NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
578343 |
2rt9   |
11529 | cing | 1-original | 3 | AMBER | distance | NOE | simple |
# 1 THR HA 1 THR QG2 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
rk2 = 32.0, rk3 = 32.0, ir6=1, ialtd=0,
igr2= 10, 11, 12,
&end
#
# 1 THR HB 2 ASP- HN 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= 8, 18, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 1 THR QHN 1 THR QG2 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 2, 3, 4,
igr2= 10, 11, 12,
&end
#
# 2 ASP- HA 3 GLU- HN 1.80 3.18
&rst
ixpk= 0, nxpk= 0, iat= 20, 30, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 2 ASP- HB2 3 GLU- HN 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 22, 30, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 2 ASP- HB3 3 GLU- HN 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 23, 30, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 2 ASP- HN 2 ASP- QB 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= 18, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 22, 23,
&end
#
# 3 GLU- HA 3 GLU- QG 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 32, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 37, 38,
&end
#
# 3 GLU- HA 4 ALA HN 1.80 2.97
&rst
ixpk= 0, nxpk= 0, iat= 32, 45, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 3 GLU- HA 4 ALA QB 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= 32, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 49, 50, 51,
&end
#
# 3 GLU- HB2 4 ALA HN 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 34, 45, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 3 GLU- HB3 4 ALA HN 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 35, 45, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 3 GLU- HN 3 GLU- HB2 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 30, 34, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 3 GLU- HN 3 GLU- HB3 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 30, 35, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 3 GLU- HN 3 GLU- QB 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= 30, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 34, 35,
&end
#
# 3 GLU- HN 3 GLU- QG 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 30, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2= 37, 38,
&end
#
# 3 GLU- QG 4 ALA HN 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 45, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 37, 38,
&end
#
# 4 ALA HA 17 TYR QD 1.80 5.13
&rst
ixpk= 0, nxpk= 0, iat= 47, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 250, 259,
&end
#
# 4 ALA HA 5 LEU HB2 1.80 5.17
&rst
ixpk= 0, nxpk= 0, iat= 47, 59, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 4 ALA HA 5 LEU HG 1.80 5.39
&rst
ixpk= 0, nxpk= 0, iat= 47, 62, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 4 ALA HA 5 LEU HN 1.80 2.89
&rst
ixpk= 0, nxpk= 0, iat= 47, 55, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 4 ALA HN 4 ALA QB 1.80 3.08
&rst
ixpk= 0, nxpk= 0, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 49, 50, 51,
&end
#
# 4 ALA HN 5 LEU HN 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 45, 55, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 4 ALA HN 5 LEU QD2 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 68, 69, 70,
&end
#
# 4 ALA QB 17 TYR HB2 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 246, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 49, 50, 51,
&end
#
# 4 ALA QB 17 TYR HB3 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 247, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 49, 50, 51,
&end
#
# 4 ALA QB 17 TYR QD 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 49, 50, 51,
igr2= 250, 259,
&end
#
# 4 ALA QB 17 TYR QE 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 49, 50, 51,
igr2= 252, 257,
&end
#
# 4 ALA QB 5 LEU HN 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 55, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 49, 50, 51,
&end
#
# 5 LEU HA 17 TYR HN 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= 57, 242, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 5 LEU HA 5 LEU HG 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 57, 62, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 5 LEU HA 5 LEU QD1 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= 57, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 64, 65, 66,
&end
#
# 5 LEU HA 5 LEU QD2 1.80 3.06
&rst
ixpk= 0, nxpk= 0, iat= 57, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2= 68, 69, 70,
&end
#
# 5 LEU HA 6 LYS+ HN 1.80 2.90
&rst
ixpk= 0, nxpk= 0, iat= 57, 74, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 5 LEU HB2 14 PRO HA 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 59, 206, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 5 LEU HB2 5 LEU QD1 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= 59, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 64, 65, 66,
&end
#
# 5 LEU HB2 6 LYS+ HN 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 59, 74, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 5 LEU HB3 14 PRO HB2 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= 60, 203, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 5 LEU HB3 14 PRO HB3 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= 60, 204, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 5 LEU HB3 14 PRO QB 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 60, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 203, 204,
&end
#
# 5 LEU HB3 5 LEU QD1 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat= 60, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 64, 65, 66,
&end
#
# 5 LEU HB3 5 LEU QD2 1.80 3.15
&rst
ixpk= 0, nxpk= 0, iat= 60, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 68, 69, 70,
&end
#
# 5 LEU HB3 6 LYS+ HA 1.80 5.28
&rst
ixpk= 0, nxpk= 0, iat= 60, 76, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 5 LEU HB3 6 LYS+ HN 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= 60, 74, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 5 LEU HG 17 TYR QD 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 250, 259,
&end
#
# 5 LEU HN 17 TYR QE 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 55, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 252, 257,
&end
#
# 5 LEU HN 5 LEU HB2 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 55, 59, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 5 LEU HN 5 LEU HB3 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 55, 60, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 5 LEU HN 5 LEU HG 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= 55, 62, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 5 LEU HN 5 LEU QD1 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 55, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 64, 65, 66,
&end
#
# 5 LEU HN 5 LEU QD2 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 55, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 68, 69, 70,
&end
#
# 5 LEU HN 6 LYS+ HN 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 55, 74, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 5 LEU QD1 14 PRO HA 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 206, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 64, 65, 66,
&end
#
# 5 LEU QD1 14 PRO HB2 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 64, 65, 66,
&end
#
# 5 LEU QD1 14 PRO HB3 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 204, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 64, 65, 66,
&end
#
# 5 LEU QD1 14 PRO QB 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 64, 65, 66,
igr2= 203, 204,
&end
#
# 5 LEU QD1 17 TYR HB2 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 246, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 64, 65, 66,
&end
#
# 5 LEU QD1 17 TYR QD 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 64, 65, 66,
igr2= 250, 259,
&end
#
# 5 LEU QD1 6 LYS+ HN 1.80 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 74, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 64, 65, 66,
&end
#
# 5 LEU QD2 14 PRO HB2 1.80 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 203, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 68, 69, 70,
&end
#
# 5 LEU QD2 14 PRO HB3 1.80 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 204, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 68, 69, 70,
&end
#
# 5 LEU QD2 14 PRO QB 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 68, 69, 70,
igr2= 203, 204,
&end
#
# 5 LEU QD2 15 ALA HN 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 210, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 68, 69, 70,
&end
#
# 5 LEU QD2 16 LYS+ HA 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 68, 69, 70,
&end
#
# 5 LEU QD2 16 LYS+ QE 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 68, 69, 70,
igr2= 233, 234,
&end
#
# 5 LEU QD2 17 TYR HB2 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 246, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 68, 69, 70,
&end
#
# 5 LEU QD2 17 TYR HB3 1.80 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 247, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 68, 69, 70,
&end
#
# 5 LEU QD2 17 TYR HN 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 68, 69, 70,
&end
#
# 5 LEU QD2 17 TYR QD 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 68, 69, 70,
igr2= 250, 259,
&end
#
# 5 LEU QD2 6 LYS+ HN 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 74, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 68, 69, 70,
&end
#
# 6 LYS+ HA 6 LYS+ HD2 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 76, 84, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 6 LYS+ HA 6 LYS+ HD3 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 76, 85, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 6 LYS+ HA 6 LYS+ HG2 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= 76, 81, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 6 LYS+ HA 6 LYS+ HG3 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= 76, 82, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 6 LYS+ HA 6 LYS+ QD 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 84, 85,
&end
#
# 6 LYS+ HA 7 PRO HD2 1.80 2.93
&rst
ixpk= 0, nxpk= 0, iat= 76, 97, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 6 LYS+ HA 7 PRO HD3 1.80 2.77
&rst
ixpk= 0, nxpk= 0, iat= 76, 98, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27, &end
#
# 6 LYS+ HA 7 PRO QG 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 100, 101,
&end
#
# 6 LYS+ HB2 17 TYR QE 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 252, 257,
&end
#
# 6 LYS+ HB2 35 PHE HZ 1.80 5.40
&rst
ixpk= 0, nxpk= 0, iat= 78, 540, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 6 LYS+ HB2 35 PHE QE 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 538, 542,
&end
#
# 6 LYS+ HB2 37 VAL QG1 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 564, 565, 566,
&end
#
# 6 LYS+ HB2 7 PRO HD2 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= 78, 97, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 6 LYS+ HB3 35 PHE QE 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 79, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 538, 542,
&end
#
# 6 LYS+ HB3 40 LEU QD2 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= 79, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 616, 617, 618,
&end
#
# 6 LYS+ HB3 7 PRO HD2 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat= 79, 97, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 6 LYS+ HB3 7 PRO HD3 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= 79, 98, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 6 LYS+ HE2 17 TYR QE 1.80 5.19
&rst
ixpk= 0, nxpk= 0, iat= 87, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr2= 252, 257,
&end
#
# 6 LYS+ HE2 37 VAL QG1 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= 87, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 564, 565, 566,
&end
#
# 6 LYS+ HE2 37 VAL QG2 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= 87, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 568, 569, 570,
&end
#
# 6 LYS+ HE3 17 TYR QE 1.80 5.19
&rst
ixpk= 0, nxpk= 0, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr2= 252, 257,
&end
#
# 6 LYS+ HE3 37 VAL QG1 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 564, 565, 566,
&end
#
# 6 LYS+ HE3 37 VAL QG2 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 568, 569, 570,
&end
#
# 6 LYS+ HG2 17 TYR QD 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 81, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 250, 259,
&end
#
# 6 LYS+ HG2 6 LYS+ QE 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= 81, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 87, 88,
&end
#
# 6 LYS+ HG2 7 PRO HD2 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 81, 97, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 6 LYS+ HG2 7 PRO HD3 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= 81, 98, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 6 LYS+ HG3 17 TYR HB2 1.80 5.05
&rst
ixpk= 0, nxpk= 0, iat= 82, 246, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 6 LYS+ HG3 17 TYR HB3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 82, 247, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 6 LYS+ HG3 17 TYR QD 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= 82, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2= 250, 259,
&end
#
# 6 LYS+ HG3 17 TYR QE 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat= 82, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2= 252, 257,
&end
#
# 6 LYS+ HG3 37 VAL QG1 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= 82, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 564, 565, 566,
&end
#
# 6 LYS+ HG3 6 LYS+ QE 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= 82, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 87, 88,
&end
#
# 6 LYS+ HN 15 ALA HN 1.80 5.06
&rst
ixpk= 0, nxpk= 0, iat= 74, 210, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 6 LYS+ HN 15 ALA QB 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 74, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 214, 215, 216,
&end
#
# 6 LYS+ HN 17 TYR QD 1.80 5.23
&rst
ixpk= 0, nxpk= 0, iat= 74, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 250, 259,
&end
#
# 6 LYS+ HN 17 TYR QE 1.80 5.46
&rst
ixpk= 0, nxpk= 0, iat= 74, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr2= 252, 257,
&end
#
# 6 LYS+ HN 6 LYS+ HB2 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= 74, 78, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 6 LYS+ HN 6 LYS+ HB3 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 74, 79, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 6 LYS+ HN 6 LYS+ HG2 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 74, 81, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 6 LYS+ HN 6 LYS+ HG3 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 74, 82, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 6 LYS+ HN 7 PRO HD2 1.80 5.04
&rst
ixpk= 0, nxpk= 0, iat= 74, 97, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 6 LYS+ HN 7 PRO HD3 1.80 5.06
&rst
ixpk= 0, nxpk= 0, iat= 74, 98, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 6 LYS+ QD 37 VAL HB 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 84, 85,
&end
#
# 6 LYS+ QD 37 VAL QG1 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 84, 85,
igr2= 564, 565, 566,
&end
#
# 6 LYS+ QD 40 LEU QD2 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 84, 85,
igr2= 616, 617, 618,
&end
#
# 6 LYS+ QD 7 PRO HD2 1.80 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 97, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 84, 85,
&end
#
# 6 LYS+ QE 17 TYR QE 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 87, 88,
igr2= 252, 257,
&end
