# atom_parameters    26 lines   26 atom types including DNA and RNA 
2.0000, 0.1200, 14.7, 3.5,  0.00,  0 0 0  1  # carbonyl C in Asn and Gln and guanidyl C in Arg
2.0000, 0.1200,  8.3, 3.5, -1.40,  0 0 0  2  # carboxyl C in Asp and Glu
2.0000, 0.0486, 23.7, 3.5, -0.25,  0 0 0  3  # aliphatic C with one H (Val, Ile, Thr)
2.0000, 0.1142, 22.4, 3.5,  0.52,  0 0 0  4  # aliphatic C with two H (other residues)
2.0000, 0.1811, 30.0, 3.5,  1.50,  0 0 0  5  # aliphatic C with three H (Ala)
2.0000, 0.1200, 18.4, 3.5,  0.08,  0 0 0  6  # aromatic ring C (His, Phe, Tyr, Trp)
1.7500, 0.2384,  4.4, 3.5,  -8.9,  0 1 0  7  # N in Trp side-chain
1.7500, 0.2384,  4.4, 3.5,  -4.0,  1 0 0  8  # N in His side-chain
1.7500, 0.2384, 11.2, 3.5,  -10.0, 0 1 0  9  # N in Asn and Gln side-chain
1.7500, 0.2384, 11.2, 6.0,  -20.0, 0 1 0  10 # N in Lys side-chain, N-terminus?
1.7500, 0.2384, 11.2, 6.0,  -11.0, 0 1 0  11 # N in Arg side-chain
1.7500, 0.2384,  0.0, 3.5,  -1.55, 0 1 0  12 # N in Pro backbone
1.5500, 0.1591, 10.8, 3.5,  -6.77, 1 1 0  13 # hydroxyl O in Ser, Thr and Tyr
1.5500, 0.1591, 10.8, 3.5,  -10.0, 1 0 0  14 # carbonyl O in Asn and Gln
1.5500, 0.2100, 10.8, 6.0,  -10.0, 1 0 0  15 # carboyxl O in Asp and Glu
1.9000, 0.1600, 14.7, 3.5,  -4.1,  0 0 0  16 # sulfur in Cys and Met
1.7500, 0.2384,  4.4, 3.5,  -5.0,  0 1 0  17 # backbone N'
2.0000, 0.0486, 23.7, 3.5,   1.0,  0 0 0  18 # backbone CA
2.0000, 0.1400, 14.7, 3.5,   1.0,  0 0 0  19 # backbone C'
1.5500, 0.1591, 10.8, 3.5,  -5.0,  1 0 0  20 # backbone O'
