/
vdw.dat
1137 lines (995 loc) · 9.92 KB
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vdw.dat
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>ALA
N 1.824
H 0.6
HN 0.6
CA 1.908
HA 1.387
CB 1.908
HB1 1.487
1HB 1.487
HB2 1.487
2HB 1.487
HB3 1.487
3HB 1.487
C 1.908
O 1.6612
>ARG
N 1.824
H 0.6
HN 0.6
CA 1.908
HA 1.387
CB 1.908
HB2 1.487
2HB 1.487
1HB 1.487
HB3 1.487
HB1 1.487
HB3 1.487
HB2 1.487
2HB 1.487
HB1 1.487
CG 1.908
HG2 1.487
2HG 1.487
HG3 1.487
HG1 1.487
1HG 1.487
HG3 1.487
HG2 1.487
2HG 1.487
HG1 1.487
CD 1.908
HD2 1.387
1HD 1.387
2HD 1.387
HD3 1.387
HD1 1.387
HD3 1.387
HD2 1.387
2HD 1.387
HD1 1.387
NE 1.75
HE 0.6
CZ 1.908
NH1 1.75
HH11 0.6
1HH1 0.6
HH12 0.6
2HH1 0.6
NH2 1.75
HH21 0.6
2HH2 0.6
HH22 0.6
1HH2 0.6
HH22 0.6
2HH2 0.6
1HH2 0.6
HH21 0.6
C 1.908
O 1.6612
>ASH
N 1.824
H 0.6
CA 1.908
HA 1.387
CB 1.908
HB2 1.487
HB3 1.487
CG 1.908
OD1 1.6612
OD2 1.721
HD2 0.0001
C 1.908
O 1.6612
>ASN
N 1.824
H 0.6
HN 0.6
CA 1.908
HA 1.387
CB 1.908
HB2 1.487
2HB 1.487
1HB 1.487
HB3 1.487
HB1 1.487
HB3 1.487
HB2 1.487
2HB 1.487
HB1 1.487
CG 1.908
OD1 1.6612
ND2 1.824
HD21 0.6
1HD2 0.6
HD22 0.6
2HD2 0.6
C 1.908
O 1.6612
>ASP
N 1.824
H 0.6
HN 0.6
CA 1.908
HA 1.387
CB 1.908
HB2 1.487
2HB 1.487
1HB 1.487
HB3 1.487
HB1 1.487
HB3 1.487
HB2 1.487
2HB 1.487
HB1 1.487
CG 1.908
OD1 1.6612
OD2 1.6612
C 1.908
O 1.6612
>CYM
N 1.824
HN 0.6
CA 1.908
HA 1.387
CB 1.908
HB3 1.387
HB2 1.387
SG 2
C 1.908
O 1.6612
>CYS
N 1.824
H 0.6
HN 0.6
CA 1.908
HA 1.387
CB 1.908
HB2 1.387
2HB 1.387
1HB 1.387
HB3 1.387
HB1 1.387
HB3 1.387
HB2 1.387
2HB 1.387
HB1 1.387
SG 2
HG 0.6
C 1.908
O 1.6612
>CYX
N 1.824
H 0.6
CA 1.908
HA 1.387
CB 1.908
HB2 1.387
HB3 1.387
SG 2
C 1.908
O 1.6612
>GLH
N 1.824
H 0.6
CA 1.908
HA 1.387
CB 1.908
HB2 1.487
HB3 1.487
CG 1.908
HG2 1.487
HG3 1.487
CD 1.908
OE1 1.6612
OE2 1.721
HE2 0.0001
C 1.908
O 1.6612
>GLN
N 1.824
H 0.6
HN 0.6
CA 1.908
HA 1.387
CB 1.908
HB2 1.487
2HB 1.487
1HB 1.487
HB3 1.487
HB1 1.487
HB3 1.487
HB2 1.487
2HB 1.487
HB1 1.487
CG 1.908
HG2 1.487
2HG 1.487
HG3 1.487