#
# 6 LYS+ QE 37 VAL HB 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 87, 88,
&end
#
# 6 LYS+ QE 37 VAL QG1 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 87, 88,
igr2= 564, 565, 566,
&end
#
# 6 LYS+ QE 37 VAL QG2 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 87, 88,
igr2= 568, 569, 570,
&end
#
# 6 LYS+ QE 40 LEU QD2 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 87, 88,
igr2= 616, 617, 618,
&end
#
# 7 PRO HA 12 GLN HA 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= 106, 170, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 7 PRO HA 12 GLN HB3 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= 106, 173, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 7 PRO HA 15 ALA HN 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 106, 210, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 7 PRO HA 15 ALA QB 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat= 106, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 214, 215, 216,
&end
#
# 7 PRO HA 8 CYM HB2 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= 106, 115, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 7 PRO HA 8 CYM HB3 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= 106, 114, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 7 PRO HA 8 CYM HN 1.80 2.83
&rst
ixpk= 0, nxpk= 0, iat= 106, 110, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end
#
# 7 PRO HB2 12 GLN HA 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat= 103, 170, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 7 PRO HB2 12 GLN HB2 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat= 103, 172, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 7 PRO HB2 12 GLN HB3 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 103, 173, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 7 PRO HB2 12 GLN HN 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 103, 168, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 7 PRO HB2 12 GLN QG 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= 103, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 175, 176,
&end
#
# 7 PRO HB2 8 CYM HN 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= 103, 110, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 7 PRO HB3 12 GLN HA 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 104, 170, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 7 PRO HB3 12 GLN HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 104, 168, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 PRO HB3 8 CYM HN 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= 104, 110, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 7 PRO QG 12 GLN HA 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 170, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 100, 101,
&end
#
# 7 PRO QG 8 CYM HN 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 110, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 100, 101,
&end
#
# 8 CYM HA 10 ARG+ HN 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 112, 134, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 8 CYM HA 15 ALA QB 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 214, 215, 216,
&end
#
# 8 CYM HA 26 CYM HB2 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= 112, 410, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 8 CYM HA 33 PHE QD 1.80 5.15
&rst
ixpk= 0, nxpk= 0, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 504, 512,
&end
#
# 8 CYM HA 35 PHE HZ 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat= 112, 540, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 8 CYM HA 35 PHE QE 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 538, 542,
&end
#
# 8 CYM HA 9 PRO HD2 1.80 2.88
&rst
ixpk= 0, nxpk= 0, iat= 112, 121, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end
#
# 8 CYM HA 9 PRO HD3 1.80 2.93
&rst
ixpk= 0, nxpk= 0, iat= 112, 122, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 8 CYM HA 9 PRO HG3 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= 112, 125, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 8 CYM HB2 11 CYM HN 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 115, 158, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 8 CYM HB2 12 GLN HN 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= 115, 168, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 8 CYM HB2 13 SER HB2 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat= 115, 189, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 8 CYM HB2 13 SER HB3 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat= 115, 190, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 8 CYM HB2 13 SER HN 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 115, 185, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 8 CYM HB2 15 ALA QB 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 214, 215, 216,
&end
#
# 8 CYM HB2 26 CYM HA 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= 115, 407, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 8 CYM HB2 26 CYM HB2 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= 115, 410, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 8 CYM HB2 26 CYM HB3 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat= 115, 409, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 8 CYM HB2 35 PHE QE 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 538, 542,
&end
#
# 8 CYM HB2 9 PRO HD3 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= 115, 122, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 8 CYM HB3 10 ARG+ HN 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 114, 134, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 8 CYM HB3 11 CYM HN 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= 114, 158, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 8 CYM HB3 12 GLN HA 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 114, 170, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 8 CYM HB3 12 GLN HB3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 114, 173, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 CYM HB3 12 GLN HN 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat= 114, 168, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 8 CYM HB3 12 GLN QG 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 175, 176,
&end
#
# 8 CYM HB3 13 SER HN 1.80 3.08
&rst
ixpk= 0, nxpk= 0, iat= 114, 185, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 8 CYM HB3 13 SER QB 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 189, 190,
&end
#
# 8 CYM HB3 15 ALA QB 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 214, 215, 216,
&end
#
# 8 CYM HB3 33 PHE HB3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 114, 501, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 CYM HB3 35 PHE QE 1.80 5.22
&rst
ixpk= 0, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 538, 542,
&end
#
# 8 CYM HN 12 GLN HA 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 110, 170, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 8 CYM HN 12 GLN HN 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 110, 168, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 8 CYM HN 13 SER HN 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= 110, 185, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 8 CYM HN 14 PRO HA 1.80 5.04
&rst
ixpk= 0, nxpk= 0, iat= 110, 206, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 8 CYM HN 15 ALA QB 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 110, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 214, 215, 216,
&end
#
# 8 CYM HN 35 PHE HZ 1.80 5.11
&rst
ixpk= 0, nxpk= 0, iat= 110, 540, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 8 CYM HN 8 CYM HB2 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat= 110, 115, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 8 CYM HN 8 CYM HB3 1.80 3.14
&rst
ixpk= 0, nxpk= 0, iat= 110, 114, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 8 CYM HN 9 PRO HD3 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= 110, 122, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 9 PRO HA 12 GLN HE21 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 130, 180, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 9 PRO HA 12 GLN HE22 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 130, 181, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 9 PRO HA 12 GLN QE2 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 180, 181,
&end
#
# 9 PRO HA 40 LEU QD2 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 616, 617, 618,
&end
#
# 9 PRO HB2 10 ARG+ HA 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= 127, 136, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 9 PRO HB2 33 PHE HZ 1.80 5.17
&rst
ixpk= 0, nxpk= 0, iat= 127, 508, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 9 PRO HB2 33 PHE QD 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 504, 512,
&end
#
# 9 PRO HB2 33 PHE QE 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 506, 510,
&end
#
# 9 PRO HB2 40 LEU QD2 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 616, 617, 618,
&end
#
# 9 PRO HB3 33 PHE QE 1.80 5.08
&rst
ixpk= 0, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 506, 510,
&end
#
# 9 PRO HB3 40 LEU HB3 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 128, 608, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 9 PRO HB3 40 LEU QD2 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 616, 617, 618,
&end
#
# 9 PRO HB3 41 CYS HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 128, 622, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 PRO HD2 10 ARG+ HN 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= 121, 134, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 9 PRO HD2 15 ALA QB 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 214, 215, 216,
&end
#
# 9 PRO HD2 26 CYM HB2 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 121, 410, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 9 PRO HD2 33 PHE QD 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 504, 512,
&end
#
# 9 PRO HD2 33 PHE QE 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 506, 510,
&end
#
# 9 PRO HD2 35 PHE QD 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 536, 544,
&end
#
# 9 PRO HD2 35 PHE QE 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 538, 542,
&end
#
# 9 PRO HD2 40 LEU QD2 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 616, 617, 618,
&end
#
# 9 PRO HD3 10 ARG+ HN 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= 122, 134, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 9 PRO HD3 15 ALA QB 1.80 5.03
&rst
ixpk= 0, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 214, 215, 216,
&end
#
# 9 PRO HD3 33 PHE QD 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 504, 512,
&end
#
# 9 PRO HD3 33 PHE QE 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 506, 510,
&end
#
# 9 PRO HD3 35 PHE HZ 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 122, 540, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 9 PRO HD3 35 PHE QD 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 536, 544,
&end
#
# 9 PRO HD3 35 PHE QE 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 538, 542,
&end
#
# 9 PRO HD3 40 LEU QD2 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 616, 617, 618,
&end
#
# 9 PRO HG2 10 ARG+ HN 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 124, 134, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 9 PRO HG2 33 PHE QD 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 504, 512,
&end
#
# 9 PRO HG2 33 PHE QE 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 506, 510,
&end
#
# 9 PRO HG2 35 PHE QD 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 536, 544,
&end
#
# 9 PRO HG2 40 LEU QD2 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 616, 617, 618,
&end
#
# 9 PRO HG3 33 PHE QD 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 504, 512,
&end
#
# 9 PRO HG3 33 PHE QE 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 506, 510,
&end
#
# 9 PRO HG3 35 PHE HN 1.80 5.36
&rst
ixpk= 0, nxpk= 0, iat= 125, 528, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 9 PRO HG3 35 PHE QD 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 536, 544,
&end
#
# 9 PRO HG3 40 LEU HA 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= 125, 605, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 9 PRO HG3 40 LEU QD2 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 616, 617, 618,
&end
#
# 10 ARG+ HA 10 ARG+ HD2 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= 136, 144, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 10 ARG+ HA 10 ARG+ HD3 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= 136, 145, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 10 ARG+ HA 10 ARG+ HG2 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 136, 141, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 10 ARG+ HA 10 ARG+ HG3 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= 136, 142, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 10 ARG+ HB2 10 ARG+ HD2 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= 138, 144, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 10 ARG+ HB2 10 ARG+ HD3 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= 138, 145, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 10 ARG+ HB2 11 CYM HB3 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 138, 162, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 10 ARG+ HB2 11 CYM HN 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= 138, 158, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 10 ARG+ HB2 12 GLN HN 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= 138, 168, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 10 ARG+ HB2 33 PHE HB2 1.80 5.04
&rst
ixpk= 0, nxpk= 0, iat= 138, 500, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 10 ARG+ HB2 33 PHE HB3 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 138, 501, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 10 ARG+ HB2 33 PHE QD 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 504, 512,
&end
#
# 10 ARG+ HB2 33 PHE QE 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 506, 510,
&end
#
# 10 ARG+ HB3 10 ARG+ HD2 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= 139, 144, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 10 ARG+ HB3 10 ARG+ HD3 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 139, 145, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 10 ARG+ HB3 11 CYM HB3 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 139, 162, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 10 ARG+ HB3 11 CYM HN 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= 139, 158, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 10 ARG+ HB3 33 PHE QD 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 139, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 504, 512,
&end
#
# 10 ARG+ HD2 33 PHE HB2 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 144, 500, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 10 ARG+ HD2 33 PHE HB3 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 144, 501, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 10 ARG+ HD2 33 PHE QD 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 504, 512,
&end
#
# 10 ARG+ HD2 33 PHE QE 1.80 5.17
&rst
ixpk= 0, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 506, 510,
&end
#
# 10 ARG+ HD3 33 PHE HB3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 145, 501, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 ARG+ HD3 33 PHE QD 1.80 5.14
&rst
ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2= 504, 512,
&end
#
# 10 ARG+ HG2 11 CYM HN 1.80 4.96
&rst
ixpk= 0, nxpk= 0, iat= 141, 158, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 10 ARG+ HG2 33 PHE QD 1.80 5.35
&rst
ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2= 504, 512,
&end
