( 4 B 18) HD2
ASP( 4 B 21) HD2
GLU( 4 B 26) HE2
GLU( 4 B 27) HE2
ASP( 4 B 31) HD2
GLU( 4 B 50) HE2
ASP( 4 B 58) HD2
GLU( 4 B 70) HE2
GLU( 5 A 10) HE2
GLU( 5 A 13) HE2
ASP( 5 A 18) HD2
ASP( 5 A 21) HD2
GLU( 5 A 26) HE2
GLU( 5 A 27) HE2
ASP( 5 A 31) HD2
GLU( 5 A 50) HE2
ASP( 5 A 58) HD2
GLU( 5 A 70) HE2
GLU( 5 B 10) HE2
GLU( 5 B 13) HE2
ASP( 5 B 18) HD2
ASP( 5 B 21) HD2
GLU( 5 B 26) HE2
GLU( 5 B 27) HE2
ASP( 5 B 31) HD2
GLU( 5 B 50) HE2
ASP( 5 B 58) HD2
GLU( 5 B 70) HE2
GLU( 6 A 10) HE2
GLU( 6 A 13) HE2
ASP( 6 A 18) HD2
ASP( 6 A 21) HD2
GLU( 6 A 26) HE2
GLU( 6 A 27) HE2
ASP( 6 A 31) HD2
GLU( 6 A 50) HE2
ASP( 6 A 58) HD2
GLU( 6 A 70) HE2
GLU( 6 B 10) HE2
GLU( 6 B 13) HE2
ASP( 6 B 18) HD2
ASP( 6 B 21) HD2
GLU( 6 B 26) HE2
GLU( 6 B 27) HE2
ASP( 6 B 31) HD2
GLU( 6 B 50) HE2
ASP( 6 B 58) HD2
GLU( 6 B 70) HE2
GLU( 7 A 10) HE2
GLU( 7 A 13) HE2
ASP( 7 A 18) HD2
ASP( 7 A 21) HD2
GLU( 7 A 26) HE2
GLU( 7 A 27) HE2
ASP( 7 A 31) HD2
GLU( 7 A 50) HE2
ASP( 7 A 58) HD2
GLU( 7 A 70) HE2
GLU( 7 B 10) HE2
GLU( 7 B 13) HE2
ASP( 7 B 18) HD2
ASP( 7 B 21) HD2
GLU( 7 B 26) HE2
GLU( 7 B 27) HE2
ASP( 7 B 31) HD2
GLU( 7 B 50) HE2
ASP( 7 B 58) HD2
GLU( 7 B 70) HE2
GLU( 8 A 10) HE2
GLU( 8 A 13) HE2
ASP( 8 A 18) HD2
ASP( 8 A 21) HD2
GLU( 8 A 26) HE2
GLU( 8 A 27) HE2
ASP( 8 A 31) HD2
GLU( 8 A 50) HE2
ASP( 8 A 58) HD2
GLU( 8 A 70) HE2
GLU( 8 B 10) HE2
GLU( 8 B 13) HE2
ASP( 8 B 18) HD2
ASP( 8 B 21) HD2
GLU( 8 B 26) HE2
GLU( 8 B 27) HE2
ASP( 8 B 31) HD2
GLU( 8 B 50) HE2
ASP( 8 B 58) HD2
GLU( 8 B 70) HE2
GLU( 9 A 10) HE2
GLU( 9 A 13) HE2
ASP( 9 A 18) HD2
ASP( 9 A 21) HD2
GLU( 9 A 26) HE2
GLU( 9 A 27) HE2
ASP( 9 A 31) HD2
GLU( 9 A 50) HE2
ASP( 9 A 58) HD2
GLU( 9 A 70) HE2
GLU( 9 B 10) HE2
GLU( 9 B 13) HE2
ASP( 9 B 18) HD2
ASP( 9 B 21) HD2
GLU( 9 B 26) HE2
GLU( 9 B 27) HE2
ASP( 9 B 31) HD2
GLU( 9 B 50) HE2
ASP( 9 B 58) HD2
GLU( 9 B 70) HE2
GLU( 10 A 10) HE2
GLU( 10 A 13) HE2
ASP( 10 A 18) HD2
ASP( 10 A 21) HD2
GLU( 10 A 26) HE2
GLU( 10 A 27) HE2
ASP( 10 A 31) HD2
GLU( 10 A 50) HE2
ASP( 10 A 58) HD2
GLU( 10 A 70) HE2
GLU( 10 B 10) HE2
GLU( 10 B 13) HE2
ASP( 10 B 18) HD2
ASP( 10 B 21) HD2
GLU( 10 B 26) HE2
GLU( 10 B 27) HE2
ASP( 10 B 31) HD2
GLU( 10 B 50) HE2
ASP( 10 B 58) HD2