HG1 1.487
1HG 1.487
HG3 1.487
HG2 1.487
2HG 1.487
HG1 1.487
CD 1.908
OE1 1.6612
NE2 1.824
HE21 0.6
1HE2 0.6
HE22 0.6
2HE2 0.6
C 1.908
O 1.6612
>GLU
N 1.824
H 0.6
HN 0.6
CA 1.908
HA 1.387
CB 1.908
HB2 1.487
2HB 1.487
1HB 1.487
HB3 1.487
HB1 1.487
HB3 1.487
HB2 1.487
2HB 1.487
HB1 1.487
CG 1.908
HG2 1.487
2HG 1.487
HG3 1.487
HG1 1.487
1HG 1.487
HG3 1.487
HG2 1.487
2HG 1.487
HG1 1.487
CD 1.908
OE1 1.6612
OE2 1.6612
C 1.908
O 1.6612
>GLY
N 1.824
H 0.6
HN 0.6
CA 1.908
HA2 1.387
HA1 1.387
1HA 1.387
2HA 1.387
HA3 1.387
HA3 1.387
HA1 1.387
HA2 1.387
2HA 1.387
C 1.908
O 1.6612
>HID
N 1.824
H 0.6
CA 1.908
HA 1.387
CB 1.908
HB2 1.487
HB3 1.487
CG 1.85
ND1 1.75
HD1 0.6
CE1 1.85
HE1 1.359
NE2 1.75
CD2 2
HD2 1.409
C 1.908
O 1.6612
>HIE
N 1.824
H 0.6
CA 1.908
HA 1.387
CB 1.908
HB2 1.487
HB3 1.487
CG 1.85
ND1 1.75
CE1 1.85
HE1 1.359
NE2 1.75
HE2 0.6
CD2 2
HD2 1.409
C 1.908
O 1.6612
>HIP
N 1.824
H 0.6
CA 1.908
HA 1.387
CB 1.908
HB2 1.487
HB3 1.487
CG 1.85
ND1 1.75
HD1 0.6
CE1 1.85
HE1 1.359
NE2 1.75
HE2 0.6
CD2 2
HD2 1.409
C 1.908
O 1.6612
>ILE
N 1.824
H 0.6
HN 0.6
CA 1.908
HA 1.387
CB 1.908
HB 1.487
CG2 1.908
HG21 1.487
1HG2 1.487
HG22 1.487
2HG2 1.487
HG23 1.487
3HG2 1.487
CG1 1.908
HG12 1.487
2HG1 1.487
HG13 1.487
HG11 1.487
1HG1 1.487
HG13 1.487
2HG1 1.487
HG11 1.487
HG12 1.487
CD1 1.908
HD11 1.487
1HD1 1.487
HD12 1.487
2HD1 1.487
HD13 1.487
3HD1 1.487
C 1.908
O 1.6612
>LEU
N 1.824
H 0.6
HN 0.6
CA 1.908
HA 1.387
CB 1.908
HB2 1.487
2HB 1.487
1HB 1.487
HB3 1.487
HB1 1.487
HB3 1.487
HB2 1.487
2HB 1.487
HB1 1.487
CG 1.908
HG 1.487
CD1 1.908
HD11 1.487
1HD1 1.487
HD12 1.487
2HD1 1.487
HD13 1.487
3HD1 1.487
CD2 1.908
HD21 1.487
1HD2 1.487
HD22 1.487
2HD2 1.487
HD23 1.487
3HD2 1.487
C 1.908
O 1.6612
>LYN
N 1.824
H 0.6
CA 1.908
HA 1.387
CB 1.908
HB2 1.487
HB3 1.487
CG 1.908
HG2 1.487
HG3 1.487
CD 1.908
HD2 1.487
HD3 1.487
CE 1.908
HE2 1.1
HE3 1.1
NZ 1.824
HZ2 0.6
HZ3 0.6
C 1.908
O 1.6612
>LYS
N 1.824
H 0.6
HN 0.6
CA 1.908
HA 1.387
CB 1.908
HB2 1.487
2HB 1.487
1HB 1.487
HB3 1.487
HB1 1.487
HB3 1.487