#
# 10 ARG+ HG3 11 CYM HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 142, 158, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 10 ARG+ HG3 33 PHE HB3 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat= 142, 501, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 10 ARG+ HG3 33 PHE QD 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 142, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 504, 512,
&end
#
# 10 ARG+ HG3 33 PHE QE 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= 142, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 506, 510,
&end
#
# 10 ARG+ HN 10 ARG+ HB2 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= 134, 138, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 10 ARG+ HN 10 ARG+ HB3 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 134, 139, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 10 ARG+ HN 10 ARG+ HG2 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 134, 141, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 10 ARG+ HN 10 ARG+ HG3 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= 134, 142, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 10 ARG+ HN 11 CYM HN 1.80 3.07
&rst
ixpk= 0, nxpk= 0, iat= 134, 158, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 10 ARG+ HN 12 GLN HN 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= 134, 168, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 10 ARG+ HN 12 GLN QG 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 175, 176,
&end
#
# 10 ARG+ HN 33 PHE QD 1.80 5.32
&rst
ixpk= 0, nxpk= 0, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 504, 512,
&end
#
# 11 CYM HA 11 CYM HB2 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 160, 163, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 11 CYM HA 12 GLN HA 1.80 5.48
&rst
ixpk= 0, nxpk= 0, iat= 160, 170, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 11 CYM HA 12 GLN HB2 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= 160, 172, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 11 CYM HA 12 GLN QG 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 175, 176,
&end
#
# 11 CYM HB2 12 GLN QG 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 175, 176,
&end
#
# 11 CYM HB2 28 ARG+ QD 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 436, 437,
&end
#
# 11 CYM HB3 12 GLN HN 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 162, 168, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 11 CYM HB3 28 ARG+ QD 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 436, 437,
&end
#
# 11 CYM HN 11 CYM HB3 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 158, 162, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 11 CYM HN 12 GLN HA 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= 158, 170, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 11 CYM HN 12 GLN HN 1.80 2.92
&rst
ixpk= 0, nxpk= 0, iat= 158, 168, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 12 GLN HA 12 GLN QE2 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 180, 181,
&end
#
# 12 GLN HA 12 GLN QG 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 175, 176,
&end
#
# 12 GLN HA 13 SER HN 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat= 170, 185, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 12 GLN HN 12 GLN HA 1.80 2.67
&rst
ixpk= 0, nxpk= 0, iat= 168, 170, r1= 1.30, r2= 1.80, r3= 2.67, r4= 3.17, &end
#
# 12 GLN HN 12 GLN HB3 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 168, 173, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 12 GLN HN 12 GLN QE2 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 180, 181,
&end
#
# 12 GLN HN 12 GLN QG 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 175, 176,
&end
#
# 12 GLN HN 13 SER HN 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= 168, 185, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 12 GLN QG 12 GLN QE2 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 175, 176,
igr2= 180, 181,
&end
#
# 13 SER HA 14 PRO HD2 1.80 3.14
&rst
ixpk= 0, nxpk= 0, iat= 187, 197, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 13 SER HA 14 PRO HD3 1.80 3.14
&rst
ixpk= 0, nxpk= 0, iat= 187, 198, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 13 SER HA 14 PRO HG2 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= 187, 200, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 13 SER HA 14 PRO HG3 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 187, 201, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 13 SER HA 14 PRO QD 1.80 2.60
&rst
ixpk= 0, nxpk= 0, iat= 187, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 197, 198,
&end
#
# 13 SER HB2 28 ARG+ HB2 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 189, 430, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 13 SER HB2 28 ARG+ HB3 1.80 4.96
&rst
ixpk= 0, nxpk= 0, iat= 189, 431, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 13 SER HB3 28 ARG+ HB2 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 190, 430, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 13 SER HB3 28 ARG+ HB3 1.80 4.96
&rst
ixpk= 0, nxpk= 0, iat= 190, 431, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 13 SER HN 13 SER HB2 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= 185, 189, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 13 SER HN 13 SER HB3 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= 185, 190, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 13 SER HN 13 SER HG 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= 185, 192, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 13 SER HN 13 SER QB 1.80 3.15
&rst
ixpk= 0, nxpk= 0, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2= 189, 190,
&end
#
# 13 SER HN 14 PRO QD 1.80 5.04
&rst
ixpk= 0, nxpk= 0, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 197, 198,
&end
#
# 13 SER QB 14 PRO QD 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 189, 190,
igr2= 197, 198,
&end
#
# 13 SER QB 28 ARG+ HB3 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 431, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 189, 190,
&end
#
# 13 SER QB 28 ARG+ HN 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 426, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 189, 190,
&end
#
# 14 PRO HA 15 ALA HA 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= 206, 212, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 14 PRO HA 15 ALA HN 1.80 2.69
&rst
ixpk= 0, nxpk= 0, iat= 206, 210, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19, &end
#
# 14 PRO HA 15 ALA QB 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 206, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 214, 215, 216,
&end
#
# 14 PRO HG2 15 ALA HN 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= 200, 210, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 14 PRO QB 15 ALA HN 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 210, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 203, 204,
&end
#
# 14 PRO QD 15 ALA HN 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 210, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 197, 198,
&end
#
# 15 ALA HA 16 LYS+ HB3 1.80 5.11
&rst
ixpk= 0, nxpk= 0, iat= 212, 225, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 15 ALA HA 16 LYS+ HN 1.80 2.88
&rst
ixpk= 0, nxpk= 0, iat= 212, 220, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end
#
# 15 ALA HA 26 CYM HA 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= 212, 407, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 15 ALA HA 27 SER HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 212, 417, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 ALA HA 27 SER HB2 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= 212, 419, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 15 ALA HA 27 SER HB3 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= 212, 420, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 15 ALA HA 27 SER HN 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= 212, 415, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 15 ALA HN 15 ALA QB 1.80 3.02
&rst
ixpk= 0, nxpk= 0, iat= 210, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 214, 215, 216,
&end
#
# 15 ALA QB 16 LYS+ HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 214, 215, 216,
&end
#
# 15 ALA QB 17 TYR HA 1.80 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 244, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 214, 215, 216,
&end
#
# 15 ALA QB 17 TYR HB2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 246, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 214, 215, 216,
&end
#
# 15 ALA QB 17 TYR HN 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 214, 215, 216,
&end
#
# 15 ALA QB 24 GLY HA2 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 381, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 214, 215, 216,
&end
#
# 15 ALA QB 24 GLY HA3 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 382, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 214, 215, 216,
&end
#
# 15 ALA QB 25 LEU HN 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 386, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1= 214, 215, 216,
&end
#
# 15 ALA QB 26 CYM HA 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 407, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1= 214, 215, 216,
&end
#
# 15 ALA QB 26 CYM HB2 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 214, 215, 216,
&end
#
# 15 ALA QB 26 CYM HB3 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 409, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 214, 215, 216,
&end
#
# 15 ALA QB 26 CYM HN 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 405, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 214, 215, 216,
&end
#
# 15 ALA QB 27 SER HN 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 214, 215, 216,
&end
#
# 15 ALA QB 27 SER QB 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 214, 215, 216,
igr2= 419, 420,
&end
#
# 15 ALA QB 35 PHE HZ 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 540, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 214, 215, 216,
&end
#
# 15 ALA QB 35 PHE QD 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 214, 215, 216,
igr2= 536, 544,
&end
#
# 15 ALA QB 35 PHE QE 1.80 3.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 214, 215, 216,
igr2= 538, 542,
&end
#
# 16 LYS+ HA 16 LYS+ QD 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 230, 231,
&end
#
# 16 LYS+ HA 16 LYS+ QG 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 227, 228,
&end
#
# 16 LYS+ HA 17 TYR HB2 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat= 222, 246, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 16 LYS+ HA 17 TYR HB3 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= 222, 247, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 16 LYS+ HA 17 TYR HN 1.80 2.69
&rst
ixpk= 0, nxpk= 0, iat= 222, 242, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19, &end
#
# 16 LYS+ HB2 17 TYR HN 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 224, 242, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 16 LYS+ HB2 25 LEU HB2 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= 224, 390, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 16 LYS+ HB3 18 GLN HG2 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 225, 270, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 16 LYS+ HB3 18 GLN HG3 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 225, 271, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 16 LYS+ HB3 18 GLN QE2 1.80 5.22
&rst
ixpk= 0, nxpk= 0, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 275, 276,
&end
#
# 16 LYS+ HB3 25 LEU QD1 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 395, 396, 397,
&end
#
# 16 LYS+ HN 16 LYS+ HB2 1.80 3.19
&rst
ixpk= 0, nxpk= 0, iat= 220, 224, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 16 LYS+ HN 16 LYS+ HG2 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= 220, 227, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 16 LYS+ HN 16 LYS+ HG3 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= 220, 228, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 16 LYS+ HN 16 LYS+ QG 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 227, 228,
&end
#
# 16 LYS+ HN 25 LEU HB2 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 220, 390, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 16 LYS+ HN 25 LEU HB3 1.80 5.18
&rst
ixpk= 0, nxpk= 0, iat= 220, 391, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 16 LYS+ HN 26 CYM HA 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= 220, 407, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 16 LYS+ QD 17 TYR HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 230, 231,
&end
#
# 16 LYS+ QD 25 LEU QD1 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 230, 231,
igr2= 395, 396, 397,
&end
#
# 16 LYS+ QE 25 LEU QD1 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1= 233, 234,
igr2= 395, 396, 397,
&end
#
# 16 LYS+ QG 17 TYR HN 1.80 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 227, 228,
&end
#
# 16 LYS+ QG 18 GLN QE2 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 227, 228,
igr2= 275, 276,
&end
#
# 17 TYR HA 17 TYR QD 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 250, 259,
&end
#
# 17 TYR HA 18 GLN HN 1.80 2.94
&rst
ixpk= 0, nxpk= 0, iat= 244, 263, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 17 TYR HA 24 GLY HA2 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= 244, 381, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 17 TYR HA 24 GLY HA3 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 244, 382, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 17 TYR HA 25 LEU HN 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 244, 386, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 17 TYR HA 37 VAL QG1 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 564, 565, 566,
&end
#
# 17 TYR HB2 19 PRO HD3 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat= 246, 282, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 17 TYR HB2 37 VAL QG1 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 564, 565, 566,
&end
#
# 17 TYR HB3 18 GLN HN 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 247, 263, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 17 TYR HB3 19 PRO HD3 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 247, 282, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 17 TYR HB3 19 PRO HG3 1.80 5.23
&rst
ixpk= 0, nxpk= 0, iat= 247, 285, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 17 TYR HB3 37 VAL QG1 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 564, 565, 566,
&end
#
# 17 TYR HN 17 TYR HB2 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= 242, 246, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 17 TYR HN 17 TYR HB3 1.80 3.15
&rst
ixpk= 0, nxpk= 0, iat= 242, 247, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 17 TYR HN 17 TYR QD 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 250, 259,
&end
#
# 17 TYR QD 18 GLN HN 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 263, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 250, 259,
&end
#
# 17 TYR QD 19 PRO HA 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 250, 259,
&end
#
# 17 TYR QD 19 PRO HD2 1.80 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 281, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 250, 259,
&end
#
# 17 TYR QD 19 PRO HD3 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 250, 259,
&end
#
# 17 TYR QD 19 PRO HG3 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 285, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 250, 259,
&end
#
# 17 TYR QD 19 PRO QB 1.80 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 250, 259,
igr2= 287, 288,
&end
#
# 17 TYR QD 24 GLY HA2 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 381, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 250, 259,
&end
