NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
2932 |
1cur   |
cing | 1-original | 5 | AMBER | distance | NOE | simple |
# 1 GLY HA2 2 THR HN 3.70
&rst iat= 4, 9, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
rk2=0.0, rk3=20.0, ir6=1,
&end
#
# 2 THR HN 2 THR HB 3.70
&rst iat= 9, 13, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 2 THR HN 2 THR MG 5.00
&rst iat= 9, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 15, 16, 17, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
## 2 THR HA 3 LEU HN 3.00
## &rst iat= 11, 23, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end 3/25/96.
#
# 2 THR HN 3 LEU HN 4.00
&rst iat= 9, 23, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 3 LEU HN 3 LEU HA 3.70
&rst iat= 23, 25, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 3 LEU HN 3 LEU HB2 3.00
&rst iat= 23, 27, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 3 LEU HN 3 LEU HB3 5.00
&rst iat= 23, 28, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 3 LEU HN 3 LEU MD1 5.00
&rst iat= 23, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 32, 33, 34, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 3 LEU HN 3 LEU MD2 5.01
&rst iat= 23, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 36, 37, 38, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
## 3 LEU HA 4 ASP HN 3.00 3/25/96.
## &rst iat= 25, 42, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 3 LEU HB2 4 ASP HN 3.70
&rst iat= 27, 42, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 3 LEU HB3 4 ASP HN 5.00
&rst iat= 28, 42, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 3 LEU MD2 4 ASP HN 5.35
&rst iat= -1, 42, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 36, 37, 38, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 3 LEU HB3 110 GLY HN 5.80
&rst iat= 28,1652, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 4 ASP HN 4 ASP QPB 5.00
&rst iat= 42, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 46, 47, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 4 ASP HN 109 THR HA 5.00
&rst iat= 42,1640, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 5 THR HN 5 THR MG 5.17
&rst iat= 55, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 61, 62, 63, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 6 THR HN 6 THR HB 5.00
&rst iat= 69, 73, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 6 THR HN 6 THR MG 5.00
&rst iat= 69, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 75, 76, 77, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 6 THR HA 7 TRP HN 3.70
&rst iat= 71, 83, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 6 THR MG 7 TRP HN 4.00
&rst iat= -1, 83, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 75, 76, 77, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 7 TRP HN 7 TRP HB2 5.00
&rst iat= 83, 87, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 7 TRP HN 7 TRP HB3 5.00
&rst iat= 83, 88, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 7 TRP HN 7 TRP HD 5.00 (## loosened from 4A 2/9/96.)
&rst iat= 83, 91, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 7 TRP HB3 8 LYS HN 5.00
&rst iat= 88, 107, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 8 LYS HN 8 LYS HB2 3.70
&rst iat= 107, 111, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 8 LYS HN 8 LYS HB3 3.70
&rst iat= 107, 112, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 8 LYS HN 8 LYS QPG 5.00
&rst iat= 107, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 114, 115, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 8 LYS HA 9 GLU HN 5.00
&rst iat= 109, 129, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 8 LYS HB2 9 GLU HN 5.00
&rst iat= 111, 129, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 8 LYS HB3 9 GLU HN 3.70
&rst iat= 112, 129, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 8 LYS HN 122 TYR HN 5.00
&rst iat= 107,1825, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 9 GLU HN 9 GLU QPB 5.00
&rst iat= 129, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 133, 134, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 9 GLU HN 9 GLU QPG 5.00
&rst iat= 129, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 136, 137, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 9 GLU HA 10 ALA HN 3.70
&rst iat= 131, 145, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 9 GLU QPB 10 ALA HN 5.00
&rst iat= -1, 145, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 133, 134, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 9 GLU QPB 120 PHE HN 5.10
&rst iat= -1,1798, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 133, 134, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 10 ALA HN 121 GLY QPA 5.00
&rst iat= 145, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1820,1821, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 10 ALA HN 10 ALA MB 3.70
&rst iat= 145, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 149, 150, 151, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 10 ALA HA 11 THR HN 3.70
&rst iat= 147, 155, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 10 ALA MB 11 THR HN 3.70
&rst iat= -1, 155, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 149, 150, 151, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 10 ALA HN 119 LYS QPB 5.24
&rst iat= 145, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1780,1781, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 10 ALA HN 120 PHE HN 4.00
&rst iat= 145,1798, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 11 THR HA 12 LEU HN 3.70
&rst iat= 157, 169, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 11 THR HN 120 PHE HB2 3.70
&rst iat= 155,1802, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 11 THR HN 14 GLN HB3 5.00
&rst iat= 155, 207, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 11 THR HN 14 GLN HN 5.00
&rst iat= 155, 202, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 12 LEU HN 12 LEU HB2 3.70
&rst iat= 169, 173, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 12 LEU HN 12 LEU HB3 3.70
&rst iat= 169, 174, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 12 LEU HN 12 LEU QQD 5.00
&rst iat= 169, 175, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 12 LEU HN 13 PRO QPD 5.00
&rst iat= 169, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 189, 190, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 12 LEU HA 15 VAL HN 3.70
&rst iat= 171, 219, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 12 LEU HN 120 PHE HZ 5.25
&rst iat= 169,1810, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 13 PRO HA 14 GLN HN 5.00
&rst iat= 198, 202, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 13 PRO QPB 14 GLN HN 5.00
&rst iat= -1, 202, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 195, 196, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 12 LEU HB3 15 VAL HN 5.00
&rst iat= 174, 219, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 GLN HNE1 14 GLN QPG 5.89
&rst iat= 214, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 209, 210, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 14 GLN HN 14 GLN HB2 3.70
&rst iat= 202, 206, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 14 GLN HN 14 GLN HB3 5.00
&rst iat= 202, 207, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 14 GLN HA 15 VAL HN 5.00
&rst iat= 204, 219, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 14 GLN HB3 15 VAL HN 3.70 ## loosened.
&rst iat= 207, 219, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 14 GLN HN 15 VAL HN 4.00
&rst iat= 202, 219, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 14 GLN QPG 15 VAL HN 5.00
&rst iat= -1, 219, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 209, 210, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 14 GLN HN 17 ALA MB 5.00
&rst iat= 202, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 261, 262, 263, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 15 VAL HN 15 VAL HB 3.00
&rst iat= 219, 223, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 15 VAL HN 15 VAL MG1 5.00
&rst iat= 219, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 225, 226, 227, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 15 VAL HN 15 VAL MG2 4.00
&rst iat= 219, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 229, 230, 231, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 15 VAL HB 16 LYS HN 3.70
&rst iat= 223, 235, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 15 VAL HN 16 LYS HN 4.00
&rst iat= 219, 235, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 15 VAL MG1 16 LYS HN 5.00
&rst iat= -1, 235, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 225, 226, 227, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 15 VAL MG2 16 LYS HN 4.00
&rst iat= -1, 235, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 229, 230, 231, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 15 VAL HA 18 MET HN 5.00
&rst iat= 221, 267, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 16 LYS HN 16 LYS HB2 3.00
&rst iat= 235, 239, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 16 LYS HN 16 LYS QPG 5.00
&rst iat= 235, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 242, 243, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 16 LYS HA 17 ALA HN 5.00
&rst iat= 237, 257, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 16 LYS HB2 17 ALA HN 3.70
&rst iat= 239, 257, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 16 LYS HN 17 ALA HN 4.00
&rst iat= 235, 257, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 16 LYS QPG 17 ALA HN 5.00
&rst iat= -1, 257, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 242, 243, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 16 LYS HN 18 MET HN 5.00
&rst iat= 235, 267, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 17 ALA HN 17 ALA MB 3.00
&rst iat= 257, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 261, 262, 263, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 17 ALA HA 18 MET HN 5.00
&rst iat= 259, 267, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 17 ALA HN 18 MET HN 4.00
&rst iat= 257, 267, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 17 ALA MB 18 MET HN 3.70
&rst iat= -1, 267, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 261, 262, 263, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 17 ALA HA 19 LEU HN 5.00
&rst iat= 259, 286, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 MET HN 18 MET HB2 3.70
&rst iat= 267, 271, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 18 MET HN 18 MET HB3 3.70
&rst iat= 267, 272, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 18 MET HN 18 MET QPG 5.00
&rst iat= 267, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 274, 274, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 18 MET HB2 19 LEU HN 3.70
&rst iat= 271, 286, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 18 MET HB3 19 LEU HN 5.00
&rst iat= 272, 286, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 MET HN 19 LEU HN 4.00
&rst iat= 267, 286, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 18 MET QPG 19 LEU HN 5.13
&rst iat= -1, 286, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 274, 274, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 18 MET HA 21 LYS HN 5.00
&rst iat= 269, 321, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 19 LEU HN 19 LEU HB3 3.70
&rst iat= 286, 291, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 19 LEU HN 19 LEU HG 3.00
&rst iat= 286, 293, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 19 LEU HN 19 LEU QQD 4.00
&rst iat= 286, 292, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 19 LEU HA 20 GLU HN 5.78
&rst iat= 288, 305, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 19 LEU HB3 20 GLU HN 5.13
&rst iat= 291, 305, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 19 LEU HG 20 GLU HN 5.00
&rst iat= 293, 305, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 19 LEU HN 20 GLU HN 4.00
&rst iat= 286, 305, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 19 LEU HN 21 LYS HN 6.55
&rst iat= 286, 321, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05, &end
#
# 20 GLU HN 20 GLU HB2 3.70
&rst iat= 305, 309, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 20 GLU HN 20 GLU HB3 5.00
&rst iat= 305, 310, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 20 GLU HN 20 GLU QPG 5.00
&rst iat= 305, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 312, 313, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 20 GLU HB2 21 LYS HN 3.70
&rst iat= 309, 321, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 20 GLU HB3 21 LYS HN 5.00
&rst iat= 310, 321, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 20 GLU HN 21 LYS HN 4.00
&rst iat= 305, 321, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 20 GLU HN 22 ASP HN 5.00
&rst iat= 305, 343, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 21 LYS HN 21 LYS QPB 5.00
&rst iat= 321, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 325, 326, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 21 LYS HN 21 LYS QPG 5.00
&rst iat= 321, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 328, 329, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 21 LYS HA 22 ASP HN 5.00
&rst iat= 323, 343, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 21 LYS HN 22 ASP HN 4.00
&rst iat= 321, 343, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 21 LYS QPB 22 ASP HN 5.30
&rst iat= -1, 343, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 325, 326, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 22 ASP HN 22 ASP QPB 5.00
&rst iat= 343, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 347, 348, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 22 ASP HN 41 VAL MG2 5.00
&rst iat= 343, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 625, 626, 627, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 22 ASP QPB 41 VAL HN 5.17
&rst iat= -1, 615, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 347, 348, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 23 THR HN 23 THR MG 4.00
&rst iat= 356, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 362, 363, 364, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 23 THR HN 24 GLY HN 5.00
&rst iat= 356, 370, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 23 THR MG 39 HISP HN 5.00
&rst iat= -1, 581, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 362, 363, 364, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 24 GLY HA3 25 LYS HN 3.70
&rst iat= 373, 377, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 24 GLY HA2 25 LYS HN 3.70
&rst iat= 372, 377, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 24 GLY HN 25 LYS HN 5.00
&rst iat= 370, 377, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 24 GLY HN 31 VAL MG1 5.00
&rst iat= 370, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 466, 467, 468, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 24 GLY HA2 32 THR HN 3.70
&rst iat= 372, 476, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 24 GLY HN 33 TYR CZ 6.37
&rst iat= 370, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 500, 505, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 25 LYS HN 25 LYS QPB 5.00
&rst iat= 377, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 381, 382, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 25 LYS HN 25 LYS QPG 5.00
&rst iat= 377, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 384, 385, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 25 LYS HA 26 VAL HN 3.00
&rst iat= 379, 399, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 25 LYS HN 26 VAL HN 5.52
&rst iat= 377, 399, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 25 LYS QPB 26 VAL HN 5.00
&rst iat= -1, 399, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 381, 382, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 25 LYS HN 31 VAL MG1 4.00
&rst iat= 377, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 466, 467, 468, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 25 LYS HN 32 THR HN 4.00
&rst iat= 377, 476, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 25 LYS QPB 32 THR HN 5.22
&rst iat= -1, 476, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 381, 382, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 26 VAL HN 26 VAL HB 3.00
&rst iat= 399, 403, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 26 VAL HN 26 VAL MG2 4.00
&rst iat= 399, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 409, 410, 411, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 26 VAL HA 27 SER HN 3.00
&rst iat= 401, 415, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 26 VAL HB 27 SER HN 5.00
&rst iat= 403, 415, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 26 VAL HN 27 SER HN 5.00
&rst iat= 399, 415, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 26 VAL MG1 27 SER HN 4.00
&rst iat= -1, 415, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 405, 406, 407, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 26 VAL MG1 28 GLY HN 5.00
&rst iat= -1, 426, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 405, 406, 407, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 26 VAL HA 32 THR HN 5.00
&rst iat= 401, 476, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 27 SER HN 27 SER QPB 5.00
&rst iat= 415, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 419, 420, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 27 SER HA 28 GLY HN 3.70
&rst iat= 417, 426, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 27 SER HN 30 THR HN 5.00
&rst iat= 415, 446, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 27 SER HN 30 THR MG 5.00
&rst iat= 415, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 452, 453, 454, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 27 SER HN 31 VAL HA 3.70
&rst iat= 415, 462, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 28 GLY HA3 29 ASP HN 3.70
&rst iat= 429, 433, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 28 GLY HA2 29 ASP HN 3.70
&rst iat= 428, 433, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 29 ASP HN 29 ASP QPB 5.00
&rst iat= 433, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 437, 438, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 29 ASP HA 30 THR HN 5.00
&rst iat= 435, 446, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 29 ASP HN 30 THR HN 4.00
&rst iat= 433, 446, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 30 THR HN 30 THR HB 3.70
&rst iat= 446, 450, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 30 THR HN 30 THR MG 4.00
&rst iat= 446, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 452, 453, 454, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 30 THR HA 31 VAL HN 3.00
&rst iat= 448, 460, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 30 THR HB 31 VAL HN 5.00
&rst iat= 450, 460, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 30 THR MG 31 VAL HN 4.00
&rst iat= -1, 460, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 452, 453, 454, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 31 VAL HN 31 VAL HB 3.70
&rst iat= 460, 464, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 31 VAL HN 31 VAL MG2 4.00
&rst iat= 460, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 470, 471, 472, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 31 VAL HA 32 THR HN 3.00
&rst iat= 462, 476, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 31 VAL MG1 32 THR HN 4.00
&rst iat= -1, 476, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 466, 467, 468, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
## 31 VAL HB 59 LYS HN 3.70 3/25/96.
## &rst iat= 464, 879, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 VAL HN 62 PRO QPB 5.00
&rst iat= 460, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 944, 945, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 31 VAL HN 64 LEU HA 5.00
&rst iat= 460, 967, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 VAL HN 64 LEU QQD 5.00
&rst iat= 460, 971, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 32 THR HN 32 THR HB 3.70
&rst iat= 476, 480, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 32 THR HN 32 THR MG 4.00
&rst iat= 476, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 482, 483, 484, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 32 THR HA 33 TYR HN 3.70
&rst iat= 478, 490, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 32 THR HB 33 TYR HN 5.37
&rst iat= 480, 490, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 32 THR MG 33 TYR HN 4.00
&rst iat= -1, 490, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 482, 483, 484, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 32 THR HA 65 GLU HN 5.00
&rst iat= 478, 984, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 33 TYR HN 33 TYR CG 5.00
&rst iat= 490, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 498, 507, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 33 TYR HN 33 TYR QPB 5.00
&rst iat= 490, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 494, 495, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 33 TYR QPB 34 SER HN 5.00
&rst iat= -1, 511, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 494, 495, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 33 TYR HN 65 GLU HB2 5.00
&rst iat= 490, 988, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 34 SER HN 34 SER QPB 5.00
&rst iat= 511, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 515, 516, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 34 SER HN 38 VAL MG2 4.00
&rst iat= 511, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 575, 576, 577, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 35 GLY HA3 36 LYS HN 5.00
&rst iat= 525, 529, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 35 GLY HA2 36 LYS HN 5.00
&rst iat= 524, 529, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 35 GLY HN 36 LYS HN 5.00
&rst iat= 522, 529, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 35 GLY HN 67 PRO QPG 5.35
&rst iat= 522, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1023,1024, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 36 LYS HN 36 LYS HB2 3.70
&rst iat= 529, 533, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 36 LYS HN 36 LYS HB3 3.70
&rst iat= 529, 534, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 36 LYS HN 36 LYS QPG 5.00
&rst iat= 529, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 536, 537, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 36 LYS HA 37 THR HN 5.00
&rst iat= 531, 551, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 36 LYS HB2 37 THR HN 5.00
&rst iat= 533, 551, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 36 LYS HB3 37 THR HN 5.00
&rst iat= 534, 551, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 36 LYS HN 37 THR HN 4.00
&rst iat= 529, 551, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 37 THR HN 37 THR HB 5.00
&rst iat= 551, 555, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 37 THR HN 37 THR MG 5.00
&rst iat= 551, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 557, 558, 559, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 37 THR HA 38 VAL HN 3.70
&rst iat= 553, 565, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 37 THR HB 38 VAL HN 5.00
&rst iat= 555, 565, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 37 THR MG 38 VAL HN 4.00
&rst iat= -1, 565, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 557, 558, 559, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 37 THR HA 71 THR HN 5.00
&rst iat= 553,1060, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 38 VAL HN 38 VAL HB 3.70
&rst iat= 565, 569, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 38 VAL HN 38 VAL MG2 4.00
&rst iat= 565, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 575, 576, 577, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 38 VAL HA 39 HISP HN 3.70
&rst iat= 567, 581, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 38 VAL HN 72 VAL HA 5.00
&rst iat= 565,1076, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 39 HISP HN 39 HISP HB2 5.00
&rst iat= 581, 585, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 39 HISP HN 39 HISP HB3 5.00
&rst iat= 581, 586, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 39 HISP HA 40 VAL HN 3.70
&rst iat= 583, 599, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 39 HISP HD 40 VAL HN 4.00
&rst iat= 595, 599, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 39 HISP HA 73 ASP HN 3.70
&rst iat= 583,1090, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 40 VAL HN 40 VAL HB 3.70
&rst iat= 599, 603, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 40 VAL HN 40 VAL MG1 4.00
&rst iat= 599, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 605, 606, 607, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 40 VAL HN 40 VAL MG2 4.00
&rst iat= 599, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 609, 610, 611, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 40 VAL HA 41 VAL HN 3.70
&rst iat= 601, 615, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 40 VAL MG1 75 THR HN 5.00
&rst iat= -1,1119, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 605, 606, 607, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 41 VAL HN 41 VAL HB 5.00
&rst iat= 615, 619, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 41 VAL HN 41 VAL MG1 4.00
&rst iat= 615, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 621, 622, 623, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 41 VAL HN 41 VAL MG2 5.00
&rst iat= 615, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 625, 626, 627, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 41 VAL HA 42 ALA HN 3.70
&rst iat= 617, 631, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 41 VAL MG1 42 ALA HN 4.00
&rst iat= -1, 631, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 621, 622, 623, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 41 VAL HA 75 THR HN 3.70
&rst iat= 617,1119, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 42 ALA HN 42 ALA MB 3.70
&rst iat= 631, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 635, 636, 637, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 42 ALA HA 43 ALA HN 3.00
&rst iat= 633, 641, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 42 ALA MB 43 ALA HN 3.70
&rst iat= -1, 641, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 635, 636, 637, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 42 ALA HN 75 THR HB 5.00
&rst iat= 631,1123, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 42 ALA HN 76 PHE HA 5.31
&rst iat= 631,1135, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 43 ALA HN 43 ALA MB 3.70
&rst iat= 641, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 645, 646, 647, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 43 ALA HA 44 ALA HN 3.70
&rst iat= 643, 651, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 43 ALA MB 44 ALA HN 3.70 ##(loosened to 4.5A).
&rst iat= -1, 651, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 645, 646, 647, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 43 ALA HN 55 GLU HN 4.00
&rst iat= 641, 816, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 43 ALA HN 56 VAL MG2 4.00
&rst iat= 641, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 842, 843, 844, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 43 ALA HA 77 ILE HN 3.70
&rst iat= 643,1153, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 44 ALA HN 78 ASN HA 5.00 ## tightened to 4.5A 4/10/96.
&rst iat= 651,1174, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 44 ALA HN 79 THR HN 5.00
&rst iat= 651,1186, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 44 ALA MB 79 THR HN 5.00
&rst iat= -1,1186, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 655, 656, 657, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 45 VAL HN 45 VAL MG2 4.00
&rst iat= 661, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 671, 672, 673, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 45 VAL HA 46 LEU HN 3.70
&rst iat= 663, 677, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 45 VAL MG2 53 SER HN 4.00
&rst iat= -1, 785, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 671, 672, 673, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 45 VAL MG1 80 ASN HND1 5.13
&rst iat= -1,1209, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 667, 668, 669, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 45 VAL MG1 80 ASN HND2 5.10
&rst iat= -1,1210, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 667, 668, 669, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 46 LEU HN 46 LEU HB2 3.70
&rst iat= 677, 681, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 46 LEU HN 46 LEU HG 4.00
&rst iat= 677, 684, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 46 LEU HN 46 LEU QQD 4.00
&rst iat= 677, 683, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 47 PRO HA 48 GLY HN 3.70
&rst iat= 706, 710, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 47 PRO QPB 48 GLY HN 5.06
&rst iat= -1, 710, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 703, 704, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 48 GLY HN 49 PHE HN 4.00
&rst iat= 710, 717, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 49 PHE HN 49 PHE HB2 3.70
&rst iat= 717, 721, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 49 PHE HN 49 PHE CG 5.00
&rst iat= 717, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 725, 733, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 50 PRO HA 51 PHE HN 3.70
&rst iat= 747, 751, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 50 PRO QPB 51 PHE HN 5.00
&rst iat= -1, 751, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 744, 745, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 51 PHE HN 51 PHE QPB 5.00
&rst iat= 751, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 755, 756, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 52 CPRO HA 53 SER HN 5.00
&rst iat= 781, 785, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 53 SER HA 54 PHE HN 3.70
&rst iat= 787, 796, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 53 SER QPB 54 PHE HN 5.55
&rst iat= -1, 796, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 789, 790, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 54 PHE HN 54 PHE HB2 5.00
&rst iat= 796, 800, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 54 PHE HN 54 PHE CG 5.33
&rst iat= 796, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 804, 812, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 54 PHE HA 55 GLU HN 3.70
&rst iat= 798, 816, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 54 PHE HB3 55 GLU HN 5.00
&rst iat= 801, 816, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 55 GLU HN 55 GLU HB2 3.70
&rst iat= 816, 820, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 55 GLU HN 55 GLU HB3 5.00
&rst iat= 816, 821, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 55 GLU HA 56 VAL HN 3.70
&rst iat= 818, 832, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 55 GLU HB2 56 VAL HN 5.00
&rst iat= 820, 832, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 55 GLU HB3 56 VAL HN 5.00
&rst iat= 821, 832, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 55 GLU HB3 61 ASN HND1 5.28 ##loosened 3/25/96.
