NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
554734 |
2rsc   |
11468 | cing | 1-original | 3 | AMBER | distance | NOE | simple |
#
# 1 GLY HA2 2 LYS HN 3.23 (#SUP 0.61 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat= 6, 11, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
rk2 = 32.0, rk3 = 32.0, ir6=1, ialtd=0,
&end
#
# 1 GLY HA3 2 LYS HN 3.23 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 7, 11, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 1 GLY QA 2 LYS HA 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 13, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 6, 7,
&end
#
# 1 GLY QA 2 LYS HN 2.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 11, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,
igr1= 6, 7,
&end
#
# 1 GLY QA 2 LYS QB 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 6, 7,
igr2= 15, 16,
&end
#
# 1 GLY QA 39 SER QB 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 6, 7,
igr2= 624, 625,
&end
#
# 2 LYS HA 2 LYS QD 4.67 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 13, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 21, 22,
&end
#
# 2 LYS HA 2 LYS QG 3.68 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 13, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 18, 19,
&end
#
# 2 LYS HA 3 THR HB 5.10 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 13, 37, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 2 LYS HA 3 THR HN 2.56 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 13, 33, r1= 1.30, r2= 1.80, r3= 2.56, r4= 3.06, &end
#
# 2 LYS HN 2 LYS QB 3.17
&rst
ixpk= 0, nxpk= 0, iat= 11, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2= 15, 16,
&end
#
# 2 LYS HN 2 LYS QD 5.03 (#SUP 1.00 #QF 0.91)
&rst
ixpk= 1, nxpk= 0, iat= 11, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2= 21, 22,
&end
#
# 2 LYS HN 2 LYS QG 4.04 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 11, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 18, 19,
&end
#
# 2 LYS HN 3 THR HA 5.39 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= 11, 35, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 2 LYS HN 82 ASP HA 4.39 (#SUP 0.26 #QF 0.26)
&rst
ixpk= 0, nxpk= 0, iat= 11,1272, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 2 LYS QB 2 LYS QE 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 15, 16,
igr2= 24, 25,
&end
#
# 2 LYS QB 3 THR HB 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 37, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 15, 16,
&end
#
# 2 LYS QB 3 THR HN 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 15, 16,
&end
#
# 2 LYS QB 82 ASP HA 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1272, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 15, 16,
&end
#
# 2 LYS QB 82 ASP QB 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 15, 16,
igr2=1274,1275,
&end
#
# 2 LYS QD 3 THR HN 5.48 (#SUP 1.00 #QF 0.91)
&rst
ixpk= 1, nxpk= 0, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 21, 22,
&end
#
# 2 LYS QD 4 PHE QD 4.84 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 21, 22,
igr2= 55, 63,
&end
#
# 2 LYS QD 4 PHE QE 4.35 (#SUP 0.98 #QF 0.51)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 21, 22,
igr2= 57, 61,
&end
#
# 2 LYS QD 82 ASP HA 3.28 (#SUP 0.54 #QF 0.54)
&rst
ixpk= 0, nxpk= 0, iat= -1,1272, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1= 21, 22,
&end
#
# 2 LYS QD 82 ASP HB2 4.24 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1,1274, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 21, 22,
&end
#
# 2 LYS QD 82 ASP HB3 4.24 (#SUP 0.96 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= -1,1275, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 21, 22,
&end
#
# 2 LYS QD 82 ASP QB 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 21, 22,
igr2=1274,1275,
&end
#
# 2 LYS QE 38 THR QG2 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 24, 25,
igr2= 612, 613, 614,
&end
#
# 2 LYS QE 3 THR HN 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 24, 25,
&end
#
# 2 LYS QE 4 PHE QD 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 24, 25,
igr2= 55, 63,
&end
#
# 2 LYS QE 4 PHE QE 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 24, 25,
igr2= 57, 61,
&end
#
# 2 LYS QE 82 ASP QB 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 24, 25,
igr2=1274,1275,
&end
#
# 2 LYS QG 2 LYS HE2 3.75 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, 24, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 18, 19,
&end
#
# 2 LYS QG 2 LYS HE3 3.75 (#SUP 0.98 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat= -1, 25, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 18, 19,
&end
#
# 2 LYS QG 2 LYS QE 3.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 18, 19,
igr2= 24, 25,
&end
#
# 2 LYS QG 38 THR QG2 4.88 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 18, 19,
igr2= 612, 613, 614,
&end
#
# 2 LYS QG 3 THR HN 3.57 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 18, 19,
&end
#
# 2 LYS QG 4 PHE QD 4.42 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 18, 19,
igr2= 55, 63,
&end
#
# 2 LYS QG 4 PHE QE 4.81 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 18, 19,
igr2= 57, 61,
&end
#
# 2 LYS QG 82 ASP HA 4.16 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,1272, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 18, 19,
&end
#
# 2 LYS QG 82 ASP QB 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 18, 19,
igr2=1274,1275,
&end
#
# 3 THR HA 37 ASP QB 4.45
&rst
ixpk= 0, nxpk= 0, iat= 35, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 598, 599,
&end
#
# 3 THR HA 38 THR HN 4.17 (#SUP 0.60 #QF 0.60)
&rst
ixpk= 0, nxpk= 0, iat= 35, 606, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 3 THR HA 3 THR QG2 3.24 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 35, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 39, 40, 41,
&end
#
# 3 THR HA 4 PHE HN 2.75 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= 35, 47, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25, &end
#
# 3 THR HA 4 PHE QD 4.73 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= 35, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 55, 63,
&end
#
# 3 THR HB 37 ASP QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 37, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 598, 599,
&end
#
# 3 THR HB 4 PHE HN 4.12 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 37, 47, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 3 THR HN 3 THR HB 3.27 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 33, 37, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 3 THR HN 3 THR QG2 4.06 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 39, 40, 41,
&end
#
# 3 THR QG2 35 SER QB 4.84 (#SUP 0.74 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 39, 40, 41,
igr2= 563, 564,
&end
#
# 3 THR QG2 36 ARG HB2 3.57 (#SUP 0.60 #QF 0.23)
&rst
ixpk= 0, nxpk= 0, iat= -1, 574, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 39, 40, 41,
&end
#
# 3 THR QG2 37 ASP HA 3.81 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1, 596, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 39, 40, 41,
&end
#
# 3 THR QG2 37 ASP HB2 4.16 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 39, 40, 41,
&end
#
# 3 THR QG2 37 ASP HB3 4.16 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 39, 40, 41,
&end
#
# 3 THR QG2 37 ASP HN 4.39 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1, 594, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 39, 40, 41,
&end
#
# 3 THR QG2 37 ASP QB 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 39, 40, 41,
igr2= 598, 599,
&end
#
# 3 THR QG2 38 THR HN 4.64 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, 606, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 39, 40, 41,
&end
#
# 3 THR QG2 4 PHE HN 3.37 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= -1, 47, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 39, 40, 41,
&end
#
# 4 PHE HB2 36 ARG HA 4.52 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 51, 572, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 4 PHE HB2 36 ARG HB2 4.34 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 51, 574, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 4 PHE HB2 36 ARG HB3 3.81 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 51, 575, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 4 PHE HB2 36 ARG HE 5.50 (#SUP 0.99 #QF 0.37)
&rst
ixpk= 0, nxpk= 0, iat= 51, 583, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 4 PHE HB2 36 ARG QD 4.19
&rst
ixpk= 0, nxpk= 0, iat= 51, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 580, 581,
&end
#
# 4 PHE HB2 38 THR QG2 5.50 (#SUP 0.96 #QF 0.25)
&rst
ixpk= 0, nxpk= 0, iat= 51, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 612, 613, 614,
&end
#
# 4 PHE HB2 5 THR HN 3.78 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 51, 67, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 4 PHE HB2 9 LEU HA 4.45 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 51, 124, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 4 PHE HB2 9 LEU HB2 3.89 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 51, 126, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 4 PHE HB2 9 LEU HN 4.49 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 51, 122, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 4 PHE HB2 9 LEU QD1 4.30 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 51, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 131, 132, 133,
&end
#
# 4 PHE HB3 36 ARG HB3 4.08 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 52, 575, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 4 PHE HB3 5 THR HN 3.35 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= 52, 67, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 4 PHE HB3 8 GLY HA2 5.44 (#SUP 0.63 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat= 52, 117, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 4 PHE HB3 8 GLY HA3 4.97 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 52, 118, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 4 PHE HB3 8 GLY HN 5.30 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 52, 115, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 4 PHE HB3 9 LEU HA 4.14 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 52, 124, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 4 PHE HB3 9 LEU HB2 3.74 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 52, 126, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 4 PHE HB3 9 LEU HB3 4.78 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 52, 127, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 4 PHE HB3 9 LEU HG 5.50 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 52, 129, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 4 PHE HB3 9 LEU HN 3.37 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 52, 122, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 4 PHE HB3 9 LEU QD1 4.31 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 52, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 131, 132, 133,
&end
#
# 4 PHE HN 36 ARG HA 4.69 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 47, 572, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 4 PHE HN 36 ARG HB2 4.13 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 47, 574, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 4 PHE HN 36 ARG HB3 4.49 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 47, 575, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 4 PHE HN 4 PHE HB2 3.20 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 47, 51, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 4 PHE HN 4 PHE HB3 3.78 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 47, 52, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 4 PHE HN 4 PHE QD 3.34 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 47, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 55, 63,
&end
#
# 4 PHE HN 53 LEU QD1 4.75 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 47, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 836, 837, 838,
&end
#
# 4 PHE HN 53 LEU QD2 5.50 (#SUP 0.77 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat= 47, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 840, 841, 842,
&end