#
# 17 TYR QD 24 GLY HA3 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 382, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 250, 259,
&end
#
# 17 TYR QD 37 VAL HB 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 250, 259,
&end
#
# 17 TYR QD 37 VAL QG1 1.80 3.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 250, 259,
igr2= 564, 565, 566,
&end
#
# 17 TYR QD 37 VAL QG2 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 250, 259,
igr2= 568, 569, 570,
&end
#
# 17 TYR QE 18 GLN HN 1.80 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 263, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 252, 257,
&end
#
# 17 TYR QE 19 PRO HA 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 252, 257,
&end
#
# 17 TYR QE 19 PRO HB2 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 287, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 252, 257,
&end
#
# 17 TYR QE 19 PRO HB3 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 288, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 252, 257,
&end
#
# 17 TYR QE 19 PRO HD3 1.80 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 252, 257,
&end
#
# 17 TYR QE 19 PRO HG2 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 284, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 252, 257,
&end
#
# 17 TYR QE 19 PRO HG3 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 285, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 252, 257,
&end
#
# 17 TYR QE 22 LYS+ HA 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 252, 257,
&end
#
# 17 TYR QE 23 ARG+ HN 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 355, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 252, 257,
&end
#
# 17 TYR QE 24 GLY HA3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 382, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 252, 257,
&end
#
# 17 TYR QE 37 VAL HB 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1= 252, 257,
&end
#
# 17 TYR QE 37 VAL HN 1.80 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 558, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 252, 257,
&end
#
# 17 TYR QE 37 VAL QG1 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 252, 257,
igr2= 564, 565, 566,
&end
#
# 17 TYR QE 37 VAL QG2 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 252, 257,
igr2= 568, 569, 570,
&end
#
# 18 GLN HA 18 GLN HG2 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 265, 270, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 18 GLN HA 18 GLN HG3 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= 265, 271, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 18 GLN HA 19 PRO HD2 1.80 2.95
&rst
ixpk= 0, nxpk= 0, iat= 265, 281, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 18 GLN HA 19 PRO HD3 1.80 3.07
&rst
ixpk= 0, nxpk= 0, iat= 265, 282, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 18 GLN HA 19 PRO HG2 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 265, 284, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 18 GLN HA 19 PRO HG3 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 265, 285, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 18 GLN HE21 25 LEU QD2 1.80 5.09
&rst
ixpk= 0, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 399, 400, 401,
&end
#
# 18 GLN HE22 25 LEU QD2 1.80 5.09
&rst
ixpk= 0, nxpk= 0, iat= 276, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 399, 400, 401,
&end
#
# 18 GLN HG2 18 GLN QE2 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= 270, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 275, 276,
&end
#
# 18 GLN HG2 20 HIS HE1 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 270, 303, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 18 GLN HG2 25 LEU QD1 1.80 5.40
&rst
ixpk= 0, nxpk= 0, iat= 270, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 395, 396, 397,
&end
#
# 18 GLN HG3 25 LEU QD1 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 395, 396, 397,
&end
#
# 18 GLN HG3 25 LEU QD2 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 399, 400, 401,
&end
#
# 18 GLN HG3 37 VAL QG1 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 564, 565, 566,
&end
#
# 18 GLN HN 18 GLN HG2 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 263, 270, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 18 GLN HN 18 GLN HG3 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 263, 271, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 18 GLN HN 18 GLN QB 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= 263, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 267, 268,
&end
#
# 18 GLN HN 19 PRO HD3 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat= 263, 282, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 18 GLN HN 23 ARG+ HB3 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat= 263, 360, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 18 GLN HN 23 ARG+ HN 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 263, 355, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 18 GLN HN 24 GLY HA2 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 263, 381, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 18 GLN HN 37 VAL QG1 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 263, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 564, 565, 566,
&end
#
# 18 GLN QB 19 PRO HD2 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 281, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 267, 268,
&end
#
# 18 GLN QB 19 PRO HD3 1.80 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 267, 268,
&end
#
# 18 GLN QB 20 HIS HE1 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 303, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 267, 268,
&end
#
# 18 GLN QB 21 LYS+ HB2 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 315, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 267, 268,
&end
#
# 18 GLN QB 21 LYS+ HG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 318, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 267, 268,
&end
#
# 18 GLN QB 21 LYS+ HG3 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 319, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 267, 268,
&end
#
# 18 GLN QB 22 LYS+ HA 1.80 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 267, 268,
&end
#
# 18 GLN QB 23 ARG+ HA 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 357, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 267, 268,
&end
#
# 18 GLN QB 23 ARG+ HB2 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 267, 268,
&end
#
# 18 GLN QB 23 ARG+ HB3 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 360, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 267, 268,
&end
#
# 18 GLN QB 23 ARG+ HD3 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 267, 268,
&end
#
# 18 GLN QB 23 ARG+ HN 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 355, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 267, 268,
&end
#
# 18 GLN QB 37 VAL QG1 1.80 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1= 267, 268,
igr2= 564, 565, 566,
&end
#
# 18 GLN QB 37 VAL QG2 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 267, 268,
igr2= 568, 569, 570,
&end
#
# 18 GLN QE2 25 LEU QD1 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 275, 276,
igr2= 395, 396, 397,
&end
#
# 19 PRO HA 21 LYS+ HN 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 290, 311, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 19 PRO HA 22 LYS+ HN 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 290, 333, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 19 PRO HA 23 ARG+ HN 1.80 5.19
&rst
ixpk= 0, nxpk= 0, iat= 290, 355, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 19 PRO HD2 20 HIS HE1 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 281, 303, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 HIS HB2 21 LYS+ HG3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 298, 319, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 HIS HB3 21 LYS+ HG3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 299, 319, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 HIS HD2 21 LYS+ HD2 1.80 5.29
&rst
ixpk= 0, nxpk= 0, iat= 307, 321, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 20 HIS HD2 21 LYS+ HE2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 307, 324, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 HIS HD2 21 LYS+ HE3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 307, 325, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 HIS HD2 21 LYS+ HG2 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 307, 318, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 20 HIS HD2 21 LYS+ HG3 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 307, 319, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 20 HIS HE1 21 LYS+ HG3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 303, 319, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 HIS HE1 21 LYS+ HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 303, 311, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 HIS QB 21 LYS+ HG3 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 319, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 298, 299,
&end
#
# 21 LYS+ HA 21 LYS+ HD2 1.80 5.19
&rst
ixpk= 0, nxpk= 0, iat= 313, 321, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 21 LYS+ HA 21 LYS+ HD3 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 313, 322, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 21 LYS+ HA 21 LYS+ HG2 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= 313, 318, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 21 LYS+ HA 21 LYS+ HG3 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= 313, 319, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 21 LYS+ HB2 23 ARG+ HB2 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= 315, 359, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 21 LYS+ HB2 23 ARG+ HN 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 315, 355, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 21 LYS+ HB3 21 LYS+ HD3 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= 316, 322, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 21 LYS+ HB3 22 LYS+ HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 316, 333, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 LYS+ HB3 23 ARG+ HB2 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 316, 359, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 21 LYS+ HB3 23 ARG+ HB3 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 316, 360, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 21 LYS+ HB3 23 ARG+ HD3 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= 316, 366, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 21 LYS+ HB3 23 ARG+ HN 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat= 316, 355, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 21 LYS+ HB3 43 TYR QE 1.80 4.85
&rst
ixpk= 0, nxpk= 0, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 653, 658,
&end
#
# 21 LYS+ HD2 23 ARG+ HD3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 321, 366, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 LYS+ HD3 23 ARG+ HB2 1.80 5.04
&rst
ixpk= 0, nxpk= 0, iat= 322, 359, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 21 LYS+ HD3 23 ARG+ HD3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 322, 366, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 LYS+ HD3 43 TYR QE 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 653, 658,
&end
#
# 21 LYS+ HG3 21 LYS+ HE2 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 319, 324, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 21 LYS+ HG3 21 LYS+ HE3 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 319, 325, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 21 LYS+ HN 21 LYS+ HG2 1.80 5.29
&rst
ixpk= 0, nxpk= 0, iat= 311, 318, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 21 LYS+ HN 22 LYS+ HN 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= 311, 333, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 21 LYS+ HN 22 LYS+ QG 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 340, 341,
&end
#
# 22 LYS+ HA 22 LYS+ HD2 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= 335, 343, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 22 LYS+ HA 22 LYS+ HD3 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= 335, 344, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 22 LYS+ HA 22 LYS+ QD 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 343, 344,
&end
#
# 22 LYS+ HA 22 LYS+ QG 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 340, 341,
&end
#
# 22 LYS+ HA 23 ARG+ HN 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= 335, 355, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 22 LYS+ HA 37 VAL HN 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 335, 558, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 22 LYS+ HA 37 VAL QG1 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 564, 565, 566,
&end
#
# 22 LYS+ HA 37 VAL QG2 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 568, 569, 570,
&end
#
# 22 LYS+ HB2 22 LYS+ HD2 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 337, 343, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 22 LYS+ HB2 22 LYS+ HD3 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 337, 344, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 22 LYS+ HB2 23 ARG+ HN 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= 337, 355, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 22 LYS+ HB2 37 VAL QG2 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 568, 569, 570,
&end
#
# 22 LYS+ HB2 38 LEU QD1 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 583, 584, 585,
&end
#
# 22 LYS+ HB2 43 TYR QE 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 653, 658,
&end
#
# 22 LYS+ HB3 22 LYS+ QE 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 346, 347,
&end
#
# 22 LYS+ HB3 23 ARG+ HN 1.80 5.29
&rst
ixpk= 0, nxpk= 0, iat= 338, 355, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 22 LYS+ HB3 37 VAL HN 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= 338, 558, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 22 LYS+ HB3 37 VAL QG1 1.80 5.43
&rst
ixpk= 0, nxpk= 0, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 564, 565, 566,
&end
#
# 22 LYS+ HB3 37 VAL QG2 1.80 3.14
&rst
ixpk= 0, nxpk= 0, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 568, 569, 570,
&end
#
# 22 LYS+ HB3 38 LEU QD1 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 583, 584, 585,
&end
#
# 22 LYS+ HB3 38 LEU QD2 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 587, 588, 589,
&end
#
# 22 LYS+ HB3 43 TYR QD 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 651, 660,
&end
#
# 22 LYS+ HB3 43 TYR QE 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 653, 658,
&end
#
# 22 LYS+ HD2 37 VAL QG2 1.80 5.22
&rst
ixpk= 0, nxpk= 0, iat= 343, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2= 568, 569, 570,
&end
#
# 22 LYS+ HD2 38 LEU QD1 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 343, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 583, 584, 585,
&end
#
# 22 LYS+ HD2 38 LEU QD2 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= 343, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 587, 588, 589,
&end
#
# 22 LYS+ HD3 37 VAL QG2 1.80 5.22
&rst
ixpk= 0, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2= 568, 569, 570,
&end
#
# 22 LYS+ HD3 38 LEU QD1 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 583, 584, 585,
&end
#
# 22 LYS+ HD3 38 LEU QD2 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 587, 588, 589,
&end
#
# 22 LYS+ HN 22 LYS+ QG 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2= 340, 341,
&end