&rst iat= 821, 932, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.28, &end
#
# 56 VAL HN 56 VAL HB 3.70
&rst iat= 832, 836, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 56 VAL HN 56 VAL MG1 5.00
&rst iat= 832, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 838, 839, 840, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 56 VAL HN 56 VAL MG2 4.00
&rst iat= 832, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 842, 843, 844, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 56 VAL HA 57 HISP HN 3.70
&rst iat= 834, 848, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 56 VAL MG1 57 HISP HN 4.00
&rst iat= -1, 848, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 838, 839, 840, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 56 VAL MG2 57 HISP HN 6.41
&rst iat= -1, 848, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr1= 842, 843, 844, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 56 VAL HN 59 LYS HN 4.00
&rst iat= 832, 879, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 56 VAL HN 60 LYS HB2 5.00
&rst iat= 832, 905, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 57 HISP HN 57 HISP QPB 5.02
&rst iat= 848, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 852, 853, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
## 57 HISP HA 58 ASP HN 3.00 3/25/96.
## &rst iat= 850, 866, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 58 ASP HN 58 ASP QPB 5.82
&rst iat= 866, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 870, 871, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 58 ASP HA 59 LYS HN 5.00
&rst iat= 868, 879, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 58 ASP HN 59 LYS HN 4.00
&rst iat= 866, 879, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 59 LYS HN 59 LYS QPB 5.00
&rst iat= 879, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 883, 884, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 59 LYS HN 59 LYS QPG 5.39
&rst iat= 879, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 886, 887, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 59 LYS HA 60 LYS HN 3.70
&rst iat= 881, 901, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 59 LYS QPB 60 LYS HN 5.00
&rst iat= -1, 901, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 883, 884, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 60 LYS HN 60 LYS HB2 3.70
&rst iat= 901, 905, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 61 ASN HND1 61 ASN HB2 5.00
&rst iat= 932, 927, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 61 ASN HND2 61 ASN HB3 5.14
&rst iat= 933, 928, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 61 ASN HN 62 PRO QPD 5.28
&rst iat= 923, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 938, 939, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 63 THR HN 30 THR HA 3.70
&rst iat= 951, 448, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 63 THR HN 63 THR HB 3.70
&rst iat= 951, 955, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 63 THR HA 64 LEU HN 3.00
&rst iat= 953, 965, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 63 THR MG 64 LEU HN 4.00
&rst iat= -1, 965, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 957, 958, 959, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 63 THR HA 151 LYS HN 5.00
&rst iat= 953,2260, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 64 LEU HN 64 LEU HB3 3.70
&rst iat= 965, 970, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 64 LEU HA 65 GLU HN 3.00
&rst iat= 967, 984, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 64 LEU HB2 65 GLU HN 5.00
&rst iat= 969, 984, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 64 LEU HG 65 GLU HN 4.00
&rst iat= 972, 984, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 65 GLU HN 65 GLU HB2 3.70
&rst iat= 984, 988, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 65 GLU HN 65 GLU QPG 5.00
&rst iat= 984, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 991, 992, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 65 GLU HA 66 ILE HN 3.00
&rst iat= 986,1000, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 66 ILE HN 66 ILE HB 3.00
&rst iat=1000,1004, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 66 ILE MG 68 ALA HN 4.00
&rst iat= -1,1033, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1006,1007,1008, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 67 PRO QPB 68 ALA HN 5.08
&rst iat= -1,1033, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1026,1027, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 68 ALA HN 68 ALA HA 5.00
&rst iat=1033,1035, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 68 ALA HN 68 ALA MB 3.00
&rst iat=1033, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1037,1038,1039, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 68 ALA MB 69 GLY HN 3.70
&rst iat= -1,1043, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1=1037,1038,1039, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 68 ALA HN 154 VAL HA 5.59
&rst iat=1033,2319, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end
#
# 68 ALA MB 155 LYS HN 5.34
&rst iat= -1,2333, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1037,1038,1039, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 69 GLY HA3 70 ALA HN 5.00
&rst iat=1046,1050, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 69 GLY HA2 70 ALA HN 5.00
&rst iat=1045,1050, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 69 GLY HN 70 ALA HN 4.00
&rst iat=1043,1050, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 69 GLY HN 154 VAL MG1 5.07
&rst iat=1043, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2323,2324,2325, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 70 ALA HN 70 ALA MB 3.00
&rst iat=1050, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1054,1055,1056, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 70 ALA HA 71 THR HN 3.00
&rst iat=1052,1060, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 70 ALA MB 71 THR HN 3.70
&rst iat= -1,1060, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1=1054,1055,1056, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 70 ALA HN 129 PRO QPG 5.00
&rst iat=1050, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1953,1954, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 71 THR HN 71 THR HB 3.70
&rst iat=1060,1064, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 71 THR HA 72 VAL HN 3.00
&rst iat=1062,1074, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 71 THR HB 72 VAL HN 5.00
&rst iat=1064,1074, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 71 THR MG 72 VAL HN 4.00
&rst iat= -1,1074, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1066,1067,1068, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 72 VAL HN 72 VAL HB 3.70
&rst iat=1074,1078, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 72 VAL HN 72 VAL MG1 4.00
&rst iat=1074, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1080,1081,1082, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 72 VAL HN 72 VAL MG2 4.00
&rst iat=1074, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1084,1085,1086, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 72 VAL HA 73 ASP HN 3.00
&rst iat=1076,1090, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 72 VAL MG1 73 ASP HN 4.00
&rst iat= -1,1090, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1080,1081,1082, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 72 VAL HN 127 TRP HN 5.00
&rst iat=1074,1907, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 72 VAL HN 128 HISP HA 5.00
&rst iat=1074,1933, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 73 ASP HN 73 ASP HB3 3.70
&rst iat=1090,1095, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 73 ASP HA 74 VAL HN 3.70
&rst iat=1092,1103, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 74 VAL HN 74 VAL HB 3.70
&rst iat=1103,1107, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 74 VAL HN 74 VAL MG2 4.00
&rst iat=1103, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1113,1114,1115, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 74 VAL HA 75 THR HN 3.70
&rst iat=1105,1119, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 74 VAL MG1 75 THR HN 4.00
&rst iat= -1,1119, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1109,1110,1111, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 74 VAL MG2 75 THR HN 5.00
&rst iat= -1,1119, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1113,1114,1115, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 74 VAL HN 73 ASP HB3 5.00
&rst iat=1103,1095, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 74 VAL HB 125 PHE HN 5.00
&rst iat=1107,1873, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 74 VAL HN 126 THR HA 5.00
&rst iat=1103,1895, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 75 THR HN 75 THR HB 3.70
&rst iat=1119,1123, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 75 THR HA 76 PHE HN 3.70
&rst iat=1121,1133, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 75 THR MG 76 PHE HN 4.00
&rst iat= -1,1133, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1125,1126,1127, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 75 THR HA 125 PHE HN 5.00
&rst iat=1121,1873, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 76 PHE HN 76 PHE HB2 5.00
&rst iat=1133,1137, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 76 PHE HN 76 PHE HB3 5.00
&rst iat=1133,1138, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 76 PHE HA 77 ILE HN 3.70
&rst iat=1135,1153, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 76 PHE HN 124 ASP HA 5.39
&rst iat=1133,1862, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 77 ILE HN 77 ILE MD 4.00
&rst iat=1153, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1166,1167,1168, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 77 ILE HN 77 ILE QPG 4.00
&rst iat=1153, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1163,1164, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 77 ILE HA 78 ASN HN 5.00
&rst iat=1155,1172, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 77 ILE HB 78 ASN HN 5.00
&rst iat=1157,1172, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 77 ILE MG 78 ASN HN 4.00
&rst iat= -1,1172, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1159,1160,1161, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 87 PHE HB2 109 THR HN 5.00
&rst iat=1303,1638, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 78 ASN HND2 78 ASN HB3 5.23
&rst iat=1182,1177, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 78 ASN HN 78 ASN HB2 5.00
&rst iat=1172,1176, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 78 ASN HN 78 ASN HB3 3.70
&rst iat=1172,1177, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 78 ASN HA 79 THR HN 3.70
&rst iat=1174,1186, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 78 ASN HND1 84 GLY HA3 5.00
&rst iat=1181,1266, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 78 ASN HND2 84 GLY HA3 5.05
&rst iat=1182,1266, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 78 ASN HND1 85 HISP HN 5.08
&rst iat=1181,1270, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 78 ASN HN 122 TYR HA 5.35
&rst iat=1172,1827, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 79 THR HN 79 THR MG 5.00
&rst iat=1186, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1192,1193,1194, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 79 THR HN 80 ASN HN 4.00
&rst iat=1186,1200, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 80 ASN HND1 80 ASN HA 5.00
&rst iat=1209,1202, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 80 ASN HND2 80 ASN HA 5.00
&rst iat=1210,1202, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 80 ASN HN 80 ASN HB2 3.70
&rst iat=1200,1204, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 80 ASN HN 80 ASN HB3 3.70
&rst iat=1200,1205, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 80 ASN HA 81 LYS HN 3.70
&rst iat=1202,1214, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 80 ASN HND1 81 LYS HN 5.00
&rst iat=1209,1214, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 80 ASN HND2 81 LYS HN 6.01
&rst iat=1210,1214, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, &end
#
# 81 LYS HN 81 LYS QPB 5.00
&rst iat=1214, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1218,1219, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 81 LYS HA 82 GLY HN 3.70
&rst iat=1216,1236, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 81 LYS QPB 82 GLY HN 5.00
&rst iat= -1,1236, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1=1218,1219, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 82 GLY HA3 83 PHE HN 5.00
&rst iat=1239,1243, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 82 GLY HN 83 PHE HN 5.00
&rst iat=1236,1243, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 83 PHE HN 83 PHE HB2 5.00
&rst iat=1243,1247, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 83 PHE HN 83 PHE HB3 5.00
&rst iat=1243,1248, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 83 PHE HA 84 GLY HN 5.00
&rst iat=1245,1263, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 83 PHE HB3 84 GLY HN 5.00
&rst iat=1248,1263, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 84 GLY HA3 85 HISP HN 5.00
&rst iat=1266,1270, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 84 GLY HA2 85 HISP HN 5.00
&rst iat=1265,1270, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 84 GLY HN 114 VAL MG2 4.00
&rst iat=1263, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1714,1715,1716, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 85 HISP HN 85 HISP HB2 5.00
&rst iat=1270,1274, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 85 HISP HN 85 HISP HB3 3.70
&rst iat=1270,1275, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 85 HISP HN 85 HISP HD 4.00
&rst iat=1270,1284, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 85 HISP HA 86 SER HN 5.00
&rst iat=1272,1288, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 85 HISP HB2 86 SER HN 5.00
&rst iat=1274,1288, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 85 HISP HN 85 HISP HE 5.00
&rst iat=1270,1280, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 85 HISP HN 140 ILE MD 4.00
&rst iat=1270, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2129,2130,2131, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 86 SER HA 87 PHE HN 5.00
&rst iat=1290,1299, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 86 SER HB2 87 PHE HN 5.00
&rst iat=1292,1299, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 86 SER HB3 87 PHE HN 5.00
&rst iat=1293,1299, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 87 PHE HN 87 PHE HB2 5.00
&rst iat=1299,1303, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 87 PHE HN 87 PHE HB3 5.00
&rst iat=1299,1304, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 87 PHE HA 88 ASP HN 3.70
&rst iat=1301,1319, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 87 PHE HN 109 THR OG1 4.00
&rst iat=1299,1648, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 87 PHE HN 109 THR HN 5.93
&rst iat=1299,1638, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, &end
#
# 87 PHE HN 109 THR MG 4.00
&rst iat=1299, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1644,1645,1646, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 88 ASP HN 88 ASP HB2 3.70
&rst iat=1319,1323, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 88 ASP HN 88 ASP HB3 3.70
&rst iat=1319,1324, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 88 ASP HA 89 ILE HN 3.70
&rst iat=1321,1332, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 88 ASP HB3 89 ILE HN 3.70
&rst iat=1324,1332, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 88 ASP HA 109 THR HN 5.33
&rst iat=1321,1638, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 88 ASP HN 137 VAL HN 4.00
&rst iat=1319,2071, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 88 ASP HN 137 VAL MG2 5.10
&rst iat=1319, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2081,2082,2083, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 89 ILE HN 89 ILE HB 3.70
&rst iat=1332,1336, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 89 ILE HN 89 ILE MG 4.00
&rst iat=1332, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1338,1339,1340, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 89 ILE HA 90 THR HN 3.70
&rst iat=1334,1351, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 89 ILE MG 90 THR HN 4.00
&rst iat= -1,1351, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1338,1339,1340, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 89 ILE HN 107 ALA HN 4.00
&rst iat=1332,1621, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 89 ILE MG 135 TYR HN 5.00
&rst iat= -1,2029, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1338,1339,1340, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 90 THR HN 90 THR HB 5.00
&rst iat=1351,1355, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 90 THR HN 90 THR MG 4.00
&rst iat=1351, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1357,1358,1359, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 90 THR HA 91 LYS HN 3.70
&rst iat=1353,1365, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 90 THR HB 91 LYS HN 5.00
&rst iat=1355,1365, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 90 THR HN 136 TYR HA 5.00
&rst iat=1351,2052, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 90 THR HN 137 VAL MG2 6.15
&rst iat=1351, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2081,2082,2083, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 91 LYS HN 91 LYS HB3 3.00
&rst iat=1365,1370, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 91 LYS HN 91 LYS QPG 5.00
&rst iat=1365, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1372,1373, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 91 LYS HN 92 LYS HN 4.00
&rst iat=1365,1387, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
## 91 LYS QPG 93 GLY HN 5.14 3/25/96.
## &rst iat= -1,1409, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
## igr1=1372,1373, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
## igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 92 LYS HN 91 LYS HB2 5.00
&rst iat=1387,1369, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 92 LYS HN 92 LYS QPG 5.00
&rst iat=1387, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1394,1395, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
## 92 LYS HA 93 GLY HN 3.00 3/25/96.
## &rst iat=1389,1409, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 92 LYS QPB 93 GLY HN 5.00
&rst iat= -1,1409, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1=1391,1392, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 93 GLY HN 93 GLY HA2 3.70
&rst iat=1409,1411, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 94 PRO HA 96 TYR HN 3.70
&rst iat=1426,1444, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 95 CPRO HA 96 TYR HN 3.70
&rst iat=1440,1444, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 95 CPRO QPB 96 TYR HN 5.00
&rst iat= -1,1444, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1=1437,1438, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 96 TYR HN 96 TYR HB2 3.00
&rst iat=1444,1448, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 96 TYR HN 96 TYR HB3 5.00
&rst iat=1444,1449, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 96 TYR HN 96 TYR CG 5.00
&rst iat=1444, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1452,1461, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 96 TYR HA 97 ALA HN 3.00
&rst iat=1446,1465, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 96 TYR HB2 97 ALA HN 3.70
&rst iat=1448,1465, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 96 TYR HB3 97 ALA HN 5.00
&rst iat=1449,1465, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 96 TYR CG 97 ALA HN 6.20
&rst iat= -1,1465, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1=1452,1461, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 96 TYR HN 97 ALA HN 5.00
&rst iat=1444,1465, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 97 ALA HN 97 ALA MB 3.00
&rst iat=1465, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1469,1470,1471, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 97 ALA HA 98 VAL HN 3.70
&rst iat=1467,1475, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 97 ALA MB 98 VAL HN 3.70
&rst iat= -1,1475, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1=1469,1470,1471, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 97 ALA MB 99 MET HN 3.70
&rst iat= -1,1491, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1=1469,1470,1471, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 98 VAL HN 98 VAL HB 3.00
&rst iat=1475,1479, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 98 VAL HN 98 VAL MG2 5.00
&rst iat=1475, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1485,1486,1487, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 98 VAL HN 99 MET HN 4.00
&rst iat=1475,1491, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 98 VAL MG2 99 MET HN 5.00
&rst iat= -1,1491, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1485,1486,1487, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 98 VAL HN 145 ALA MB 5.23
&rst iat=1475, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2187,2188,2189, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 99 MET HN 99 MET QPB 5.00
&rst iat=1491, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1495,1496, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 99 MET HN 99 MET ME 5.00
&rst iat=1491, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1504,1505,1506, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 99 MET HN 99 MET QPG 5.00
&rst iat=1491, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1498,1498, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 100 PRO HA 101 VAL HN 3.00
&rst iat=1520,1524, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 101 VAL HN 101 VAL HB 3.00
&rst iat=1524,1528, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 101 VAL HN 101 VAL MG1 4.00
&rst iat=1524, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1530,1531,1532, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 101 VAL HN 101 VAL MG2 4.00
&rst iat=1524, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1534,1535,1536, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 101 VAL HA 102 ILE HN 3.70
&rst iat=1526,1540, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 101 VAL HN 102 ILE HN 5.00
&rst iat=1524,1540, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 101 VAL HA 103 ASP HN 5.00
&rst iat=1526,1559, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 102 ILE HN 102 ILE QPG 4.00
&rst iat=1540, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1550,1551, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 102 ILE HB 103 ASP HN 3.70
&rst iat=1544,1559, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 102 ILE HN 103 ASP HN 4.00
&rst iat=1540,1559, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 102 ILE QPG 103 ASP HN 5.00
&rst iat= -1,1559, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1=1550,1551, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 103 ASP HN 103 ASP HB2 3.70
&rst iat=1559,1563, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 103 ASP HN 103 ASP HB3 3.70
&rst iat=1559,1564, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 104 PRO HA 105 ILE HN 3.70
&rst iat=1582,1586, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 104 PRO QPB 105 ILE HN 5.21
&rst iat= -1,1586, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1579,1580, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 104 PRO QPB 105 ILE HN 5.00
&rst iat= -1,1586, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1=1579,1580, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
## 105 ILE HN 105 ILE HB 3.00 3/25/96.
## &rst iat=1586,1590, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 105 ILE HN 105 ILE QPG 5.00
&rst iat=1586, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1596,1597, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 105 ILE HN 105 ILE MG 4.00
&rst iat=1586, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1592,1593,1594, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 105 ILE HA 106 VAL HN 3.00
&rst iat=1588,1605, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 105 ILE HB 106 VAL HN 5.00
&rst iat=1590,1605, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 105 ILE MG 106 VAL HN 4.00
&rst iat= -1,1605, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1592,1593,1594, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 106 VAL HN 106 VAL HB 3.70
&rst iat=1605,1609, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 106 VAL HN 106 VAL MG1 4.00
&rst iat=1605, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1611,1612,1613, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 106 VAL HA 107 ALA HN 5.00
&rst iat=1607,1621, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 106 VAL HB 107 ALA HN 3.70
&rst iat=1609,1621, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 106 VAL HN 107 ALA HN 4.00
&rst iat=1605,1621, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 106 VAL MG1 107 ALA HN 4.00
&rst iat= -1,1621, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1611,1612,1613, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 107 ALA HN 107 ALA MB 3.70
&rst iat=1621, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1625,1626,1627, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 107 ALA HA 108 GLY HN 3.70
&rst iat=1623,1631, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 107 ALA HN 108 GLY HN 5.00
&rst iat=1621,1631, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 107 ALA MB 108 GLY HN 3.70
&rst iat= -1,1631, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1=1625,1626,1627, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