HB2 1.487
2HB 1.487
HB1 1.487
CG 1.908
HG2 1.487
2HG 1.487
HG3 1.487
HG1 1.487
1HG 1.487
HG3 1.487
HG2 1.487
2HG 1.487
HG1 1.487
CD 1.908
HD2 1.487
1HD 1.487
2HD 1.487
HD3 1.487
HD1 1.487
HD3 1.487
HD2 1.487
2HD 1.487
HD1 1.487
CE 1.908
HE2 1.1
2HE 1.1
HE3 1.1
1HE 1.1
HE1 1.1
HE3 1.1
2HE 1.1
HE2 1.1
HE1 1.1
NZ 1.824
HZ1 0.6
1HZ 0.6
HZ2 0.6
2HZ 0.6
HZ3 0.6
3HZ 0.6
C 1.908
O 1.6612
>MET
N 1.824
H 0.6
HN 0.6
CA 1.908
HA 1.387
CB 1.908
HB2 1.487
2HB 1.487
1HB 1.487
HB3 1.487
HB1 1.487
HB3 1.487
HB2 1.487
2HB 1.487
HB1 1.487
CG 1.908
HG2 1.387
2HG 1.387
HG3 1.387
HG1 1.387
1HG 1.387
HG3 1.387
HG2 1.387
2HG 1.387
HG1 1.387
SD 2
CE 1.908
HE1 1.387
1HE 1.387
HE2 1.387
2HE 1.387
HE3 1.387
3HE 1.387
C 1.908
O 1.6612
>PHE
N 1.824
H 0.6
HN 0.6
CA 1.908
HA 1.387
CB 1.908
HB2 1.487
2HB 1.487
1HB 1.487
HB3 1.487
HB1 1.487
HB3 1.487
HB2 1.487
2HB 1.487
HB1 1.487
CG 1.908
CD1 1.908
HD1 1.459
CE1 1.908
HE1 1.459
CZ 1.908
HZ 1.459
CE2 1.908
HE2 1.459
CD2 1.908
HD2 1.459
C 1.908
O 1.6612
>PRO
N 1.824
CD 1.908
HD2 1.387
1HD 1.387
2HD 1.387
HD3 1.387
HD1 1.387
HD3 1.387
HD2 1.387
2HD 1.387
HD1 1.387
CG 1.908
HG2 1.487
2HG 1.487
HG3 1.487
HG1 1.487
1HG 1.487
HG3 1.487
HG2 1.487
2HG 1.487
HG1 1.487
CB 1.908
HB2 1.487
2HB 1.487
1HB 1.487
HB3 1.487
HB1 1.487
HB3 1.487
HB2 1.487
2HB 1.487
HB1 1.487
CA 1.908
HA 1.387
C 1.908
O 1.6612
>SER
N 1.824
H 0.6
HN 0.6
CA 1.908
HA 1.387
CB 1.908
HB2 1.387
2HB 1.387
1HB 1.387
HB3 1.387
HB1 1.387
HB3 1.387
HB2 1.387
2HB 1.387
HB1 1.387
OG 1.721
HG 0.0001
C 1.908
O 1.6612
>THR
N 1.824
H 0.6
HN 0.6
CA 1.908
HA 1.387
CB 1.908
HB 1.387
CG2 1.908
HG21 1.487
1HG2 1.487
HG22 1.487
2HG2 1.487
HG23 1.487
3HG2 1.487
OG1 1.721
HG1 0.0001
C 1.908
O 1.6612
>TRP
N 1.824
H 0.6
HN 0.6
CA 1.908
HA 1.387
CB 1.908
HB2 1.487
2HB 1.487
1HB 1.487
HB3 1.487
HB1 1.487
HB3 1.487
HB2 1.487
2HB 1.487
HB1 1.487
CG 1.85
CD1 2
HD1 1.409
NE1 1.75
HE1 0.6
CE2 1.85
CZ2 1.908
HZ2 1.459
CH2 1.908
HH2 1.459
CZ3 1.908
HZ3 1.459
CE3 1.908
HE3 1.459
CD2 1.85
C 1.908
O 1.6612
>TYR
N 1.824
H 0.6
HN 0.6