#
# 4 PHE HN 9 LEU QD1 5.50 (#SUP 0.77 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat= 47, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 131, 132, 133,
&end
#
# 4 PHE QD 12 GLU HB3 5.06 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 55, 63,
&end
#
# 4 PHE QD 12 GLU HN 4.91 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1, 174, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 55, 63,
&end
#
# 4 PHE QD 12 GLU QG 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 55, 63,
igr2= 181, 182,
&end
#
# 4 PHE QD 36 ARG HA 5.02 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1, 572, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 55, 63,
&end
#
# 4 PHE QD 36 ARG HB2 5.50 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1, 574, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 55, 63,
&end
#
# 4 PHE QD 36 ARG HB3 4.51 (#SUP 0.72 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat= -1, 575, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 55, 63,
&end
#
# 4 PHE QD 36 ARG QD 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 55, 63,
igr2= 580, 581,
&end
#
# 4 PHE QD 38 THR QG2 3.31 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 55, 63,
igr2= 612, 613, 614,
&end
#
# 4 PHE QD 53 LEU QD1 3.82 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 55, 63,
igr2= 836, 837, 838,
&end
#
# 4 PHE QD 53 LEU QD2 4.43 (#SUP 0.53 #QF 0.37)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 55, 63,
igr2= 840, 841, 842,
&end
#
# 4 PHE QD 5 THR HN 4.13 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1, 67, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 55, 63,
&end
#
# 4 PHE QD 84 ILE QD1 5.04 (#SUP 0.43 #QF 0.43)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 55, 63,
igr2=1307,1308,1309,
&end
#
# 4 PHE QD 84 ILE QG2 3.78 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 55, 63,
igr2=1300,1301,1302,
&end
#
# 4 PHE QD 8 GLY HA2 4.78 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 55, 63,
&end
#
# 4 PHE QD 8 GLY HA3 4.17 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1, 118, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 55, 63,
&end
#
# 4 PHE QD 9 LEU HA 4.20 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, 124, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 55, 63,
&end
#
# 4 PHE QD 9 LEU HB2 5.15 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= -1, 126, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 55, 63,
&end
#
# 4 PHE QD 9 LEU HN 4.47 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1, 122, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 55, 63,
&end
#
# 4 PHE QD 9 LEU QD1 3.83 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 55, 63,
igr2= 131, 132, 133,
&end
#
# 4 PHE QE 12 GLU HG2 4.40 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, 181, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 57, 61,
&end
#
# 4 PHE QE 12 GLU HG3 4.40 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 57, 61,
&end
#
# 4 PHE QE 12 GLU QG 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 57, 61,
igr2= 181, 182,
&end
#
# 4 PHE QE 38 THR QG2 4.17 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 57, 61,
igr2= 612, 613, 614,
&end
#
# 4 PHE QE 84 ILE QD1 4.50 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 57, 61,
igr2=1307,1308,1309,
&end
#
# 4 PHE QE 84 ILE QG2 3.57 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr1= 57, 61,
igr2=1300,1301,1302,
&end
#
# 5 THR HA 36 ARG HE 4.26 (#SUP 0.54 #QF 0.54)
&rst
ixpk= 0, nxpk= 0, iat= 69, 583, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 5 THR HA 5 THR QG2 3.69 (#SUP 0.90 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat= 69, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 73, 74, 75,
&end
#
# 5 THR HA 6 ARG HN 3.03 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= 69, 81, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 5 THR HN 5 THR QG2 3.00 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 67, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 73, 74, 75,
&end
#
# 5 THR HN 6 ARG HN 4.73 (#SUP 0.65 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat= 67, 81, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 5 THR HN 8 GLY HA3 3.69 (#SUP 0.52 #QF 0.52)
&rst
ixpk= 0, nxpk= 0, iat= 67, 118, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 5 THR QG2 6 ARG HN 3.65 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= -1, 81, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 73, 74, 75,
&end
#
# 5 THR QG2 7 CYX HN 3.72 (#SUP 0.75 #QF 0.33)
&rst
ixpk= 0, nxpk= 0, iat= -1, 105, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 73, 74, 75,
&end
#
# 5 THR QG2 7 CYX QB 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 73, 74, 75,
igr2= 109, 110,
&end
#
# 5 THR QG2 8 GLY HN 4.41 (#SUP 0.30 #QF 0.30)
&rst
ixpk= 0, nxpk= 0, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 73, 74, 75,
&end
#
# 6 ARG HA 36 ARG HE 4.53 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= 83, 583, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 6 ARG HA 36 ARG QD 3.74
&rst
ixpk= 0, nxpk= 0, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 580, 581,
&end
#
# 6 ARG HA 36 ARG QH1 4.67
&rst
ixpk= 0, nxpk= 0, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 586, 587,
&end
#
# 6 ARG HA 6 ARG HD2 4.73 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= 83, 91, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 6 ARG HA 6 ARG HD3 4.73 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 83, 92, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 6 ARG HA 6 ARG HE 4.87 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 83, 94, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 6 ARG HA 6 ARG QG 3.28 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2= 88, 89,
&end
#
# 6 ARG HA 9 LEU HB2 4.72 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 83, 126, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 6 ARG HA 9 LEU HB3 4.02 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 83, 127, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 6 ARG HA 9 LEU HN 4.55 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 83, 122, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 6 ARG HA 9 LEU QD2 4.05 (#SUP 0.56 #QF 0.56)
&rst
ixpk= 0, nxpk= 0, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 135, 136, 137,
&end
#
# 6 ARG HB2 6 ARG HE 4.58 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 85, 94, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 6 ARG HB2 7 CYX HN 3.87 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 85, 105, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 6 ARG HB3 6 ARG HE 4.58 (#SUP 0.99 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 86, 94, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 6 ARG HB3 7 CYX HN 3.87 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 86, 105, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 6 ARG HE 115 PRO QB 4.89
&rst
ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1824,1825,
&end
#
# 6 ARG HE 115 PRO QG 4.92
&rst
ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1821,1822,
&end
#
# 6 ARG HE 27 VAL QG2 4.51 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 450, 451, 452,
&end
#
# 6 ARG HN 36 ARG HE 4.69 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 81, 583, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 6 ARG HN 36 ARG QD 4.40
&rst
ixpk= 0, nxpk= 0, iat= 81, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 580, 581,
&end
#
# 6 ARG HN 36 ARG QH1 4.17
&rst
ixpk= 0, nxpk= 0, iat= 81, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 586, 587,
&end
#
# 6 ARG HN 36 ARG QH2 4.74
&rst
ixpk= 0, nxpk= 0, iat= 81, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 589, 590,
&end
#
# 6 ARG HN 6 ARG HB2 3.18 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 81, 85, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 6 ARG HN 6 ARG HB3 3.18 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 81, 86, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 6 ARG HN 6 ARG QD 5.02
&rst
ixpk= 0, nxpk= 0, iat= 81, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 91, 92,
&end
#
# 6 ARG QB 6 ARG HE 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 94, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 85, 86,
&end
#
# 6 ARG QB 6 ARG QD 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 85, 86,
igr2= 91, 92,
&end
#
# 6 ARG QB 7 CYX HN 3.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 105, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr1= 85, 86,
&end
#
# 6 ARG QD 115 PRO QB 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 91, 92,
igr2=1824,1825,
&end
#
# 6 ARG QD 115 PRO QG 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 91, 92,
igr2=1821,1822,
&end
#
# 6 ARG QD 117 ILE QG2 3.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 91, 92,
igr2=1849,1850,1851,
&end
#
# 6 ARG QD 27 VAL QG1 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 91, 92,
igr2= 446, 447, 448,
&end
#
# 6 ARG QD 27 VAL QG2 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 91, 92,
igr2= 450, 451, 452,
&end
#
# 6 ARG QD 6 ARG QH1 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 91, 92,
igr2= 97, 98,
&end
#
# 6 ARG QD 7 CYX HN 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 105, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 91, 92,
&end
#
# 6 ARG QG 10 VAL HN 5.25 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 88, 89,
&end
#
# 6 ARG QG 10 VAL QG2 4.26 (#SUP 0.36 #QF 0.36)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 88, 89,
igr2= 151, 152, 153,
&end
#
# 6 ARG QG 117 ILE QG2 3.83 (#SUP 0.87 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 88, 89,
igr2=1849,1850,1851,
&end
#
# 6 ARG QG 27 VAL QG1 4.69 (#SUP 0.96 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 88, 89,
igr2= 446, 447, 448,
&end
#
# 6 ARG QG 27 VAL QG2 3.10 (#SUP 0.21 #QF 0.21)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 88, 89,
igr2= 450, 451, 452,
&end
#
# 6 ARG QG 6 ARG HE 3.59 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, 94, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 88, 89,
&end
#
# 6 ARG QG 7 CYX HA 4.90 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= -1, 107, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 88, 89,
&end
#
# 6 ARG QG 7 CYX HN 5.03 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1, 105, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 88, 89,
&end
#
# 6 ARG QH1 115 PRO QB 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 97, 98,
igr2=1824,1825,
&end
#
# 6 ARG QH1 116 ASP HN 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1831, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 97, 98,
&end
#
# 7 CYX HA 10 VAL HB 4.11 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat= 107, 145, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 7 CYX HA 10 VAL HN 4.12 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= 107, 141, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 7 CYX HA 10 VAL QG1 4.64 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat= 107, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 147, 148, 149,
&end
#
# 7 CYX HA 9 LEU HN 4.86 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 107, 122, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 7 CYX HB2 8 GLY HN 4.18 (#SUP 0.94 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat= 109, 115, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 7 CYX HB3 8 GLY HN 4.18 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 110, 115, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 7 CYX HN 7 CYX HB2 3.64 (#SUP 0.86 #QF 0.64)
&rst
ixpk= 0, nxpk= 0, iat= 105, 109, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 7 CYX HN 7 CYX HB3 3.64 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 105, 110, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 7 CYX HN 7 CYX QB 2.90
&rst
ixpk= 0, nxpk= 0, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2= 109, 110,
&end
#
# 7 CYX HN 8 GLY HN 3.24 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 105, 115, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 7 CYX QB 8 GLY HN 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 109, 110,
&end