GLU( 10 B 70) HE2
GLU( 11 A 10) HE2
GLU( 11 A 13) HE2
ASP( 11 A 18) HD2
ASP( 11 A 21) HD2
GLU( 11 A 26) HE2
GLU( 11 A 27) HE2
ASP( 11 A 31) HD2
GLU( 11 A 50) HE2
ASP( 11 A 58) HD2
GLU( 11 A 70) HE2
GLU( 11 B 10) HE2
GLU( 11 B 13) HE2
ASP( 11 B 18) HD2
ASP( 11 B 21) HD2
GLU( 11 B 26) HE2
GLU( 11 B 27) HE2
ASP( 11 B 31) HD2
GLU( 11 B 50) HE2
ASP( 11 B 58) HD2
GLU( 11 B 70) HE2
GLU( 12 A 10) HE2
GLU( 12 A 13) HE2
ASP( 12 A 18) HD2
ASP( 12 A 21) HD2
GLU( 12 A 26) HE2
GLU( 12 A 27) HE2
ASP( 12 A 31) HD2
GLU( 12 A 50) HE2
ASP( 12 A 58) HD2
GLU( 12 A 70) HE2
GLU( 12 B 10) HE2
GLU( 12 B 13) HE2
ASP( 12 B 18) HD2
ASP( 12 B 21) HD2
GLU( 12 B 26) HE2
GLU( 12 B 27) HE2
ASP( 12 B 31) HD2
GLU( 12 B 50) HE2
ASP( 12 B 58) HD2
GLU( 12 B 70) HE2
GLU( 13 A 10) HE2
GLU( 13 A 13) HE2
ASP( 13 A 18) HD2
ASP( 13 A 21) HD2
GLU( 13 A 26) HE2
GLU( 13 A 27) HE2
ASP( 13 A 31) HD2
GLU( 13 A 50) HE2
ASP( 13 A 58) HD2
GLU( 13 A 70) HE2
GLU( 13 B 10) HE2
GLU( 13 B 13) HE2
ASP( 13 B 18) HD2
ASP( 13 B 21) HD2
GLU( 13 B 26) HE2
GLU( 13 B 27) HE2
ASP( 13 B 31) HD2
GLU( 13 B 50) HE2
ASP( 13 B 58) HD2
GLU( 13 B 70) HE2
GLU( 14 A 10) HE2
GLU( 14 A 13) HE2
ASP( 14 A 18) HD2
ASP( 14 A 21) HD2
GLU( 14 A 26) HE2
GLU( 14 A 27) HE2
ASP( 14 A 31) HD2
GLU( 14 A 50) HE2
ASP( 14 A 58) HD2
GLU( 14 A 70) HE2
GLU( 14 B 10) HE2
GLU( 14 B 13) HE2
ASP( 14 B 18) HD2
ASP( 14 B 21) HD2
GLU( 14 B 26) HE2
GLU( 14 B 27) HE2
ASP( 14 B 31) HD2
GLU( 14 B 50) HE2
ASP( 14 B 58) HD2
GLU( 14 B 70) HE2
GLU( 15 A 10) HE2
GLU( 15 A 13) HE2
ASP( 15 A 18) HD2
ASP( 15 A 21) HD2
GLU( 15 A 26) HE2
GLU( 15 A 27) HE2
ASP( 15 A 31) HD2
GLU( 15 A 50) HE2
ASP( 15 A 58) HD2
GLU( 15 A 70) HE2
GLU( 15 B 10) HE2
GLU( 15 B 13) HE2
ASP( 15 B 18) HD2
ASP( 15 B 21) HD2
GLU( 15 B 26) HE2
GLU( 15 B 27) HE2
ASP( 15 B 31) HD2
GLU( 15 B 50) HE2
ASP( 15 B 58) HD2
GLU( 15 B 70) HE2
GLU( 16 A 10) HE2
GLU( 16 A 13) HE2
ASP( 16 A 18) HD2
ASP( 16 A 21) HD2
GLU( 16 A 26) HE2
GLU( 16 A 27) HE2
ASP( 16 A 31) HD2
GLU( 16 A 50) HE2
ASP( 16 A 58) HD2
GLU( 16 A 70) HE2
GLU( 16 B 10) HE2
GLU( 16 B 13) HE2
ASP( 16 B 18) HD2
ASP( 16 B 21) HD2
GLU( 16 B 26) HE2
GLU( 16 B 27) HE2
ASP( 16 B 31) HD2
GLU( 16 B 50) HE2
ASP( 16 B 58) HD2
GLU( 16 B 70) HE2