CA 1.908
HA 1.387
CB 1.908
HB2 1.487
2HB 1.487
1HB 1.487
HB3 1.487
HB1 1.487
HB3 1.487
HB2 1.487
2HB 1.487
HB1 1.487
CG 1.908
CD1 1.908
HD1 1.459
CE1 1.908
HE1 1.459
CZ 1.908
OH 1.721
HH 0.0001
CE2 1.908
HE2 1.459
CD2 1.908
HD2 1.459
C 1.908
O 1.6612
>VAL
N 1.824
H 0.6
HN 0.6
CA 1.908
HA 1.387
CB 1.908
HB 1.487
CG1 1.908
CG2 1.908
HG11 1.487
1HG2 1.487
1HG1 1.487
HG21 1.487
HG12 1.487
2HG1 1.487
HG22 1.487
2HG2 1.487
HG13 1.487
3HG2 1.487
3HG1 1.487
HG23 1.487
CG2 1.908
CG1 1.908
HG21 1.487
1HG2 1.487
1HG1 1.487
HG11 1.487
HG22 1.487
2HG1 1.487
2HG2 1.487
HG12 1.487
HG23 1.487
3HG2 1.487
3HG1 1.487
HG13 1.487
C 1.908
O 1.6612
>HIS
N 1.824
H 0.6
HN 0.6
CA 1.908
HA 1.387
CB 1.908
HB2 1.487
2HB 1.487
1HB 1.487
HB3 1.487
HB1 1.487
HB3 1.487
HB2 1.487
2HB 1.487
HB1 1.487
CG 1.85
ND1 1.75
HD1 0.6
CE1 1.85
HE1 1.359
NE2 1.75
CD2 2
HD2 1.409
C 1.908
O 1.6612
>PTR
N 1.824
H 0.6
CA 1.908
HA 1.387
CB 1.908
HB2 1.487
HB3 1.487
CG 1.908
CD1 1.908
HD1 1.459
CE1 1.908
HE1 1.459
CZ 1.908
CE2 1.908
HE2 1.459
CD2 1.908
HD2 1.459
OH 1.6837
P 2.1
O1P 1.85
O2P 1.85
O3P 1.85
C 1.908
O 1.6612
>SEP
N 1.824
H 0.6
CA 1.908
HA 1.387
CB 1.908
HB2 1.387
HB3 1.387
1HB 1.387
2HB 1.387
OG 1.6837
P 2.1
O1P 1.85
O2P 1.85
O3P 1.85
C 1.908
O 1.6612
>TPO
N 1.824
H 0.6
CA 1.908
HA 1.387
CB 1.908
HB 1.387
CG2 1.908
HG21 1.487
HG22 1.487
HG23 1.487
1HG2 1.487
2HG2 1.487
3HG2 1.487
OG1 1.6837
P 2.1
O1P 1.85
O2P 1.85
O3P 1.85
C 1.908
O 1.6612
>H2D
N 1.824
H 0.6
CA 1.908
HA 1.387
CB 1.908
HB2 1.487
HB3 1.487
CG 1.85
ND1 1.75
CE1 1.85
HE1 1.359
NE2 1.75
HE2 0.6
CD2 2
HD2 1.409
P 2.1
O1P 1.85
O2P 1.85
O3P 1.85
C 1.908
O 1.6612
>Y1P
N 1.824
H 0.6
CA 1.908
HA 1.387
CB 1.908
HB2 1.487
HB3 1.487
CG 1.908
CD1 1.908
HD1 1.459
CE1 1.908
HE1 1.459
CZ 1.908
CE2 1.908
HE2 1.459
CD2 1.908
HD2 1.459
OG 1.6837
P 2.1
O1P 1.721
O2P 1.6612
O3P 1.6612
H1P 0.0001
C 1.908
O 1.6612
>T1P
N 1.824
H 0.6
CA 1.908
HA 1.387
CB 1.908
HB 1.387
CG2 1.908
HG21 1.487
HG22 1.487
HG23 1.487
OG 1.6837
P 2.1
O1P 1.721
O2P 1.6612
O3P 1.6612
H1P 0.0001
C 1.908