1.9000, 0.3182, 14.7, 3.5,  -4.1,  0 0 0  21 # nucleic acid P
0.1000, 0.0500,  0.0, 3.5,   0.0,  0 0 1  22 # polar H
0.7000, 0.0500,  0.0, 3.5,   0.0,  0 0 0  23 # nonpolar H
0.7000, 0.0500,  0.0, 3.5,   0.0,  0 0 0  24 # aromatic H
0.1000, 0.0500,  0.0, 3.5,   0.0,  0 0 1  25 # backbone HN
1.4000, 0.0500,  0.0, 3.5,   0.0,  1 1 0  26 # H2O
0.1,	0,	0,	0,	0,	0 0 0		27 # for atoms that serve as a place holder
radius  welldepth lk_volume lk_lambda lk_dgfree acceptor donor hbondH
# restype   25 lines    atoms forming a residue. 
A 6 N 17 CA 18 C 19 O 20 H 25 CB 5 
C 7 N 17 CA 18 C 19 O 20 H 25 CB 4 SG 16
D 9 N 17 CA 18 C 19 O 20 H 25 CB 4 CG 2 OD1 15 OD2 15 
E 10 N 17 CA 18 C 19 O 20 H 25 CB 4 CG 4 CD 2 OE1 15 OE2 15 
F 12 N 17 CA 18 C 19 O 20 H 25 CB 4 CG 6 CD1 6 CD2 6 CE1 6 CE2 6 CZ 6 
G 5 N 17 CA 18 C 19 O 20 H 25
H 13 N 17 CA 18 C 19 O 20 H 25 CB 4 CG 6 ND1 8 CD2 6 CE1 6 NE2 8 HD1 22 HE2 22 
I 9 N 17 CA 18 C 19 O 20 H 25 CB 3 CG1 4 CG2 5 CD1 5
K 10 N 17 CA 18 C 19 O 20 H 25 CB 4 CG 4 CD 4 CE 4 NZ 10
L 9 N 17 CA 18 C 19 O 20 H 25 CB 4 CG 3 CD1 5 CD2 5 
M 9 N 17 CA 18 C 19 O 20 H 25 CB 4 CG 4 SD 16 CE 5
N 11 N 17 CA 18 C 19 O 20 H 25 CB 4 CG 1 OD1 14 ND2 9 1HD2 22 2HD2 22 
P 8 N 12 CA 18 C 19 O 20 H 23 CB 4 CG 4 CD 4 
Q 12 N 17 CA 18 C 19 O 20 H 25 CB 4 CG 4 CD 1 OE1 14 NE2 9 1HE2 22 2HE2 22 
R 17 N 17 CA 18 C 19 O 20 H 25 CB 4 CG 4 CD 4 NE 11 CZ 1 NH1 11 NH2 11 HE 22 1HH1 22 2HH1 22 1HH2 22 2HH2 22 
S 7 N 17 CA 18 C 19 O 20 H 25 CB 4 OG 13 
T 8 N 17 CA 18 C 19 O 20 H 25 CB 3 OG1 13 CG2 5 
V 8 N 17 CA 18 C 19 O 20 H 25 CB 3 CG1 5 CG2 5 
W 16 N 17 CA 18 C 19 O 20 H 25 CB 4 CG 6 CD1 6 CD2 6 NE1 7 CE2 6 CE3 6 CZ2 6 CZ3 6 CH2 6 HH2 22 
Y 13 N 17 CA 18 C 19 O 20 H 25 CB 4 CG 6 CD1 6 CD2 6 CE1 6 CE2 6 CZ 6 OH 13 
a 21 P 21 O1P 15 O2P 15 O5* 14 C5* 4 C4* 3 O4* 13 C3* 3 O3* 14 C2* 4 C1* 3 N9 12 C8 6 N7 8 C5 6 C6 6 N6 9 N1 8 C2 6 N3 8 C4 6
c 19 P 21 O1P 15 O2P 15 O5* 14 C5* 4 C4* 3 O4* 13 C3* 3 O3* 14 C2* 4 C1* 3 N1 8 C2 19 O2 20 N3 8 C4 6 N4 9 C5 6 C6 6
g 22 P 21 O1P 15 O2P 15 O5* 14 C5* 4 C4* 3 O4* 13 C3* 3 O3* 14 C2* 4 C1* 3 N9 12 C8 6 N7 8 C5 6 C6 19 O6 20 N1 7 C2 6 N2 9 N3 8 C4 6
t 20 P 21 O1P 15 O2P 15 O5* 14 C5* 4 C4* 3 O4* 13 C3* 3 O3* 14 C2* 4 C1* 3 N1 8 C2 19 O2 20 N3 7 C4 19 O4 20 C5 6 C5M 5 C6 6