#
# 8 GLY HA2 11 HIS HN 4.08 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat= 117, 157, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 8 GLY HA2 11 HIS QB 3.81 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 161, 162,
&end
#
# 8 GLY HA2 12 GLU HN 4.59 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 117, 174, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 8 GLY HA3 10 VAL HN 5.20 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 118, 141, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 8 GLY HA3 11 HIS QB 5.23 (#SUP 0.97 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 118, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 161, 162,
&end
#
# 8 GLY HA3 9 LEU HA 4.71 (#SUP 0.97 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 118, 124, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 8 GLY HA3 9 LEU HN 3.55 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 118, 122, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 8 GLY HN 10 VAL HN 5.03 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 115, 141, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 8 GLY HN 8 GLY HA3 2.92 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 115, 118, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 8 GLY HN 9 LEU HN 3.27 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 115, 122, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 9 LEU HA 12 GLU HA 5.50 (#SUP 0.72 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat= 124, 176, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 LEU HA 12 GLU HB2 4.05 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 124, 178, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 9 LEU HA 12 GLU HB3 3.89 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 124, 179, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 9 LEU HA 12 GLU HN 4.52 (#SUP 0.99 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat= 124, 174, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 9 LEU HA 12 GLU QG 4.66
&rst
ixpk= 0, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2= 181, 182,
&end
#
# 9 LEU HA 13 LEU HG 4.65 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 124, 196, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 9 LEU HA 13 LEU HN 4.44 (#SUP 0.99 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= 124, 189, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 9 LEU HA 13 LEU QD2 4.64 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 202, 203, 204,
&end
#
# 9 LEU HA 9 LEU HG 3.94 (#SUP 1.00 #QF 0.99)
&rst
ixpk= 1, nxpk= 0, iat= 124, 129, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 9 LEU HA 9 LEU QD1 3.02 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 131, 132, 133,
&end
#
# 9 LEU HA 9 LEU QD2 4.21 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 135, 136, 137,
&end
#
# 9 LEU HB2 10 VAL HN 4.18 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 126, 141, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 9 LEU HB2 12 GLU HB3 5.50 (#SUP 0.67 #QF 0.31)
&rst
ixpk= 0, nxpk= 0, iat= 126, 179, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 LEU HB2 13 LEU HG 5.40 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 126, 196, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 9 LEU HB2 27 VAL HB 5.50 (#SUP 0.67 #QF 0.31)
&rst
ixpk= 0, nxpk= 0, iat= 126, 444, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 LEU HB2 36 ARG HB3 5.09 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 126, 575, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 9 LEU HB2 36 ARG QD 4.34
&rst
ixpk= 0, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 580, 581,
&end
#
# 9 LEU HB2 9 LEU QD1 3.21 (#SUP 1.00 #QF 0.95)
&rst
ixpk= 1, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 131, 132, 133,
&end
#
# 9 LEU HB2 9 LEU QD2 3.50 (#SUP 1.00 #QF 0.99)
&rst
ixpk= 1, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 135, 136, 137,
&end
#
# 9 LEU HB3 10 VAL HA 4.75 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 127, 143, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 9 LEU HB3 10 VAL HN 3.29 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 127, 141, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 9 LEU HB3 10 VAL QG2 4.11 (#SUP 0.74 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 151, 152, 153,
&end
#
# 9 LEU HB3 11 HIS HN 5.36 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 127, 157, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 9 LEU HB3 13 LEU QD1 4.51 (#SUP 0.95 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 198, 199, 200,
&end
#
# 9 LEU HB3 31 GLU QG 5.34
&rst
ixpk= 0, nxpk= 0, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 508, 509,
&end
#
# 9 LEU HB3 36 ARG HD2 4.83 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 127, 580, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 9 LEU HB3 36 ARG HD3 4.83 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 127, 581, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 9 LEU HB3 36 ARG QD 4.15
&rst
ixpk= 0, nxpk= 0, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 580, 581,
&end
#
# 9 LEU HB3 9 LEU QD1 3.67 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 131, 132, 133,
&end
#
# 9 LEU HB3 9 LEU QD2 3.51 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 135, 136, 137,
&end
#
# 9 LEU HG 10 VAL HA 4.38 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 129, 143, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 9 LEU HG 10 VAL HN 4.48 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 129, 141, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 9 LEU HG 13 LEU HN 4.50 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= 129, 189, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 9 LEU HG 13 LEU QD1 3.63 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 198, 199, 200,
&end
#
# 9 LEU HG 13 LEU QD2 4.36 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 202, 203, 204,
&end
#
# 9 LEU HG 27 VAL HA 4.68 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 129, 442, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 9 LEU HG 27 VAL QG1 3.71 (#SUP 0.64 #QF 0.64)
&rst
ixpk= 0, nxpk= 0, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 446, 447, 448,
&end
#
# 9 LEU HN 10 VAL HB 5.19 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 122, 145, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 9 LEU HN 10 VAL HN 3.36 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 122, 141, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 9 LEU HN 10 VAL QG2 4.61 (#SUP 0.21 #QF 0.21)
&rst
ixpk= 0, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 151, 152, 153,
&end
#
# 9 LEU HN 12 GLU HN 5.16 (#SUP 0.59 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat= 122, 174, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 9 LEU HN 36 ARG QD 4.27
&rst
ixpk= 0, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 580, 581,
&end
#
# 9 LEU HN 9 LEU HB2 3.06 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 122, 126, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 9 LEU HN 9 LEU HB3 3.06 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 122, 127, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 9 LEU HN 9 LEU HG 4.64 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 122, 129, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 9 LEU HN 9 LEU QD1 3.99 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 131, 132, 133,
&end
#
# 9 LEU HN 9 LEU QD2 4.32 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 135, 136, 137,
&end
#
# 9 LEU QD1 10 VAL HN 4.87 (#SUP 0.99 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 131, 132, 133,
&end
#
# 9 LEU QD1 11 HIS HN 5.50 (#SUP 0.65 #QF 0.26)
&rst
ixpk= 0, nxpk= 0, iat= -1, 157, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 131, 132, 133,
&end
#
# 9 LEU QD1 12 GLU HB3 4.01 (#SUP 0.80 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 131, 132, 133,
&end
#
# 9 LEU QD1 12 GLU HN 5.06 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, 174, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 131, 132, 133,
&end
#
# 9 LEU QD1 13 LEU HA 5.50 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, 191, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 131, 132, 133,
&end
#
# 9 LEU QD1 13 LEU HG 3.46 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= -1, 196, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 131, 132, 133,
&end
#
# 9 LEU QD1 13 LEU HN 4.13 (#SUP 1.00 #QF 0.24)
&rst
ixpk= 1, nxpk= 0, iat= -1, 189, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 131, 132, 133,
&end
#
# 9 LEU QD1 13 LEU QD2 3.55 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 131, 132, 133,
igr2= 202, 203, 204,
&end
#
# 9 LEU QD1 30 VAL HB 4.68 (#SUP 0.85 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat= -1, 489, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 131, 132, 133,
&end
#
# 9 LEU QD1 30 VAL QG1 3.35 (#SUP 0.47 #QF 0.47)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 131, 132, 133,
igr2= 491, 492, 493,
&end
#
# 9 LEU QD1 36 ARG HD2 5.10 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= -1, 580, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 131, 132, 133,
&end
#
# 9 LEU QD1 36 ARG HD3 5.10 (#SUP 0.42 #QF 0.42)
&rst
ixpk= 0, nxpk= 0, iat= -1, 581, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 131, 132, 133,
&end
#
# 9 LEU QD1 36 ARG QD 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 131, 132, 133,
igr2= 580, 581,
&end
#
# 9 LEU QD2 27 VAL HA 3.34 (#SUP 0.67 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 135, 136, 137,
&end
#
# 9 LEU QD2 27 VAL HB 3.52 (#SUP 0.92 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 135, 136, 137,
&end
#
# 9 LEU QD2 27 VAL HN 4.62 (#SUP 0.93 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= -1, 440, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 135, 136, 137,
&end
#
# 9 LEU QD2 30 VAL HB 3.84 (#SUP 0.92 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat= -1, 489, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 135, 136, 137,
&end
#
# 9 LEU QD2 30 VAL HN 5.13 (#SUP 0.93 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 135, 136, 137,
&end
#
# 9 LEU QD2 30 VAL QG1 3.26 (#SUP 0.69 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 135, 136, 137,
igr2= 491, 492, 493,
&end
#
# 9 LEU QD2 31 GLU HN 4.77 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= -1, 501, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 135, 136, 137,
&end
#
# 9 LEU QD2 31 GLU QG 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 135, 136, 137,
igr2= 508, 509,
&end
#
# 9 LEU QD2 36 ARG HA 4.45 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= -1, 572, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 135, 136, 137,
&end
#
# 9 LEU QD2 36 ARG HD2 3.88 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, 580, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 135, 136, 137,
&end
#
# 9 LEU QD2 36 ARG HD3 3.88 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, 581, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 135, 136, 137,
&end
#
# 9 LEU QD2 36 ARG HG2 4.10 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= -1, 577, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 135, 136, 137,
&end
#
# 9 LEU QD2 36 ARG HN 4.71 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= -1, 570, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 135, 136, 137,
&end
#
# 10 VAL HA 10 VAL QG1 3.15 (#SUP 1.00 #QF 0.99)
&rst
ixpk= 1, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 147, 148, 149,
&end
#
# 10 VAL HA 10 VAL QG2 3.08 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 151, 152, 153,
&end
#
# 10 VAL HA 13 LEU HB2 3.58 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 143, 193, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 10 VAL HA 13 LEU HB3 5.30 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 143, 194, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 10 VAL HA 13 LEU HG 4.32 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 143, 196, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 10 VAL HA 13 LEU HN 4.15 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 143, 189, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 10 VAL HA 13 LEU QD1 3.59 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 198, 199, 200,
&end