## 107 ALA HN 105 ILE MD 4.00 3/25/96.
## &rst iat=1621, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
## igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
## igr2=1599,1600,1601, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 108 GLY HA2 109 THR HN 5.00
&rst iat=1633,1638, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 109 THR HN 109 THR MG 4.00
&rst iat=1638, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1644,1645,1646, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 109 THR HA 110 GLY HN 5.00
&rst iat=1640,1652, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 110 GLY HA3 111 PHE HN 5.00
&rst iat=1655,1659, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 110 GLY HA2 111 PHE HN 5.00
&rst iat=1654,1659, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 111 PHE HN 111 PHE HB2 3.70
&rst iat=1659,1663, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 111 PHE HN 111 PHE HB3 5.00
&rst iat=1659,1664, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 111 PHE HA 112 SER HN 3.70
&rst iat=1661,1679, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 111 PHE HB3 112 SER HN 5.00
&rst iat=1664,1679, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 112 SER HN 112 SER HB3 5.00
&rst iat=1679,1684, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 112 SER HN 112 SER OG 5.00
&rst iat=1679,1686, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 113 PRO HA 114 VAL HN 3.70
&rst iat=1700,1704, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 113 PRO QPB 114 VAL HN 5.00
&rst iat= -1,1704, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1=1697,1698, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 114 VAL HN 114 VAL MG2 3.00
&rst iat=1704, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1714,1715,1716, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 115 PRO HA 116 LYS HN 3.70
&rst iat=1730,1734, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 116 LYS HN 116 LYS HB2 3.70
&rst iat=1734,1738, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 116 LYS HN 116 LYS HB3 5.00
&rst iat=1734,1739, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 116 LYS HA 117 ASP HN 3.00
&rst iat=1736,1756, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 116 LYS HB2 117 ASP HN 3.70
&rst iat=1738,1756, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 116 LYS HB3 117 ASP HN 5.00
&rst iat=1739,1756, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 116 LYS HN 117 ASP HN 5.33
&rst iat=1734,1756, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 116 LYS HN 119 LYS HN 5.00
&rst iat=1734,1776, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 117 ASP HN 117 ASP QPB 5.24
&rst iat=1756, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1760,1761, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 117 ASP HA 118 GLY HN 5.00
&rst iat=1758,1769, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 117 ASP HN 118 GLY HN 5.00
&rst iat=1756,1769, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 118 GLY HN 119 LYS HN 5.00
&rst iat=1769,1776, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 119 LYS HN 119 LYS HB2 3.70
&rst iat=1776,1780, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 119 LYS HN 119 LYS HB3 5.00
&rst iat=1776,1781, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 119 LYS HN 119 LYS QPG 5.90
&rst iat=1776, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1783,1784, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 119 LYS HA 120 PHE HN 5.00
&rst iat=1778,1798, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 119 LYS HB2 120 PHE HN 5.00
&rst iat=1780,1798, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 119 LYS HB3 120 PHE HN 3.70
&rst iat=1781,1798, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 119 LYS QPG 120 PHE HN 5.00
&rst iat= -1,1798, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1=1783,1784, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 120 PHE HN 120 PHE HB2 5.00
&rst iat=1798,1802, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 120 PHE HN 120 PHE HB3 5.00
&rst iat=1798,1803, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 120 PHE HN 120 PHE CG 5.11
&rst iat=1798, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1806,1814, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 122 TYR HA 123 THR HN 3.70
&rst iat=1827,1846, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 123 THR HN 123 THR MG 4.00
&rst iat=1846, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1852,1853,1854, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 123 THR HA 124 ASP HN 3.70
&rst iat=1848,1860, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 124 ASP HN 124 ASP HB2 3.70
&rst iat=1860,1864, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 124 ASP HN 124 ASP HB3 5.00
&rst iat=1860,1865, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 124 ASP HA 125 PHE HN 3.70
&rst iat=1862,1873, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 124 ASP HB3 125 PHE HN 5.00
&rst iat=1865,1873, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 125 PHE HN 125 PHE CG 5.00
&rst iat=1873, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1881,1889, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 125 PHE HA 126 THR HN 3.70
&rst iat=1875,1893, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 125 PHE HB3 126 THR HN 3.70
&rst iat=1878,1893, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 126 THR HN 126 THR HB 3.70
&rst iat=1893,1897, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 126 THR HN 126 THR MG 5.00
&rst iat=1893, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1899,1900,1901, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 126 THR HA 127 TRP HN 3.00
&rst iat=1895,1907, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 126 THR HB 127 TRP HN 5.00
&rst iat=1897,1907, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 126 THR MG 127 TRP HN 4.00
&rst iat= -1,1907, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1899,1900,1901, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 127 TRP HN 127 TRP HB2 5.00
&rst iat=1907,1911, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 127 TRP HN 127 TRP HB3 3.70
&rst iat=1907,1912, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 127 TRP HA 128 HISP HN 3.00
&rst iat=1909,1931, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 127 TRP HE 129 PRO HA 5.00
&rst iat=1926,1959, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 127 TRP HE 89 ILE HB 5.00
&rst iat=1926,1336, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 128 HISP HN 128 HISP QPB 5.00
&rst iat=1931, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1935,1936, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 129 PRO HA 130 THR HN 3.70
&rst iat=1959,1963, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 129 PRO QPB 130 THR HN 5.39
&rst iat= -1,1963, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1=1956,1957, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 129 PRO QPG 130 THR HN 5.00
&rst iat= -1,1963, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1=1953,1954, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 130 THR HN 130 THR MG 4.00
&rst iat=1963, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1969,1970,1971, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 130 THR HA 131 ALA HN 3.00
&rst iat=1965,1977, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 130 THR MG 131 ALA HN 4.00
&rst iat= -1,1977, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1969,1970,1971, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 155 LYS HA 132 GLY HN 5.00
&rst iat=2335,1987, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 131 ALA HN 131 ALA HA 5.00
&rst iat=1977,1979, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 131 ALA HN 131 ALA MB 3.00
&rst iat=1977, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1981,1982,1983, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 131 ALA HA 132 GLY HN 3.00
&rst iat=1979,1987, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 131 ALA MB 132 GLY HN 3.70
&rst iat= -1,1987, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1=1981,1982,1983, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 131 ALA HN 154 VAL MG1 5.04
&rst iat=1977, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2323,2324,2325, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 132 GLY HA3 133 THR HN 3.70
&rst iat=1990,1994, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 132 GLY HA2 133 THR HN 3.70
&rst iat=1989,1994, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 132 GLY HA2 154 VAL HN 5.69
&rst iat=1989,2317, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end
#
# 132 GLY HN 154 VAL HB 3.70
&rst iat=1987,2321, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 132 GLY HN 154 VAL MG1 5.00
&rst iat=1987, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2323,2324,2325, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 132 GLY HN 154 VAL MG2 5.78
&rst iat=1987, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2327,2328,2329, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 133 THR HN 133 THR MG 5.00
&rst iat=1994, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2000,2001,2002, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 133 THR HA 134 TYR HN 3.70
&rst iat=1996,2008, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 133 THR MG 134 TYR HN 4.00
&rst iat= -1,2008, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=2000,2001,2002, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 133 THR HA 154 VAL HN 5.05
&rst iat=1996,2317, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 134 TYR HN 134 TYR HB2 5.00
&rst iat=2008,2012, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 134 TYR HN 134 TYR CG 5.00
&rst iat=2008, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2016,2025, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 134 TYR HA 135 TYR HN 5.00
&rst iat=2010,2029, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 134 TYR HB2 135 TYR HN 5.00
&rst iat=2012,2029, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 134 TYR HB3 135 TYR HN 3.70
&rst iat=2013,2029, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 134 TYR HN 152 ILE HB 5.00
&rst iat=2008,2286, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 134 TYR HN 152 ILE HN 5.99
&rst iat=2008,2282, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, &end
#
# 135 TYR HN 135 TYR HB2 5.00
&rst iat=2029,2033, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 135 TYR HA 136 TYR HN 3.70
&rst iat=2031,2050, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 135 TYR HB2 136 TYR HN 5.16
&rst iat=2033,2050, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 135 TYR HB3 136 TYR HN 5.00
&rst iat=2034,2050, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 136 TYR HN 136 TYR HB3 5.00
&rst iat=2050,2055, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 136 TYR HA 137 VAL HN 3.70
&rst iat=2052,2071, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 136 TYR HB2 137 VAL HN 5.00
&rst iat=2054,2071, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 136 TYR HN 150 GLY HN 4.00
&rst iat=2050,2253, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 137 VAL HN 137 VAL HB 5.00
&rst iat=2071,2075, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 137 VAL HN 137 VAL MG2 4.00
&rst iat=2071, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2081,2082,2083, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 137 VAL HA 138 CYS HN 3.70
&rst iat=2073,2087, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 137 VAL HB 138 CYS HN 3.70
&rst iat=2075,2087, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 137 VAL MG2 138 CYS HN 4.00
&rst iat= -1,2087, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=2081,2082,2083, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 138 CYS HN 138 CYS HB2 3.70
&rst iat=2087,2091, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 138 CYS HN 138 CYS HB3 5.00
&rst iat=2087,2092, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 138 CYS HA 139 GLN HN 3.70
&rst iat=2089,2099, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 139 GLN HNE1 139 GLN HB3 6.97
&rst iat=2111,2104, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47, &end
#
# 139 GLN HNE2 139 GLN HB3 5.84
&rst iat=2112,2104, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end
#
# 139 GLN HN 139 GLN HB2 3.70
&rst iat=2099,2103, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 139 GLN HN 139 GLN HB3 3.70
&rst iat=2099,2104, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 139 GLN HB2 140 ILE HN 5.00
&rst iat=2103,2116, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 139 GLN HNE1 105 ILE MD 5.16
&rst iat=2111, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1599,1600,1601, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 139 GLN HN 140 ILE HN 4.00
&rst iat=2099,2116, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 140 ILE HN 140 ILE QPG 4.00
&rst iat=2116, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2126,2127, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 140 ILE HN 140 ILE MG 5.00
&rst iat=2116, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2122,2123,2124, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 143 HISP HN 143 HISP HB2 3.70
&rst iat=2156,2160, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 143 HISP HN 143 HISP HB3 5.00
&rst iat=2156,2161, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 143 HISP HN 143 HISP HD 4.00
&rst iat=2156,2169, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 143 HISP HB2 144 ALA HN 5.13
&rst iat=2160,2173, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 143 HISP HN 144 ALA HN 5.00
&rst iat=2156,2173, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 144 ALA HN 144 ALA MB 3.70
&rst iat=2173, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2177,2178,2179, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 144 ALA HN 145 ALA HN 4.00
&rst iat=2173,2183, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 145 ALA HN 145 ALA MB 3.00
&rst iat=2183, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2187,2188,2189, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 145 ALA HN 146 THR HN 4.00
&rst iat=2183,2193, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 146 THR HN 146 THR HB 5.00
&rst iat=2193,2197, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 146 THR HN 146 THR MG 4.00
&rst iat=2193, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2199,2200,2201, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 146 THR HN 147 GLY HN 4.00
&rst iat=2193,2207, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 146 THR HN 148 MET HN 5.00
&rst iat=2193,2214, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 147 GLY HN 148 MET HN 4.00
&rst iat=2207,2214, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 148 MET HN 148 MET HB3 3.70
&rst iat=2214,2219, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 148 MET HA 149 PHE HN 3.70
&rst iat=2216,2233, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 149 PHE HN 149 PHE HB3 5.00
&rst iat=2233,2238, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 149 PHE HN 149 PHE CG 5.00
&rst iat=2233, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2241,2249, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 149 PHE HA 150 GLY HN 5.00
&rst iat=2235,2253, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 149 PHE HB3 150 GLY HN 5.00
&rst iat=2238,2253, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 149 PHE CG 150 GLY HN 6.36
&rst iat= -1,2253, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
igr1=2241,2249, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 150 GLY HA3 151 LYS HN 3.70
&rst iat=2256,2260, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 150 GLY HA2 151 LYS HN 3.70
&rst iat=2255,2260, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 151 LYS HN 151 LYS HB2 3.70
&rst iat=2260,2264, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 151 LYS HN 151 LYS HB3 3.70
&rst iat=2260,2265, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 151 LYS HN 151 LYS QPG 5.00
&rst iat=2260, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2267,2268, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 151 LYS QPG 152 ILE HN 5.00
&rst iat= -1,2282, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1=2267,2268, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 152 ILE HN 152 ILE MG 4.00
&rst iat=2282, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2288,2289,2290, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 152 ILE HA 153 VAL HN 3.70
&rst iat=2284,2301, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 153 VAL HN 153 VAL HB 3.70
&rst iat=2301,2305, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 153 VAL HN 153 VAL MG2 4.00
&rst iat=2301, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2311,2312,2313, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 153 VAL HA 154 VAL HN 5.00
&rst iat=2303,2317, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 153 VAL MG2 154 VAL HN 4.50 (## loosened from 4A 2/9/96.)
&rst iat= -1,2317, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=2311,2312,2313, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 154 VAL HN 154 VAL HB 3.70
&rst iat=2317,2321, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 154 VAL HN 154 VAL MG1 7.61
&rst iat=2317, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2323,2324,2325, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 154 VAL HN 154 VAL MG2 4.00
&rst iat=2317, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2327,2328,2329, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 154 VAL HA 155 LYS HN 3.00
&rst iat=2319,2333, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 154 VAL HN 155 LYS HN 5.54
&rst iat=2317,2333, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 155 LYS HN 155 LYS QPB 5.00
&rst iat=2333, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2337,2338, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 155 LYS HN 155 LYS QPG 5.00
&rst iat=2333, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2340,2341, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 2 THR HA 2 THR MG 5.50
&rst iat= 11, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 15, 16, 17, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 2 THR HB 2 THR HA 3.50
&rst iat= 13, 11, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 2 THR HB 2 THR MG 4.50
&rst iat= 13, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 15, 16, 17, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 2 THR HB 5 THR MG 5.50
&rst iat= 13, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 61, 62, 63, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 3 LEU HA 3 LEU HB3 3.50
&rst iat= 25, 28, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 3 LEU HA 3 LEU MD1 5.50
&rst iat= 25, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 32, 33, 34, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 3 LEU HA 3 LEU MD2 5.50
&rst iat= 25, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 36, 37, 38, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 3 LEU HB2 3 LEU HA 4.50
&rst iat= 27, 25, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 LEU HG 3 LEU HB3 3.50
&rst iat= 30, 28, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 3 LEU HG 3 LEU MD2 5.50
&rst iat= 30, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 36, 37, 38, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 3 LEU MD1 3 LEU HB2 4.50
&rst iat= -1, 27, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 32, 33, 34, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 3 LEU MD1 3 LEU HB3 5.50
&rst iat= -1, 28, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 32, 33, 34, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 3 LEU MD2 3 LEU HB2 5.50
&rst iat= -1, 27, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 36, 37, 38, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 3 LEU MD2 3 LEU HB3 5.50
&rst iat= -1, 28, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 36, 37, 38, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 3 LEU HG 107 ALA HA 5.50
&rst iat= 30,1623, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 3 LEU MD1 107 ALA HA 5.82
&rst iat= -1,1623, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 32, 33, 34, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 3 LEU HB3 109 THR HA 4.50
&rst iat= 28,1640, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 LEU MD1 109 THR HA 5.63
&rst iat= -1,1640, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 32, 33, 34, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 3 LEU HB2 110 GLY HA3 4.50
&rst iat= 27,1655, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 LEU HB3 110 GLY HA3 3.50
&rst iat= 28,1655, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 3 LEU MD1 110 GLY HA3 5.59
&rst iat= -1,1655, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 32, 33, 34, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 4 ASP HA 4 ASP QPB 5.50
&rst iat= 44, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 46, 47, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 4 ASP HA 109 THR HA 4.50
&rst iat= 44,1640, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 ASP HA 109 THR MG 5.50
&rst iat= 44, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1644,1645,1646, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 4 ASP QPB 109 THR HA 5.50
&rst iat= -1,1640, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 46, 47, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 5 THR HA 5 THR MG 5.50
&rst iat= 57, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 61, 62, 63, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 5 THR HB 5 THR MG 5.50
&rst iat= 59, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 61, 62, 63, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 6 THR HA 6 THR MG 5.50
&rst iat= 71, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 75, 76, 77, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 6 THR HB 6 THR HA 3.50
&rst iat= 73, 71, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 6 THR HB 6 THR MG 4.50
&rst iat= 73, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 75, 76, 77, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 6 THR MG 124 ASP HB2 4.50
&rst iat= -1,1864, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 75, 76, 77, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 6 THR MG 124 ASP HB3 5.50
&rst iat= -1,1865, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 75, 76, 77, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 6 THR HB 125 PHE HA 3.50
&rst iat= 73,1875, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 6 THR MG 125 PHE HB3 5.50
&rst iat= -1,1878, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 75, 76, 77, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 7 TRP HA 7 TRP HB3 4.50
&rst iat= 85, 88, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 TRP HA 7 TRP HE 5.50
&rst iat= 85, 102, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
## 7 TRP HD 109 THR HB 4.50 3/25/96.
## &rst iat= 91,1642, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 TRP HZ2 109 THR MG 5.50
&rst iat= 96, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1644,1645,1646, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 7 TRP HB2 113 PRO QPD 4.50
&rst iat= 87, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1691,1692, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 7 TRP HA 123 THR HA 4.50
&rst iat= 85,1848, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 TRP HA 123 THR HB 4.50
&rst iat= 85,1850, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 TRP HA 123 THR MG 5.68
&rst iat= 85, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1852,1853,1854, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
## 7 TRP HE 123 THR MG 5.59 3/25/96.
## &rst iat= 102, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
## igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
## igr2=1852,1853,1854, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 8 LYS HA 8 LYS HB2 4.50
&rst iat= 109, 111, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 LYS HA 8 LYS HB3 3.50
&rst iat= 109, 112, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 8 LYS HA 8 LYS QPE 5.50
&rst iat= 109, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 120, 121, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 8 LYS HA 8 LYS QPG 4.50
&rst iat= 109, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 114, 115, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 8 LYS HB3 8 LYS QPE 4.50
&rst iat= 112, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 120, 121, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 8 LYS HA 113 PRO QPG 4.50
&rst iat= 109, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1694,1695, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 9 GLU HA 9 GLU QPB 5.50
&rst iat= 131, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 133, 134, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 9 GLU HA 10 ALA HN 4.20
&rst iat= 131, 145, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 9 GLU QPG 119 LYS QPD 5.71
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr1= 136, 137, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1786,1787, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 9 GLU QPB 120 PHE HB2 4.50
&rst iat= -1,1802, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 133, 134, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 9 GLU QPB 120 PHE HB3 5.00 (## loosened from 4.5A 2/9/96.)
&rst iat= -1,1803, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 133, 134, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 10 ALA HA 10 ALA MB 3.50
&rst iat= 147, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 149, 150, 151, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 10 ALA MB 14 GLN HA 4.50 (## loosened from 3.5A 2/9/96.)
&rst iat= -1, 204, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 149, 150, 151, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 10 ALA MB 14 GLN HB3 3.50
&rst iat= -1, 207, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 149, 150, 151, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 10 ALA MB 14 GLN QPG 4.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 149, 150, 151, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 209, 210, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 10 ALA MB 120 PHE HB2 3.50
&rst iat= -1,1802, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 149, 150, 151, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 10 ALA MB 120 PHE HB3 3.50
&rst iat= -1,1803, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 149, 150, 151, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 10 ALA HA 122 TYR CZ 6.78
&rst iat= 147, -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1835,1840, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 10 ALA MB 122 TYR CG 5.75
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72,
igr1= 149, 150, 151, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1833,1842, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 10 ALA MB 122 TYR CZ 5.59
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1= 149, 150, 151, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1835,1840, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 11 THR HA 11 THR MG 5.50
&rst iat= 157, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 161, 162, 163, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 11 THR HB 11 THR HA 4.50
&rst iat= 159, 157, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 THR HB 11 THR MG 5.50
&rst iat= 159, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 161, 162, 163, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 11 THR HB 13 PRO QPD 5.50
&rst iat= 159, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 189, 190, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 11 THR HB 118 GLY HA3 4.50
&rst iat= 159,1772, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 THR HA 119 LYS HA 4.50
&rst iat= 157,1778, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 THR HA 119 LYS HB3 4.50
&rst iat= 157,1781, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 THR HB 119 LYS HA 3.50
&rst iat= 159,1778, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 12 LEU HA 12 LEU QQD 6.04
&rst iat= 171, 175, r1= 1.30, r2= 1.80, r3= 8.24, r4= 8.74, &end
#
# 12 LEU HB2 12 LEU HG 4.50
&rst iat= 173, 176, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 12 LEU HB3 12 LEU HA 4.50
&rst iat= 174, 171, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 12 LEU QQD 12 LEU HA 5.50
&rst iat= 175, 171, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20, &end
#
# 12 LEU QQD 12 LEU HB2 5.54
&rst iat= 175, 173, r1= 1.30, r2= 1.80, r3= 7.74, r4= 8.24, &end
#
# 12 LEU QQD 12 LEU HB3 5.50
&rst iat= 175, 174, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20, &end
#
# 12 LEU QQD 12 LEU HG 5.50
&rst iat= 175, 176, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20, &end
#
# 12 LEU QQD 12 LEU HB2 5.50
&rst iat= 175, 173, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20, &end
#
# 12 LEU QQD 12 LEU HB3 5.50
&rst iat= 175, 174, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20, &end
#
# 12 LEU QQD 12 LEU HG 5.50
&rst iat= 175, 176, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20, &end
#
# 12 LEU HB2 13 PRO QPD 5.50
&rst iat= 173, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 189, 190, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 12 LEU HB3 13 PRO QPD 5.50
&rst iat= 174, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 189, 190, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 12 LEU HG 13 PRO HA 4.50
&rst iat= 176, 198, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 12 LEU QQD 13 PRO HA 7.07
&rst iat= 175, 198, r1= 1.30, r2= 1.80, r3= 9.27, r4= 9.77, &end
#
# 12 LEU QQD 13 PRO QPD 7.99
&rst iat= 175, -1, r1= 1.30, r2= 1.80, r3=10.79, r4=11.29,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 189, 190, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 12 LEU HA 15 VAL MG2 5.50
&rst iat= 171, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 229, 230, 231, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 12 LEU QQD 15 VAL HB 6.18
&rst iat= 175, 223, r1= 1.30, r2= 1.80, r3= 8.38, r4= 8.88, &end
#
# 12 LEU QQD 15 VAL MG1 7.09
&rst iat= 175, -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 225, 226, 227, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 12 LEU QQD 15 VAL HB 6.81
&rst iat= 175, 223, r1= 1.30, r2= 1.80, r3= 9.01, r4= 9.51, &end
#
# 12 LEU QQD 16 LYS QPE 8.24
&rst iat= 175, -1, r1= 1.30, r2= 1.80, r3=11.04, r4=11.54,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 248, 249, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 12 LEU QQD 16 LYS QPG 7.88
&rst iat= 175, -1, r1= 1.30, r2= 1.80, r3=10.67, r4=11.17,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 242, 243, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 12 LEU QQD 117 ASP HA 7.39
&rst iat= 175,1758, r1= 1.30, r2= 1.80, r3= 9.59, r4=10.09, &end
#
# 12 LEU QQD 120 PHE HZ 7.31
&rst iat= 175,1810, r1= 1.30, r2= 1.80, r3= 9.51, r4=10.01, &end
#
# 13 PRO HA 13 PRO QPB 4.50
&rst iat= 198, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 195, 196, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 13 PRO HA 13 PRO QPG 5.50
&rst iat= 198, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 192, 193, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 13 PRO QPB 13 PRO QPG 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 195, 196, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 192, 193, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 13 PRO QPD 13 PRO HA 5.50
&rst iat= -1, 198, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 189, 190, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 13 PRO QPD 13 PRO QPB 5.67
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
igr1= 189, 190, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 195, 196, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 13 PRO QPD 13 PRO QPG 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 189, 190, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 192, 193, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 13 PRO QPB 16 LYS QPD 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 195, 196, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 245, 246, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 14 GLN HA 14 GLN HB2 4.50
&rst iat= 204, 206, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 14 GLN HA 14 GLN HB3 3.50
&rst iat= 204, 207, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 14 GLN HA 14 GLN QPG 4.50
&rst iat= 204, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 209, 210, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 14 GLN HA 17 ALA MB 3.50
&rst iat= 204, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 261, 262, 263, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 14 GLN HB3 17 ALA MB 3.50
&rst iat= 207, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 261, 262, 263, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 14 GLN QPG 17 ALA MB 4.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 209, 210, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 261, 262, 263, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 14 GLN HA 18 MET ME 4.50
&rst iat= 204, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 280, 281, 282, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 14 GLN HB2 18 MET ME 3.50
&rst iat= 206, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 280, 281, 282, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 14 GLN HB3 18 MET ME 3.50
&rst iat= 207, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 280, 281, 282, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 14 GLN HB2 120 PHE HB3 4.50
&rst iat= 206,1803, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 15 VAL HA 15 VAL HB 4.50
&rst iat= 221, 223, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 15 VAL HA 15 VAL MG1 5.50
&rst iat= 221, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 225, 226, 227, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 15 VAL HA 15 VAL MG2 5.50
&rst iat= 221, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 229, 230, 231, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 15 VAL MG1 15 VAL HB 5.50
&rst iat= -1, 223, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 225, 226, 227, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 15 VAL MG2 15 VAL HB 5.50
&rst iat= -1, 223, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 229, 230, 231, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 15 VAL MG2 15 VAL HN 5.98
&rst iat= -1, 219, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
igr1= 229, 230, 231, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 15 VAL HA 18 MET HB2 4.50
&rst iat= 221, 271, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 15 VAL HA 18 MET HB3 3.50 ## loosened 3/25/96.