u 19 P 21 O1P 15 O2P 15 O5* 14 C5* 4 C4* 3 O4* 13 C3* 3 O3* 14 C2* 4 C1* 3 N1 8 C2 19 O2 20 N3 7 C4 19 O4 20 C5 6 C6 6
# atomDependency   25 lines   calculate one atom based on preceding three atoms.
0 A N 0 1 2 CA 1 2 0 C 2 0 1 O 0 1 2 H 1 2 0 CB 0 2 1
1 C N 0 1 2 CA 1 2 0 C 2 0 1 O 0 1 2 H 1 2 0 CB 0 2 1 SG 0 1 5 
2 D N 0 1 2 CA 1 2 0 C 2 0 1 O 0 1 2 H 1 2 0 CB 0 2 1 CG 0 1 5 OD1 1 5 6 OD2 7 5 6 
3 E N 0 1 2 CA 1 2 0 C 2 0 1 O 0 1 2 H 1 2 0 CB 0 2 1 CG 0 1 5 CD 1 5 6 OE1 5 6 7 OE2 8 6 7 
4 F N 0 1 2 CA 1 2 0 C 2 0 1 O 0 1 2 H 1 2 0 CB 0 2 1 CG 0 1 5 CD1 1 5 6 CD2 7 5 6 CE1 5 6 7 CE2 5 6 8 CZ 6 7 9 
5 G N 0 1 2 CA 1 2 0 C 2 0 1 O 0 1 2 H 1 2 0 CB 0 2 1
6 H N 0 1 2 CA 1 2 0 C 2 0 1 O 0 1 2 H 1 2 0 CB 0 2 1 CG 0 1 5 ND1 1 5 6 CD2 7 5 6 CE1 5 6 7 NE2 5 6 8 HD1 5 6 7 HE2 6 8 10 
7 I N 0 1 2 CA 1 2 0 C 2 0 1 O 0 1 2 H 1 2 0 CB 0 2 1 CG1 0 1 5 CG2 6 1 5 CD1 1 5 6 
8 K N 0 1 2 CA 1 2 0 C 2 0 1 O 0 1 2 H 1 2 0 CB 0 2 1 CG 0 1 5 CD 1 5 6 CE 5 6 7 NZ 6 7 8 
9 L N 0 1 2 CA 1 2 0 C 2 0 1 O 0 1 2 H 1 2 0 CB 0 2 1 CG 0 1 5 CD1 1 5 6 CD2 7 5 6 
10 M N 0 1 2 CA 1 2 0 C 2 0 1 O 0 1 2 H 1 2 0 CB 0 2 1 CG 0 1 5 SD 1 5 6 CE 5 6 7 
11 N N 0 1 2 CA 1 2 0 C 2 0 1 O 0 1 2 H 1 2 0 CB 0 2 1 CG 0 1 5 OD1 1 5 6 ND2 7 5 6 1HD2 5 6 8 2HD2 5 6 8 
12 P N 0 1 2 CA 1 2 0 C 2 0 1 O 0 1 2 H 1 2 0 CB 0 2 1 CG 0 1 5 CD 1 5 6 
13 Q N 0 1 2 CA 1 2 0 C 2 0 1 O 0 1 2 H 1 2 0 CB 0 2 1 CG 0 1 5 CD 1 5 6 OE1 5 6 7 NE2 8 6 7 1HE2 6 7 9 2HE2 6 7 9 
14 R N 0 1 2 CA 1 2 0 C 2 0 1 O 0 1 2 H 1 2 0 CB 0 2 1 CG 0 1 5 CD 1 5 6 NE 5 6 7 CZ 6 7 8 NH1 7 8 9 NH2 10 8 9 HE 9 7 8 1HH1 8 9 10 2HH1 8 9 10 1HH2 8 9 11 2HH2 8 9 11 
15 S N 0 1 2 CA 1 2 0 C 2 0 1 O 0 1 2 H 1 2 0 CB 0 2 1 OG 0 1 5 
16 T N 0 1 2 CA 1 2 0 C 2 0 1 O 0 1 2 H 1 2 0 CB 0 2 1 OG1 0 1 5 CG2 6 1 5 
17 V N 0 1 2 CA 1 2 0 C 2 0 1 O 0 1 2 H 1 2 0 CB 0 2 1 CG1 0 1 5 CG2 6 1 5 
18 W N 0 1 2 CA 1 2 0 C 2 0 1 O 0 1 2 H 1 2 0 CB 0 2 1 CG 0 1 5 CD1 1 5 6 CD2 7 5 6 NE1 5 6 7 CE2 5 6 8 CE3 5 6 8 CZ2 6 8 10 CZ3 6 8 11 CH2 8 10 12 HH2 6 7 9 
19 Y N 0 1 2 CA 1 2 0 C 2 0 1 O 0 1 2 H 1 2 0 CB 0 2 1 CG 0 1 5 CD1 1 5 6 CD2 7 5 6 CE1 5 6 7 CE2 5 6 8 CZ 6 7 9 OH 7 9 11 