#
# 10 VAL HA 13 LEU QD2 5.45 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2= 202, 203, 204,
&end
#
# 10 VAL HA 14 ARG HN 4.39 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 143, 208, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 10 VAL HA 23 MET HA 5.22 (#SUP 0.46 #QF 0.46)
&rst
ixpk= 0, nxpk= 0, iat= 143, 363, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 10 VAL HA 23 MET QE 4.16 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 372, 373, 374,
&end
#
# 10 VAL HA 27 VAL QG1 3.63 (#SUP 1.00 #QF 0.99)
&rst
ixpk= 1, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 446, 447, 448,
&end
#
# 10 VAL HB 11 HIS HD2 4.59 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 145, 170, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 10 VAL HB 11 HIS HN 3.09 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= 145, 157, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 10 VAL HB 11 HIS QB 5.00 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 161, 162,
&end
#
# 10 VAL HB 120 CYX QB 3.66
&rst
ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1888,1889,
&end
#
# 10 VAL HN 10 VAL HB 2.97 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 141, 145, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 10 VAL HN 10 VAL QG1 4.10 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 147, 148, 149,
&end
#
# 10 VAL HN 10 VAL QG2 2.95 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2= 151, 152, 153,
&end
#
# 10 VAL HN 117 ILE QG2 5.30 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2=1849,1850,1851,
&end
#
# 10 VAL HN 11 HIS HN 3.43 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 141, 157, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 10 VAL HN 13 LEU QD1 5.07 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 198, 199, 200,
&end
#
# 10 VAL HN 23 MET QG 5.02 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 368, 369,
&end
#
# 10 VAL HN 27 VAL QG1 3.59 (#SUP 0.21 #QF 0.21)
&rst
ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 446, 447, 448,
&end
#
# 10 VAL QG1 11 HIS HA 4.10 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, 159, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 147, 148, 149,
&end
#
# 10 VAL QG1 11 HIS HD2 3.62 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, 170, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1= 147, 148, 149,
&end
#
# 10 VAL QG1 11 HIS HN 3.66 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, 157, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 147, 148, 149,
&end
#
# 10 VAL QG1 11 HIS QB 5.10 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1= 147, 148, 149,
igr2= 161, 162,
&end
#
# 10 VAL QG1 120 CYX HB2 3.77 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,1888, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 147, 148, 149,
&end
#
# 10 VAL QG1 120 CYX HB3 3.77 (#SUP 0.63 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat= -1,1889, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 147, 148, 149,
&end
#
# 10 VAL QG1 120 CYX HN 5.35 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,1884, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 147, 148, 149,
&end
#
# 10 VAL QG1 120 CYX QB 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 147, 148, 149,
igr2=1888,1889,
&end
#
# 10 VAL QG1 12 GLU HN 5.22 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= -1, 174, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 147, 148, 149,
&end
#
# 10 VAL QG1 13 LEU HN 5.17 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= -1, 189, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 147, 148, 149,
&end
#
# 10 VAL QG1 13 LEU QD1 4.85 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1= 147, 148, 149,
igr2= 198, 199, 200,
&end
#
# 10 VAL QG1 14 ARG HA 5.50 (#SUP 0.80 #QF 0.50)
&rst
ixpk= 0, nxpk= 0, iat= -1, 210, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 147, 148, 149,
&end
#
# 10 VAL QG1 14 ARG HD2 4.11 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 147, 148, 149,
&end
#
# 10 VAL QG1 14 ARG HD3 4.11 (#SUP 0.98 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1, 219, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 147, 148, 149,
&end
#
# 10 VAL QG1 14 ARG HE 4.31 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, 221, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 147, 148, 149,
&end
#
# 10 VAL QG1 14 ARG HG2 4.39 (#SUP 0.97 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= -1, 215, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 147, 148, 149,
&end
#
# 10 VAL QG1 14 ARG HG3 4.39 (#SUP 0.84 #QF 0.46)
&rst
ixpk= 0, nxpk= 0, iat= -1, 216, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 147, 148, 149,
&end
#
# 10 VAL QG1 14 ARG HN 4.36 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat= -1, 208, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 147, 148, 149,
&end
#
# 10 VAL QG1 14 ARG QB 4.03 (#SUP 0.97 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 147, 148, 149,
igr2= 212, 213,
&end
#
# 10 VAL QG1 14 ARG QD 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 147, 148, 149,
igr2= 218, 219,
&end
#
# 10 VAL QG1 14 ARG QG 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 147, 148, 149,
igr2= 215, 216,
&end
#
# 10 VAL QG1 14 ARG QH1 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 147, 148, 149,
igr2= 224, 225,
&end
#
# 10 VAL QG1 14 ARG QH2 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 147, 148, 149,
igr2= 227, 228,
&end
#
# 10 VAL QG1 23 MET QE 3.40 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 147, 148, 149,
igr2= 372, 373, 374,
&end
#
# 10 VAL QG1 23 MET QG 3.61 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 147, 148, 149,
igr2= 368, 369,
&end
#
# 10 VAL QG2 117 ILE HB 3.30 (#SUP 0.96 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1,1847, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 151, 152, 153,
&end
#
# 10 VAL QG2 117 ILE QG2 3.00 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 151, 152, 153,
igr2=1849,1850,1851,
&end
#
# 10 VAL QG2 11 HIS HD2 5.05 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1, 170, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 151, 152, 153,
&end
#
# 10 VAL QG2 11 HIS HN 4.01 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, 157, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 151, 152, 153,
&end
#
# 10 VAL QG2 120 CYX HN 4.92 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= -1,1884, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 151, 152, 153,
&end
#
# 10 VAL QG2 120 CYX QB 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 151, 152, 153,
igr2=1888,1889,
&end
#
# 10 VAL QG2 23 MET QE 4.71 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 151, 152, 153,
igr2= 372, 373, 374,
&end
#
# 10 VAL QG2 23 MET QG 4.22 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 151, 152, 153,
igr2= 368, 369,
&end
#
# 10 VAL QG2 24 ARG HA 5.01 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 151, 152, 153,
&end
#
# 10 VAL QG2 27 VAL QG1 2.99 (#SUP 0.92 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 151, 152, 153,
igr2= 446, 447, 448,
&end
#
# 11 HIS HA 11 HIS HD2 3.32 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 159, 170, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 11 HIS HA 14 ARG HD2 4.53 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat= 159, 218, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 11 HIS HA 14 ARG HD3 4.53 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= 159, 219, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 11 HIS HA 14 ARG HN 4.04 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 159, 208, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 11 HIS HA 14 ARG QB 3.59 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 212, 213,
&end
#
# 11 HIS HA 14 ARG QD 3.82
&rst
ixpk= 0, nxpk= 0, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 218, 219,
&end
#
# 11 HIS HA 15 LYS HN 4.56 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat= 159, 232, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 11 HIS HD2 120 CYX HB2 4.91 (#SUP 0.92 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat= 170,1888, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 11 HIS HD2 120 CYX HB3 4.91 (#SUP 0.65 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat= 170,1889, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 11 HIS HD2 120 CYX QB 4.23
&rst
ixpk= 0, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2=1888,1889,
&end
#
# 11 HIS HD2 14 ARG QB 4.74 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 212, 213,
&end
#
# 11 HIS HD2 14 ARG QD 4.13
&rst
ixpk= 0, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 218, 219,
&end
#
# 11 HIS HD2 23 MET QG 5.50 (#SUP 0.67 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 368, 369,
&end
#
# 11 HIS HN 11 HIS HD2 3.82 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 157, 170, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 11 HIS HN 11 HIS QB 2.79 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 157, -1, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,
igr2= 161, 162,
&end
#
# 11 HIS HN 120 CYX QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 157, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1888,1889,
&end
#
# 11 HIS HN 12 GLU HB2 5.01 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 157, 178, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 11 HIS HN 12 GLU HN 3.31 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 157, 174, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 11 HIS HN 13 LEU HN 4.83 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 157, 189, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 11 HIS HN 13 LEU QD1 5.50 (#SUP 0.65 #QF 0.26)
&rst
ixpk= 0, nxpk= 0, iat= 157, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 198, 199, 200,
&end
#
# 11 HIS HN 14 ARG QB 4.87 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 157, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 212, 213,
&end
#
# 11 HIS HN 14 ARG QD 5.23
&rst
ixpk= 0, nxpk= 0, iat= 157, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 218, 219,
&end
#
# 11 HIS HN 23 MET QG 5.50 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 157, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 368, 369,
&end
#
# 11 HIS QB 11 HIS HD2 3.85 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, 170, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 161, 162,
&end
#
# 11 HIS QB 12 GLU HA 4.46 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1, 176, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 161, 162,
&end
#
# 11 HIS QB 12 GLU HN 2.97 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= -1, 174, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr1= 161, 162,
&end
#
# 11 HIS QB 12 GLU QG 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 161, 162,
igr2= 181, 182,
&end
#
# 11 HIS QB 14 ARG HN 5.49 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1, 208, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 161, 162,
&end
#
# 11 HIS QB 14 ARG QB 4.40 (#SUP 0.62 #QF 0.62)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 161, 162,
igr2= 212, 213,
&end
#
# 12 GLU HA 12 GLU HG2 4.12 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 176, 181, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 12 GLU HA 12 GLU HG3 4.12 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 176, 182, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 12 GLU HA 13 LEU QD2 5.50 (#SUP 1.00 #QF 0.98)
&rst
ixpk= 1, nxpk= 0, iat= 176, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 202, 203, 204,
&end
#
# 12 GLU HA 14 ARG HN 5.37 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat= 176, 208, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 12 GLU HA 16 HIS HD2 5.50 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 176, 267, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 GLU HA 84 ILE HG12 5.50 (#SUP 0.71 #QF 0.56)
&rst
ixpk= 0, nxpk= 0, iat= 176,1304, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 GLU HA 84 ILE QD1 4.55 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat= 176, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=1307,1308,1309,
&end