&rst iat= 221, 272, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 15 VAL HA 18 MET ME 3.50
&rst iat= 221, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 280, 281, 282, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 15 VAL MG2 18 MET ME 4.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 229, 230, 231, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 280, 281, 282, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 15 VAL MG1 43 ALA MB 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1= 225, 226, 227, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 645, 646, 647, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
## 15 VAL HA 77 ILE HB 3.50 3/25/96.
## &rst iat= 221,1157, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 15 VAL HA 77 ILE MD 5.50
&rst iat= 221, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1166,1167,1168, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
## 15 VAL HA 120 PHE HB3 3.50 3/25/96.
## &rst iat= 221,1803, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 15 VAL MG2 120 PHE CG 7.29
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.96, r4= 9.46,
igr1= 229, 230, 231, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1806,1814, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 15 VAL MG2 120 PHE HZ 5.85
&rst iat= -1,1810, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 229, 230, 231, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 16 LYS HA 16 LYS HB2 3.50
&rst iat= 237, 239, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 16 LYS HA 16 LYS QPD 4.50
&rst iat= 237, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 245, 246, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 16 LYS HB3 16 LYS HA 3.50
&rst iat= 240, 237, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 16 LYS QPE 16 LYS HB2 4.50
&rst iat= -1, 239, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 248, 249, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 16 LYS QPE 16 LYS HB3 4.50
&rst iat= -1, 240, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 248, 249, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 16 LYS QPE 16 LYS QPD 4.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 248, 249, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 245, 246, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 16 LYS QPE 16 LYS QPG 4.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 248, 249, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 242, 243, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 16 LYS QPG 16 LYS HA 5.50
&rst iat= -1, 237, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 242, 243, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 16 LYS HA 16 LYS QPG 4.50
&rst iat= 237, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 242, 243, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 16 LYS HA 19 LEU QQD 6.44
&rst iat= 237, 292, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14, &end
#
# 16 LYS HA 19 LEU QQD 6.35
&rst iat= 237, 292, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05, &end
#
# 17 ALA HA 17 ALA MB 3.50
&rst iat= 259, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 261, 262, 263, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 17 ALA MB 18 MET HN 4.20
&rst iat= -1, 267, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 261, 262, 263, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 17 ALA HA 20 GLU HB2 4.50
&rst iat= 259, 309, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 17 ALA HA 20 GLU QPG 5.50
&rst iat= 259, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 312, 313, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
## 17 ALA MB 20 GLU HB3 4.50 3/25/96.
## &rst iat= -1, 310, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
## igr1= 261, 262, 263, 0, 0, 0, 0, 0, 0, 0, 0, 0,
## igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 17 ALA MB 20 GLU QPG 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr1= 261, 262, 263, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 312, 313, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 18 MET HA 18 MET HB2 4.50
&rst iat= 269, 271, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 MET HA 18 MET QPG 5.50
&rst iat= 269, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 274, 274, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 18 MET ME 18 MET HA 4.50
&rst iat= -1, 269, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 280, 281, 282, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 18 MET ME 18 MET HB2 3.50
&rst iat= -1, 271, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 280, 281, 282, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 18 MET ME 18 MET HB3 3.50
&rst iat= -1, 272, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 280, 281, 282, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 18 MET ME 18 MET QPG 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr1= 280, 281, 282, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 274, 274, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 18 MET QPG 18 MET HB3 4.50
&rst iat= -1, 272, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 274, 274, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 18 MET HA 21 LYS QPD 4.50
&rst iat= 269, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 331, 332, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 18 MET HA 21 LYS QPG 5.50
&rst iat= 269, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 328, 329, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 18 MET HA 41 VAL MG1 5.50
&rst iat= 269, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 621, 622, 623, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 18 MET HB2 41 VAL MG1 5.50
&rst iat= 271, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 621, 622, 623, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 18 MET HB3 41 VAL MG2 5.50
&rst iat= 272, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 625, 626, 627, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 18 MET ME 41 VAL MG1 4.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 280, 281, 282, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 621, 622, 623, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 18 MET QPG 41 VAL MG2 6.51
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 274, 274, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 625, 626, 627, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 19 LEU HA 19 LEU HB2 4.50
&rst iat= 288, 290, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 LEU HA 19 LEU HB3 4.50
&rst iat= 288, 291, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 LEU HA 19 LEU QQD 5.50
&rst iat= 288, 292, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20, &end
#
# 19 LEU HB2 19 LEU QQD 5.66
&rst iat= 290, 292, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, &end
#
# 19 LEU HB2 19 LEU QQD 5.63
&rst iat= 290, 292, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33, &end
#
# 19 LEU HB3 19 LEU QQD 5.50
&rst iat= 291, 292, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20, &end
#
# 19 LEU HG 19 LEU QQD 5.50
&rst iat= 293, 292, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20, &end
#
# 19 LEU HG 19 LEU QQD 5.50
&rst iat= 293, 292, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20, &end
#
# 19 LEU QQD 19 LEU HB3 5.50
&rst iat= 292, 291, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20, &end
#
# 19 LEU QQD 19 LEU HN 6.50
&rst iat= 292, 286, r1= 1.30, r2= 1.80, r3= 8.70, r4= 9.20, &end
#
# 19 LEU QQD 19 LEU HA 5.98
&rst iat= 292, 288, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68, &end
#
# 19 LEU HA 41 VAL MG1 5.50
&rst iat= 288, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 621, 622, 623, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 19 LEU HA 41 VAL MG2 5.80
&rst iat= 288, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 625, 626, 627, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 20 GLU HA 20 GLU HB2 3.50
&rst iat= 307, 309, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 20 GLU HA 20 GLU HB3 3.50
&rst iat= 307, 310, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 20 GLU HA 20 GLU QPG 4.50
&rst iat= 307, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 312, 313, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 20 GLU QPG 20 GLU HB2 4.50
&rst iat= -1, 309, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 312, 313, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 20 GLU HA 21 LYS HN 5.50
&rst iat= 307, 321, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 LYS HA 21 LYS QPB 4.50
&rst iat= 323, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 325, 326, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 21 LYS HA 21 LYS QPG 4.50
&rst iat= 323, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 328, 329, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 21 LYS QPG 21 LYS QPE 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 328, 329, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 334, 335, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 21 LYS QPE 22 ASP HN 5.50
&rst iat= -1, 343, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 334, 335, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 21 LYS QPB 41 VAL MG2 6.08
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr1= 325, 326, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 625, 626, 627, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 22 ASP HA 22 ASP QPB 5.50
&rst iat= 345, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 347, 348, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 22 ASP HA 41 VAL MG2 5.50
&rst iat= 345, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 625, 626, 627, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 22 ASP QPB 41 VAL MG2 6.35
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
igr1= 347, 348, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 625, 626, 627, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 23 THR HA 23 THR MG 5.50
&rst iat= 358, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 362, 363, 364, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 23 THR HB 23 THR HA 4.50
&rst iat= 360, 358, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 23 THR HB 23 THR MG 5.50
&rst iat= 360, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 362, 363, 364, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 23 THR MG 38 VAL HA 5.50
&rst iat= -1, 567, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 362, 363, 364, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 23 THR MG 39 HISP HB2 5.50
&rst iat= -1, 585, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 362, 363, 364, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 23 THR MG 39 HISP HB3 5.50
&rst iat= -1, 586, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 362, 363, 364, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 24 GLY HA3 25 LYS HN 5.50
&rst iat= 373, 377, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 GLY HA3 31 VAL MG1 5.50
&rst iat= 373, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 466, 467, 468, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 24 GLY HA2 31 VAL MG1 5.50
&rst iat= 372, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 466, 467, 468, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 24 GLY HA3 33 TYR HA 4.50
&rst iat= 373, 492, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 24 GLY HA2 33 TYR HA 4.50
&rst iat= 372, 492, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 25 LYS HA 25 LYS QPB 4.50
&rst iat= 379, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 381, 382, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 25 LYS QPE 25 LYS QPB 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 390, 391, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 381, 382, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 25 LYS QPE 25 LYS QPG 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 390, 391, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 384, 385, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 25 LYS QPG 25 LYS HA 4.50
&rst iat= -1, 379, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 384, 385, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 25 LYS QPG 25 LYS QPB 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 384, 385, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 381, 382, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 25 LYS QPB 32 THR HB 5.50
&rst iat= -1, 480, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 381, 382, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 26 VAL HA 26 VAL HB 3.50
&rst iat= 401, 403, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 26 VAL HA 26 VAL MG1 5.50
&rst iat= 401, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 405, 406, 407, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 26 VAL HA 26 VAL MG2 5.50
&rst iat= 401, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 409, 410, 411, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 26 VAL HB 26 VAL MG1 4.50
&rst iat= 403, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 405, 406, 407, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 26 VAL MG2 26 VAL HB 4.50
&rst iat= -1, 403, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 409, 410, 411, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 26 VAL HA 31 VAL MG1 5.50
&rst iat= 401, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 466, 467, 468, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 26 VAL HA 31 VAL MG2 5.50
&rst iat= 401, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 470, 471, 472, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 26 VAL HB 31 VAL MG2 5.50
&rst iat= 403, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 470, 471, 472, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 26 VAL MG1 31 VAL HA 5.50
&rst iat= -1, 462, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 405, 406, 407, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 26 VAL MG1 59 LYS QPE 5.81
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1= 405, 406, 407, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 892, 893, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 26 VAL MG2 59 LYS QPG 5.68
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1= 409, 410, 411, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 886, 887, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 27 SER QPB 27 SER HA 4.50
&rst iat= -1, 417, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 419, 420, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 27 SER HA 30 THR HB 4.50
&rst iat= 417, 450, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 27 SER QPB 30 THR MG 5.67
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
igr1= 419, 420, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 452, 453, 454, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 29 ASP HA 29 ASP QPB 5.50
&rst iat= 435, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 437, 438, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 29 ASP QPB 59 LYS QPE 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 437, 438, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 892, 893, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 29 ASP HA 62 PRO QPB 5.50
&rst iat= 435, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 944, 945, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 30 THR HA 30 THR MG 5.50
&rst iat= 448, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 452, 453, 454, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 30 THR HB 30 THR HA 4.50
&rst iat= 450, 448, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 THR HB 30 THR MG 4.50
&rst iat= 450, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 452, 453, 454, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 30 THR HA 31 VAL HN 4.20
&rst iat= 448, 460, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 30 THR MG 31 VAL HN 5.50
&rst iat= -1, 460, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 452, 453, 454, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 30 THR HA 62 PRO HA 4.50
&rst iat= 448, 947, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 THR HA 62 PRO QPB 5.50
&rst iat= 448, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 944, 945, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 30 THR HA 63 THR HB 4.50
&rst iat= 448, 955, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 THR HB 63 THR MG 4.50
&rst iat= 450, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 957, 958, 959, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 30 THR MG 63 THR HA 5.50
&rst iat= -1, 953, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 452, 453, 454, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 30 THR MG 63 THR HB 4.50
&rst iat= -1, 955, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 452, 453, 454, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 31 VAL HA 31 VAL MG1 5.50
&rst iat= 462, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 466, 467, 468, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 31 VAL HA 31 VAL MG2 5.50
&rst iat= 462, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 470, 471, 472, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 31 VAL MG1 31 VAL HB 5.50
&rst iat= -1, 464, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 466, 467, 468, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 31 VAL MG2 31 VAL HB 5.50
&rst iat= -1, 464, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 470, 471, 472, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 31 VAL HA 32 THR HN 4.20
&rst iat= 462, 476, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 31 VAL MG1 56 VAL MG1 7.08
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.69, r4= 9.19,
igr1= 466, 467, 468, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 838, 839, 840, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 31 VAL MG1 57 HISP HD 5.69
&rst iat= -1, 862, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1= 466, 467, 468, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 31 VAL MG1 57 HISP QPB 5.97
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 466, 467, 468, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 852, 853, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 31 VAL MG2 57 HISP QPB 5.98
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79,
igr1= 470, 471, 472, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 852, 853, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 31 VAL MG2 58 ASP HA 5.62
&rst iat= -1, 868, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 470, 471, 472, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 31 VAL HB 59 LYS QPE 5.50
&rst iat= 464, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 892, 893, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 31 VAL HB 59 LYS QPG 4.50
&rst iat= 464, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 886, 887, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 31 VAL MG2 59 LYS QPB 5.53
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 470, 471, 472, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 883, 884, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 31 VAL MG2 59 LYS QPG 5.84
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 470, 471, 472, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 886, 887, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 31 VAL HB 64 LEU QQD 5.97
&rst iat= 464, 971, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67, &end
#
# 31 VAL MG1 64 LEU QQD 7.88
&rst iat= -1, 971, r1= 1.30, r2= 1.80, r3=10.89, r4=11.39,
igr1= 466, 467, 468, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 64 LEU QQD 64 LEU HG 5.50
&rst iat= 971, 972, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20, &end
#
# 31 VAL MG2 64 LEU QQD 7.28
&rst iat= -1, 971, r1= 1.30, r2= 1.80, r3=10.27, r4=10.77,
igr1= 470, 471, 472, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 31 VAL MG2 31 VAL HN 5.79 (## changed from E65 HN 2/9/96.)
&rst iat= -1, 460, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 470, 471, 472, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 32 THR HA 32 THR MG 5.50
&rst iat= 478, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 482, 483, 484, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 32 THR HB 32 THR HA 4.50
&rst iat= 480, 478, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 32 THR HB 32 THR HN 5.50
&rst iat= 480, 476, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 THR MG 32 THR HB 4.50
&rst iat= -1, 480, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 482, 483, 484, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 32 THR HA 33 TYR HN 4.20
&rst iat= 478, 490, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 32 THR HA 65 GLU HB2 3.50
&rst iat= 478, 988, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 32 THR HA 65 GLU HB3 4.50
&rst iat= 478, 989, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 32 THR MG 65 GLU HA 5.50
&rst iat= -1, 986, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 482, 483, 484, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 32 THR MG 65 GLU HB2 4.50
&rst iat= -1, 988, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 482, 483, 484, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 32 THR MG 65 GLU HB3 4.50
&rst iat= -1, 989, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 482, 483, 484, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 32 THR MG 65 GLU QPG 5.82
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
igr1= 482, 483, 484, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 991, 992, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 32 THR MG 67 PRO QPD 5.55
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1= 482, 483, 484, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1020,1021, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 33 TYR HA 33 TYR CG 6.01
&rst iat= 492, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 498, 507, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 33 TYR HA 33 TYR QPB 4.50
&rst iat= 492, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 494, 495, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 33 TYR HA 38 VAL MG2 5.50
&rst iat= 492, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 575, 576, 577, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 33 TYR CG 38 VAL MG1 8.42
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.21, r4=10.71,
igr1= 498, 507, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 571, 572, 573, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 33 TYR QPB 38 VAL MG1 6.23
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 494, 495, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 571, 572, 573, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 33 TYR QPB 38 VAL MG2 6.12
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.44, r4= 7.94,
igr1= 494, 495, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 575, 576, 577, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 33 TYR CG 66 ILE MD 7.71
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.43, r4= 9.93,
igr1= 498, 507, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1013,1014,1015, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 33 TYR QPB 66 ILE HB 5.50
&rst iat= -1,1004, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 494, 495, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 33 TYR QPB 66 ILE QPG 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 494, 495, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1010,1011, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 33 TYR QPB 67 PRO QPB 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 494, 495, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1026,1027, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 33 TYR QPB 67 PRO QPD 6.07
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr1= 494, 495, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1020,1021, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 34 SER HA 34 SER QPB 4.50
&rst iat= 513, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 515, 516, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 34 SER HA 67 PRO QPD 5.50
&rst iat= 513, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1020,1021, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 34 SER HA 67 PRO QPG 4.50
&rst iat= 513, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1023,1024, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 36 LYS HA 36 LYS HB2 3.50
&rst iat= 531, 533, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 36 LYS HA 36 LYS HB3 3.50
&rst iat= 531, 534, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 36 LYS HA 36 LYS QPD 5.50
&rst iat= 531, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 539, 540, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 36 LYS HA 36 LYS QPG 4.50
&rst iat= 531, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 536, 537, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 36 LYS QPE 36 LYS HB3 4.50
&rst iat= -1, 534, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 542, 543, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 36 LYS HA 70 ALA HA 3.50
&rst iat= 531,1052, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 36 LYS HA 70 ALA MB 3.50
&rst iat= 531, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1054,1055,1056, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 36 LYS HB2 70 ALA HA 4.50
&rst iat= 533,1052, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
## 36 LYS HB2 70 ALA MB 3.50 3/25/96.
## &rst iat= 533, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
## igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
## igr2=1054,1055,1056, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 36 LYS HB3 70 ALA HA 4.50
&rst iat= 534,1052, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 36 LYS QPD 70 ALA HA 5.50
&rst iat= -1,1052, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 539, 540, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 36 LYS QPG 70 ALA HA 5.50
&rst iat= -1,1052, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 536, 537, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 37 THR HA 37 THR MG 5.50
&rst iat= 553, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 557, 558, 559, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
## 37 THR HB 70 ALA MB 3.50 3/25/96.
## &rst iat= 555, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
## igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
## igr2=1054,1055,1056, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 37 THR HA 71 THR HB 4.50
&rst iat= 553,1064, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 37 THR HA 71 THR MG 5.50
&rst iat= 553, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1066,1067,1068, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 37 THR MG 71 THR HB 5.50
&rst iat= -1,1064, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 557, 558, 559, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 38 VAL HA 38 VAL HB 3.50
&rst iat= 567, 569, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 38 VAL HA 38 VAL MG2 5.50
&rst iat= 567, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 575, 576, 577, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 38 VAL MG1 38 VAL HA 5.50
&rst iat= -1, 567, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 571, 572, 573, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 38 VAL MG1 38 VAL HB 4.50
&rst iat= -1, 569, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 571, 572, 573, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 38 VAL MG2 38 VAL HB 4.50
&rst iat= -1, 569, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 575, 576, 577, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 38 VAL HB 66 ILE MD 5.50
&rst iat= 569, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1013,1014,1015, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 38 VAL MG2 67 PRO QPD 6.04
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
igr1= 575, 576, 577, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1020,1021, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 38 VAL HA 72 VAL MG1 5.50
&rst iat= 567, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1080,1081,1082, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 38 VAL HB 72 VAL HA 4.50
&rst iat= 569,1076, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 38 VAL HB 72 VAL MG2 5.50
&rst iat= 569, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1084,1085,1086, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 38 VAL MG1 72 VAL HA 5.50
&rst iat= -1,1076, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 571, 572, 573, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 39 HISP HA 39 HISP HB2 4.50
&rst iat= 583, 585, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 39 HISP HA 39 HISP HB3 5.50
&rst iat= 583, 586, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 HISP HA 39 HISP HD 4.50
&rst iat= 583, 595, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 39 HISP HA 40 VAL HN 4.20
&rst iat= 583, 599, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 39 HISP HA 72 VAL MG1 5.81
&rst iat= 583, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1080,1081,1082, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 39 HISP HA 74 VAL MG2 6.44 (## changed from V72 MG2 2/9/96.)