#
# 22 LYS+ HN 23 ARG+ HN 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 333, 355, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 22 LYS+ QD 37 VAL QG2 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 343, 344,
igr2= 568, 569, 570,
&end
#
# 22 LYS+ QD 38 LEU QD1 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 343, 344,
igr2= 583, 584, 585,
&end
#
# 22 LYS+ QD 38 LEU QD2 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 343, 344,
igr2= 587, 588, 589,
&end
#
# 22 LYS+ QE 38 LEU HA 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 576, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 346, 347,
&end
#
# 22 LYS+ QE 38 LEU QD1 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 346, 347,
igr2= 583, 584, 585,
&end
#
# 22 LYS+ QE 38 LEU QD2 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 346, 347,
igr2= 587, 588, 589,
&end
#
# 22 LYS+ QG 22 LYS+ QE 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 340, 341,
igr2= 346, 347,
&end
#
# 22 LYS+ QG 23 ARG+ HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 355, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 340, 341,
&end
#
# 22 LYS+ QG 37 VAL HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 558, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 340, 341,
&end
#
# 22 LYS+ QG 37 VAL QG2 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 340, 341,
igr2= 568, 569, 570,
&end
#
# 23 ARG+ HA 23 ARG+ HD2 1.80 4.96
&rst
ixpk= 0, nxpk= 0, iat= 357, 365, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 23 ARG+ HA 23 ARG+ HG3 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= 357, 363, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 23 ARG+ HA 24 GLY HA3 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= 357, 382, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 23 ARG+ HA 24 GLY HN 1.80 2.88
&rst
ixpk= 0, nxpk= 0, iat= 357, 379, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end
#
# 23 ARG+ HA 37 VAL HN 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 357, 558, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 23 ARG+ HA 37 VAL QG1 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 564, 565, 566,
&end
#
# 23 ARG+ HA 43 TYR HB2 1.80 5.11
&rst
ixpk= 0, nxpk= 0, iat= 357, 647, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 23 ARG+ HA 43 TYR QD 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 651, 660,
&end
#
# 23 ARG+ HA 43 TYR QE 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 653, 658,
&end
#
# 23 ARG+ HB2 23 ARG+ HD2 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= 359, 365, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 23 ARG+ HB2 23 ARG+ HD3 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= 359, 366, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 23 ARG+ HB2 24 GLY HN 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 359, 379, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 23 ARG+ HB2 25 LEU QD2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 359, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 399, 400, 401,
&end
#
# 23 ARG+ HB2 37 VAL QG1 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 359, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 564, 565, 566,
&end
#
# 23 ARG+ HB2 43 TYR QD 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 359, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 651, 660,
&end
#
# 23 ARG+ HB2 43 TYR QE 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 359, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 653, 658,
&end
#
# 23 ARG+ HB3 23 ARG+ HD2 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 360, 365, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 23 ARG+ HB3 23 ARG+ HD3 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= 360, 366, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 23 ARG+ HB3 43 TYR QD 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 651, 660,
&end
#
# 23 ARG+ HB3 43 TYR QE 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 653, 658,
&end
#
# 23 ARG+ HD2 43 TYR HH 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 365, 656, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 23 ARG+ HD2 43 TYR QD 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 651, 660,
&end
#
# 23 ARG+ HD2 43 TYR QE 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 653, 658,
&end
#
# 23 ARG+ HD3 25 LEU QD1 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 395, 396, 397,
&end
#
# 23 ARG+ HD3 25 LEU QD2 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 399, 400, 401,
&end
#
# 23 ARG+ HD3 43 TYR HH 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 366, 656, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 23 ARG+ HD3 43 TYR QE 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 653, 658,
&end
#
# 23 ARG+ HG2 24 GLY HN 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 362, 379, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 23 ARG+ HG2 25 LEU QD2 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= 362, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 399, 400, 401,
&end
#
# 23 ARG+ HG2 43 TYR HB2 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat= 362, 647, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 23 ARG+ HG2 43 TYR HH 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat= 362, 656, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 23 ARG+ HG2 43 TYR QD 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 362, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 651, 660,
&end
#
# 23 ARG+ HG3 24 GLY HA3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 363, 382, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 ARG+ HG3 24 GLY HN 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 363, 379, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 23 ARG+ HG3 36 CYM HA 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= 363, 550, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 23 ARG+ HG3 43 TYR HB2 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 363, 647, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 23 ARG+ HG3 43 TYR HB3 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= 363, 648, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 23 ARG+ HG3 43 TYR HH 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 363, 656, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 23 ARG+ HG3 43 TYR QD 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 651, 660,
&end
#
# 23 ARG+ HG3 43 TYR QE 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 653, 658,
&end
#
# 23 ARG+ HN 23 ARG+ HB2 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= 355, 359, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 23 ARG+ HN 23 ARG+ HB3 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= 355, 360, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 23 ARG+ HN 37 VAL QG1 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 355, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 564, 565, 566,
&end
#
# 23 ARG+ HN 37 VAL QG2 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= 355, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 568, 569, 570,
&end
#
# 24 GLY HA2 25 LEU HN 1.80 3.02
&rst
ixpk= 0, nxpk= 0, iat= 381, 386, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 24 GLY HA2 37 VAL QG1 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 564, 565, 566,
&end
#
# 24 GLY HA3 25 LEU HA 1.80 5.11
&rst
ixpk= 0, nxpk= 0, iat= 382, 388, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 24 GLY HA3 25 LEU HN 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= 382, 386, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 24 GLY HA3 25 LEU QD2 1.80 5.04
&rst
ixpk= 0, nxpk= 0, iat= 382, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2= 399, 400, 401,
&end
#
# 24 GLY HA3 35 PHE HN 1.80 5.22
&rst
ixpk= 0, nxpk= 0, iat= 382, 528, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 24 GLY HA3 35 PHE HZ 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 382, 540, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 GLY HA3 35 PHE QD 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= 382, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 536, 544,
&end
#
# 24 GLY HA3 35 PHE QE 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= 382, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 538, 542,
&end
#
# 24 GLY HA3 37 VAL QG1 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 382, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 564, 565, 566,
&end
#
# 24 GLY HA3 37 VAL QG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 382, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 568, 569, 570,
&end
#
# 24 GLY HN 25 LEU HN 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 379, 386, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 24 GLY HN 25 LEU QD2 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 399, 400, 401,
&end
#
# 24 GLY HN 35 PHE HN 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 379, 528, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 24 GLY HN 35 PHE QD 1.80 5.17
&rst
ixpk= 0, nxpk= 0, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 536, 544,
&end
#
# 24 GLY HN 37 VAL HN 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat= 379, 558, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 24 GLY HN 37 VAL QG1 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 564, 565, 566,
&end
#
# 24 GLY HN 43 TYR QD 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 651, 660,
&end
#
# 24 GLY HN 43 TYR QE 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 653, 658,
&end
#
# 25 LEU HA 25 LEU HG 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 388, 393, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 25 LEU HA 25 LEU QD1 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 395, 396, 397,
&end
#
# 25 LEU HA 25 LEU QD2 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 399, 400, 401,
&end
#
# 25 LEU HA 26 CYM HB2 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= 388, 410, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 25 LEU HA 26 CYM HB3 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= 388, 409, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 25 LEU HA 26 CYM HN 1.80 2.81
&rst
ixpk= 0, nxpk= 0, iat= 388, 405, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31, &end
#
# 25 LEU HA 34 ASP- HA 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= 388, 518, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 25 LEU HA 34 ASP- HB2 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= 388, 520, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 25 LEU HA 35 PHE QD 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 536, 544,
&end
#
# 25 LEU HA 35 PHE QE 1.80 4.85
&rst
ixpk= 0, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 538, 542,
&end
#
# 25 LEU HB2 25 LEU QD1 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 395, 396, 397,
&end
#
# 25 LEU HB2 25 LEU QD2 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 399, 400, 401,
&end
#
# 25 LEU HB2 26 CYM HN 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 390, 405, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 25 LEU HB3 25 LEU QD1 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 395, 396, 397,
&end
#
# 25 LEU HB3 25 LEU QD2 1.80 3.06
&rst
ixpk= 0, nxpk= 0, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2= 399, 400, 401,
&end
#
# 25 LEU HB3 26 CYM HN 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 391, 405, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 25 LEU HB3 33 PHE HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 391, 496, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 LEU HB3 34 ASP- HA 1.80 5.29
&rst
ixpk= 0, nxpk= 0, iat= 391, 518, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 25 LEU HG 26 CYM HN 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 393, 405, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 25 LEU HG 34 ASP- HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 393, 518, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 LEU HN 25 LEU HB2 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 386, 390, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 25 LEU HN 25 LEU HB3 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= 386, 391, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 25 LEU HN 25 LEU HG 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= 386, 393, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 25 LEU HN 25 LEU QD1 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat= 386, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2= 395, 396, 397,
&end
#
# 25 LEU HN 25 LEU QD2 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 386, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 399, 400, 401,
&end
#
# 25 LEU HN 26 CYM HN 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= 386, 405, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 25 LEU HN 35 PHE QE 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= 386, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 538, 542,
&end
#
# 25 LEU QD1 34 ASP- HB2 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 395, 396, 397,
&end
#
# 25 LEU QD2 26 CYM HN 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 405, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 399, 400, 401,
&end
#
# 25 LEU QD2 33 PHE HN 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 399, 400, 401,
&end
#
# 25 LEU QD2 33 PHE QD 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 399, 400, 401,
igr2= 504, 512,
&end
#
# 25 LEU QD2 34 ASP- HA 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 399, 400, 401,
&end
#
# 25 LEU QD2 34 ASP- HB2 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 399, 400, 401,
&end
#
# 25 LEU QD2 34 ASP- HB3 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 399, 400, 401,
&end
#
# 25 LEU QD2 34 ASP- HN 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 516, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 399, 400, 401,
&end
#
# 25 LEU QD2 35 PHE HN 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 528, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 399, 400, 401,
&end
#
# 26 CYM HA 27 SER HN 1.80 2.77
&rst
ixpk= 0, nxpk= 0, iat= 407, 415, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27, &end
#
# 26 CYM HA 28 ARG+ HN 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= 407, 426, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 26 CYM HA 33 PHE HN 1.80 4.85
&rst
ixpk= 0, nxpk= 0, iat= 407, 496, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 26 CYM HA 35 PHE QE 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat= 407, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 538, 542,
&end
#
# 26 CYM HB2 27 SER HN 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 410, 415, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 26 CYM HB2 33 PHE HN 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat= 410, 496, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 26 CYM HB2 35 PHE QD 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 410, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 536, 544,
&end
#
# 26 CYM HB2 35 PHE QE 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= 410, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 538, 542,
&end
#
# 26 CYM HB3 28 ARG+ HN 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= 409, 426, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 26 CYM HB3 32 GLY HA2 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= 409, 491, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 26 CYM HB3 32 GLY HA3 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= 409, 492, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 26 CYM HB3 32 GLY HN 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat= 409, 489, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 26 CYM HB3 33 PHE HN 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat= 409, 496, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 26 CYM HB3 35 PHE QE 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 538, 542,
&end