20 a P 0 0 0 O1P 1 1 1 O2P 2 2 2 O5* 3 3 3 C5* 4 4 4 C4* 5 5 5 O4* 6 6 6 C3* 7 7 7 O3* 8 8 8 C2* 9 9 9 C1* 7 8 9 N9 8 9 10 C8 9 10 11 N7 10 11 12 C5 11 12 13 C6 12 13 14 N6 13 14 15 N1 13 14 15 C2 14 15 17 N3 15 17 18 C4 17 18 19
21 c P 0 0 0 O1P 1 1 1 O2P 2 2 2 O5* 3 3 3 C5* 4 4 4 C4* 5 5 5 O4* 6 6 6 C3* 7 7 7 O3* 8 8 8 C2* 9 9 9 C1* 7 8 9 N1 8 9 10 C2 9 10 11 O2 10 11 12 N3 10 11 12 C4 11 12 14 N4 12 14 15 C5 12 14 15 C6 14 15 17
22 g P 0 0 0 O1P 1 1 1 O2P 2 2 2 O5* 3 3 3 C5* 4 4 4 C4* 5 5 5 O4* 6 6 6 C3* 7 7 7 O3* 8 8 8 C2* 9 9 9 C1* 7 8 9 N9 8 9 10 C8 9 10 11 N7 10 11 12 C5 11 12 13 C6 12 13 14 O6 13 14 15 N1 13 14 15 C2 14 15 17 N2 15 17 18 N3 15 17 18 C4 17 18 20
23 t P 0 0 0 O1P 1 1 1 O2P 2 2 2 O5* 3 3 3 C5* 4 4 4 C4* 5 5 5 O4* 6 6 6 C3* 7 7 7 O3* 8 8 8 C2* 9 9 9 C1* 7 8 9 N1 8 9 10 C2 9 10 11 O2 10 11 12 N3 10 11 12 C4 11 12 14 O4 12 14 15 C5 12 14 15 C5M 14 15 17 C6 14 15 17
24 u P 0 0 0 O1P 1 1 1 O2P 2 2 2 O5* 3 3 3 C5* 4 4 4 C4* 5 5 5 O4* 6 6 6 C3* 7 7 7 O3* 8 8 8 C2* 9 9 9 C1* 7 8 9 N1 8 9 10 C2 9 10 11 O2 10 11 12 N3 10 11 12 C4 11 12 14 O4 12 14 15 C5 12 14 15 C6 14 15 17
# bondParameter    25 lines    bond length and bond angle
0 A N 1.329 116.2 CA 1.458 121.7 C 1.525 111.2 O 1.231 120.8 H 1.01 123 CB 1.521 110.4 
1 C N 1.329 116.2 CA 1.458 121.7 C 1.525 111.2 O 1.231 120.8 H 1.01 123 CB 1.521 110.4 SG 1.822 114.4 
2 D N 1.329 116.2 CA 1.458 121.7 C 1.525 111.2 O 1.231 120.8 H 1.01 123 CB 1.521 110.4 CG 1.516 112.6 OD1 1.249 118.4 OD2 1.249 118.4 
3 E N 1.329 116.2 CA 1.458 121.7 C 1.525 111.2 O 1.231 120.8 H 1.01 123 CB 1.521 110.4 CG 1.52 114.1 CD 1.516 112.6 OE1 1.249 118.4 OE2 1.249 118.4 
4 F N 1.329 116.2 CA 1.458 121.7 C 1.525 111.2 O 1.231 120.8 H 1.01 123 CB 1.521 110.4 CG 1.502 113.8 CD1 1.384 120.7 CD2 1.384 120 CE1 1.384 120 CE2 1.384 120 CZ 1.384 120 
5 G N 1.329 116.2 CA 1.458 121.7 C 1.525 111.2 O 1.231 120.8 H 1.01 123 CB 0.001 110.4 
6 H N 1.329 116.2 CA 1.458 121.7 C 1.525 111.2 O 1.231 120.8 H 1.01 123 CB 1.521 110.4 CG 1.497 113.8 ND1 1.378 122.7 CD2 1.356 129.1 CE1 1.345 109 NE2 1.319 109.5 HD1 0.98 120 HE2 0.98 120 
7 I N 1.329 116.2 CA 1.458 121.7 C 1.525 111.2 O 1.231 120.8 H 1.01 123 CB 1.521 110.4 CG1 1.53 110.4 CG2 1.521 110.5 CD1 1.513 113.8 