&rst iat= 583, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1113,1114,1115, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 39 HISP HA 73 ASP HB2 4.50
&rst iat= 583,1094, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 39 HISP HA 73 ASP HB3 4.50
&rst iat= 583,1095, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 40 VAL HA 40 VAL MG1 5.50
&rst iat= 601, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 605, 606, 607, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 40 VAL HA 40 VAL MG2 5.50
&rst iat= 601, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 609, 610, 611, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 40 VAL MG1 40 VAL HB 5.50
&rst iat= -1, 603, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 605, 606, 607, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 40 VAL MG2 40 VAL HB 5.50
&rst iat= -1, 603, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 609, 610, 611, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 40 VAL HA 41 VAL HN 4.20
&rst iat= 601, 615, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 40 VAL MG1 64 LEU QQD 8.79
&rst iat= -1, 971, r1= 1.30, r2= 1.80, r3=11.82, r4=12.32,
igr1= 605, 606, 607, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 40 VAL HB 74 VAL HA 4.50
&rst iat= 603,1105, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 41 VAL HA 41 VAL HN 4.20
&rst iat= 617, 615, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 41 VAL HA 41 VAL MG1 5.50
&rst iat= 617, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 621, 622, 623, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 41 VAL HA 41 VAL MG2 5.50
&rst iat= 617, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 625, 626, 627, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 41 VAL MG1 41 VAL HB 4.50
&rst iat= -1, 619, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 621, 622, 623, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 41 VAL MG2 41 VAL HB 5.50
&rst iat= -1, 619, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 625, 626, 627, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 41 VAL HA 75 THR HB 4.50
&rst iat= 617,1123, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 42 ALA HA 42 ALA MB 4.50
&rst iat= 633, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 635, 636, 637, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 42 ALA HA 43 ALA HN 4.20
&rst iat= 633, 641, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 42 ALA MB 43 ALA HN 5.50
&rst iat= -1, 641, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 635, 636, 637, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 42 ALA MB 54 PHE HB3 4.50
&rst iat= -1, 801, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 635, 636, 637, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 42 ALA HA 56 VAL HA 4.50
&rst iat= 633, 834, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 42 ALA HA 56 VAL MG2 5.50
&rst iat= 633, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 842, 843, 844, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 43 ALA HA 43 ALA MB 4.50
&rst iat= 643, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 645, 646, 647, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
## 43 ALA HA 44 ALA HN 5.50 4/10/96 duplicate.
## &rst iat= 643, 651, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 ALA MB 77 ILE HB 3.50
&rst iat= -1,1157, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 645, 646, 647, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 44 ALA HA 44 ALA MB 4.50
&rst iat= 653, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 655, 656, 657, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 44 ALA MB 44 ALA HN 5.50
&rst iat= -1, 651, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 655, 656, 657, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 44 ALA HA 45 VAL HN 5.50 ## toghtened to 4A 4/10/96.
&rst iat= 653, 661, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 44 ALA HA 54 PHE HA 4.50
&rst iat= 653, 798, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 44 ALA MB 78 ASN HA 4.50
&rst iat= -1,1174, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 655, 656, 657, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 44 ALA MB 80 ASN HB2 4.50
&rst iat= -1,1204, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 655, 656, 657, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 44 ALA MB 80 ASN HB3 5.50
&rst iat= -1,1205, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 655, 656, 657, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 45 VAL HA 45 VAL MG1 5.50
&rst iat= 663, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 667, 668, 669, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 45 VAL MG1 45 VAL HB 5.50
&rst iat= -1, 665, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 667, 668, 669, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 45 VAL MG2 45 VAL HA 5.50
&rst iat= -1, 663, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 671, 672, 673, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 45 VAL MG2 45 VAL HB 5.50
&rst iat= -1, 665, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 671, 672, 673, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
## 45 VAL HA 46 LEU HN 5.50 double 3/25/96.
## &rst iat= 663, 677, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 VAL MG2 51 PHE HA 5.50
&rst iat= -1, 753, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 671, 672, 673, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 45 VAL MG2 52 CPRO HA 5.50
&rst iat= -1, 781, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 671, 672, 673, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 45 VAL HB 80 ASN HB2 4.50
&rst iat= 665,1204, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 46 LEU HA 46 LEU HB3 4.50
&rst iat= 679, 682, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 46 LEU HA 46 LEU QQD 5.59
&rst iat= 679, 683, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29, &end
#
# 46 LEU HB3 46 LEU QQD 5.50
&rst iat= 682, 683, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20, &end
#
# 46 LEU QQD 46 LEU HB2 5.56
&rst iat= 683, 681, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26, &end
#
# 46 LEU QQD 46 LEU HG 5.50
&rst iat= 683, 684, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20, &end
#
# 46 LEU QQD 46 LEU HB2 5.50
&rst iat= 683, 681, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20, &end
#
# 46 LEU QQD 46 LEU HB3 5.50
&rst iat= 683, 682, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20, &end
#
# 46 LEU HA 47 PRO QPD 5.50
&rst iat= 679, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 697, 698, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 46 LEU HB3 47 PRO QPD 5.50
&rst iat= 682, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 697, 698, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 46 LEU QQD 55 GLU HB2 6.21
&rst iat= 683, 820, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, &end
#
# 44 ALA MB 148 MET ME 3.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 655, 656, 657, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2227,2228,2229, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 47 PRO HA 47 PRO QPB 5.50
&rst iat= 706, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 703, 704, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 47 PRO HA 47 PRO QPG 5.50
&rst iat= 706, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 700, 701, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 47 PRO QPD 47 PRO QPB 5.54
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 697, 698, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 703, 704, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 47 PRO QPD 47 PRO QPG 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 697, 698, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 700, 701, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 49 PHE HA 49 PHE HB2 4.50
&rst iat= 719, 721, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 49 PHE HA 49 PHE HB3 4.50
&rst iat= 719, 722, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 49 PHE HA 49 PHE CG 5.50
&rst iat= 719, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 725, 733, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 49 PHE HA 50 PRO QPB 5.50
&rst iat= 719, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 744, 745, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 49 PHE HA 50 PRO QPD 5.50
&rst iat= 719, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 738, 739, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 50 PRO HA 50 PRO QPB 4.50
&rst iat= 747, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 744, 745, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 50 PRO HA 50 PRO QPG 5.50
&rst iat= 747, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 741, 742, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 50 PRO QPD 50 PRO QPG 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 738, 739, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 741, 742, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 51 PHE HA 51 PHE QPB 4.50
&rst iat= 753, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 755, 756, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 51 PHE HA 52 CPRO HA 4.50
&rst iat= 753, 781, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 52 CPRO HA 52 CPRO QPB 5.63
&rst iat= 781, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 778, 779, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 52 CPRO QPD 52 CPRO QPB 6.12
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 772, 773, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 778, 779, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 52 CPRO QPD 52 CPRO QPG 5.97
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr1= 772, 773, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 775, 776, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 53 SER QPB 53 SER HA 5.50
&rst iat= -1, 787, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 789, 790, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 53 SER HA 54 PHE HN 5.50
&rst iat= 787, 796, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 SER HA 148 MET HA 3.50
&rst iat= 787,2216, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 53 SER HA 148 MET QPG 5.50
&rst iat= 787, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2221,2221, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 54 PHE HA 55 GLU HN 5.50
&rst iat= 798, 816, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 54 PHE HB2 60 LYS HA 4.50
&rst iat= 800, 903, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 55 GLU HA 55 GLU HB2 4.50
&rst iat= 818, 820, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 55 GLU HA 55 GLU HB3 4.50
&rst iat= 818, 821, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 55 GLU HA 55 GLU QPG 5.50
&rst iat= 818, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 823, 824, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 55 GLU HA 56 VAL HN 5.50
&rst iat= 818, 832, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 GLU HA 60 LYS HA 4.50
&rst iat= 818, 903, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 55 GLU HB3 60 LYS HA 4.50
&rst iat= 821, 903, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 55 GLU QPG 60 LYS HA 5.50
&rst iat= -1, 903, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 823, 824, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 55 GLU QPG 60 LYS QPE 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 823, 824, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 914, 915, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 56 VAL HA 56 VAL HB 4.50
&rst iat= 834, 836, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 56 VAL HA 56 VAL MG1 5.50
&rst iat= 834, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 838, 839, 840, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 56 VAL HA 56 VAL MG2 5.50
&rst iat= 834, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 842, 843, 844, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 56 VAL MG1 56 VAL HB 4.50
&rst iat= -1, 836, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 838, 839, 840, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 56 VAL MG2 56 VAL HB 5.50
&rst iat= -1, 836, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 842, 843, 844, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 56 VAL MG2 57 HISP HN 6.82
&rst iat= -1, 848, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,
igr1= 842, 843, 844, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 57 HISP HA 57 HISP QPB 4.50
&rst iat= 850, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 852, 853, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 58 ASP QPB 58 ASP HA 5.50
&rst iat= -1, 868, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 870, 871, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 59 LYS HA 59 LYS QPB 4.50
&rst iat= 881, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 883, 884, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 59 LYS HA 59 LYS QPG 5.50
&rst iat= 881, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 886, 887, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 59 LYS QPE 59 LYS QPB 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 892, 893, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 883, 884, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 59 LYS QPE 59 LYS QPD 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 892, 893, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 889, 890, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 59 LYS QPE 59 LYS QPG 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 892, 893, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 886, 887, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 59 LYS QPE 62 PRO QPB 5.52
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 892, 893, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 944, 945, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 60 LYS HA 60 LYS HB2 4.50
&rst iat= 903, 905, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 60 LYS HA 60 LYS QPD 5.50
&rst iat= 903, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 911, 912, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 60 LYS HB2 60 LYS QPG 4.50
&rst iat= 905, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 908, 909, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 60 LYS HA 61 ASN HN 5.50
&rst iat= 903, 923, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 PRO HA 62 PRO QPB 4.50
&rst iat= 947, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 944, 945, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 62 PRO QPD 62 PRO HA 5.50
&rst iat= -1, 947, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 938, 939, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 62 PRO QPD 62 PRO QPB 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 938, 939, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 944, 945, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 62 PRO HA 63 THR HN 5.50
&rst iat= 947, 951, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 THR HA 63 THR HB 4.50
&rst iat= 953, 955, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 63 THR HA 64 LEU HN 4.20
&rst iat= 953, 965, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 63 THR MG 64 LEU HN 5.75
&rst iat= -1, 965, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 957, 958, 959, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 63 THR MG 150 GLY HA2 5.50
&rst iat= -1,2255, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 957, 958, 959, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 63 THR MG 151 LYS HA 5.50
&rst iat= -1,2262, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 957, 958, 959, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 63 THR MG 151 LYS HB3 4.50
&rst iat= -1,2265, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 957, 958, 959, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 63 THR HA 152 ILE HA 5.50
&rst iat= 953,2284, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 THR MG 152 ILE HA 5.50
&rst iat= -1,2284, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 957, 958, 959, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 64 LEU HA 64 LEU QQD 6.63
&rst iat= 967, 971, r1= 1.30, r2= 1.80, r3= 8.83, r4= 9.33, &end
#
# 64 LEU HA 64 LEU QQD 5.96
&rst iat= 967, 971, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66, &end
#
# 64 LEU QQD 64 LEU HG 5.50
&rst iat= 971, 972, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20, &end
#
# 64 LEU QQD 64 LEU HB2 5.95
&rst iat= 971, 969, r1= 1.30, r2= 1.80, r3= 8.15, r4= 8.65, &end
#
# 64 LEU QQD 64 LEU HG 5.50
&rst iat= 971, 972, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20, &end
#
# 64 LEU HB2 152 ILE QPG 3.50
&rst iat= 969, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2292,2293, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 64 LEU HB2 152 ILE MG 5.50
&rst iat= 969, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2288,2289,2290, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 64 LEU HB3 152 ILE MG 5.50
&rst iat= 970, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2288,2289,2290, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 64 LEU QQD 152 ILE QPG 6.35
&rst iat= 971, -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2292,2293, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 64 LEU QQD 152 ILE QPG 6.08
&rst iat= 971, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2292,2293, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 65 GLU HA 65 GLU HB2 4.50
&rst iat= 986, 988, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 65 GLU HA 65 GLU HB3 3.50
&rst iat= 986, 989, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 65 GLU HA 66 ILE HN 4.20
&rst iat= 986,1000, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 65 GLU HA 153 VAL MG1 5.89
&rst iat= 986, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2307,2308,2309, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 65 GLU HA 153 VAL MG2 5.50
&rst iat= 986, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2311,2312,2313, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 65 GLU QPG 153 VAL MG2 5.84
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 991, 992, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2311,2312,2313, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 66 ILE HA 66 ILE QPG 3.50
&rst iat=1002, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1010,1011, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 66 ILE HA 66 ILE MG 5.50
&rst iat=1002, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1006,1007,1008, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 66 ILE HB 66 ILE HN 5.50
&rst iat=1004,1000, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 ILE HB 66 ILE MD 5.50
&rst iat=1004, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1013,1014,1015, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 66 ILE HB 66 ILE MG 5.50
&rst iat=1004, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1006,1007,1008, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 66 ILE MD 66 ILE QPG 4.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1=1013,1014,1015, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1010,1011, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 66 ILE MG 66 ILE QPG 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr1=1006,1007,1008, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1010,1011, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 66 ILE HB 67 PRO QPD 4.50
&rst iat=1004, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1020,1021, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 66 ILE MD 67 PRO QPD 7.15
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
igr1=1013,1014,1015, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1020,1021, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 66 ILE QPG 67 PRO QPD 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1=1010,1011, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1020,1021, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 66 ILE MG 67 PRO QPD 6.21
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04,
igr1=1006,1007,1008, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1020,1021, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 66 ILE QPG 72 VAL MG2 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr1=1010,1011, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1084,1085,1086, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 66 ILE MG 72 VAL MG2 5.81
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1=1006,1007,1008, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1084,1085,1086, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 66 ILE MD 129 PRO QPG 6.44
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1013,1014,1015, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1953,1954, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 66 ILE MG 129 PRO QPG 6.24
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1006,1007,1008, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1953,1954, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 66 ILE MD 152 ILE MG 6.06
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,
igr1=1013,1014,1015, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2288,2289,2290, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 66 ILE QPG 152 ILE MG 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr1=1010,1011, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2288,2289,2290, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 66 ILE HB 153 VAL HB 5.00 (## loosened from 3.5A 2/26/96.)
&rst iat=1004,2305, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 66 ILE HA 154 VAL MG2 5.50
&rst iat=1002, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2327,2328,2329, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 66 ILE HB 154 VAL HA 4.50
&rst iat=1004,2319, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 66 ILE HB 154 VAL MG1 4.50
&rst iat=1004, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2323,2324,2325, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 66 ILE HB 154 VAL MG2 5.50
&rst iat=1004, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2327,2328,2329, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 66 ILE MG 154 VAL MG2 5.67
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr1=1006,1007,1008, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2327,2328,2329, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 67 PRO HA 67 PRO QPB 5.50
&rst iat=1029, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1026,1027, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 67 PRO HA 67 PRO QPG 5.50
&rst iat=1029, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1023,1024, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 67 PRO QPD 67 PRO QPB 5.77
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr1=1020,1021, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1026,1027, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 67 PRO QPD 67 PRO QPG 5.87
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1=1020,1021, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1023,1024, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 68 ALA HA 68 ALA MB 3.50
&rst iat=1035, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1037,1038,1039, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 68 ALA HA 129 PRO QPG 5.50
&rst iat=1035, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1953,1954, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 68 ALA MB 131 ALA HA 3.50
&rst iat= -1,1979, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1=1037,1038,1039, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 68 ALA HA 154 VAL MG1 5.50
&rst iat=1035, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2323,2324,2325, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 68 ALA MB 155 LYS HA 3.50
&rst iat= -1,2335, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1=1037,1038,1039, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 70 ALA HA 70 ALA MB 3.50
&rst iat=1052, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1054,1055,1056, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 71 THR HA 71 THR MG 5.50
&rst iat=1062, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1066,1067,1068, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 71 THR HB 71 THR HA 3.50
&rst iat=1064,1062, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 71 THR HB 71 THR MG 4.50
&rst iat=1064, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1066,1067,1068, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 71 THR HA 72 VAL HN 4.20
&rst iat=1062,1074, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 71 THR MG 127 TRP HA 5.50
&rst iat= -1,1909, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1066,1067,1068, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 72 VAL HA 72 VAL MG1 5.50
&rst iat=1076, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1080,1081,1082, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 72 VAL HA 72 VAL MG2 5.50
&rst iat=1076, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1084,1085,1086, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 72 VAL MG1 72 VAL HB 5.50
&rst iat= -1,1078, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1080,1081,1082, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 72 VAL MG2 72 VAL HB 5.50
&rst iat= -1,1078, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1084,1085,1086, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 72 VAL HA 73 ASP HN 4.20
&rst iat=1076,1090, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 72 VAL MG1 73 ASP HN 5.50
&rst iat= -1,1090, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1080,1081,1082, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 72 VAL MG2 127 TRP HE 5.50
&rst iat= -1,1926, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1084,1085,1086, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 72 VAL MG2 128 HISP HA 5.77
&rst iat= -1,1933, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1=1084,1085,1086, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 72 VAL MG1 129 PRO QPG 5.72
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1=1080,1081,1082, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1953,1954, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 72 VAL MG2 129 PRO QPD 6.62
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.98, r4= 8.48,
igr1=1084,1085,1086, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1950,1951, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 72 VAL MG2 129 PRO QPG 6.11
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
igr1=1084,1085,1086, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1953,1954, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 73 ASP HA 73 ASP HB2 4.50
&rst iat=1092,1094, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 73 ASP HA 74 VAL HN 4.20
&rst iat=1092,1103, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 73 ASP HA 126 THR HA 4.50
&rst iat=1092,1895, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 73 ASP HA 126 THR MG 5.50
&rst iat=1092, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1899,1900,1901, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 74 VAL HA 74 VAL HN 4.20
&rst iat=1105,1103, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 74 VAL MG2 125 PHE CZ 7.93
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.67, r4=10.17,
igr1=1113,1114,1115, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1883,1887, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 74 VAL MG2 125 PHE HZ 5.50
&rst iat= -1,1885, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1113,1114,1115, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 75 THR HA 76 PHE HN 4.20
&rst iat=1121,1133, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 76 PHE HB2 122 TYR HB3 4.50
&rst iat=1137,1830, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 ILE HA 77 ILE QPG 3.50
&rst iat=1155, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1163,1164, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 77 ILE HB 77 ILE MD 4.50
&rst iat=1157, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1166,1167,1168, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 77 ILE HA 78 ASN HN 4.20
&rst iat=1155,1172, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 77 ILE QPG 120 PHE HB3 3.50
&rst iat= -1,1803, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1=1163,1164, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 77 ILE HA 122 TYR HA 4.50
&rst iat=1155,1827, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 77 ILE HA 122 TYR HB2 4.50
&rst iat=1155,1829, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 79 THR HB 120 PHE HA 3.50
&rst iat=1190,1800, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 80 ASN HA 80 ASN HB2 4.50
&rst iat=1202,1204, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 80 ASN HA 80 ASN HB3 4.50
&rst iat=1202,1205, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 80 ASN HB3 85 HISP HD 5.50
&rst iat=1205,1284, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 81 LYS HA 81 LYS QPB 4.50
&rst iat=1216, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1218,1219, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 81 LYS HA 81 LYS QPG 5.50
&rst iat=1216, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1221,1222, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 81 LYS HA 114 VAL MG2 5.78
&rst iat=1216, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1714,1715,1716, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 81 LYS HA 115 PRO QPB 5.50
&rst iat=1216, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1727,1728, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 81 LYS HA 115 PRO QPD 5.50
&rst iat=1216, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1721,1722, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 82 GLY HA2 114 VAL MG2 5.50
&rst iat=1238, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1714,1715,1716, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 83 PHE HA 83 PHE HB2 4.50
&rst iat=1245,1247, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 83 PHE HA 83 PHE HB3 4.50
&rst iat=1245,1248, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 83 PHE HA 83 PHE CZ 5.50
&rst iat=1245, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1253,1257, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 83 PHE HA 114 VAL MG2 5.50
&rst iat=1245, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1714,1715,1716, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 83 PHE HA 140 ILE MD 5.62
&rst iat=1245, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2129,2130,2131, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 83 PHE HB3 140 ILE MD 5.50
&rst iat=1248, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2129,2130,2131, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 84 GLY HA2 111 PHE HB2 4.50 ## loosened 3/25/96.