#
# 26 CYM HN 26 CYM HB2 1.80 3.14
&rst
ixpk= 0, nxpk= 0, iat= 405, 410, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 26 CYM HN 26 CYM HB3 1.80 3.13
&rst
ixpk= 0, nxpk= 0, iat= 405, 409, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 26 CYM HN 27 SER HN 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= 405, 415, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 26 CYM HN 32 GLY QA 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 491, 492,
&end
#
# 26 CYM HN 33 PHE HB2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 405, 500, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 CYM HN 33 PHE HN 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 405, 496, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 26 CYM HN 34 ASP- HA 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= 405, 518, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 26 CYM HN 35 PHE QD 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 536, 544,
&end
#
# 26 CYM HN 35 PHE QE 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 538, 542,
&end
#
# 27 SER HN 27 SER HB2 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 415, 419, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 27 SER HN 27 SER HB3 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 415, 420, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 27 SER HN 27 SER QB 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 419, 420,
&end
#
# 27 SER HN 28 ARG+ HN 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= 415, 426, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 27 SER QB 28 ARG+ HB2 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 430, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 419, 420,
&end
#
# 27 SER QB 28 ARG+ HN 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 426, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 419, 420,
&end
#
# 28 ARG+ HA 28 ARG+ HD2 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= 428, 436, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 28 ARG+ HA 28 ARG+ HD3 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= 428, 437, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 28 ARG+ HA 28 ARG+ HG2 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= 428, 433, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 28 ARG+ HA 28 ARG+ HG3 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= 428, 434, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 28 ARG+ HA 29 LEU HN 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= 428, 450, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 28 ARG+ HB2 28 ARG+ QD 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 436, 437,
&end
#
# 28 ARG+ HB2 31 CYM HB2 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= 430, 484, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 28 ARG+ HB2 31 CYM HB3 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= 430, 483, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 28 ARG+ HB3 28 ARG+ HD2 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 431, 436, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 28 ARG+ HB3 28 ARG+ HD3 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 431, 437, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 28 ARG+ HB3 28 ARG+ QD 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 431, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 436, 437,
&end
#
# 28 ARG+ HB3 31 CYM HB2 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= 431, 484, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 28 ARG+ HB3 31 CYM HB3 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= 431, 483, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 28 ARG+ HB3 31 CYM HN 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 431, 479, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 28 ARG+ HB3 32 GLY HN 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 431, 489, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 28 ARG+ HB3 32 GLY QA 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 431, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 491, 492,
&end
#
# 28 ARG+ HD2 30 ALA QB 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= 436, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 473, 474, 475,
&end
#
# 28 ARG+ HD2 31 CYM HB2 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 436, 484, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 28 ARG+ HD3 30 ALA QB 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= 437, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 473, 474, 475,
&end
#
# 28 ARG+ HD3 31 CYM HB2 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 437, 484, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 28 ARG+ HG2 30 ALA HN 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= 433, 469, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 28 ARG+ HG2 31 CYM HN 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 433, 479, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 28 ARG+ HG2 32 GLY HN 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= 433, 489, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 28 ARG+ HG3 29 LEU HN 1.80 5.01
&rst
ixpk= 0, nxpk= 0, iat= 434, 450, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 28 ARG+ HG3 30 ALA HN 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 434, 469, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 28 ARG+ HG3 31 CYM HB3 1.80 5.06
&rst
ixpk= 0, nxpk= 0, iat= 434, 483, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 28 ARG+ HG3 31 CYM HN 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 434, 479, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 28 ARG+ HG3 32 GLY HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 434, 489, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 ARG+ HN 28 ARG+ HB2 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= 426, 430, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 28 ARG+ HN 28 ARG+ HB3 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat= 426, 431, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 28 ARG+ HN 28 ARG+ HG2 1.80 5.07
&rst
ixpk= 0, nxpk= 0, iat= 426, 433, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 28 ARG+ HN 28 ARG+ HG3 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 426, 434, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 28 ARG+ HN 28 ARG+ QD 1.80 5.12
&rst
ixpk= 0, nxpk= 0, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 436, 437,
&end
#
# 28 ARG+ HN 31 CYM HB2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 426, 484, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 ARG+ HN 31 CYM HB3 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat= 426, 483, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 28 ARG+ HN 31 CYM HN 1.80 5.11
&rst
ixpk= 0, nxpk= 0, iat= 426, 479, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 28 ARG+ HN 32 GLY HN 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 426, 489, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 ARG+ QD 30 ALA QB 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 436, 437,
igr2= 473, 474, 475,
&end
#
# 28 ARG+ QD 31 CYM HB2 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 436, 437,
&end
#
# 29 LEU HA 29 LEU HG 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= 452, 457, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 29 LEU HA 29 LEU QD1 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 459, 460, 461,
&end
#
# 29 LEU HA 29 LEU QD2 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2= 463, 464, 465,
&end
#
# 29 LEU HA 31 CYM HN 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 452, 479, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 29 LEU HB2 29 LEU QD1 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 459, 460, 461,
&end
#
# 29 LEU HB2 30 ALA HN 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 454, 469, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 29 LEU HB3 29 LEU QD1 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 459, 460, 461,
&end
#
# 29 LEU HB3 30 ALA HN 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 455, 469, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 29 LEU HN 29 LEU HB2 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 450, 454, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 29 LEU HN 29 LEU HB3 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 450, 455, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 29 LEU HN 29 LEU HG 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 450, 457, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 29 LEU HN 29 LEU QB 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 454, 455,
&end
#
# 29 LEU HN 30 ALA HN 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 450, 469, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 29 LEU QB 29 LEU QD1 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 454, 455,
igr2= 459, 460, 461,
&end
#
# 29 LEU QB 29 LEU QD2 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 454, 455,
igr2= 463, 464, 465,
&end
#
# 29 LEU QB 30 ALA HN 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 469, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 454, 455,
&end
#
# 30 ALA HN 30 ALA QB 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 473, 474, 475,
&end
#
# 30 ALA HN 31 CYM HN 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 469, 479, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 30 ALA QB 31 CYM HA 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 481, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 473, 474, 475,
&end
#
# 30 ALA QB 31 CYM HB2 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 473, 474, 475,
&end
#
# 30 ALA QB 31 CYM HB3 1.80 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 483, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 473, 474, 475,
&end
#
# 30 ALA QB 31 CYM HN 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 479, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 473, 474, 475,
&end
#
# 30 ALA QB 32 GLY HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 489, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 473, 474, 475,
&end
#
# 31 CYM HB2 32 GLY HN 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= 484, 489, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 31 CYM HB3 32 GLY HN 1.80 3.04
&rst
ixpk= 0, nxpk= 0, iat= 483, 489, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 31 CYM HB3 32 GLY QA 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 491, 492,
&end
#
# 31 CYM HN 31 CYM HB2 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= 479, 484, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 31 CYM HN 31 CYM HB3 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= 479, 483, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 31 CYM HN 32 GLY HN 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat= 479, 489, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 31 CYM HN 32 GLY QA 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 491, 492,
&end
#
# 32 GLY HN 33 PHE HB2 1.80 5.27
&rst
ixpk= 0, nxpk= 0, iat= 489, 500, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 33 PHE HA 33 PHE QD 1.80 3.08
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2= 504, 512,
&end
#
# 33 PHE HA 34 ASP- HB2 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 498, 520, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 33 PHE HA 34 ASP- HN 1.80 2.87
&rst
ixpk= 0, nxpk= 0, iat= 498, 516, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end
#
# 33 PHE HB2 34 ASP- HN 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= 500, 516, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 33 PHE HB2 35 PHE QD 1.80 5.07
&rst
ixpk= 0, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 536, 544,
&end
#
# 33 PHE HB3 34 ASP- HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 501, 516, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 33 PHE HB3 35 PHE QD 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 501, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 536, 544,
&end
#
# 33 PHE HN 33 PHE HB2 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= 496, 500, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 33 PHE HN 33 PHE HB3 1.80 2.98
&rst
ixpk= 0, nxpk= 0, iat= 496, 501, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 33 PHE HN 33 PHE QD 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 504, 512,
&end
#
# 33 PHE HN 34 ASP- HN 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat= 496, 516, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 33 PHE HZ 35 PHE HB2 1.80 5.09
&rst
ixpk= 0, nxpk= 0, iat= 508, 532, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 33 PHE HZ 41 CYS HA 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 508, 624, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 33 PHE HZ 41 CYS HB3 1.80 5.48
&rst
ixpk= 0, nxpk= 0, iat= 508, 627, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 33 PHE HZ 42 ALA HA 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= 508, 635, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 33 PHE HZ 42 ALA HN 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= 508, 633, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 33 PHE HZ 42 ALA QB 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 637, 638, 639,
&end
#
# 33 PHE QD 34 ASP- HB2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 504, 512,
&end
#
# 33 PHE QD 35 PHE HB2 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 504, 512,
&end
#
# 33 PHE QD 35 PHE HB3 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 504, 512,
&end
#
# 33 PHE QD 35 PHE HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 528, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 504, 512,
&end
#
# 33 PHE QD 35 PHE QD 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 504, 512,
igr2= 536, 544,
&end
#
# 33 PHE QD 42 ALA HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 504, 512,
&end
#
# 33 PHE QE 34 ASP- HB3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 506, 510,
&end
#
# 33 PHE QE 35 PHE HB2 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 506, 510,
&end
#
# 33 PHE QE 35 PHE HB3 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 506, 510,
&end
#
# 33 PHE QE 35 PHE HN 1.80 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 528, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 506, 510,
&end
#
# 33 PHE QE 41 CYS HA 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 624, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 506, 510,
&end
#
# 33 PHE QE 42 ALA HA 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 506, 510,
&end
#
# 33 PHE QE 42 ALA HN 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 633, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 506, 510,
&end
#
# 33 PHE QE 42 ALA QB 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 506, 510,
igr2= 637, 638, 639,
&end
#
# 34 ASP- HA 35 PHE HN 1.80 2.92
&rst
ixpk= 0, nxpk= 0, iat= 518, 528, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 34 ASP- HA 35 PHE QD 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2= 536, 544,
&end
#
# 34 ASP- HB3 35 PHE HN 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= 521, 528, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 34 ASP- HN 34 ASP- HB2 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= 516, 520, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 34 ASP- HN 34 ASP- HB3 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= 516, 521, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 34 ASP- HN 35 PHE HN 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= 516, 528, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 34 ASP- HN 35 PHE QD 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= 516, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 536, 544,
&end