GLU( 17 A 10) HE2
GLU( 17 A 13) HE2
ASP( 17 A 18) HD2
ASP( 17 A 21) HD2
GLU( 17 A 26) HE2
GLU( 17 A 27) HE2
ASP( 17 A 31) HD2
GLU( 17 A 50) HE2
ASP( 17 A 58) HD2
GLU( 17 A 70) HE2
GLU( 17 B 10) HE2
GLU( 17 B 13) HE2
ASP( 17 B 18) HD2
ASP( 17 B 21) HD2
GLU( 17 B 26) HE2
GLU( 17 B 27) HE2
ASP( 17 B 31) HD2
GLU( 17 B 50) HE2
ASP( 17 B 58) HD2
GLU( 17 B 70) HE2
GLU( 18 A 10) HE2
GLU( 18 A 13) HE2
ASP( 18 A 18) HD2
ASP( 18 A 21) HD2
GLU( 18 A 26) HE2
GLU( 18 A 27) HE2
ASP( 18 A 31) HD2
GLU( 18 A 50) HE2
ASP( 18 A 58) HD2
GLU( 18 A 70) HE2
GLU( 18 B 10) HE2
GLU( 18 B 13) HE2
ASP( 18 B 18) HD2
ASP( 18 B 21) HD2
GLU( 18 B 26) HE2
GLU( 18 B 27) HE2
ASP( 18 B 31) HD2
GLU( 18 B 50) HE2
ASP( 18 B 58) HD2
GLU( 18 B 70) HE2
GLU( 19 A 10) HE2
GLU( 19 A 13) HE2
ASP( 19 A 18) HD2
ASP( 19 A 21) HD2
GLU( 19 A 26) HE2
GLU( 19 A 27) HE2
ASP( 19 A 31) HD2
GLU( 19 A 50) HE2
ASP( 19 A 58) HD2
GLU( 19 A 70) HE2
GLU( 19 B 10) HE2
GLU( 19 B 13) HE2
ASP( 19 B 18) HD2
ASP( 19 B 21) HD2
GLU( 19 B 26) HE2
GLU( 19 B 27) HE2
ASP( 19 B 31) HD2
GLU( 19 B 50) HE2
ASP( 19 B 58) HD2
GLU( 19 B 70) HE2
GLU( 20 A 10) HE2
GLU( 20 A 13) HE2
ASP( 20 A 18) HD2
ASP( 20 A 21) HD2
GLU( 20 A 26) HE2
GLU( 20 A 27) HE2
ASP( 20 A 31) HD2
GLU( 20 A 50) HE2
ASP( 20 A 58) HD2
GLU( 20 A 70) HE2
GLU( 20 B 10) HE2
GLU( 20 B 13) HE2
ASP( 20 B 18) HD2
ASP( 20 B 21) HD2
GLU( 20 B 26) HE2
GLU( 20 B 27) HE2
ASP( 20 B 31) HD2
GLU( 20 B 50) HE2
ASP( 20 B 58) HD2
GLU( 20 B 70) HE2
==> The following residues have extra atoms:
RES MOD#C SEQ ATOMS
HIS( 1 A 76) O2
HIS( 1 B 76) O2
HIS( 2 A 76) O2
HIS( 2 B 76) O2
HIS( 3 A 76) O2
HIS( 3 B 76) O2
HIS( 4 A 76) O2
HIS( 4 B 76) O2
HIS( 5 A 76) O2
HIS( 5 B 76) O2
HIS( 6 A 76) O2
HIS( 6 B 76) O2
HIS( 7 A 76) O2
HIS( 7 B 76) O2
HIS( 8 A 76) O2
HIS( 8 B 76) O2
HIS( 9 A 76) O2
HIS( 9 B 76) O2
HIS( 10 A 76) O2
HIS( 10 B 76) O2
HIS( 11 A 76) O2
HIS( 11 B 76) O2
HIS( 12 A 76) O2
HIS( 12 B 76) O2
HIS( 13 A 76) O2
HIS( 13 B 76) O2
HIS( 14 A 76) O2
HIS( 14 B 76) O2
HIS( 15 A 76) O2
HIS( 15 B 76) O2
HIS( 16 A 76) O2
HIS( 16 B 76) O2
HIS( 17 A 76) O2
HIS( 17 B 76) O2
HIS( 18 A 76) O2
HIS( 18 B 76) O2
HIS( 19 A 76) O2
HIS( 19 B 76) O2
HIS( 20 A 76) O2
HIS( 20 B 76) O2