&rst iat=1265,1663, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 84 GLY HA3 114 VAL MG2 5.51
&rst iat=1266, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1714,1715,1716, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 84 GLY HA2 114 VAL MG2 5.62
&rst iat=1265, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1714,1715,1716, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 85 HISP HA 85 HISP HB2 4.50
&rst iat=1272,1274, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 85 HISP HA 86 SER HN 4.20
&rst iat=1272,1288, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 85 HISP HB2 86 SER HN 4.20
&rst iat=1274,1288, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
## 85 HISP HA 110 GLY HA2 4.50 3/25/96.
## &rst iat=1272,1654, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 85 HISP HA 140 ILE MD 5.50
&rst iat=1272, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2129,2130,2131, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 86 SER HB2 86 SER HA 4.50
&rst iat=1292,1290, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 86 SER HB3 86 SER HA 4.50
&rst iat=1293,1290, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 86 SER HA 87 PHE HN 4.20
&rst iat=1290,1299, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 86 SER HB2 87 PHE HN 5.50
&rst iat=1292,1299, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 SER HB2 111 PHE CZ 6.45
&rst iat=1292, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1669,1673, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 86 SER HB3 111 PHE CZ 6.76
&rst iat=1293, -1, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1669,1673, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 86 SER HB2 140 ILE MD 6.39
&rst iat=1292, -1, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2129,2130,2131, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 87 PHE HA 87 PHE HB2 4.50
&rst iat=1301,1303, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 87 PHE HA 87 PHE HB3 4.50
&rst iat=1301,1304, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 87 PHE HA 87 PHE HN 5.50
&rst iat=1301,1299, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 PHE HA 88 ASP HN 5.50
&rst iat=1301,1319, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 PHE HB2 109 THR MG 5.50
&rst iat=1303, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1644,1645,1646, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 88 ASP HB3 88 ASP HA 5.50
&rst iat=1324,1321, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
## 88 ASP HB2 105 ILE HB 4.50 3/25/96.
## &rst iat=1323,1590, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 88 ASP HB2 105 ILE MD 5.50
&rst iat=1323, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1599,1600,1601, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 88 ASP HB2 105 ILE MG 5.50
&rst iat=1323, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1592,1593,1594, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 88 ASP HB3 105 ILE MD 5.50
&rst iat=1324, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1599,1600,1601, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 88 ASP HB3 105 ILE MG 5.50
&rst iat=1324, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1592,1593,1594, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
## 88 ASP HA 107 ALA MB 3.50 3/25/96.
## &rst iat=1321, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
## igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
## igr2=1625,1626,1627, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 88 ASP HA 108 GLY HA3 4.50
&rst iat=1321,1634, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 88 ASP HA 108 GLY HA2 4.50
&rst iat=1321,1633, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 88 ASP HB2 137 VAL MG2 5.50
&rst iat=1323, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2081,2082,2083, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 88 ASP HB3 137 VAL MG2 5.50
&rst iat=1324, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2081,2082,2083, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 89 ILE HA 89 ILE HB 4.50
&rst iat=1334,1336, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 89 ILE HA 89 ILE MG 5.50
&rst iat=1334, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1338,1339,1340, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 89 ILE MD 89 ILE HB 5.50
&rst iat= -1,1336, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1345,1346,1347, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 89 ILE QPG 89 ILE HB 4.50
&rst iat= -1,1336, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1342,1343, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 89 ILE MG 89 ILE HB 5.50
&rst iat= -1,1336, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1338,1339,1340, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 89 ILE MG 89 ILE MD 6.32
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.88, r4= 8.38,
igr1=1338,1339,1340, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1345,1346,1347, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 89 ILE HA 90 THR HN 4.20
&rst iat=1334,1351, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 89 ILE HB 105 ILE MD 5.50
&rst iat=1336, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1599,1600,1601, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 89 ILE MG 105 ILE MG 5.73
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr1=1338,1339,1340, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1592,1593,1594, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 89 ILE MG 106 VAL HB 5.50
&rst iat= -1,1609, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1338,1339,1340, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 89 ILE MG 106 VAL MG2 6.46
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53,
igr1=1338,1339,1340, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1615,1616,1617, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 89 ILE MD 107 ALA MB 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1=1345,1346,1347, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1625,1626,1627, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 89 ILE MG 107 ALA MB 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1=1338,1339,1340, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1625,1626,1627, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 89 ILE MG 125 PHE CG 7.40
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1338,1339,1340, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1881,1889, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 89 ILE MG 127 TRP HH 6.02
&rst iat= -1,1922, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1=1338,1339,1340, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 89 ILE MG 134 TYR HB3 5.57
&rst iat= -1,2013, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1=1338,1339,1340, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 89 ILE HA 136 TYR HA 4.50
&rst iat=1334,2052, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 89 ILE HA 136 TYR QPB 5.50
&rst iat=1334, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2054,2055, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 89 ILE MG 136 TYR QPB 6.07
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr1=1338,1339,1340, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2054,2055, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 89 ILE HA 137 VAL MG1 5.62
&rst iat=1334, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2077,2078,2079, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 89 ILE MD 152 ILE MD 7.13
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
igr1=1345,1346,1347, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2295,2296,2297, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 89 ILE MG 152 ILE MD 6.53
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.11, r4= 8.61,
igr1=1338,1339,1340, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2295,2296,2297, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 89 ILE MG 152 ILE QPG 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr1=1338,1339,1340, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2292,2293, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 90 THR HA 90 THR MG 5.50
&rst iat=1353, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1357,1358,1359, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 90 THR HB 90 THR HA 3.50
&rst iat=1355,1353, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 90 THR HB 90 THR MG 5.50
&rst iat=1355, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1357,1358,1359, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 90 THR MG 90 THR HN 5.73
&rst iat= -1,1351, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1=1357,1358,1359, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 90 THR MG 102 ILE HA 5.50
&rst iat= -1,1542, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1357,1358,1359, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 90 THR MG 102 ILE MG 5.92
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
igr1=1357,1358,1359, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1546,1547,1548, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 90 THR HA 105 ILE HA 5.50
&rst iat=1353,1588, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 90 THR HB 105 ILE HB 4.50 ## loosened 3/25/96.
&rst iat=1355,1590, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 90 THR HB 105 ILE QPG 4.50
&rst iat=1355, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1596,1597, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 90 THR MG 105 ILE HA 5.78
&rst iat= -1,1588, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=1357,1358,1359, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 90 THR MG 105 ILE MD 6.31
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
igr1=1357,1358,1359, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1599,1600,1601, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 90 THR MG 105 ILE MG 6.32
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.88, r4= 8.38,
igr1=1357,1358,1359, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1592,1593,1594, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 90 THR HA 106 VAL HB 4.50
&rst iat=1353,1609, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 90 THR HA 106 VAL MG2 5.50
&rst iat=1353, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1615,1616,1617, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 90 THR HB 106 VAL HB 4.50
&rst iat=1355,1609, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 90 THR MG 135 TYR HB2 5.50
&rst iat= -1,2033, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1357,1358,1359, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 90 THR HB 137 VAL MG2 5.50
&rst iat=1355, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2081,2082,2083, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 90 THR MG 137 VAL MG1 5.99
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
igr1=1357,1358,1359, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2077,2078,2079, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 90 THR MG 137 VAL MG2 6.38
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,
igr1=1357,1358,1359, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2081,2082,2083, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 91 LYS HA 91 LYS HB3 3.50
&rst iat=1367,1370, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 91 LYS HA 91 LYS QPG 4.50
&rst iat=1367, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1372,1373, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 91 LYS QPE 91 LYS HB2 3.50
&rst iat= -1,1369, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1=1378,1379, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 91 LYS QPG 91 LYS QPE 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1=1372,1373, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1378,1379, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 91 LYS HA 134 TYR HA 4.50
&rst iat=1367,2010, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 91 LYS HA 134 TYR CG 6.09
&rst iat=1367, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2016,2025, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 91 LYS HA 135 TYR HA 4.50
&rst iat=1367,2031, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 92 LYS HA 92 LYS QPB 4.50
&rst iat=1389, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1391,1392, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 92 LYS HA 92 LYS QPG 4.50
&rst iat=1389, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1394,1395, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 92 LYS QPE 92 LYS QPD 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1=1400,1401, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1397,1398, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 93 GLY HA3 94 PRO QPD 5.50
&rst iat=1412, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1417,1418, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 93 GLY HA2 94 PRO QPD 5.50
&rst iat=1411, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1417,1418, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 94 PRO HA 94 PRO QPB 5.50
&rst iat=1426, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1423,1424, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 94 PRO QPB 94 PRO QPG 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1=1423,1424, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1420,1421, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 94 PRO QPD 94 PRO QPG 5.64
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1=1417,1418, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1420,1421, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 94 PRO HA 95 CPRO HA 4.50
&rst iat=1426,1440, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 94 PRO QPB 95 CPRO HA 5.50
&rst iat= -1,1440, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1423,1424, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 94 PRO QPD 135 TYR HB2 5.63
&rst iat= -1,2033, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1=1417,1418, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 95 CPRO HA 95 CPRO QPB 5.50
&rst iat=1440, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1437,1438, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 95 CPRO QPD 95 CPRO QPG 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1=1431,1432, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1434,1435, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 95 CPRO QPG 95 CPRO HA 5.50
&rst iat= -1,1440, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1434,1435, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 95 CPRO QPG 95 CPRO QPB 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1=1434,1435, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1437,1438, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 96 TYR HA 96 TYR HB2 4.50
&rst iat=1446,1448, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 96 TYR HA 96 TYR HB3 4.50
&rst iat=1446,1449, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 96 TYR HA 96 TYR CG 5.50
&rst iat=1446, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1452,1461, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 96 TYR HA 144 ALA MB 4.50
&rst iat=1446, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2177,2178,2179, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 96 TYR HB2 144 ALA MB 3.50
&rst iat=1448, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2177,2178,2179, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 96 TYR HB3 144 ALA MB 4.50
&rst iat=1449, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2177,2178,2179, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 96 TYR CG 144 ALA MB 6.15
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.68, r4= 8.18,
igr1=1452,1461, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2177,2178,2179, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 97 ALA HA 97 ALA MB 3.50
&rst iat=1467, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1469,1470,1471, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 97 ALA HA 145 ALA MB 3.50
&rst iat=1467, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2187,2188,2189, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 98 VAL HA 98 VAL HB 4.50
&rst iat=1477,1479, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 98 VAL HA 98 VAL MG1 5.50
&rst iat=1477, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1481,1482,1483, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 98 VAL HA 98 VAL MG2 5.50
&rst iat=1477, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1485,1486,1487, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 98 VAL HB 98 VAL MG1 4.50
&rst iat=1479, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1481,1482,1483, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 98 VAL MG2 98 VAL HB 4.50
&rst iat= -1,1479, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1485,1486,1487, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 98 VAL MG1 141 PRO HA 6.02
&rst iat= -1,2145, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1=1481,1482,1483, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 98 VAL HA 142 GLY HA3 4.50
&rst iat=1477,2152, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 98 VAL HA 142 GLY HA2 4.50
&rst iat=1477,2151, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 98 VAL MG1 142 GLY HA3 5.93
&rst iat= -1,2152, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1481,1482,1483, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 98 VAL MG1 142 GLY HA2 5.50
&rst iat= -1,2151, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1481,1482,1483, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 98 VAL MG2 142 GLY HA2 5.67
&rst iat= -1,2151, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1=1485,1486,1487, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 98 VAL HA 145 ALA MB 4.50
&rst iat=1477, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2187,2188,2189, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 98 VAL HB 145 ALA MB 4.50
&rst iat=1479, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2187,2188,2189, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 98 VAL MG1 145 ALA MB 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1=1481,1482,1483, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2187,2188,2189, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 98 VAL MG2 145 ALA HA 5.50
&rst iat= -1,2185, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1485,1486,1487, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 98 VAL MG2 145 ALA MB 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1=1485,1486,1487, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2187,2188,2189, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 99 MET HA 99 MET QPB 4.50
&rst iat=1493, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1495,1496, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 99 MET HA 99 MET ME 4.50
&rst iat=1493, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1504,1505,1506, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 99 MET HA 99 MET QPG 5.50
&rst iat=1493, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1498,1498, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 99 MET ME 99 MET QPG 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr1=1504,1505,1506, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1498,1498, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 99 MET QPG 99 MET QPB 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1=1498,1498, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1495,1496, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 99 MET HA 100 PRO QPD 5.50
&rst iat=1493, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1511,1512, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 100 PRO HA 100 PRO QPB 4.50
&rst iat=1520, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1517,1518, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 100 PRO HA 100 PRO QPD 5.50
&rst iat=1520, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1511,1512, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 100 PRO QPD 100 PRO QPG 5.58
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1=1511,1512, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1514,1515, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 100 PRO QPG 100 PRO HA 4.50
&rst iat= -1,1520, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1514,1515, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 100 PRO HA 139 GLN QPG 5.50
&rst iat=1520, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2106,2107, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 100 PRO QPG 139 GLN HA 4.50
&rst iat= -1,2101, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1514,1515, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 100 PRO QPG 141 PRO QPD 6.52
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1514,1515, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2136,2137, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 101 VAL HA 101 VAL HB 4.50
&rst iat=1526,1528, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 101 VAL HA 101 VAL MG2 4.50
&rst iat=1526, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1534,1535,1536, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 101 VAL HB 101 VAL MG2 4.50
&rst iat=1528, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1534,1535,1536, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 101 VAL MG1 101 VAL HA 4.50
&rst iat= -1,1526, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1530,1531,1532, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 102 ILE HA 102 ILE HB 3.50
&rst iat=1542,1544, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 102 ILE HA 102 ILE MD 5.77
&rst iat=1542, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1553,1554,1555, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 102 ILE HA 102 ILE QPG 4.50
&rst iat=1542, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1550,1551, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 102 ILE HA 102 ILE MG 5.50
&rst iat=1542, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1546,1547,1548, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 102 ILE HB 102 ILE MD 5.50
&rst iat=1544, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1553,1554,1555, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 102 ILE QPG 102 ILE HB 4.50
&rst iat= -1,1544, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1550,1551, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 102 ILE QPG 102 ILE MD 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr1=1550,1551, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1553,1554,1555, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 102 ILE QPG 102 ILE MG 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr1=1550,1551, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1546,1547,1548, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 102 ILE MG 102 ILE HB 5.50
&rst iat= -1,1544, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1546,1547,1548, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 102 ILE MG 102 ILE MD 5.87
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr1=1546,1547,1548, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1553,1554,1555, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 102 ILE MD 139 GLN HB3 5.50
&rst iat= -1,2104, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1553,1554,1555, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 102 ILE MD 139 GLN QPG 6.27
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,
igr1=1553,1554,1555, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2106,2107, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 102 ILE MG 139 GLN HB2 4.50
&rst iat= -1,2103, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1546,1547,1548, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 102 ILE MG 139 GLN HB3 5.50
&rst iat= -1,2104, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1546,1547,1548, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 102 ILE MD 139 GLN QPG 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr1=1553,1554,1555, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2106,2107, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 102 ILE MG 139 GLN QPG 6.10
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.42, r4= 7.92,
igr1=1546,1547,1548, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2106,2107, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 103 ASP HA 103 ASP HB2 4.50
&rst iat=1561,1563, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 103 ASP HA 103 ASP HB3 4.50
&rst iat=1561,1564, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 104 PRO HA 104 PRO QPB 4.50
&rst iat=1582, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1579,1580, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 104 PRO HA 104 PRO QPG 5.50
&rst iat=1582, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1576,1577, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 104 PRO QPD 104 PRO QPG 5.55
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1=1573,1574, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1576,1577, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 104 PRO QPG 104 PRO QPB 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1=1576,1577, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1579,1580, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 105 ILE HA 105 ILE HB 4.50
&rst iat=1588,1590, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 105 ILE HA 105 ILE MG 5.50
&rst iat=1588, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1592,1593,1594, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 105 ILE MD 105 ILE HA 5.50
&rst iat= -1,1588, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1599,1600,1601, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 105 ILE MG 105 ILE HB 5.50
&rst iat= -1,1590, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1592,1593,1594, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 105 ILE HA 106 VAL HN 5.50
&rst iat=1588,1605, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 105 ILE MG 106 VAL HN 5.50
&rst iat= -1,1605, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1592,1593,1594, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 105 ILE MG 106 VAL MG2 6.28
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1=1592,1593,1594, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1615,1616,1617, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 105 ILE MG 107 ALA HN 5.50
&rst iat= -1,1621, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1592,1593,1594, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 105 ILE MG 137 VAL MG2 5.94
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr1=1592,1593,1594, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2081,2082,2083, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 106 VAL HA 106 VAL HB 3.50
&rst iat=1607,1609, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 106 VAL HA 106 VAL MG2 4.50
&rst iat=1607, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1615,1616,1617, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 106 VAL HB 106 VAL MG1 5.50
&rst iat=1609, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1611,1612,1613, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 106 VAL MG2 106 VAL HB 4.50
&rst iat= -1,1609, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1615,1616,1617, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 107 ALA HA 107 ALA HN 5.50
&rst iat=1623,1621, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 107 ALA HA 107 ALA MB 3.50
&rst iat=1623, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1625,1626,1627, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 107 ALA MB 125 PHE CG 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1=1625,1626,1627, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1881,1889, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 107 ALA MB 125 PHE CZ 5.71
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr1=1625,1626,1627, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1883,1887, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 107 ALA MB 127 TRP HB2 3.50
&rst iat= -1,1911, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1=1625,1626,1627, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 107 ALA MB 127 TRP HB3 3.50 ## loosened 3/25/96.
&rst iat= -1,1912, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1625,1626,1627, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 109 THR HA 109 THR MG 5.50
&rst iat=1640, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1644,1645,1646, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 109 THR HB 109 THR HA 4.50
&rst iat=1642,1640, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 109 THR HB 109 THR MG 5.50
&rst iat=1642, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1644,1645,1646, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 109 THR MG 123 THR MG 5.99
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
igr1=1644,1645,1646, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1852,1853,1854, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 111 PHE HA 111 PHE HB2 4.50
&rst iat=1661,1663, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 111 PHE HA 111 PHE HB3 4.50
&rst iat=1661,1664, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 111 PHE HA 112 SER HN 4.20
&rst iat=1661,1679, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 112 SER HA 112 SER HB3 4.50
&rst iat=1681,1684, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 112 SER HB2 112 SER HA 4.50
&rst iat=1683,1681, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 112 SER HB3 112 SER HN 5.50
&rst iat=1684,1679, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 112 SER HA 113 PRO QPD 4.50
&rst iat=1681, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1691,1692, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 112 SER HB2 113 PRO QPD 5.50
&rst iat=1683, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1691,1692, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 113 PRO HA 113 PRO QPB 4.50
&rst iat=1700, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1697,1698, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 113 PRO HA 113 PRO QPD 5.50
&rst iat=1700, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1691,1692, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 113 PRO QPD 113 PRO QPB 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1=1691,1692, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1697,1698, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 113 PRO QPD 113 PRO QPG 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1=1691,1692, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1694,1695, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 114 VAL HA 114 VAL HB 3.50
&rst iat=1706,1708, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 114 VAL HA 114 VAL MG2 5.50
&rst iat=1706, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1714,1715,1716, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 114 VAL MG1 114 VAL HB 4.50
&rst iat= -1,1708, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1710,1711,1712, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 114 VAL MG2 114 VAL HB 5.50
&rst iat= -1,1708, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1714,1715,1716, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 114 VAL HA 115 PRO QPD 5.50
&rst iat=1706, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1721,1722, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 114 VAL HB 115 PRO QPD 5.50
&rst iat=1708, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1721,1722, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 114 VAL MG1 115 PRO QPD 6.33
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.67, r4= 8.17,
igr1=1710,1711,1712, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1721,1722, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 114 VAL MG2 115 PRO QPD 6.34
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.68, r4= 8.18,
igr1=1714,1715,1716, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1721,1722, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 115 PRO HA 115 PRO QPB 5.50
&rst iat=1730, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1727,1728, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 115 PRO HA 115 PRO QPG 5.50
&rst iat=1730, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1724,1725, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 115 PRO QPD 115 PRO HA 5.50
&rst iat= -1,1730, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1721,1722, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 115 PRO QPD 115 PRO QPG 5.95
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
igr1=1721,1722, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1724,1725, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 116 LYS HA 116 LYS HB2 3.50
&rst iat=1736,1738, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 116 LYS HA 116 LYS HB3 3.50
&rst iat=1736,1739, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 116 LYS QPE 116 LYS QPD 4.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1747,1748, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1744,1745, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 116 LYS QPE 116 LYS QPG 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1=1747,1748, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1741,1742, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 116 LYS QPG 116 LYS HA 4.50
&rst iat= -1,1736, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1741,1742, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 117 ASP QPB 117 ASP HA 4.50
&rst iat= -1,1758, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1760,1761, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 119 LYS HA 119 LYS HB2 4.50
&rst iat=1778,1780, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 119 LYS HA 119 LYS HB3 4.50
&rst iat=1778,1781, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 119 LYS HA 119 LYS QPG 5.50
&rst iat=1778, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1783,1784, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 119 LYS HB2 119 LYS QPG 4.50
&rst iat=1780, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1783,1784, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 119 LYS HA 120 PHE HN 5.50
&rst iat=1778,1798, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 120 PHE HA 120 PHE HB3 4.50
&rst iat=1800,1803, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 120 PHE HA 120 PHE CG 5.50
&rst iat=1800, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1806,1814, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 120 PHE HB3 120 PHE CZ 5.50
&rst iat=1803, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1808,1812, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 120 PHE HA 121 GLY HN 4.20
&rst iat=1800,1818, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 121 GLY HA3 122 TYR HN 5.50
&rst iat=1821,1825, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 122 TYR HA 122 TYR HB2 4.50
&rst iat=1827,1829, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 122 TYR HA 122 TYR HB3 4.50
&rst iat=1827,1830, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 122 TYR HA 123 THR HN 5.50
&rst iat=1827,1846, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 123 THR HA 123 THR HN 5.50
&rst iat=1848,1846, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 123 THR HA 123 THR MG 5.50
&rst iat=1848, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1852,1853,1854, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 123 THR HB 123 THR HA 4.50
&rst iat=1850,1848, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 123 THR HB 123 THR MG 5.50
&rst iat=1850, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1852,1853,1854, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