8 K N 1.329 116.2 CA 1.458 121.7 C 1.525 111.2 O 1.231 120.8 H 1.01 123 CB 1.521 110.4 CG 1.52 114.1 CD 1.52 111.3 CE 1.52 111.3 NZ 1.489 111.9 
9 L N 1.329 116.2 CA 1.458 121.7 C 1.525 111.2 O 1.231 120.8 H 1.01 123 CB 1.521 110.4 CG 1.53 116.3 CD1 1.521 110.7 CD2 1.521 110.7 
10 M N 1.329 116.2 CA 1.458 121.7 C 1.525 111.2 O 1.231 120.8 H 1.01 123 CB 1.521 110.4 CG 1.52 114.1 SD 1.803 112.7 CE 1.791 100.9 
11 N N 1.329 116.2 CA 1.458 121.7 C 1.525 111.2 O 1.231 120.8 H 1.01 123 CB 1.521 110.4 CG 1.516 112.6 OD1 1.249 118.4 ND2 1.328 116.4 1HD2 0.98 120 2HD2 0.98 120 
12 P N 1.329 116.2 CA 1.458 121.7 C 1.525 111.2 O 1.231 120.8 H 0.00 123 CB 1.521 110.4 CG 1.492 104.5 CD 1.503 106.1 
13 Q N 1.329 116.2 CA 1.458 121.7 C 1.525 111.2 O 1.231 120.8 H 1.01 123 CB 1.521 110.4 CG 1.52 114.1 CD 1.516 112.6 OE1 1.249 118.4 NE2 1.328 116.4 1HE2 0.98 120 2HE2 0.98 120 
14 R N 1.329 116.2 CA 1.458 121.7 C 1.525 111.2 O 1.231 120.8 H 1.01 123 CB 1.521 110.4 CG 1.52 114.1 CD 1.52 111.3 NE 1.46 112 CZ 1.329 124.2 NH1 1.326 120 NH2 1.326 120 HE 0.98 120 1HH1 0.98 120 2HH1 0.98 120 1HH2 0.98 120 2HH2 0.98 120 
15 S N 1.329 116.2 CA 1.458 121.7 C 1.525 111.2 O 1.231 120.8 H 1.01 123 CB 1.521 110.4 OG 1.417 111.1 
16 T N 1.329 116.2 CA 1.458 121.7 C 1.525 111.2 O 1.231 120.8 H 1.01 123 CB 1.521 110.4 OG1 1.433 109.6 CG2 1.521 110.5 
17 V N 1.329 116.2 CA 1.458 121.7 C 1.525 111.2 O 1.231 120.8 H 1.01 123 CB 1.521 110.4 CG1 1.521 110.5 CG2 1.521 110.5 
18 W N 1.329 116.2 CA 1.458 121.7 C 1.525 111.2 O 1.231 120.8 H 1.01 123 CB 1.521 110.4 CG 1.498 113.6 CD1 1.365 126.9 CD2 1.433 126.8 NE1 1.374 110.2 CE2 1.409 107.2 CE3 1.398 133.9 CZ2 1.394 122.4 CZ3 1.382 118.6 CH2 1.382 120 HH2 0.98 120 
19 Y N 1.329 116.2 CA 1.458 121.7 C 1.525 111.2 O 1.231 120.8 H 1.01 123 CB 1.521 110.4 CG 1.512 113.9 CD1 1.389 120.8 CD2 1.389 120.8 CE1 1.382 121.2 CE2 1.382 121.2 CZ 1.378 119.6 OH 1.376 119.9 
20 a P 0 0 O1P 1 1 O2P 2 2 O5* 3 3 C5* 4 4 C4* 5 5 O4* 6 6 C3* 7 7 O3* 8 8 C2* 9 9 C1* 0 0 N9 1.462 0 C8 1.373 127.7 N7 1.311 113.8 C5 1.388 103.9 C6 1.406 132.3 N6 1.335 123.7 N1 1.351 117.7 C2 1.339 118.6 N3 1.331 129.3 C4 1.344 110.6