#
# 12 GLU HB2 13 LEU HN 3.58 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 178, 189, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 12 GLU HB2 84 ILE HG12 5.50 (#SUP 0.95 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat= 178,1304, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 GLU HB2 84 ILE QD1 3.83 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat= 178, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1307,1308,1309,
&end
#
# 12 GLU HB2 84 ILE QG2 5.11 (#SUP 0.95 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat= 178, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2=1300,1301,1302,
&end
#
# 12 GLU HB3 13 LEU HN 3.30 (#SUP 1.00 #QF 0.52)
&rst
ixpk= 1, nxpk= 0, iat= 179, 189, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 12 GLU HB3 13 LEU QD2 3.97 (#SUP 1.00 #QF 0.20)
&rst
ixpk= 1, nxpk= 0, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 202, 203, 204,
&end
#
# 12 GLU HB3 84 ILE QG2 4.90 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1300,1301,1302,
&end
#
# 12 GLU HG2 84 ILE HG12 4.71 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 181,1304, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 12 GLU HG2 84 ILE QD1 3.87 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 181, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1307,1308,1309,
&end
#
# 12 GLU HG3 84 ILE HG12 4.71 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= 182,1304, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 12 GLU HG3 84 ILE QD1 3.87 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1307,1308,1309,
&end
#
# 12 GLU HN 12 GLU HB2 3.21 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 174, 178, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 12 GLU HN 12 GLU HB3 3.49 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 174, 179, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 12 GLU HN 12 GLU HG2 4.79 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 174, 181, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 12 GLU HN 12 GLU HG3 4.79 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 174, 182, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 12 GLU HN 12 GLU QG 4.11
&rst
ixpk= 0, nxpk= 0, iat= 174, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 181, 182,
&end
#
# 12 GLU HN 13 LEU HG 4.82 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 174, 196, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 12 GLU HN 13 LEU HN 3.27 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 174, 189, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 12 GLU HN 14 ARG HN 4.90 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 174, 208, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 12 GLU QG 13 LEU HN 5.12
&rst
ixpk= 1, nxpk= 0, iat= -1, 189, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 181, 182,
&end
#
# 12 GLU QG 16 HIS HD2 4.55
&rst
ixpk= 1, nxpk= 0, iat= -1, 267, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 181, 182,
&end
#
# 12 GLU QG 38 THR QG2 5.34
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 181, 182,
igr2= 612, 613, 614,
&end
#
# 12 GLU QG 84 ILE HG12 3.94
&rst
ixpk= 1, nxpk= 0, iat= -1,1304, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 181, 182,
&end
#
# 12 GLU QG 84 ILE HG13 4.92
&rst
ixpk= 1, nxpk= 0, iat= -1,1305, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 181, 182,
&end
#
# 12 GLU QG 84 ILE QG2 4.34
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 181, 182,
igr2=1300,1301,1302,
&end
#
# 13 LEU HA 13 LEU HG 3.83 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 191, 196, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 13 LEU HA 13 LEU QD1 4.11 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 191, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 198, 199, 200,
&end
#
# 13 LEU HA 13 LEU QD2 2.99 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 191, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 202, 203, 204,
&end
#
# 13 LEU HA 16 HIS HB2 3.94 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 191, 258, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 13 LEU HA 16 HIS HD2 4.64 (#SUP 0.83 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat= 191, 267, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 13 LEU HA 16 HIS HN 3.85 (#SUP 1.00 #QF 0.88)
&rst
ixpk= 1, nxpk= 0, iat= 191, 254, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 13 LEU HA 18 PHE HB2 4.61 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 191, 282, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 13 LEU HA 18 PHE HN 5.35 (#SUP 0.83 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat= 191, 278, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 13 LEU HA 18 PHE QD 3.63 (#SUP 1.00 #QF 0.98)
&rst
ixpk= 1, nxpk= 0, iat= 191, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 286, 294,
&end
#
# 13 LEU HA 18 PHE QE 4.56 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 191, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 288, 292,
&end
#
# 13 LEU HA 23 MET QE 4.82 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 191, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 372, 373, 374,
&end
#
# 13 LEU HA 84 ILE QD1 3.97 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 191, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1307,1308,1309,
&end
#
# 13 LEU HB2 13 LEU QD1 3.28 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 193, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 198, 199, 200,
&end
#
# 13 LEU HB2 13 LEU QD2 3.91 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 193, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 202, 203, 204,
&end
#
# 13 LEU HB2 14 ARG HN 2.84 (#SUP 0.92 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat= 193, 208, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34, &end
#
# 13 LEU HB2 18 PHE HB2 4.23 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 193, 282, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 13 LEU HB2 18 PHE HN 5.02 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat= 193, 278, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 13 LEU HB2 18 PHE QD 4.89 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 193, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 286, 294,
&end
#
# 13 LEU HB3 13 LEU QD1 3.26 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 198, 199, 200,
&end
#
# 13 LEU HB3 13 LEU QD2 3.32 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2= 202, 203, 204,
&end
#
# 13 LEU HB3 14 ARG HN 3.88 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 194, 208, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 13 LEU HB3 18 PHE HA 4.89 (#SUP 0.66 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat= 194, 280, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 13 LEU HB3 18 PHE HB2 3.77 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 194, 282, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 13 LEU HB3 18 PHE HB3 4.01 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 194, 283, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 13 LEU HB3 18 PHE HN 4.49 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 194, 278, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 13 LEU HB3 18 PHE QD 3.91 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2= 286, 294,
&end
#
# 13 LEU HB3 23 MET QE 3.47 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2= 372, 373, 374,
&end
#
# 13 LEU HG 14 ARG HN 4.25 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 196, 208, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 13 LEU HG 27 VAL QG1 5.12 (#SUP 0.96 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2= 446, 447, 448,
&end
#
# 13 LEU HN 13 LEU HB2 3.48 (#SUP 1.00 #QF 0.52)
&rst
ixpk= 1, nxpk= 0, iat= 189, 193, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 13 LEU HN 13 LEU HB3 3.63 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 189, 194, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 13 LEU HN 13 LEU HG 2.98 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 189, 196, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 13 LEU HN 13 LEU QD1 3.88 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 198, 199, 200,
&end
#
# 13 LEU HN 13 LEU QD2 3.69 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 202, 203, 204,
&end
#
# 13 LEU HN 14 ARG HN 3.29 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 189, 208, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 13 LEU HN 15 LYS HN 4.67 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= 189, 232, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 13 LEU HN 18 PHE QD 5.50 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 286, 294,
&end
#
# 13 LEU QD1 14 ARG HN 4.50 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= -1, 208, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 198, 199, 200,
&end
#
# 13 LEU QD1 16 HIS HB2 5.50 (#SUP 0.90 #QF 0.22)
&rst
ixpk= 0, nxpk= 0, iat= -1, 258, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 198, 199, 200,
&end
#
# 13 LEU QD1 18 PHE HB2 4.79 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 198, 199, 200,
&end
#
# 13 LEU QD1 18 PHE QD 4.21 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 198, 199, 200,
igr2= 286, 294,
&end
#
# 13 LEU QD1 23 MET QE 3.87 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 198, 199, 200,
igr2= 372, 373, 374,
&end
#
# 13 LEU QD1 26 TRP HB2 3.93 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 198, 199, 200,
&end
#
# 13 LEU QD1 26 TRP HB3 3.60 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, 421, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 198, 199, 200,
&end
#
# 13 LEU QD1 26 TRP HN 5.04 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, 416, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 198, 199, 200,
&end
#
# 13 LEU QD1 27 VAL HA 3.62 (#SUP 0.63 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1= 198, 199, 200,
&end
#
# 13 LEU QD1 27 VAL HB 5.20 (#SUP 0.85 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 198, 199, 200,
&end
#
# 13 LEU QD1 27 VAL HN 4.52 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, 440, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 198, 199, 200,
&end
#
# 13 LEU QD1 27 VAL QG1 3.31 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 198, 199, 200,
igr2= 446, 447, 448,
&end
#
# 13 LEU QD1 54 PHE HZ 4.87 (#SUP 0.56 #QF 0.56)
&rst
ixpk= 0, nxpk= 0, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 198, 199, 200,
&end
#
# 13 LEU QD1 54 PHE QE 5.18 (#SUP 0.92 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 198, 199, 200,
igr2= 856, 860,
&end
#
# 13 LEU QD2 14 ARG HN 4.85 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= -1, 208, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 202, 203, 204,
&end
#
# 13 LEU QD2 16 HIS HB2 4.93 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1, 258, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 202, 203, 204,
&end
#
# 13 LEU QD2 16 HIS HD2 5.08 (#SUP 0.72 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat= -1, 267, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 202, 203, 204,
&end
#
# 13 LEU QD2 18 PHE HA 5.50 (#SUP 1.00 #QF 0.98)
&rst
ixpk= 1, nxpk= 0, iat= -1, 280, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 202, 203, 204,
&end
#
# 13 LEU QD2 18 PHE HB2 4.66 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 202, 203, 204,
&end
#
# 13 LEU QD2 18 PHE HB3 4.95 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 202, 203, 204,
&end
#
# 13 LEU QD2 18 PHE HN 5.50 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1, 278, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 202, 203, 204,
&end
#
# 13 LEU QD2 18 PHE QD 3.45 (#SUP 0.92 #QF 0.30)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 202, 203, 204,
igr2= 286, 294,
&end
#
# 13 LEU QD2 18 PHE QE 3.86 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 202, 203, 204,
igr2= 288, 292,
&end
#
# 13 LEU QD2 23 MET QE 4.54 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 202, 203, 204,
igr2= 372, 373, 374,
&end
#
# 13 LEU QD2 26 TRP HB3 4.71 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1, 421, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 202, 203, 204,
&end
#
# 13 LEU QD2 30 VAL QG2 4.19 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 202, 203, 204,
igr2= 495, 496, 497,