## 123 THR MG 125 PHE CG 7.29 3/25/96.
## &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.96, r4= 9.46,
## igr1=1852,1853,1854, 0, 0, 0, 0, 0, 0, 0, 0, 0,
## igr2=1881,1889, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 124 ASP HA 124 ASP HB2 4.50
&rst iat=1862,1864, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 124 ASP HA 124 ASP HB3 4.50
&rst iat=1862,1865, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 124 ASP HA 125 PHE HN 4.20
&rst iat=1862,1873, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 125 PHE HA 125 PHE CG 5.50
&rst iat=1875, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1881,1889, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 125 PHE HB2 125 PHE HA 4.50
&rst iat=1877,1875, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 125 PHE HB3 125 PHE HA 4.50
&rst iat=1878,1875, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 126 THR HA 126 THR MG 5.50
&rst iat=1895, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1899,1900,1901, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 126 THR HB 126 THR HA 4.50
&rst iat=1897,1895, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 126 THR HB 126 THR HN 5.50
&rst iat=1897,1893, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 126 THR HB 126 THR MG 4.50
&rst iat=1897, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1899,1900,1901, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 126 THR HA 127 TRP HN 4.20
&rst iat=1895,1907, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 126 THR MG 127 TRP HN 5.65
&rst iat= -1,1907, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1=1899,1900,1901, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 127 TRP HA 127 TRP HB2 4.50
&rst iat=1909,1911, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 127 TRP HA 127 TRP HB3 4.50
&rst iat=1909,1912, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 127 TRP HA 127 TRP HD 4.50
&rst iat=1909,1915, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 127 TRP HH 152 ILE MD 5.61
&rst iat=1922, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2295,2296,2297, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 127 TRP HH 152 ILE MG 5.50
&rst iat=1922, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2288,2289,2290, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 127 TRP HZ2 152 ILE MD 5.50
&rst iat=1920, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2295,2296,2297, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 127 TRP HZ2 152 ILE MG 5.50
&rst iat=1920, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2288,2289,2290, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 128 HISP HA 128 HISP QPB 4.50
&rst iat=1933, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1935,1936, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 129 PRO HA 129 PRO QPB 5.50
&rst iat=1959, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1956,1957, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 129 PRO HA 129 PRO QPG 5.50
&rst iat=1959, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1953,1954, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 129 PRO QPD 129 PRO QPB 6.26
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86,
igr1=1950,1951, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1956,1957, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 129 PRO QPD 129 PRO QPG 5.91
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1=1950,1951, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1953,1954, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 129 PRO QPG 129 PRO QPB 6.15
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
igr1=1953,1954, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1956,1957, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 129 PRO HA 154 VAL MG1 5.50
&rst iat=1959, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2323,2324,2325, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 129 PRO QPB 154 VAL MG1 5.59
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr1=1956,1957, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2323,2324,2325, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 129 PRO QPB 154 VAL MG2 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr1=1956,1957, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2327,2328,2329, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 129 PRO QPG 154 VAL MG1 5.75
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1=1953,1954, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2323,2324,2325, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 129 PRO QPG 154 VAL MG2 6.48
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
igr1=1953,1954, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2327,2328,2329, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 130 THR HB 130 THR MG 4.50
&rst iat=1967, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1969,1970,1971, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 130 THR HA 154 VAL MG2 5.50
&rst iat=1965, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2327,2328,2329, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 131 ALA MB 131 ALA HA 3.50
&rst iat= -1,1979, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1=1981,1982,1983, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 131 ALA HA 154 VAL HB 3.50
&rst iat=1979,2321, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 131 ALA HA 154 VAL MG1 5.50
&rst iat=1979, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2323,2324,2325, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 131 ALA MB 154 VAL HB 4.50
&rst iat= -1,2321, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1981,1982,1983, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 131 ALA MB 154 VAL MG1 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1=1981,1982,1983, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2323,2324,2325, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 131 ALA MB 155 LYS HA 3.50
&rst iat= -1,2335, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1=1981,1982,1983, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 131 ALA MB 155 LYS QPB 4.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1=1981,1982,1983, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2337,2338, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 132 GLY HA2 153 VAL MG1 4.50
&rst iat=1989, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2307,2308,2309, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 133 THR HA 133 THR MG 5.50
&rst iat=1996, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2000,2001,2002, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 133 THR HB 133 THR HA 4.50
&rst iat=1998,1996, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 133 THR HB 133 THR MG 5.50
&rst iat=1998, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2000,2001,2002, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 133 THR MG 134 TYR HN 6.20
&rst iat= -1,2008, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
igr1=2000,2001,2002, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 133 THR MG 151 LYS HA 5.50
&rst iat= -1,2262, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=2000,2001,2002, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 133 THR HA 153 VAL HA 3.50
&rst iat=1996,2303, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 134 TYR HA 134 TYR HB2 4.50
&rst iat=2010,2012, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 134 TYR HA 134 TYR HB3 4.50
&rst iat=2010,2013, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 134 TYR HA 134 TYR CG 5.50
&rst iat=2010, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2016,2025, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 134 TYR HA 152 ILE HB 4.50
&rst iat=2010,2286, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 134 TYR HB3 152 ILE MD 6.01
&rst iat=2013, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2295,2296,2297, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 134 TYR CG 152 ILE MD 8.05
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
igr1=2016,2025, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2295,2296,2297, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 134 TYR CG 152 ILE MG 7.59
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.30, r4= 9.80,
igr1=2016,2025, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2288,2289,2290, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 134 TYR CG 154 VAL MG2 6.83
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.45, r4= 8.95,
igr1=2016,2025, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2327,2328,2329, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 134 TYR CZ 154 VAL HB 5.80
&rst iat= -1,2321, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=2018,2023, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 135 TYR HA 135 TYR HB3 4.50
&rst iat=2031,2034, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 135 TYR HA 136 TYR HN 5.50
&rst iat=2031,2050, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 135 TYR HA 151 LYS HA 4.50
&rst iat=2031,2262, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 135 TYR CG 151 LYS QPE 7.79
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.28, r4= 9.78,
igr1=2037,2046, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2273,2274, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 137 VAL HA 137 VAL HB 4.50
&rst iat=2073,2075, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 137 VAL HA 137 VAL MG1 5.50
&rst iat=2073, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2077,2078,2079, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 137 VAL HB 137 VAL MG2 5.50
&rst iat=2075, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2081,2082,2083, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 137 VAL MG1 137 VAL HB 5.50
&rst iat= -1,2075, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=2077,2078,2079, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 137 VAL HA 138 CYS HN 5.50
&rst iat=2073,2087, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 137 VAL MG1 138 CYS HN 5.50
&rst iat= -1,2087, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=2077,2078,2079, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 137 VAL HB 144 ALA HA 3.50
&rst iat=2075,2175, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 137 VAL MG1 144 ALA MB 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1=2077,2078,2079, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2177,2178,2179, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 137 VAL HA 149 PHE HA 5.50
&rst iat=2073,2235, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 137 VAL MG1 149 PHE HA 6.07
&rst iat= -1,2235, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1=2077,2078,2079, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 137 VAL MG1 149 PHE HB2 5.50
&rst iat= -1,2237, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=2077,2078,2079, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 137 VAL MG1 149 PHE HB3 5.50
&rst iat= -1,2238, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=2077,2078,2079, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 138 CYS HA 139 GLN HN 5.50
&rst iat=2089,2099, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 138 CYS HB2 148 MET ME 4.50
&rst iat=2091, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2227,2228,2229, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 138 CYS HB3 148 MET ME 3.50
&rst iat=2092, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2227,2228,2229, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 139 GLN HA 139 GLN HB3 3.50
&rst iat=2101,2104, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 139 GLN QPG 139 GLN HA 5.50
&rst iat= -1,2101, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2106,2107, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 139 GLN QPG 139 GLN HB3 4.50
&rst iat= -1,2104, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=2106,2107, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 140 ILE HA 140 ILE MD 5.71
&rst iat=2118, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2129,2130,2131, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 140 ILE HA 140 ILE QPG 4.50
&rst iat=2118, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2126,2127, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 140 ILE HA 140 ILE MG 5.79
&rst iat=2118, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2122,2123,2124, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 140 ILE MD 140 ILE HB 4.50
&rst iat= -1,2120, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=2129,2130,2131, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 140 ILE MD 140 ILE QPG 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr1=2129,2130,2131, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2126,2127, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 140 ILE MG 140 ILE HB 5.50
&rst iat= -1,2120, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=2122,2123,2124, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 140 ILE MG 140 ILE MD 6.13
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.68, r4= 8.18,
igr1=2122,2123,2124, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2129,2130,2131, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 140 ILE MG 140 ILE QPG 5.97
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=2122,2123,2124, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2126,2127, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 140 ILE HA 141 PRO QPD 5.50
&rst iat=2118, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2136,2137, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 140 ILE MG 141 PRO QPD 6.68
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.04, r4= 8.54,
igr1=2122,2123,2124, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2136,2137, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 140 ILE MD 143 HISP HE 5.62
&rst iat= -1,2165, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=2129,2130,2131, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 141 PRO HA 141 PRO QPB 5.50
&rst iat=2145, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2142,2143, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 141 PRO HA 141 PRO QPG 5.50
&rst iat=2145, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2139,2140, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 141 PRO QPD 141 PRO QPG 5.70
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1=2136,2137, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2139,2140, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 142 GLY HA2 145 ALA MB 4.50
&rst iat=2151, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2187,2188,2189, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 143 HISP HA 143 HISP HB2 4.50
&rst iat=2158,2160, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 143 HISP HA 143 HISP HD 4.50
&rst iat=2158,2169, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
## 143 HISP HA 148 MET ME 3.50 3/25/96.
## &rst iat=2158, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
## igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
## igr2=2227,2228,2229, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
## 143 HISP HA 148 MET QPG 5.50 3/25/96.
## &rst iat=2158, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
## igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
## igr2=2221,2221, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 144 ALA HA 144 ALA MB 3.50
&rst iat=2175, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2177,2178,2179, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 144 ALA MB 144 ALA HN 5.50
&rst iat= -1,2173, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=2177,2178,2179, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 144 ALA MB 149 PHE HB2 4.50
&rst iat= -1,2237, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=2177,2178,2179, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 144 ALA MB 149 PHE HB3 4.50
&rst iat= -1,2238, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=2177,2178,2179, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 145 ALA HA 145 ALA MB 3.50
&rst iat=2185, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2187,2188,2189, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 145 ALA MB 145 ALA HN 5.50
&rst iat= -1,2183, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=2187,2188,2189, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 146 THR HA 146 THR MG 5.50
&rst iat=2195, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2199,2200,2201, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 146 THR HB 146 THR HA 3.50
&rst iat=2197,2195, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 146 THR HB 146 THR MG 5.50
&rst iat=2197, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2199,2200,2201, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 148 MET HA 148 MET HB2 4.50
&rst iat=2216,2218, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 148 MET HA 148 MET QPG 5.50
&rst iat=2216, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2221,2221, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 148 MET ME 148 MET HB3 3.50
&rst iat= -1,2219, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1=2227,2228,2229, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 148 MET ME 148 MET QPG 4.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1=2227,2228,2229, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2221,2221, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 148 MET HA 149 PHE CZ 6.48
&rst iat=2216, -1, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2243,2247, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
## 148 MET ME 149 PHE HN 4.50 3/25/96.
## &rst iat= -1,2233, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
## igr1=2227,2228,2229, 0, 0, 0, 0, 0, 0, 0, 0, 0,
## igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 149 PHE HA 149 PHE HB2 4.50
&rst iat=2235,2237, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 149 PHE HA 149 PHE HB3 4.50
&rst iat=2235,2238, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 149 PHE HA 149 PHE CG 5.50
&rst iat=2235, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2241,2249, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 149 PHE HA 150 GLY HN 5.50
&rst iat=2235,2253, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 150 GLY HA3 151 LYS HN 5.50
&rst iat=2256,2260, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
## 150 GLY HA3 63 THR MG 4.50 3/25/96.
## &rst iat=2256, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
## igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
## igr2= 957, 958, 959, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 151 LYS HA 151 LYS HB2 4.50
&rst iat=2262,2264, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 151 LYS HA 151 LYS HB3 3.50
&rst iat=2262,2265, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 151 LYS HA 151 LYS QPE 5.50
&rst iat=2262, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2273,2274, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 151 LYS HA 151 LYS QPG 5.50
&rst iat=2262, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2267,2268, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 151 LYS HB2 151 LYS QPD 4.50
&rst iat=2264, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2270,2271, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 151 LYS HB2 151 LYS QPG 4.50
&rst iat=2264, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2267,2268, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 151 LYS HA 152 ILE HN 4.20
&rst iat=2262,2282, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 152 ILE HA 152 ILE MG 5.50
&rst iat=2284, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2288,2289,2290, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 152 ILE HB 152 ILE MD 5.50
&rst iat=2286, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2295,2296,2297, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 152 ILE MD 152 ILE HA 5.95
&rst iat= -1,2284, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1=2295,2296,2297, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 152 ILE MD 152 ILE QPG 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr1=2295,2296,2297, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2292,2293, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 152 ILE MG 152 ILE HB 5.50
&rst iat= -1,2286, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=2288,2289,2290, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 152 ILE MG 152 ILE MD 6.35
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.92, r4= 8.42,
igr1=2288,2289,2290, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2295,2296,2297, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 152 ILE HA 153 VAL HN 4.20
&rst iat=2284,2301, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 152 ILE MG 153 VAL HN 6.07
&rst iat= -1,2301, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1=2288,2289,2290, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 153 VAL HA 153 VAL HB 4.50
&rst iat=2303,2305, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 153 VAL HA 153 VAL MG2 5.50
&rst iat=2303, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2311,2312,2313, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 153 VAL HB 153 VAL MG2 4.50
&rst iat=2305, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2311,2312,2313, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 153 VAL MG2 153 VAL HN 5.84
&rst iat= -1,2301, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1=2311,2312,2313, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 153 VAL HA 154 VAL HN 4.20
&rst iat=2303,2317, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 154 VAL HA 154 VAL MG1 5.50
&rst iat=2319, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2323,2324,2325, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 154 VAL HA 154 VAL MG2 5.50
&rst iat=2319, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2327,2328,2329, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 154 VAL MG1 154 VAL HB 5.50
&rst iat= -1,2321, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=2323,2324,2325, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 154 VAL MG2 154 VAL HB 5.50
&rst iat= -1,2321, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=2327,2328,2329, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 154 VAL MG2 154 VAL HN 6.05
&rst iat= -1,2317, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=2327,2328,2329, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 154 VAL MG1 155 LYS HA 5.50
&rst iat= -1,2335, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=2323,2324,2325, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 155 LYS HA 155 LYS QPB 4.50
&rst iat=2335, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2337,2338, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 155 LYS HA 155 LYS QPD 5.50
&rst iat=2335, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2343,2344, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 155 LYS HA 155 LYS QPG 4.50
&rst iat=2335, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2340,2341, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 155 LYS QPB 155 LYS QPE 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1=2337,2338, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2346,2347, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 155 LYS QPB 155 LYS QPG 4.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=2337,2338, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2340,2341, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 64 LEU HB2 152 ILE MG 5.00
&rst iat= 969, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2288,2289,2290, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 40 VAL HN 74 VAL HA 5.00
&rst iat= 599,1105, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 154 VAL HA 66 ILE HN 5.00
&rst iat=2319,1000, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 142 GLY HN 98 VAL HA 5.00
&rst iat=2149,1477, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 82 GLY HN 114 VAL HB 5.00
&rst iat=1236,1708, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 107 ALA HN 105 ILE MG 5.00
&rst iat=1621, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1592,1593,1594, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 151 LYS HN 63 THR MG 5.00
&rst iat=2260, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 957, 958, 959, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
## 83 PHE HZ 44 ALA MB 5.00 4/10/96.
## &rst iat=1255, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
## igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
## igr2= 655, 656, 657, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 46 LEU QQD 19 LEU QQD 5.00
&rst iat= 683, 292, r1= 1.30, r2= 1.80, r3= 9.40, r4= 9.90, &end
#
# 46 LEU QQD 43 ALA MB 5.00
&rst iat= 683, -1, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 645, 646, 647, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 46 LEU QQD 55 GLU HB3 5.00
&rst iat= 683, 821, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70, &end
#
# 7 TRP HH 7 TRP HZ3 4.00
&rst iat= 98, 100, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 7 TRP HZ2 109 THR HA 5.00
&rst iat= 96,1640, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 7 TRP HZ2 112 SER HB3 5.10
&rst iat= 96,1684, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 7 TRP HD 113 PRO QPD 5.03
&rst iat= 91, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1691,1692, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 7 TRP HE 123 THR HB 5.00
&rst iat= 102,1850, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
## 7 TRP HE 123 THR MG 4.00 3/25/96.
## &rst iat= 102, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
## igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
## igr2=1852,1853,1854, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
## 7 TRP HH 123 THR MG 5.00 3/25/96.
## &rst iat= 98, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
## igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
## igr2=1852,1853,1854, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
## 7 TRP HZ2 123 THR MG 4.00 3/25/96.
## &rst iat= 96, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
## igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
## igr2=1852,1853,1854, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 7 TRP HZ3 123 THR MG 4.00
&rst iat= 100, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1852,1853,1854, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 8 LYS HB2 122 TYR CG 6.20
&rst iat= 111, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1833,1842, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 8 LYS HB3 122 TYR CZ 5.48
&rst iat= 112, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1835,1840, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 10 ALA MB 122 TYR CG 5.56
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 149, 150, 151, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1833,1842, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 10 ALA MB 122 TYR CZ 5.41
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr1= 149, 150, 151, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1835,1840, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 12 LEU HG 120 PHE HZ 4.00
&rst iat= 176,1810, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 15 VAL MG2 120 PHE HZ 4.00
&rst iat= -1,1810, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 229, 230, 231, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 21 LYS HN 41 VAL MG1 5.00
&rst iat= 321, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 621, 622, 623, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 22 ASP QPB 57 HISP HD 5.18
&rst iat= -1, 862, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 347, 348, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 31 VAL MG1 57 HISP HD 5.24
&rst iat= -1, 862, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 466, 467, 468, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 31 VAL MG2 59 LYS HN 5.00
&rst iat= -1, 879, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 470, 471, 472, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 36 LYS HA 70 ALA HN 5.00
&rst iat= 531,1050, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 39 HISP HD 39 HISP HA 4.00
&rst iat= 595, 583, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 39 HISP HA 40 VAL MG2 5.00
&rst iat= 583, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 609, 610, 611, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 39 HISP HA 73 ASP HB2 4.00
&rst iat= 583,1094, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 39 HISP HD 73 ASP HB2 5.00
&rst iat= 595,1094, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 39 HISP HD 75 THR HB 5.00
&rst iat= 595,1123, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 42 ALA MB 87 PHE HZ 5.00
&rst iat= -1,1311, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 635, 636, 637, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 43 ALA HA 77 ILE MD 5.00
&rst iat= 643, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1166,1167,1168, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 45 VAL MG1 51 PHE CG 5.30
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1= 667, 668, 669, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 759, 767, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 45 VAL MG2 51 PHE CG 5.64
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1= 671, 672, 673, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 759, 767, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 45 VAL MG2 85 HISP HE 5.00
&rst iat= -1,1280, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 671, 672, 673, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 46 LEU HB3 49 PHE CZ 5.84
&rst iat= 682, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 727, 731, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 51 PHE HZ 85 HISP HE 5.00
&rst iat= 763,1280, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 51 PHE HZ 143 HISP HE 5.00
&rst iat= 763,2165, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 54 PHE CG 87 PHE HA 5.91
&rst iat= -1,1301, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 804, 812, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 54 PHE HZ 138 CYS HB3 4.00
&rst iat= 808,2092, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 54 PHE HZ 138 CYS HN 5.09
&rst iat= 808,2087, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
## 54 PHE CG 148 MET HB3 5.72 3/25/96.
## &rst iat= -1,2219, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
## igr1= 804, 812, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
## igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 54 PHE CG 148 MET QPG 5.00
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 804, 812, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2221,2221, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 54 PHE CG 149 PHE HB2 5.45
&rst iat= -1,2237, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 804, 812, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 57 HISP HD 57 HISP QPB 5.22
&rst iat= 862, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 852, 853, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 61 ASN HB2 149 PHE CG 5.57
&rst iat= 927, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2241,2249, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 66 ILE MD 127 TRP HE 5.00
&rst iat= -1,1926, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1013,1014,1015, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 66 ILE MD 127 TRP HZ3 5.00
&rst iat= -1,1924, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1013,1014,1015, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 67 PRO QPD 70 ALA HN 5.00
&rst iat= -1,1050, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1=1020,1021, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 70 ALA HN 129 PRO QPD 5.65
&rst iat=1050, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1950,1951, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 71 THR HA 128 HISP HD 5.00
&rst iat=1062,1945, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 72 VAL HB 127 TRP HD 5.00
&rst iat=1078,1915, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 VAL HB 127 TRP HE 4.00
&rst iat=1078,1926, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 72 VAL MG1 127 TRP HE 4.00
&rst iat= -1,1926, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1080,1081,1082, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 72 VAL MG1 127 TRP HZ3 5.00
&rst iat= -1,1924, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1080,1081,1082, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 72 VAL MG2 127 TRP HZ3 5.00
&rst iat= -1,1924, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1084,1085,1086, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 72 VAL HN 128 HISP HD 5.76
&rst iat=1074,1945, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end
#
# 76 PHE CG 76 PHE HZ 5.00
&rst iat= -1,1145, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1=1141,1149, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 76 PHE HA 77 ILE QPG 5.00
&rst iat=1135, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1163,1164, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 76 PHE HN 122 TYR HA 5.00
&rst iat=1133,1827, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 77 ILE MD 122 TYR HA 5.00
&rst iat= -1,1827, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1166,1167,1168, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 77 ILE QPG 122 TYR HA 4.00
&rst iat= -1,1827, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1163,1164, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 79 THR HB 120 PHE HZ 5.50
&rst iat=1190,1810, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 THR MG 120 PHE HZ 5.00
&rst iat= -1,1810, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1192,1193,1194, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 83 PHE HB2 85 HISP HE 5.00
&rst iat=1247,1280, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 83 PHE CG 140 ILE MD 5.49
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1=1251,1259, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2129,2130,2131, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
## 83 PHE HB3 143 HISP HE 5.00 3/25/96.
## &rst iat=1248,2165, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 85 HISP HA 111 PHE CZ 6.93
&rst iat=1272, -1, r1= 1.30, r2= 1.80, r3= 7.71, r4= 8.21,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1669,1673, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
## 85 HISP HE 143 HISP HE 5.00 3/25/96.
## &rst iat=1280,2165, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
## 85 HISP HE 148 MET HB3 5.50 3/25/96.
## &rst iat=1280,2219, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 SER HA 87 PHE HN 5.00
&rst iat=1290,1299, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 86 SER HB2 87 PHE HN 5.00
&rst iat=1292,1299, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 86 SER HB3 87 PHE HN 5.00
&rst iat=1293,1299, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 87 PHE CG 87 PHE HZ 5.54
&rst iat= -1,1311, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1=1307,1315, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 87 PHE HN 87 PHE HA 5.00
&rst iat=1299,1301, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 87 PHE HN 87 PHE HB2 3.70
&rst iat=1299,1303, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 87 PHE HN 87 PHE HB3 5.00
&rst iat=1299,1304, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 87 PHE HN 87 PHE CG 5.14
&rst iat=1299, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1307,1315, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 87 PHE CZ 89 ILE MD 5.89
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.38, r4= 7.88,
igr1=1309,1313, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1345,1346,1347, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 87 PHE HZ 89 ILE MD 5.21
&rst iat=1311, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1345,1346,1347, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 87 PHE HZ 89 ILE QPG 5.06
&rst iat=1311, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1342,1343, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 87 PHE CG 109 THR MG 6.73
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.34, r4= 8.84,
igr1=1307,1315, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1644,1645,1646, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 87 PHE HN 109 THR MG 5.00
&rst iat=1299, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1644,1645,1646, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 87 PHE CZ 125 PHE HZ 5.85
&rst iat= -1,1885, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1=1309,1313, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 87 PHE HA 138 CYS HN 5.00
&rst iat=1301,2087, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 89 ILE MD 125 PHE HZ 5.00
&rst iat= -1,1885, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1345,1346,1347, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