21 c P 0 0 O1P 1 1 O2P 2 2 O5* 3 3 C5* 4 4 C4* 5 5 O4* 6 6 C3* 7 7 O3* 8 8 C2* 9 9 C1* 0 0 N1 1.470 0 C2 1.397 118.8 O2 1.240 118.9 N3 1.353 119.2 C4 1.335 119.9 N4 1.335 118.0 C5 1.425 121.9 C6 1.339 117.4
22 g P 0 0 O1P 1 1 O2P 2 2 O5* 3 3 C5* 4 4 C4* 5 5 O4* 6 6 C3* 7 7 O3* 8 8 C2* 9 9 C1* 0 0 N9 1.459 0 C8 1.374 127.0 N7 1.305 113.1 C5 1.388 104.3 C6 1.419 130.4 O6 1.237 128.6 N1 1.391 111.5 C2 1.373 125.1 N2 1.341 116.2 N3 1.323 123.9 C4 1.350 111.9
23 t P 0 0 O1P 1 1 O2P 2 2 O5* 3 3 C5* 4 4 C4* 5 5 O4* 6 6 C3* 7 7 O3* 8 8 C2* 9 9 C1* 0 0 N1 1.473 0 C2 1.376 118.2 O2 1.220 123.1 N3 1.373 114.6 C4 1.382 127.2 O4 1.228 119.9 C5 1.445 115.2 C5M 1.496 119.0 C6 1.339 118.0
24 u P 0 0 O1P 1 1 O2P 2 2 O5* 3 3 C5* 4 4 C4* 5 5 O4* 6 6 C3* 7 7 O3* 8 8 C2* 9 9 C1* 0 0 N1 1.469 0 C2 1.381 117.7 O2 1.219 122.8 N3 1.373 114.9 C4 1.380 127.0 O4 1.232 119.4 C5 1.431 114.6 C6 1.337 119.7 
# residueSize      20 lines  residue radius, backbone radius, side-chain radius,  radii is the distance between residue geometrical center and the heavy atom which is farthest away from the center
0 A 1.93 1.93 0
1 C 2.70 2.70 0
2 D 2.87 1.12 1.12
3 E 3.56 1.44 1.44
4 F 4.05 1.39 1.39
5 G 1.93 1.93 0
6 H 3.79 1.18 1.18
7 I 3.10 2.10 2.10
8 K 4.52 1.93 1.93
9 L 2.98 1.27 1.27
10 M 4.13 1.44 1.44
11 N 2.79 1.18 1.18
12 P 2.31 0.76 0.76
13 Q 3.54 1.44 1.44
14 R 4.68 2.72 2.72
15 S 2.43 2.43 0 
16 T 2.37 1.20 1.20
17 V 2.43 1.24 1.24
18 W 4.64 2.39 2.39
19 Y 4.53 2.37 2.37
# torsionAngle       20 lines -1234 means undefined, other angles calculated from pc20res1.6 with 675 proteins 
A 6 N -1234 CA -1234 C -1234 O 180 H 180 CB 122.55 
C 7 N -1234 CA -1234 C -1234 O 180 H 180 CB 122.55 SG -1234
D 9 N -1234 CA -1234 C -1234 O 180 H 180 CB 122.55 CG -1234 OD1 -1234 OD2 180
E 10 N -1234 CA -1234 C -1234 O 180 H 180 CB 122.55 CG -1234 CD -1234 OE1 -1234 OE2 180 
F 12 N -1234 CA -1234 C -1234 O 180 H 180 CB 122.55 CG -1234 CD1 -1234 CD2 180 CE1 180 CE2 180 CZ 0
G 6 N -1234 CA -1234 C -1234 O 180 H 180 CB 122.55