&end
#
# 13 LEU QD2 53 LEU QD2 4.22 (#SUP 0.74 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 202, 203, 204,
igr2= 840, 841, 842,
&end
#
# 13 LEU QD2 54 PHE HZ 3.44 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 202, 203, 204,
&end
#
# 13 LEU QD2 54 PHE QD 5.50 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 202, 203, 204,
igr2= 854, 862,
&end
#
# 13 LEU QD2 54 PHE QE 3.90 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 202, 203, 204,
igr2= 856, 860,
&end
#
# 13 LEU QD2 84 ILE HG12 5.49 (#SUP 0.95 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat= -1,1304, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 202, 203, 204,
&end
#
# 13 LEU QD2 84 ILE QD1 3.30 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 202, 203, 204,
igr2=1307,1308,1309,
&end
#
# 13 LEU QD2 84 ILE QG2 5.09 (#SUP 0.95 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
igr1= 202, 203, 204,
igr2=1300,1301,1302,
&end
#
# 13 LEU QD2 88 ALA QB 4.22 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 202, 203, 204,
igr2=1363,1364,1365,
&end
#
# 14 ARG HA 14 ARG HE 4.89 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= 210, 221, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 14 ARG HA 14 ARG HG2 3.71 (#SUP 0.99 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 210, 215, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 14 ARG HA 14 ARG HG3 3.71 (#SUP 0.40 #QF 0.40)
&rst
ixpk= 0, nxpk= 0, iat= 210, 216, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 14 ARG HA 14 ARG QD 4.58
&rst
ixpk= 0, nxpk= 0, iat= 210, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 218, 219,
&end
#
# 14 ARG HA 14 ARG QG 3.21
&rst
ixpk= 0, nxpk= 0, iat= 210, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 215, 216,
&end
#
# 14 ARG HA 17 GLY HN 4.21 (#SUP 0.86 #QF 0.50)
&rst
ixpk= 0, nxpk= 0, iat= 210, 271, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 14 ARG HA 18 PHE HB2 4.14 (#SUP 0.99 #QF 0.25)
&rst
ixpk= 0, nxpk= 0, iat= 210, 282, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 14 ARG HE 23 MET QE 4.11 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 372, 373, 374,
&end
#
# 14 ARG HG2 14 ARG HE 4.10 (#SUP 0.74 #QF 0.35)
&rst
ixpk= 0, nxpk= 0, iat= 215, 221, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 14 ARG HG3 14 ARG HE 4.10 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 216, 221, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 14 ARG HN 14 ARG QB 3.10 (#SUP 0.92 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 212, 213,
&end
#
# 14 ARG HN 14 ARG QD 3.96
&rst
ixpk= 0, nxpk= 0, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 218, 219,
&end
#
# 14 ARG HN 14 ARG QG 4.04
&rst
ixpk= 0, nxpk= 0, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 215, 216,
&end
#
# 14 ARG HN 15 LYS HN 3.31 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 208, 232, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 14 ARG HN 16 HIS HN 4.55 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 208, 254, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 14 ARG HN 18 PHE HB2 5.08 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 208, 282, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 14 ARG HN 23 MET QE 3.71 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 372, 373, 374,
&end
#
# 14 ARG QB 14 ARG HD2 3.39 (#SUP 0.98 #QF 0.57)
&rst
ixpk= 0, nxpk= 0, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr1= 212, 213,
&end
#
# 14 ARG QB 14 ARG HD3 3.39 (#SUP 1.00 #QF 0.97)
&rst
ixpk= 1, nxpk= 0, iat= -1, 219, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr1= 212, 213,
&end
#
# 14 ARG QB 14 ARG HE 3.94 (#SUP 0.74 #QF 0.35)
&rst
ixpk= 0, nxpk= 0, iat= -1, 221, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 212, 213,
&end
#
# 14 ARG QB 17 GLY HN 5.03 (#SUP 0.36 #QF 0.36)
&rst
ixpk= 0, nxpk= 0, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 212, 213,
&end
#
# 14 ARG QB 23 MET QG 5.50 (#SUP 0.98 #QF 0.47)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 212, 213,
igr2= 368, 369,
&end
#
# 14 ARG QD 14 ARG QH1 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 218, 219,
igr2= 224, 225,
&end
#
# 14 ARG QD 14 ARG QH2 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 218, 219,
igr2= 227, 228,
&end
#
# 14 ARG QD 15 LYS HN 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 232, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 218, 219,
&end
#
# 14 ARG QD 23 MET QE 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 218, 219,
igr2= 372, 373, 374,
&end
#
# 14 ARG QD 23 MET QG 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 218, 219,
igr2= 368, 369,
&end
#
# 14 ARG QG 14 ARG HE 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 221, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1= 215, 216,
&end
#
# 14 ARG QH1 23 MET QE 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 224, 225,
igr2= 372, 373, 374,
&end
#
# 15 LYS HA 15 LYS HG2 3.79 (#SUP 0.99 #QF 0.54)
&rst
ixpk= 0, nxpk= 0, iat= 234, 239, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 15 LYS HA 15 LYS HG3 3.79 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 234, 240, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 15 LYS HA 15 LYS QG 3.27
&rst
ixpk= 0, nxpk= 0, iat= 234, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2= 239, 240,
&end
#
# 15 LYS HA 17 GLY HN 4.49 (#SUP 0.86 #QF 0.50)
&rst
ixpk= 0, nxpk= 0, iat= 234, 271, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 15 LYS HB2 15 LYS QE 4.49 (#SUP 0.85 #QF 0.58)
&rst
ixpk= 0, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 245, 246,
&end
#
# 15 LYS HB2 16 HIS HN 4.40 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 236, 254, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 15 LYS HB3 15 LYS QE 4.49 (#SUP 0.25 #QF 0.25)
&rst
ixpk= 0, nxpk= 0, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 245, 246,
&end
#
# 15 LYS HB3 16 HIS HN 4.40 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= 237, 254, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 15 LYS HG2 15 LYS QE 3.92 (#SUP 0.91 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 245, 246,
&end
#
# 15 LYS HG2 16 HIS HN 5.24 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 239, 254, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 15 LYS HG3 15 LYS QE 3.92 (#SUP 0.98 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 245, 246,
&end
#
# 15 LYS HG3 16 HIS HN 5.24 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 240, 254, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 15 LYS HN 15 LYS HG2 4.51 (#SUP 0.84 #QF 0.39)
&rst
ixpk= 0, nxpk= 0, iat= 232, 239, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 15 LYS HN 15 LYS HG3 4.51 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 232, 240, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 15 LYS HN 15 LYS QB 2.64
&rst
ixpk= 1, nxpk= 0, iat= 232, -1, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,
igr2= 236, 237,
&end
#
# 15 LYS HN 15 LYS QG 3.78
&rst
ixpk= 1, nxpk= 0, iat= 232, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 239, 240,
&end
#
# 15 LYS HN 16 HIS HN 3.00 (#SUP 0.98 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 232, 254, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 15 LYS QB 16 HIS HN 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 236, 237,
&end
#
# 15 LYS QB 17 GLY HN 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 236, 237,
&end
#
# 15 LYS QG 15 LYS QE 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1= 239, 240,
igr2= 245, 246,
&end
#
# 15 LYS QG 16 HIS HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 239, 240,
&end
#
# 16 HIS HB2 17 GLY HN 4.39 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 258, 271, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 16 HIS HB2 18 PHE HN 4.68 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 258, 278, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 16 HIS HB2 18 PHE QD 3.97 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 286, 294,
&end
#
# 16 HIS HB2 18 PHE QE 3.97 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 288, 292,
&end
#
# 16 HIS HB2 84 ILE HG13 5.50 (#SUP 0.90 #QF 0.22)
&rst
ixpk= 0, nxpk= 0, iat= 258,1305, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 HIS HB2 84 ILE QD1 4.51 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1307,1308,1309,
&end
#
# 16 HIS HB2 88 ALA QB 4.11 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1363,1364,1365,
&end
#
# 16 HIS HB3 18 PHE QD 3.89 (#SUP 1.00 #QF 0.98)
&rst
ixpk= 1, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 286, 294,
&end
#
# 16 HIS HB3 18 PHE QE 3.76 (#SUP 0.97 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 288, 292,
&end
#
# 16 HIS HB3 84 ILE QD1 4.70 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=1307,1308,1309,
&end
#
# 16 HIS HB3 88 ALA QB 3.78 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2=1363,1364,1365,
&end
#
# 16 HIS HD2 18 PHE QE 4.66 (#SUP 0.74 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2= 288, 292,
&end
#
# 16 HIS HD2 84 ILE HG12 4.51 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 267,1304, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 16 HIS HD2 84 ILE HG13 4.91 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 267,1305, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 16 HIS HD2 84 ILE QD1 3.92 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1307,1308,1309,
&end
#
# 16 HIS HD2 85 THR HB 4.23 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 267,1317, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 16 HIS HD2 85 THR HN 4.96 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= 267,1313, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 16 HIS HD2 85 THR QG2 4.78 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=1319,1320,1321,
&end
#
# 16 HIS HD2 88 ALA QB 4.35 (#SUP 0.56 #QF 0.56)
&rst
ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1363,1364,1365,
&end
#
# 16 HIS HE1 84 ILE HG12 5.24 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= 263,1304, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 16 HIS HE1 84 ILE QD1 5.16 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= 263, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2=1307,1308,1309,
&end
#
# 16 HIS HE1 85 THR HB 4.10 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= 263,1317, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 16 HIS HE1 85 THR QG2 4.37 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= 263, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1319,1320,1321,
&end
#
# 16 HIS HN 16 HIS HB2 3.05 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 254, 258, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 16 HIS HN 16 HIS HB3 4.04 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 254, 259, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 16 HIS HN 16 HIS HD2 5.08 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= 254, 267, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 16 HIS HN 17 GLY HN 3.15 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat= 254, 271, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 16 HIS HN 18 PHE QD 4.42 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 286, 294,
&end
#
# 16 HIS HN 84 ILE QD1 5.45 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2=1307,1308,1309,
&end
#
# 17 GLY HN 17 GLY QA 2.67 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2= 273, 274,
&end
#
# 17 GLY HN 18 PHE HB2 4.86 (#SUP 0.69 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat= 271, 282, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 17 GLY HN 18 PHE QD 4.48 (#SUP 0.52 #QF 0.52)
&rst
ixpk= 0, nxpk= 0, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 286, 294,
&end
#
# 17 GLY HN 23 MET QE 5.50 (#SUP 0.93 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 372, 373, 374,
&end
#
# 17 GLY QA 18 PHE HN 3.36 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= -1, 278, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 273, 274,
&end
#
# 18 PHE HA 18 PHE QD 3.74 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 286, 294,
&end
#
# 18 PHE HA 18 PHE QE 5.05 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 288, 292,
&end