#
# 35 PHE HA 35 PHE QD 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 536, 544,
&end
#
# 35 PHE HA 36 CYM HB2 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 530, 553, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 35 PHE HA 36 CYM HN 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 530, 548, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 35 PHE HA 42 ALA HA 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= 530, 635, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 35 PHE HA 42 ALA QB 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2= 637, 638, 639,
&end
#
# 35 PHE HA 43 TYR HA 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 530, 645, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 35 PHE HA 43 TYR HB2 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 530, 647, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 35 PHE HA 43 TYR HB3 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= 530, 648, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 35 PHE HA 43 TYR HN 1.80 2.95
&rst
ixpk= 0, nxpk= 0, iat= 530, 643, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 35 PHE HB2 36 CYM HN 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= 532, 548, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 35 PHE HB2 40 LEU HA 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= 532, 605, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 35 PHE HB2 40 LEU QD2 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 616, 617, 618,
&end
#
# 35 PHE HB2 41 CYS HN 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= 532, 622, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 35 PHE HB2 42 ALA HA 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 532, 635, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 35 PHE HB3 36 CYM HN 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= 533, 548, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 35 PHE HB3 40 LEU HA 1.80 5.38
&rst
ixpk= 0, nxpk= 0, iat= 533, 605, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 35 PHE HB3 42 ALA HA 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 533, 635, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 35 PHE HB3 43 TYR HN 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 533, 643, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 35 PHE HN 35 PHE HB2 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 528, 532, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 35 PHE HN 35 PHE HB3 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= 528, 533, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 35 PHE HN 35 PHE QD 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 528, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 536, 544,
&end
#
# 35 PHE HN 35 PHE QE 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= 528, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 538, 542,
&end
#
# 35 PHE HN 36 CYM HN 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat= 528, 548, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 35 PHE HN 43 TYR HB2 1.80 5.18
&rst
ixpk= 0, nxpk= 0, iat= 528, 647, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 35 PHE HN 43 TYR HN 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat= 528, 643, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 35 PHE QD 36 CYM HN 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 548, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 536, 544,
&end
#
# 35 PHE QD 37 VAL HA 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 536, 544,
&end
#
# 35 PHE QD 37 VAL QG1 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 536, 544,
igr2= 564, 565, 566,
&end
#
# 35 PHE QD 40 LEU HA 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 605, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 536, 544,
&end
#
# 35 PHE QD 40 LEU HN 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 603, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 536, 544,
&end
#
# 35 PHE QD 40 LEU QD2 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 536, 544,
igr2= 616, 617, 618,
&end
#
# 35 PHE QD 41 CYS HN 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 622, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 536, 544,
&end
#
# 35 PHE QE 37 VAL HA 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 538, 542,
&end
#
# 35 PHE QE 37 VAL QG1 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 538, 542,
igr2= 564, 565, 566,
&end
#
# 35 PHE QE 37 VAL QG2 1.80 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 538, 542,
igr2= 568, 569, 570,
&end
#
# 35 PHE QE 40 LEU HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 603, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 538, 542,
&end
#
# 35 PHE QE 40 LEU QD2 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 538, 542,
igr2= 616, 617, 618,
&end
#
# 36 CYM HA 37 VAL HN 1.80 2.85
&rst
ixpk= 0, nxpk= 0, iat= 550, 558, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, &end
#
# 36 CYM HA 37 VAL QG1 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= 550, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 564, 565, 566,
&end
#
# 36 CYM HA 37 VAL QG2 1.80 5.12
&rst
ixpk= 0, nxpk= 0, iat= 550, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2= 568, 569, 570,
&end
#
# 36 CYM HA 38 LEU HN 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= 550, 574, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 36 CYM HA 43 TYR HA 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= 550, 645, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 36 CYM HA 43 TYR HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 550, 643, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 CYM HA 43 TYR QD 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat= 550, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 651, 660,
&end
#
# 36 CYM HB2 37 VAL HN 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 553, 558, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 36 CYM HB2 38 LEU HN 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= 553, 574, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 36 CYM HB2 41 CYS HN 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= 553, 622, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 36 CYM HB2 44 HIS HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 553, 666, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 CYM HB2 44 HIS HD2 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= 553, 677, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 36 CYM HB2 44 HIS HN 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 553, 664, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 36 CYM HB3 37 VAL HN 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 552, 558, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 36 CYM HB3 38 LEU HN 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= 552, 574, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 36 CYM HB3 39 CYM HN 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 552, 593, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 36 CYM HB3 40 LEU HN 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= 552, 603, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 36 CYM HB3 41 CYS HN 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 552, 622, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 36 CYM HB3 43 TYR HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 552, 645, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 36 CYM HB3 43 TYR QD 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 651, 660,
&end
#
# 36 CYM HB3 44 HIS HD2 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 552, 677, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 36 CYM HB3 44 HIS HN 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= 552, 664, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 36 CYM HN 36 CYM HB2 1.80 3.09
&rst
ixpk= 0, nxpk= 0, iat= 548, 553, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 36 CYM HN 36 CYM HB3 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 548, 552, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 36 CYM HN 37 VAL HN 1.80 5.33
&rst
ixpk= 0, nxpk= 0, iat= 548, 558, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 36 CYM HN 41 CYS HN 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 548, 622, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 36 CYM HN 43 TYR HA 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 548, 645, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 36 CYM HN 43 TYR HN 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 548, 643, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 36 CYM HN 43 TYR QD 1.80 5.29
&rst
ixpk= 0, nxpk= 0, iat= 548, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 651, 660,
&end
#
# 36 CYM HN 44 HIS HD2 1.80 5.32
&rst
ixpk= 0, nxpk= 0, iat= 548, 677, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 37 VAL HA 37 VAL HB 1.80 2.89
&rst
ixpk= 0, nxpk= 0, iat= 560, 562, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 37 VAL HA 37 VAL QG1 1.80 3.02
&rst
ixpk= 0, nxpk= 0, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 564, 565, 566,
&end
#
# 37 VAL HA 37 VAL QG2 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2= 568, 569, 570,
&end
#
# 37 VAL HA 40 LEU HG 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= 560, 610, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 37 VAL HA 40 LEU HN 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= 560, 603, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 37 VAL HA 40 LEU QD2 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 616, 617, 618,
&end
#
# 37 VAL HB 38 LEU HN 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= 562, 574, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 37 VAL HN 37 VAL HB 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= 558, 562, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 37 VAL HN 37 VAL QG1 1.80 3.04
&rst
ixpk= 0, nxpk= 0, iat= 558, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 564, 565, 566,
&end
#
# 37 VAL HN 37 VAL QG2 1.80 3.02
&rst
ixpk= 0, nxpk= 0, iat= 558, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 568, 569, 570,
&end
#
# 37 VAL HN 38 LEU HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 558, 576, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 VAL HN 38 LEU HG 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat= 558, 581, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 37 VAL HN 38 LEU HN 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= 558, 574, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 37 VAL QG1 38 LEU HN 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 574, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 564, 565, 566,
&end
#
# 37 VAL QG2 38 LEU HA 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 576, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 568, 569, 570,
&end
#
# 37 VAL QG2 38 LEU HG 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 581, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 568, 569, 570,
&end
#
# 37 VAL QG2 38 LEU HN 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 574, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 568, 569, 570,
&end
#
# 38 LEU HA 38 LEU HG 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 576, 581, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 38 LEU HA 38 LEU QD1 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2= 583, 584, 585,
&end
#
# 38 LEU HA 38 LEU QD2 1.80 2.79
&rst
ixpk= 0, nxpk= 0, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,
igr2= 587, 588, 589,
&end
#
# 38 LEU HB2 38 LEU QD1 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 583, 584, 585,
&end
#
# 38 LEU HB2 38 LEU QD2 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 587, 588, 589,
&end
#
# 38 LEU HB2 39 CYM HB3 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 578, 597, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 38 LEU HB2 39 CYM HN 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat= 578, 593, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 38 LEU HB2 40 LEU HN 1.80 4.85
&rst
ixpk= 0, nxpk= 0, iat= 578, 603, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 38 LEU HB3 38 LEU QD1 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat= 579, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 583, 584, 585,
&end
#
# 38 LEU HB3 38 LEU QD2 1.80 3.08
&rst
ixpk= 0, nxpk= 0, iat= 579, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 587, 588, 589,
&end
#
# 38 LEU HB3 39 CYM HA 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat= 579, 595, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 38 LEU HB3 39 CYM HN 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 579, 593, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 38 LEU HG 39 CYM HN 1.80 5.11
&rst
ixpk= 0, nxpk= 0, iat= 581, 593, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 38 LEU HN 38 LEU HB2 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= 574, 578, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 38 LEU HN 38 LEU HB3 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 574, 579, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 38 LEU HN 38 LEU HG 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat= 574, 581, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 38 LEU HN 38 LEU QD1 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= 574, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 583, 584, 585,
&end
#
# 38 LEU HN 38 LEU QD2 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= 574, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 587, 588, 589,
&end
#
# 38 LEU HN 39 CYM HN 1.80 3.08
&rst
ixpk= 0, nxpk= 0, iat= 574, 593, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 38 LEU HN 40 LEU HN 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 574, 603, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 38 LEU HN 40 LEU QD2 1.80 5.20
&rst
ixpk= 0, nxpk= 0, iat= 574, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 616, 617, 618,
&end
#
# 39 CYM HA 39 CYM HB2 1.80 2.94
&rst
ixpk= 0, nxpk= 0, iat= 595, 598, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 39 CYM HA 39 CYM HB3 1.80 3.02
&rst
ixpk= 0, nxpk= 0, iat= 595, 597, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 39 CYM HA 40 LEU HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 595, 605, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 CYM HA 40 LEU HG 1.80 5.31
&rst
ixpk= 0, nxpk= 0, iat= 595, 610, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 39 CYM HA 40 LEU QD1 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= 595, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 612, 613, 614,
&end
#
# 39 CYM HA 49 CYM HB3 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat= 595, 730, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 39 CYM HB2 40 LEU HN 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= 598, 603, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 39 CYM HB2 49 CYM HB3 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 598, 730, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 39 CYM HB3 40 LEU HN 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= 597, 603, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 39 CYM HB3 49 CYM HB2 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= 597, 731, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 39 CYM HB3 49 CYM HB3 1.80 3.17
&rst