H 13 N -1234 CA -1234 C -1234 O 180 H 180 CB 122.55 CG -1234 ND1 -1234 CD2 180 CE1 180 NE2 180 HD1 0 HE2 180 
I 9 N -1234 CA -1234 C -1234 O 180 H 180 CB 122.55 CG1 -1234 CG2 -123.52 CD1 -1234   
K 10 N -1234 CA -1234 C -1234 O 180 H 180 CB 122.55 CG -1234 CD -1234 CE -1234 NZ -1234
L 9 N -1234 CA -1234 C -1234 O 180 H 180 CB 122.55 CG -1234 CD1 -1234 CD2 122.57
M 9 N -1234 CA -1234 C -1234 O 180 H 180 CB 122.55 CG -1234 SD -1234 CE -1234
N 11 N -1234 CA -1234 C -1234 O 180 H 180 CB 122.55 CG -1234 OD1 -1234 ND2 180 1HD2 0 2HD2 180 
P 7 N -1234 CA -1234 C -1234 O 180 H 180 CB 122.55 CG -1234 CD -1234 
Q 12 N -1234 CA -1234 C -1234 O 180 H 180 CB 122.55 CG -1234 CD -1234 OE1 -1234 NE2 180 1HE2 0 2HE2 180 
R 17 N -1234 CA -1234 C -1234 O 180 H 180 CB 122.55 CG -1234 CD -1234 NE -1234 CZ -1234 NH1 0 NH2 180 HE 180 1HH1 180 2HH1 0 1HH2 180 2HH2 0 
S 7 N -1234 CA -1234 C -1234 O 180 H 180 CB 122.55 OG -1234
T 8 N -1234 CA -1234 C -1234 O 180 H 180 CB 122.55 OG1 -1234 CG2 -121.38 
V 8 N -1234 CA -1234 C -1234 O 180 H 180 CB 122.55 CG1 -1234 CG2 122.72 
W 16 N -1234 CA -1234 C -1234 O 180 H 180 CB 122.55 CG -1234 CD1 -1234 CD2 -180 NE1 180 CE2 180 CE3 0 CZ2 180 CZ3 180 CH2 0 HH2 180 
Y 13 N -1234 CA -1234 C -1234 O 180 H 180 CB 122.55 CG -1234 CD1 -1234 CD2 -180 CE1 180 CE2 180 CZ 0 OH -180 
a 21 P -1234 O1P -1234 O2P -1234 O5* -1234 C5* -1234 C4* -1234 O4* -1234 C3* -1234 O3* -1234 C2* -1234 C1* -1234 N9 -1234 C8 -1234 N7 180 C5 0 C6 180 N6 0 N1 180 C2 0 N3 0 C4 0
c 19 P -1234 O1P -1234 O2P -1234 O5* -1234 C5* -1234 C4* -1234 O4* -1234 C3* -1234 O3* -1234 C2* -1234 C1* -1234 N1 -1234 C2 -1234 O2 0 N3 180 C4 0 N4 180 C5 0 C6 0
g 22 P -1234 O1P -1234 O2P -1234 O5* -1234 C5*  -1234 C4* -1234 O4* -1234 C3* -1234 O3* -1234 C2* -1234 C1* -1234 N9 -1234 C8 -1234 N7 180 C5 0 C6 180 O6 0 N1 180 C2 0 N2 180 N3 0 C4 0
t 20 P -1234 O1P -1234 O2P -1234 O5* -1234 C5* -1234 C4* -1234 O4* -1234 C3* -1234 O3* -1234 C2* -1234 C1*  -1234 N1 -1234 C2 -1234 O2 0 N3 180 C4 0 O4 180 C5 0 C5M 180 C6 0
u 19 P -1234 O1P -1234 O2P -1234 O5* -1234 C5* -1234 C4* -1234 O4* -1234 C3* -1234 O3* -1234 C2* -1234 C1* -1234 N1 -1234 C2 -1234 O2 0 N3 180 C4 0 O4 180 C5 0 C6 0