#
# 18 PHE HA 19 GLU HN 2.78 (#SUP 0.97 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 280, 298, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28, &end
#
# 18 PHE HA 26 TRP HE1 4.92 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 280, 426, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 18 PHE HA 92 LYS QD 4.85 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1421,1422,
&end
#
# 18 PHE HA 92 LYS QE 4.15
&rst
ixpk= 0, nxpk= 0, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1424,1425,
&end
#
# 18 PHE HB2 19 GLU HN 4.70 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 282, 298, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 18 PHE HB2 23 MET QE 3.31 (#SUP 0.87 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 372, 373, 374,
&end
#
# 18 PHE HB2 26 TRP HD1 5.50 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 282, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 PHE HB3 19 GLU HN 3.36 (#SUP 0.74 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat= 283, 298, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 18 PHE HB3 23 MET QE 2.92 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat= 283, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2= 372, 373, 374,
&end
#
# 18 PHE HB3 26 TRP HD1 4.18 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 283, 424, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 18 PHE HB3 26 TRP HE1 4.50 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 283, 426, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 PHE HB3 92 LYS QE 4.63
&rst
ixpk= 0, nxpk= 0, iat= 283, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1424,1425,
&end
#
# 18 PHE HN 18 PHE HB2 3.01 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 278, 282, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 18 PHE HN 18 PHE HB3 3.81 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 278, 283, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 18 PHE HN 18 PHE QD 2.99 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 286, 294,
&end
#
# 18 PHE HN 18 PHE QE 5.13 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 288, 292,
&end
#
# 18 PHE HN 19 GLU HN 4.80 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 278, 298, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 18 PHE HN 23 MET QE 4.29 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 372, 373, 374,
&end
#
# 18 PHE HZ 54 PHE QE 4.29 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 856, 860,
&end
#
# 18 PHE HZ 88 ALA HA 3.21 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 290,1361, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 18 PHE HZ 88 ALA HN 5.23 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 290,1359, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 18 PHE HZ 88 ALA QB 3.28 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=1363,1364,1365,
&end
#
# 18 PHE HZ 91 ALA HN 5.15 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 290,1401, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 18 PHE HZ 91 ALA QB 3.35 (#SUP 0.99 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1405,1406,1407,
&end
#
# 18 PHE HZ 92 LYS HG2 4.95 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat= 290,1418, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 18 PHE HZ 92 LYS HG3 5.50 (#SUP 0.99 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= 290,1419, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 PHE HZ 92 LYS HN 4.43 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 290,1411, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 18 PHE HZ 92 LYS QB 5.50 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1415,1416,
&end
#
# 18 PHE HZ 92 LYS QD 4.17 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1421,1422,
&end
#
# 18 PHE HZ 92 LYS QE 5.23
&rst
ixpk= 0, nxpk= 0, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=1424,1425,
&end
#
# 18 PHE QD 19 GLU HN 4.48 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1, 298, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 286, 294,
&end
#
# 18 PHE QD 22 LEU QD1 4.99 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 286, 294,
igr2= 351, 352, 353,
&end
#
# 18 PHE QD 23 MET QE 4.32 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 286, 294,
igr2= 372, 373, 374,
&end
#
# 18 PHE QD 26 TRP HD1 4.04 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 286, 294,
&end
#
# 18 PHE QD 26 TRP HE1 3.53 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= -1, 426, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 286, 294,
&end
#
# 18 PHE QD 26 TRP HZ2 4.87 (#SUP 1.00 #QF 0.76)
&rst
ixpk= 1, nxpk= 0, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 286, 294,
&end
#
# 18 PHE QD 88 ALA QB 4.16 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 286, 294,
igr2=1363,1364,1365,
&end
#
# 18 PHE QD 92 LYS HG3 5.50 (#SUP 0.99 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= -1,1419, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 286, 294,
&end
#
# 18 PHE QD 92 LYS QD 4.54 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 286, 294,
igr2=1421,1422,
&end
#
# 18 PHE QD 92 LYS QE 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 286, 294,
igr2=1424,1425,
&end
#
# 18 PHE QE 23 MET QE 5.50 (#SUP 0.91 #QF 0.27)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 288, 292,
igr2= 372, 373, 374,
&end
#
# 18 PHE QE 26 TRP HE3 4.88 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, 435, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 288, 292,
&end
#
# 18 PHE QE 26 TRP HH2 4.63 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1, 431, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 288, 292,
&end
#
# 18 PHE QE 26 TRP HZ2 4.41 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 288, 292,
&end
#
# 18 PHE QE 54 PHE HZ 4.65 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 288, 292,
&end
#
# 18 PHE QE 54 PHE QD 5.36 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 288, 292,
igr2= 854, 862,
&end
#
# 18 PHE QE 54 PHE QE 4.13 (#SUP 1.00 #QF 0.83)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 288, 292,
igr2= 856, 860,
&end
#
# 18 PHE QE 84 ILE QD1 4.64 (#SUP 0.25 #QF 0.25)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 288, 292,
igr2=1307,1308,1309,
&end
#
# 18 PHE QE 88 ALA HA 4.16 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 288, 292,
&end
#
# 18 PHE QE 88 ALA QB 3.17 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 288, 292,
igr2=1363,1364,1365,
&end
#
# 18 PHE QE 91 ALA QB 3.91 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 288, 292,
igr2=1405,1406,1407,
&end
#
# 18 PHE QE 92 LYS HG3 4.82 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1419, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 288, 292,
&end
#
# 18 PHE QE 92 LYS HN 5.10 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1,1411, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 288, 292,
&end
#
# 18 PHE QE 92 LYS QB 5.50 (#SUP 0.91 #QF 0.27)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 288, 292,
igr2=1415,1416,
&end
#
# 18 PHE QE 92 LYS QD 4.01 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 288, 292,
igr2=1421,1422,
&end
#
# 18 PHE QE 92 LYS QE 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 288, 292,
igr2=1424,1425,
&end
#
# 19 GLU HA 19 GLU QG 3.23 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 305, 306,
&end
#
# 19 GLU HA 20 GLU HN 2.68 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= 300, 313, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18, &end
#
# 19 GLU HA 21 ASN HN 4.28 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 300, 328, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 19 GLU HN 19 GLU QB 3.07
&rst
ixpk= 0, nxpk= 0, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr2= 302, 303,
&end
#
# 19 GLU HN 19 GLU QG 3.32 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 305, 306,
&end
#
# 19 GLU HN 22 LEU QD1 4.55 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 351, 352, 353,
&end
#
# 19 GLU HN 23 MET QE 4.78 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 372, 373, 374,
&end
#
# 19 GLU HN 26 TRP HD1 4.95 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat= 298, 424, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 19 GLU HN 26 TRP HE1 4.48 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 298, 426, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 19 GLU QB 20 GLU HN 3.36
&rst
ixpk= 1, nxpk= 0, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 302, 303,
&end
#
# 19 GLU QB 21 ASN HN 3.32
&rst
ixpk= 1, nxpk= 0, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr1= 302, 303,
&end
#
# 19 GLU QB 21 ASN QB 4.68
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 302, 303,
igr2= 332, 333,
&end
#
# 19 GLU QB 22 LEU HG 4.71
&rst
ixpk= 1, nxpk= 0, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 302, 303,
&end
#
# 19 GLU QB 22 LEU HN 3.55
&rst
ixpk= 1, nxpk= 0, iat= -1, 342, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1= 302, 303,
&end
#
# 19 GLU QB 22 LEU QD1 3.13
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 302, 303,
igr2= 351, 352, 353,
&end
#
# 19 GLU QG 21 ASN HN 4.83 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 305, 306,
&end
#
# 19 GLU QG 22 LEU HG 4.61 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 305, 306,
&end
#
# 19 GLU QG 22 LEU HN 4.58 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1, 342, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 305, 306,
&end
#
# 19 GLU QG 22 LEU QD1 4.04 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 305, 306,
igr2= 351, 352, 353,
&end
#
# 20 GLU HA 117 ILE QD1 4.72 (#SUP 0.40 #QF 0.40)
&rst
ixpk= 0, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1856,1857,1858,
&end
#
# 20 GLU HA 20 GLU HG2 4.14 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 315, 320, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 20 GLU HA 20 GLU HG3 4.14 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 315, 321, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 20 GLU HA 21 ASN HA 5.41 (#SUP 0.98 #QF 0.64)
&rst
ixpk= 0, nxpk= 0, iat= 315, 330, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 20 GLU HA 22 LEU HN 4.49 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 315, 342, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 20 GLU HA 23 MET HA 5.50 (#SUP 0.98 #QF 0.64)
&rst
ixpk= 0, nxpk= 0, iat= 315, 363, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 GLU HA 23 MET HN 3.73 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 315, 361, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 20 GLU HA 23 MET QB 3.05
&rst
ixpk= 0, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2= 365, 366,
&end
#
# 20 GLU HA 23 MET QE 3.21 (#SUP 0.35 #QF 0.35)
&rst
ixpk= 0, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 372, 373, 374,
&end
#
# 20 GLU HA 23 MET QG 4.34 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 368, 369,
&end
#
# 20 GLU HN 20 GLU HB2 3.73 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 313, 317, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 20 GLU HN 20 GLU HB3 3.73 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 313, 318, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 20 GLU HN 20 GLU HG2 3.86 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 313, 320, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 20 GLU HN 20 GLU HG3 3.86 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 313, 321, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 20 GLU HN 20 GLU QB 3.10
&rst
ixpk= 1, nxpk= 0, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 317, 318,
&end
#
# 20 GLU HN 20 GLU QG 3.33
&rst
ixpk= 1, nxpk= 0, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2= 320, 321,
&end
#
# 20 GLU HN 22 LEU HN 4.83 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 313, 342, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 20 GLU HN 23 MET QE 4.35 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 372, 373, 374,
&end
#
# 20 GLU QB 21 ASN HN 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 317, 318,
&end
#
# 20 GLU QB 21 ASN QB 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 317, 318,
igr2= 332, 333,
&end
#
# 20 GLU QG 22 LEU HN 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 342, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 320, 321,
&end