ixpk= 0, nxpk= 0, iat= 597, 730, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 39 CYM HN 39 CYM HB2 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= 593, 598, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 39 CYM HN 39 CYM HB3 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= 593, 597, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 40 LEU HA 40 LEU HG 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 605, 610, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 40 LEU HA 40 LEU QD2 1.80 2.84
&rst
ixpk= 0, nxpk= 0, iat= 605, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr2= 616, 617, 618,
&end
#
# 40 LEU HA 41 CYS HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 605, 624, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 LEU HA 41 CYS HN 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= 605, 622, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 40 LEU HB2 40 LEU QD1 1.80 2.92
&rst
ixpk= 0, nxpk= 0, iat= 607, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2= 612, 613, 614,
&end
#
# 40 LEU HB2 40 LEU QD2 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 607, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 616, 617, 618,
&end
#
# 40 LEU HB3 40 LEU QD1 1.80 3.06
&rst
ixpk= 0, nxpk= 0, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2= 612, 613, 614,
&end
#
# 40 LEU HB3 40 LEU QD2 1.80 2.84
&rst
ixpk= 0, nxpk= 0, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr2= 616, 617, 618,
&end
#
# 40 LEU HB3 41 CYS HN 1.80 5.31
&rst
ixpk= 0, nxpk= 0, iat= 608, 622, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 40 LEU HN 40 LEU HA 1.80 2.82
&rst
ixpk= 0, nxpk= 0, iat= 603, 605, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, &end
#
# 40 LEU HN 40 LEU HG 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 603, 610, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 40 LEU HN 40 LEU QD2 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= 603, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 616, 617, 618,
&end
#
# 40 LEU QD2 41 CYS HN 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 622, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 616, 617, 618,
&end
#
# 41 CYS HA 42 ALA HA 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat= 624, 635, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 41 CYS HA 42 ALA HN 1.80 3.19
&rst
ixpk= 0, nxpk= 0, iat= 624, 633, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 41 CYS HA 42 ALA QB 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= 624, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 637, 638, 639,
&end
#
# 41 CYS HB2 42 ALA HN 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= 626, 633, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 41 CYS HB2 42 ALA QB 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 626, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 637, 638, 639,
&end
#
# 41 CYS HB3 42 ALA HN 1.80 2.88
&rst
ixpk= 0, nxpk= 0, iat= 627, 633, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end
#
# 41 CYS HB3 42 ALA QB 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 637, 638, 639,
&end
#
# 41 CYS HN 41 CYS HB2 1.80 3.04
&rst
ixpk= 0, nxpk= 0, iat= 622, 626, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 41 CYS HN 41 CYS HB3 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= 622, 627, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 42 ALA HA 43 TYR HB2 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= 635, 647, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 42 ALA HA 43 TYR HB3 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat= 635, 648, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 42 ALA HA 43 TYR HN 1.80 2.79
&rst
ixpk= 0, nxpk= 0, iat= 635, 643, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29, &end
#
# 42 ALA HN 42 ALA QB 1.80 2.77
&rst
ixpk= 0, nxpk= 0, iat= 633, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr2= 637, 638, 639,
&end
#
# 42 ALA QB 43 TYR HB3 1.80 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 648, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 637, 638, 639,
&end
#
# 42 ALA QB 43 TYR HN 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 637, 638, 639,
&end
#
# 43 TYR HA 43 TYR QD 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= 645, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 651, 660,
&end
#
# 43 TYR HA 43 TYR QE 1.80 5.08
&rst
ixpk= 0, nxpk= 0, iat= 645, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 653, 658,
&end
#
# 43 TYR HA 44 HIS HA 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 645, 666, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 43 TYR HA 44 HIS HD2 1.80 5.09
&rst
ixpk= 0, nxpk= 0, iat= 645, 677, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 43 TYR HA 44 HIS HN 1.80 2.90
&rst
ixpk= 0, nxpk= 0, iat= 645, 664, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 43 TYR HA 45 GLY HN 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= 645, 681, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 43 TYR HB2 44 HIS HN 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat= 647, 664, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 43 TYR HB3 44 HIS HN 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= 648, 664, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 43 TYR HN 43 TYR HB2 1.80 3.13
&rst
ixpk= 0, nxpk= 0, iat= 643, 647, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 43 TYR HN 43 TYR HB3 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat= 643, 648, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 43 TYR HN 43 TYR QD 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 651, 660,
&end
#
# 43 TYR HN 44 HIS HN 1.80 5.01
&rst
ixpk= 0, nxpk= 0, iat= 643, 664, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 43 TYR QD 43 TYR HH 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 656, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 651, 660,
&end
#
# 43 TYR QD 44 HIS HA 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 666, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 651, 660,
&end
#
# 43 TYR QD 44 HIS HN 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 664, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 651, 660,
&end
#
# 43 TYR QD 45 GLY HN 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 681, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 651, 660,
&end
#
# 43 TYR QD 45 GLY QA 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 651, 660,
igr2= 683, 684,
&end
#
# 43 TYR QE 44 HIS HN 1.80 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 664, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 653, 658,
&end
#
# 43 TYR QE 45 GLY HA2 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 683, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 653, 658,
&end
#
# 43 TYR QE 45 GLY HA3 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 684, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 653, 658,
&end
#
# 43 TYR QE 45 GLY HN 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 681, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 653, 658,
&end
#
# 43 TYR QE 45 GLY QA 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 653, 658,
igr2= 683, 684,
&end
#
# 44 HIS HA 44 HIS HD2 1.80 5.20
&rst
ixpk= 0, nxpk= 0, iat= 666, 677, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 44 HIS HA 47 GLU- QB 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= 666, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 703, 704,
&end
#
# 44 HIS HD1 47 GLU- HN 1.80 5.04
&rst
ixpk= 0, nxpk= 0, iat= 672, 699, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 44 HIS HD1 47 GLU- QB 1.80 5.18
&rst
ixpk= 0, nxpk= 0, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 703, 704,
&end
#
# 44 HIS HE1 47 GLU- QB 1.80 5.23
&rst
ixpk= 0, nxpk= 0, iat= 674, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 703, 704,
&end
#
# 44 HIS HE1 49 CYM HA 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= 674, 728, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 44 HIS HE1 49 CYM HB2 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 674, 731, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 44 HIS HE1 49 CYM HB3 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat= 674, 730, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 44 HIS HN 44 HIS HD2 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 664, 677, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 44 HIS HN 45 GLY HN 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat= 664, 681, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 44 HIS QB 47 GLU- QB 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 668, 669,
igr2= 703, 704,
&end
#
# 45 GLY HN 44 HIS HA 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 681, 666, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 45 GLY HN 44 HIS HN 2.50 100.0
&rst
ixpk= 0, nxpk= 0, iat= 681, 664, r1= 2.00, r2= 2.50, r3=100.00, r4=100.50, &end
#
# 45 GLY QA 47 GLU- HN 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 683, 684,
&end
#
# 46 SER HN 46 SER HA 3.00 100.0
&rst
ixpk= 0, nxpk= 0, iat= 688, 690, r1= 2.50, r2= 3.00, r3=100.00, r4=100.50, &end
#
# 46 SER HN 47 GLU- HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 688, 699, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 46 SER QB 47 GLU- HN 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 692, 693,
&end
#
# 47 GLU- HA 47 GLU- QG 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= 701, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2= 706, 707,
&end
#
# 47 GLU- HA 48 ASP- HN 1.80 2.85
&rst
ixpk= 0, nxpk= 0, iat= 701, 714, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, &end
#
# 47 GLU- HA 48 ASP- QB 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= 701, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 718, 719,
&end
#
# 47 GLU- HB2 48 ASP- HN 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 703, 714, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 47 GLU- HB3 48 ASP- HN 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 704, 714, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 47 GLU HN 44 HIS HD2 5.00 100.0
&rst
ixpk= 0, nxpk= 0, iat= 699, 677, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 47 GLU- HN 47 GLU- HB2 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= 699, 703, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 47 GLU- HN 47 GLU- HB3 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= 699, 704, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 47 GLU- HN 47 GLU- QB 1.80 3.07
&rst
ixpk= 0, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr2= 703, 704,
&end
#
# 47 GLU- HN 47 GLU- QG 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 706, 707,
&end
#
# 47 GLU- HN 48 ASP- HN 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= 699, 714, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 47 GLU- QB 48 ASP- HN 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1= 703, 704,
&end
#
# 47 GLU- QG 48 ASP- HN 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 706, 707,
&end
#
# 48 ASP- HA 49 CYM HN 1.80 2.60
&rst
ixpk= 0, nxpk= 0, iat= 716, 726, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 48 ASP- HN 48 ASP- HB2 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= 714, 718, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 48 ASP- HN 48 ASP- HB3 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= 714, 719, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 48 ASP- HN 48 ASP- QB 1.80 2.97
&rst
ixpk= 0, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr2= 718, 719,
&end
#
# 48 ASP- HN 49 CYM HN 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= 714, 726, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 48 ASP- QB 49 CYM HN 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr1= 718, 719,
&end
#
# 49 CYM HA 50 ARG+ HA 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= 728, 738, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 49 CYM HA 50 ARG+ HN 1.80 2.98
&rst
ixpk= 0, nxpk= 0, iat= 728, 736, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 49 CYM HB2 50 ARG+ HN 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 731, 736, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 49 CYM HB2 50 ARG+ QG 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 731, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 743, 744,
&end
#
# 49 CYM HB3 50 ARG+ HN 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= 730, 736, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 49 CYM HB3 50 ARG+ QG 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 730, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 743, 744,
&end
#
# 49 CYM HN 49 CYM HB2 1.80 3.10
&rst
ixpk= 0, nxpk= 0, iat= 726, 731, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 49 CYM HN 49 CYM HB3 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= 726, 730, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 49 CYM HN 50 ARG+ HN 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= 726, 736, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 50 ARG HN 49 CYM HA 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 736, 728, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 50 ARG+ HA 50 ARG+ HG2 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= 738, 743, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 50 ARG+ HA 50 ARG+ HG3 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= 738, 744, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 50 ARG+ HA 50 ARG+ QD 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= 738, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 746, 747,
&end
#
# 50 ARG+ HA 50 ARG+ QG 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= 738, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2= 743, 744,
&end
#
# 50 ARG+ HA 51 ARG+ HN 1.80 3.05
&rst
ixpk= 0, nxpk= 0, iat= 738, 760, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 50 ARG+ HB2 50 ARG+ QD 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= 740, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 746, 747,
&end
#
# 50 ARG+ HB3 50 ARG+ QD 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= 741, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 746, 747,
&end
#
# 50 ARG+ HN 50 ARG+ HB2 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= 736, 740, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 50 ARG+ HN 50 ARG+ HB3 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= 736, 741, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 50 ARG+ HN 50 ARG+ QB 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 740, 741,
&end
#
# 50 ARG+ HN 50 ARG+ QD 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 746, 747,
&end
#
# 50 ARG+ HN 50 ARG+ QG 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 743, 744,
&end
#
# 50 ARG+ QB 50 ARG+ QG 1.80 2.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41,
igr1= 740, 741,
igr2= 743, 744,
&end
#
# 51 ARG+ HA 51 ARG+ QD 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 762, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 770, 771,
&end
#
# 51 ARG+ HA 51 ARG+ QG 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= 762, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 767, 768,
&end
#
# 51 ARG+ HA 52 GLY HN 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat= 762, 784, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 51 ARG+ HB2 51 ARG+ QD 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 764, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 770, 771,
&end
#
# 51 ARG+ HB3 51 ARG+ QD 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 765, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 770, 771,
&end
#
# 51 ARG+ HN 51 ARG+ QB 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= 760, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 764, 765,
&end
#
# 51 ARG+ HN 51 ARG+ QG 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 760, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 767, 768,
&end
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