## 89 ILE MG 125 PHE HZ 5.00 3/25/96.
## &rst iat= -1,1885, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
## igr1=1338,1339,1340, 0, 0, 0, 0, 0, 0, 0, 0, 0,
## igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 89 ILE MG 127 TRP HH 5.00
&rst iat= -1,1922, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1338,1339,1340, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 89 ILE MG 127 TRP HZ2 5.00
&rst iat= -1,1920, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1338,1339,1340, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 89 ILE MG 127 TRP HZ3 5.24
&rst iat= -1,1924, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1=1338,1339,1340, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 90 THR HB 107 ALA HN 5.00
&rst iat=1355,1621, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 94 PRO QPB 149 PHE HZ 5.00
&rst iat= -1,2245, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1=1423,1424, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 94 PRO QPG 149 PHE HZ 5.50
&rst iat= -1,2245, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1420,1421, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 96 TYR CG 145 ALA HA 5.47
&rst iat= -1,2185, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1452,1461, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 96 TYR CZ 149 PHE HB3 5.31
&rst iat= -1,2238, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1454,1459, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 105 ILE MG 107 ALA HN 4.00
&rst iat= -1,1621, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1592,1593,1594, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 107 ALA HN 107 ALA MB 5.00
&rst iat=1621, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1625,1626,1627, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 107 ALA MB 125 PHE CG 5.56
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1=1625,1626,1627, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1881,1889, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 107 ALA MB 125 PHE CZ 5.56
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1=1625,1626,1627, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1883,1887, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 109 THR MG 125 PHE HZ 4.00
&rst iat= -1,1885, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1644,1645,1646, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 111 PHE CG 111 PHE HA 5.00
&rst iat= -1,1661, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1=1667,1675, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 111 PHE HZ 139 GLN HB2 4.00
&rst iat=1671,2103, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 111 PHE HZ 139 GLN HB3 4.00
&rst iat=1671,2104, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 111 PHE HZ 140 ILE HA 5.00
&rst iat=1671,2118, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 122 TYR HA 122 TYR HB2 4.00
&rst iat=1827,1829, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 122 TYR HA 122 TYR HB3 4.00
&rst iat=1827,1830, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 125 PHE CG 127 TRP HB3 5.52
&rst iat= -1,1912, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1=1881,1889, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 127 TRP HD 127 TRP HA 4.00
&rst iat=1915,1909, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 127 TRP HD 127 TRP HB2 5.00
&rst iat=1915,1911, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 127 TRP HD 127 TRP HB3 4.00
&rst iat=1915,1912, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 127 TRP HZ3 127 TRP HH 4.00
&rst iat=1924,1922, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 127 TRP HZ3 127 TRP HZ2 5.00
&rst iat=1924,1920, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 127 TRP HH 134 TYR CG 5.34
&rst iat=1922, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2016,2025, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 127 TRP HZ3 134 TYR CZ 5.35
&rst iat=1924, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2018,2023, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 127 TRP HE 152 ILE MG 5.04
&rst iat=1926, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2288,2289,2290, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 127 TRP HH 152 ILE MG 4.00
&rst iat=1922, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2288,2289,2290, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 127 TRP HZ3 152 ILE MD 4.00
&rst iat=1924, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2295,2296,2297, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 127 TRP HZ3 152 ILE MG 4.00
&rst iat=1924, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2288,2289,2290, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 134 TYR CG 134 TYR HN 5.31
&rst iat= -1,2008, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=2016,2025, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 134 TYR HA 135 TYR CG 5.96
&rst iat=2010, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2037,2046, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 134 TYR CG 152 ILE HB 5.57
&rst iat= -1,2286, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=2016,2025, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 134 TYR CG 152 ILE MG 5.09
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1=2016,2025, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2288,2289,2290, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 134 TYR CZ 154 VAL HB 5.36
&rst iat= -1,2321, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=2018,2023, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 134 TYR CZ 154 VAL MG1 5.54
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1=2018,2023, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2323,2324,2325, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 134 TYR CZ 154 VAL MG2 5.13
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=2018,2023, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2327,2328,2329, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 135 TYR CZ 151 LYS QPG 6.94
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.33, r4= 8.83,
igr1=2039,2044, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2267,2268, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 137 VAL HA 138 CYS HN 5.00
&rst iat=2073,2087, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 138 CYS HN 138 CYS HB2 5.00
&rst iat=2087,2091, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 138 CYS HN 138 CYS HB3 5.00
&rst iat=2087,2092, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 138 CYS HN 144 ALA MB 5.00
&rst iat=2087, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2177,2178,2179, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 138 CYS HN 148 MET QPG 5.00
&rst iat=2087, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2221,2221, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 140 ILE HB 143 HISP HD 5.00
&rst iat=2120,2169, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 140 ILE HB 143 HISP HE 5.00
&rst iat=2120,2165, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
## 140 ILE QPG 143 HISP HE 5.00 3/25/96.
## &rst iat= -1,2165, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
## igr1=2126,2127, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
## igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 140 ILE MG 143 HISP HD 4.00
&rst iat= -1,2169, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=2122,2123,2124, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 140 ILE MG 143 HISP HE 5.00
&rst iat= -1,2165, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=2122,2123,2124, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 143 HISP HD 143 HISP HA 4.00
&rst iat=2169,2158, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 146 THR HN 146 THR MG 5.00
&rst iat=2193, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2199,2200,2201, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
## 120 PHE HE 81 LYS HA 5.00 3/25/96.
## &rst iat= -1,1216, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
## igr1=1808,1812, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
## igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 107 ALA HN 90 THR HB 5.00
&rst iat=1621,1355, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 107 ALA HN 106 VAL HA 5.00
&rst iat=1621,1607, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 143 HISP HE 140 ILE MG 5.00
&rst iat=2165, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2122,2123,2124, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 143 HISP HE 140 ILE MD 5.00
&rst iat=2165, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2129,2130,2131, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 54 PHE HE 148 MET QPG 5.00
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 806, 810, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2221,2221, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 96 TYR HE 94 PRO QPD 5.00
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1454,1459, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1417,1418, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
## 51 PHE HE 45 VAL HB 5.00 3/25/96.
## &rst iat= -1, 665, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
## igr1= 761, 765, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
## igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 96 TYR HE 135 TYR HB2 5.00
&rst iat= -1,2033, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1=1454,1459, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 59 LYS HN 58 ASP HA 5.00
&rst iat= 879, 868, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 111 PHE HE 140 ILE MD 5.00
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1669,1673, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2129,2130,2131, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 111 PHE HE 86 SER HB3 5.00
&rst iat= -1,1293, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1=1669,1673, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 111 PHE HE 140 ILE HA 5.00
&rst iat= -1,2118, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1=1669,1673, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 120 PHE HZ 47 PRO QPG 5.00
&rst iat=1810, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 700, 701, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 120 PHE HZ 12 LEU HB2 5.00
&rst iat=1810, 173, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 7 TRP HZ2 109 THR HB 5.00
&rst iat= 96,1642, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 120 PHE HZ 47 PRO QPG 5.00
&rst iat=1810, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 700, 701, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 54 PHE HD 149 PHE HB3 5.00
&rst iat= -1,2238, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 804, 812, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 51 PHE HD 52 CPRO HA 5.00
&rst iat= -1, 781, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 759, 767, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 54 PHE HD 149 PHE HB3 5.00
&rst iat= -1,2238, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 804, 812, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 85 HISP HE 83 PHE HB3 5.00
&rst iat=1280,1248, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
## 85 HISP HE 148 MET QPG 5.00 3/25/96.
## &rst iat=1280, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
## igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
## igr2=2221,2221, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 33 TYR HD 67 PRO QPD 5.00
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 498, 507, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1020,1021, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 74 VAL MG2 125 PHE HZ 5.00
&rst iat= -1,1885, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1113,1114,1115, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 89 ILE QPG 125 PHE HZ 5.00
&rst iat= -1,1885, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1=1342,1343, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 96 TYR HE 137 VAL MG1 5.00
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1454,1459, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2077,2078,2079, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 127 TRP HE 72 VAL MG2 5.00
&rst iat=1926, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1084,1085,1086, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 125 PHE HD 107 ALA MB 5.00
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1881,1889, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1625,1626,1627, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 125 PHE HZ 89 ILE HB 5.00
&rst iat=1885,1336, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 143 HISP HE 140 ILE MD 5.00
&rst iat=2165, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2129,2130,2131, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 125 PHE HZ 89 ILE QPG 5.00
&rst iat=1885, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1342,1343, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 125 PHE HE 89 ILE QPG 5.00
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1883,1887, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1342,1343, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 138 CYS HN 148 MET QPG 5.00
&rst iat=2087, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2221,2221, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 87 PHE HD 109 THR MG 5.00
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1307,1315, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1644,1645,1646, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 87 PHE HD 88 ASP HA 5.00
&rst iat= -1,1321, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1=1307,1315, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 138 CYS HN 148 MET HB2 5.00
&rst iat=2087,2218, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 87 PHE HD 89 ILE QPG 5.00
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1307,1315, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1342,1343, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 127 TRP HZ3 129 PRO QPG 5.00
&rst iat=1924, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1953,1954, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 127 TRP HZ3 154 VAL MG2 5.00
&rst iat=1924, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2327,2328,2329, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 96 TYR HD 96 TYR HA 5.00
&rst iat= -1,1446, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1=1452,1461, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 87 PHE HE 89 ILE QPG 5.00
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1309,1313, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1342,1343, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 127 TRP HH 89 ILE MG 5.00
&rst iat=1922, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1338,1339,1340, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 87 PHE HE 89 ILE QPG 5.00
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1309,1313, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1342,1343, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
## 54 PHE HZ 148 MET HB2 5.00 3/25/96.
## &rst iat= 808,2218, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 127 TRP HH 152 ILE QPG 5.00
&rst iat=1922, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2292,2293, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 127 TRP HH 129 PRO QPB 5.00
&rst iat=1922, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1956,1957, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 15 VAL HB 77 ILE MD 5.50
&rst iat= 223, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1166,1167,1168, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 40 VAL HB 74 VAL MG1 5.00
&rst iat= 603, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1109,1110,1111, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 40 VAL HB 74 VAL MG2 5.00
&rst iat= 603, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1113,1114,1115, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 40 VAL HN 74 VAL MG2 5.00
&rst iat= 599, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1113,1114,1115, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 40 VAL HN 74 VAL HA 5.00
&rst iat= 599,1105, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 40 VAL MG2 74 VAL MG2 5.00
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 609, 610, 611, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1113,1114,1115, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 43 ALA MB 77 ILE MG 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1= 645, 646, 647, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1159,1160,1161, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 72 VAL MG2 73 ASP HN 5.00
&rst iat= -1,1090, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1084,1085,1086, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 73 ASP HB2 126 THR MG 5.00
&rst iat=1094, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1899,1900,1901, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 74 VAL HA 74 VAL MG1 5.00
&rst iat=1105, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1109,1110,1111, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 74 VAL HA 74 VAL MG2 5.00
&rst iat=1105, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1113,1114,1115, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 74 VAL HB 125 PHE CG 5.00
&rst iat=1107, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1881,1889, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 74 VAL HB 125 PHE CZ 5.00
&rst iat=1107, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1883,1887, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 74 VAL HN 125 PHE CG 5.00
&rst iat=1103, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1881,1889, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 74 VAL MG1 74 VAL HB 5.00
&rst iat= -1,1107, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1109,1110,1111, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 74 VAL MG1 74 VAL HN 5.00
&rst iat= -1,1103, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1109,1110,1111, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 74 VAL MG2 74 VAL HB 5.00
&rst iat= -1,1107, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1113,1114,1115, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 74 VAL MG2 74 VAL HN 5.00
&rst iat= -1,1103, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1113,1114,1115, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 74 VAL MG2 125 PHE CZ 5.00
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1113,1114,1115, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1883,1887, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 74 VAL MG2 125 PHE HZ 5.50
&rst iat= -1,1885, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1113,1114,1115, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 74 VAL MG2 75 THR HN 5.00
&rst iat= -1,1119, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1113,1114,1115, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 74 VAL MG2 125 PHE HN 5.50
&rst iat= -1,1873, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1113,1114,1115, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 75 THR HA 75 THR MG 5.00
&rst iat=1121, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1125,1126,1127, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 75 THR HB 75 THR MG 5.00
&rst iat=1123, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1125,1126,1127, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 77 ILE HB 77 ILE MG 5.00
&rst iat=1157, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1159,1160,1161, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 77 ILE MD 77 ILE QPG 5.00
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=1166,1167,1168, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1163,1164, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 77 ILE MG 77 ILE QPG 5.00
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=1159,1160,1161, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1163,1164, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 78 ASN HA 78 ASN HB2 5.00
&rst iat=1174,1176, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 78 ASN HA 78 ASN HB3 5.00
&rst iat=1174,1177, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 79 THR HA 79 THR MG 5.00
&rst iat=1188, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1192,1193,1194, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 79 THR HB 79 THR MG 5.00
&rst iat=1190, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1192,1193,1194, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 79 THR HB 120 PHE CG 5.00
&rst iat=1190, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1806,1814, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 79 THR MG 114 VAL HA 5.00
&rst iat= -1,1706, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1192,1193,1194, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 8 LYS HB2 122 TYR CZ 5.00
&rst iat= 111, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1835,1840, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 9 GLU HA 122 TYR CG 5.50
&rst iat= 131, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1833,1842, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 9 GLU HA 122 TYR CZ 5.50
&rst iat= 131, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1835,1840, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 10 ALA HA 122 TYR CZ 5.50
&rst iat= 147, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1835,1840, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 12 LEU HA 120 PHE CG 5.00
&rst iat= 171, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1806,1814, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 15 VAL MG1 120 PHE CG 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 225, 226, 227, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1806,1814, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 15 VAL MG2 120 PHE CG 5.00
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 229, 230, 231, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1806,1814, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 18 MET ME 122 TYR CG 5.00
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 280, 281, 282, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1833,1842, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 18 MET ME 122 TYR CZ 5.00
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 280, 281, 282, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1835,1840, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 33 TYR CG 33 TYR QPB 5.00
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 498, 507, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 494, 495, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 33 TYR CG 38 VAL MG2 5.00
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 498, 507, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 575, 576, 577, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 33 TYR CG 66 ILE QPG 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1= 498, 507, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1010,1011, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 49 PHE CG 50 PRO QPD 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1= 725, 733, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 738, 739, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 49 PHE CG 55 GLU QPG 5.00
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 725, 733, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 823, 824, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 49 PHE CZ 55 GLU QPG 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1= 727, 731, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 823, 824, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 51 PHE CG 51 PHE QPB 5.00
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 759, 767, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 755, 756, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 51 PHE CZ 83 PHE CZ 5.00
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 761, 765, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1253,1257, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 51 PHE HZ 83 PHE CZ 5.00
&rst iat= 763, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1253,1257, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 51 PHE CZ 85 HISP HE 5.50
&rst iat= -1,1280, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 761, 765, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 54 PHE CG 61 ASN HA 5.50
&rst iat= -1, 925, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 804, 812, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 54 PHE CG 136 TYR CG 6.00
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
igr1= 804, 812, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2058,2067, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 54 PHE CG 136 TYR CZ 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1= 804, 812, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2060,2065, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 54 PHE CG 138 CYS HN 6.00
&rst iat= -1,2087, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1= 804, 812, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 54 PHE CZ 138 CYS HN 5.00
&rst iat= -1,2087, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 806, 810, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 54 PHE CG 148 MET HA 5.00
&rst iat= -1,2216, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 804, 812, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 54 PHE CG 148 MET QPG 5.00
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 804, 812, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2221,2221, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 54 PHE CG 149 PHE HA 5.00
&rst iat= -1,2235, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 804, 812, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 59 LYS HN 59 LYS QPG 5.00
&rst iat= 879, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 886, 887, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 61 ASN HB2 136 TYR CZ 5.50
&rst iat= 927, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2060,2065, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 74 VAL MG2 87 PHE CZ 5.00
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1113,1114,1115, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1309,1313, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 83 PHE CZ 143 HISP HE 5.50
&rst iat= -1,2165, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1=1253,1257, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 86 SER HA 111 PHE CG 5.00
&rst iat=1290, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1667,1675, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 86 SER HB2 111 PHE CG 5.00
&rst iat=1292, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1667,1675, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 86 SER HB3 111 PHE CG 5.50
&rst iat=1293, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1667,1675, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 87 PHE CG 89 ILE MD 5.00
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1307,1315, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1345,1346,1347, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 87 PHE CG 89 ILE QPG 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1=1307,1315, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1342,1343, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 87 PHE CZ 89 ILE QPG 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1=1309,1313, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1342,1343, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 87 PHE CG 125 PHE CZ 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1=1307,1315, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1883,1887, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 87 PHE CZ 125 PHE CZ 5.00
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1=1309,1313, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1883,1887, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 87 PHE CZ 136 TYR QPB 5.00
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1309,1313, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2054,2055, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 87 PHE CG 136 TYR QPB 5.00
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1307,1315, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2054,2055, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 87 PHE HZ 136 TYR QPB 5.00
&rst iat=1311, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2054,2055, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 89 ILE MD 125 PHE CG 5.00
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1345,1346,1347, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1881,1889, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 91 LYS QPG 134 TYR CG 5.00
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1372,1373, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2016,2025, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 93 GLY HA2 135 TYR CG 5.00
&rst iat=1411, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2037,2046, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 94 PRO QPD 135 TYR CG 5.00
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1417,1418, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2037,2046, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 96 TYR CZ 137 VAL MG1 5.00
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1454,1459, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2077,2078,2079, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 96 TYR CG 144 ALA MB 5.00
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1452,1461, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2177,2178,2179, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 111 PHE CZ 140 ILE QPG 5.00
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1669,1673, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2126,2127, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 115 PRO QPB 120 PHE CG 5.00
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1727,1728, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1806,1814, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 115 PRO QPG 120 PHE CG 5.50
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1=1724,1725, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1806,1814, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 129 PRO QPB 134 TYR CZ 5.00
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1956,1957, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2018,2023, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 137 VAL MG1 149 PHE CG 5.00
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2077,2078,2079, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2241,2249, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 149 PHE CG 150 GLY HA2 5.00
&rst iat= -1,2255, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1=2241,2249, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 136 TYR CG 150 GLY HA2 5.50
&rst iat= -1,2255, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1=2058,2067, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 136 TYR CG 152 ILE MD 5.00
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2058,2067, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2295,2296,2297, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 42 ALA MB 76 PHE CG 6.35
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41,
igr1= 635, 636, 637, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1141,1149, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 44 ALA MB 76 PHE CZ 5.64
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1= 655, 656, 657, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1143,1147, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 44 ALA MB 76 PHE HZ 4.00
&rst iat= -1,1145, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 655, 656, 657, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 54 PHE HZ 76 PHE HZ 4.00
&rst iat= 808,1145, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 76 PHE HZ 78 ASN HB3 4.00
&rst iat=1145,1177, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 76 PHE CZ 85 HISP HB3 5.70
&rst iat= -1,1275, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1143,1147, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 76 PHE CZ 86 SER HA 6.16
&rst iat= -1,1290, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1=1143,1147, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 76 PHE CG 87 PHE HB2 5.13
&rst iat= -1,1303, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1=1141,1149, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 76 PHE HZ 87 PHE HA 4.00
&rst iat=1145,1301, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 76 PHE CG 109 THR MG 5.63
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1=1141,1149, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1644,1645,1646, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
## 76 PHE CG 112 SER HB2 5.53 3/25/96.
## &rst iat= -1,1683, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
## igr1=1141,1149, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
## igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 76 PHE CG 123 THR MG 5.31
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
igr1=1141,1149, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1852,1853,1854, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 76 PHE CZ 148 MET ME 5.62
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1143,1147, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2227,2228,2229, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 42 ALA MB 76 PHE CG 6.35
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41,
igr1= 635, 636, 637, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1141,1149, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 44 ALA MB 76 PHE CZ 5.64
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1= 655, 656, 657, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1143,1147, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 44 ALA MB 76 PHE HZ 4.00
&rst iat= -1,1145, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 655, 656, 657, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 54 PHE HZ 76 PHE HZ 4.00
&rst iat= 808,1145, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 76 PHE HZ 78 ASN HB3 4.00
&rst iat=1145,1177, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 76 PHE CZ 85 HISP HB3 5.70
&rst iat= -1,1275, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1143,1147, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 76 PHE CZ 86 SER HA 6.16
&rst iat= -1,1290, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1=1143,1147, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 76 PHE CG 87 PHE HB2 5.13
&rst iat= -1,1303, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1=1141,1149, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 76 PHE HZ 87 PHE HA 4.00
&rst iat=1145,1301, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 76 PHE CG 109 THR MG 5.63
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1=1141,1149, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1644,1645,1646, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 76 PHE CG 112 SER HB2 5.53
&rst iat= -1,1683, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1141,1149, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 76 PHE CG 123 THR MG 5.31
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
igr1=1141,1149, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=1852,1853,1854, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 76 PHE CZ 148 MET ME 5.62
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1143,1147, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2=2227,2228,2229, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
## added 4/10/96 to correct phi angles of V45 and F51.
# 45 VAL MG1 51 PHE HA 4.0
&rst iat= -1, 753, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 667, 668, 669, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 45 VAL MG1 51 PHE QB 4.0
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 667, 668, 669, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 755, 756, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 45 VAL MG2 80 ASN HB2 4.0
&rst iat= -1,1204, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 671, 672, 673, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
# 45 VAL MG2 51 PHE HD 4.0
&rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 671, 672, 673, 0, 0, 0, 0, 0, 0, 0, 0, 0,
igr2= 759, 767, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, &end
#
## 51 PHE HZ 85 HISP HN 4.0 4/10/96.
## &rst iat= 763,1270, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
# 45 VAL PHI: (44 ALA C)-(45 VAL N)-(45 VAL CA)-(45 VAL C) +30.0 +90.0
&rst iat = 658, 660, 662, 674,
r1 = +20.0, r2 = +30.0, r3 = +90.0, r4 = 100.0, &end
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