#
# 21 ASN HB2 22 LEU HN 4.42 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 332, 342, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 21 ASN HB3 22 LEU HN 4.42 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 333, 342, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 21 ASN HD21 22 LEU QD2 4.69 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 355, 356, 357,
&end
#
# 21 ASN HD22 22 LEU QD2 4.69 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 355, 356, 357,
&end
#
# 21 ASN HN 21 ASN HB2 3.63 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 328, 332, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 21 ASN HN 21 ASN HB3 3.63 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 328, 333, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 21 ASN HN 21 ASN HD21 5.12 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 328, 337, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 21 ASN HN 21 ASN HD22 5.12 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 328, 338, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 21 ASN HN 21 ASN QB 3.07
&rst
ixpk= 0, nxpk= 0, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr2= 332, 333,
&end
#
# 21 ASN HN 21 ASN QD2 4.40
&rst
ixpk= 0, nxpk= 0, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 337, 338,
&end
#
# 21 ASN HN 22 LEU HG 4.84 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 328, 349, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 21 ASN HN 22 LEU HN 3.31 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 328, 342, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 21 ASN HN 22 LEU QD1 5.50 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 351, 352, 353,
&end
#
# 21 ASN HN 23 MET HN 4.41 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 328, 361, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 21 ASN QB 21 ASN QD2 3.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 332, 333,
igr2= 337, 338,
&end
#
# 21 ASN QB 22 LEU HG 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 332, 333,
&end
#
# 21 ASN QB 22 LEU QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 332, 333,
igr2= 346, 347,
&end
#
# 21 ASN QB 22 LEU QD2 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 332, 333,
igr2= 355, 356, 357,
&end
#
# 21 ASN QD2 22 LEU HG 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 337, 338,
&end
#
# 21 ASN QD2 22 LEU HN 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 342, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 337, 338,
&end
#
# 21 ASN QD2 22 LEU QD2 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 337, 338,
igr2= 355, 356, 357,
&end
#
# 22 LEU HG 100 PHE HZ 4.89 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat= 349,1594, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 22 LEU HG 26 TRP HD1 4.86 (#SUP 0.65 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat= 349, 424, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 22 LEU HG 26 TRP HE1 4.80 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 349, 426, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 22 LEU HN 22 LEU HG 3.34 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 342, 349, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 22 LEU HN 22 LEU QB 2.94 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2= 346, 347,
&end
#
# 22 LEU HN 22 LEU QD1 4.03 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 351, 352, 353,
&end
#
# 22 LEU HN 22 LEU QD2 4.01 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 355, 356, 357,
&end
#
# 22 LEU HN 23 MET HN 2.91 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 342, 361, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 22 LEU HN 23 MET QB 4.89
&rst
ixpk= 0, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 365, 366,
&end
#
# 22 LEU HN 23 MET QE 4.89 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 372, 373, 374,
&end
#
# 22 LEU HN 26 TRP HD1 4.93 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 342, 424, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 22 LEU QB 100 PHE HZ 3.69 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= -1,1594, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 346, 347,
&end
#
# 22 LEU QB 100 PHE QE 4.91 (#SUP 0.89 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1= 346, 347,
igr2=1592,1596,
&end
#
# 22 LEU QB 22 LEU QD1 3.44 (#SUP 0.89 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 346, 347,
igr2= 351, 352, 353,
&end
#
# 22 LEU QB 22 LEU QD2 3.17 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 346, 347,
igr2= 355, 356, 357,
&end
#
# 22 LEU QB 23 MET HN 3.68 (#SUP 0.69 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat= -1, 361, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 346, 347,
&end
#
# 22 LEU QB 26 TRP HB2 5.08 (#SUP 0.35 #QF 0.35)
&rst
ixpk= 0, nxpk= 0, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 346, 347,
&end
#
# 22 LEU QB 26 TRP HD1 3.21 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 346, 347,
&end
#
# 22 LEU QB 26 TRP HE1 3.29 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat= -1, 426, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr1= 346, 347,
&end
#
# 22 LEU QB 26 TRP HN 4.27 (#SUP 0.55 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat= -1, 416, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 346, 347,
&end
#
# 22 LEU QD1 100 PHE HZ 4.15 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1594, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 351, 352, 353,
&end
#
# 22 LEU QD1 100 PHE QE 4.51 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 351, 352, 353,
igr2=1592,1596,
&end
#
# 22 LEU QD1 26 TRP HD1 4.23 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 351, 352, 353,
&end
#
# 22 LEU QD1 26 TRP HE1 3.36 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= -1, 426, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 351, 352, 353,
&end
#
# 22 LEU QD1 26 TRP HZ2 4.47 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 351, 352, 353,
&end
#
# 22 LEU QD2 100 PHE HZ 3.91 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1594, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 355, 356, 357,
&end
#
# 22 LEU QD2 100 PHE QD 4.73 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 355, 356, 357,
igr2=1590,1598,
&end
#
# 22 LEU QD2 100 PHE QE 3.49 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 355, 356, 357,
igr2=1592,1596,
&end
#
# 22 LEU QD2 23 MET HN 5.00 (#SUP 0.48 #QF 0.48)
&rst
ixpk= 0, nxpk= 0, iat= -1, 361, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 355, 356, 357,
&end
#
# 23 MET HA 23 MET QE 3.69 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 372, 373, 374,
&end
#
# 23 MET HA 23 MET QG 3.96 (#SUP 1.00 #QF 0.98)
&rst
ixpk= 1, nxpk= 0, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 368, 369,
&end
#
# 23 MET HA 26 TRP HB2 3.92 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 363, 420, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 23 MET HA 26 TRP HB3 4.28 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 363, 421, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 23 MET HA 26 TRP HD1 3.61 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 363, 424, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 23 MET HA 26 TRP HE1 5.50 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 363, 426, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 MET HA 26 TRP HN 3.88 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 363, 416, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 23 MET HA 27 VAL HN 4.69 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 363, 440, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 23 MET HA 27 VAL QG1 4.44 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 446, 447, 448,
&end
#
# 23 MET HB2 23 MET QE 4.03 (#SUP 0.87 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 372, 373, 374,
&end
#
# 23 MET HB2 24 ARG HN 4.06 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 365, 378, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 23 MET HB3 23 MET QE 4.03 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 372, 373, 374,
&end
#
# 23 MET HB3 24 ARG HN 4.06 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 366, 378, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 23 MET HN 117 ILE QD1 4.56 (#SUP 0.43 #QF 0.43)
&rst
ixpk= 0, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1856,1857,1858,
&end
#
# 23 MET HN 23 MET HB2 3.25 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 361, 365, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 23 MET HN 23 MET HB3 3.25 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 361, 366, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 23 MET HN 23 MET QB 2.79
&rst
ixpk= 0, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,
igr2= 365, 366,
&end
#
# 23 MET HN 23 MET QE 3.89 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 372, 373, 374,
&end
#
# 23 MET HN 23 MET QG 4.30 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 368, 369,
&end
#
# 23 MET HN 24 ARG HN 3.71 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 361, 378, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 23 MET HN 26 TRP HB2 5.07 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 361, 420, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 23 MET HN 26 TRP HD1 4.74 (#SUP 0.72 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat= 361, 424, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 23 MET QB 117 ILE QD1 2.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 365, 366,
igr2=1856,1857,1858,
&end
#
# 23 MET QB 23 MET QE 3.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 365, 366,
igr2= 372, 373, 374,
&end
#
# 23 MET QB 24 ARG HN 3.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 378, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1= 365, 366,
&end
#
# 23 MET QB 27 VAL QG1 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 365, 366,
igr2= 446, 447, 448,
&end
#
# 23 MET QE 26 TRP HD1 4.98 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 372, 373, 374,
&end
#
# 23 MET QE 27 VAL QG1 4.33 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 372, 373, 374,
igr2= 446, 447, 448,
&end
#
# 23 MET QG 117 ILE QD1 3.39 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 368, 369,
igr2=1856,1857,1858,
&end
#
# 23 MET QG 23 MET QE 3.25 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 368, 369,
igr2= 372, 373, 374,
&end
#
# 23 MET QG 24 ARG HN 4.43 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, 378, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 368, 369,
&end
#
# 23 MET QG 27 VAL HB 5.50 (#SUP 0.98 #QF 0.47)
&rst
ixpk= 0, nxpk= 0, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 368, 369,
&end
#
# 23 MET QG 27 VAL QG1 4.12 (#SUP 0.97 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 368, 369,
igr2= 446, 447, 448,
&end
#
# 23 MET QG 27 VAL QG2 3.83 (#SUP 0.54 #QF 0.54)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 368, 369,
igr2= 450, 451, 452,
&end
#
# 24 ARG HA 114 LEU HB3 4.74 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 380,1803, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 24 ARG HA 114 LEU QD1 4.85 (#SUP 0.88 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=1807,1808,1809,
&end
#
# 24 ARG HA 117 ILE QD1 3.62 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2=1856,1857,1858,
&end
#
# 24 ARG HA 117 ILE QG2 4.03 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1849,1850,1851,
&end
#
# 24 ARG HA 24 ARG HE 4.82 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 380, 391, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 24 ARG HA 24 ARG QD 4.92
&rst
ixpk= 1, nxpk= 0, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 388, 389,
&end
#
# 24 ARG HA 24 ARG QG 3.41 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 385, 386,
&end
#
# 24 ARG HA 27 VAL HN 4.27 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat= 380, 440, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 24 ARG HA 27 VAL QG1 3.92 (#SUP 0.58 #QF 0.58)
&rst
ixpk= 0, nxpk= 0, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 446, 447, 448,
&end
#
# 24 ARG HA 27 VAL QG2 3.93 (#SUP 0.29 #QF 0.29)
&rst
ixpk= 0, nxpk= 0, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 450, 451, 452,
&end
#
# 24 ARG HA 28 CYX HB2 5.45 (#SUP 0.98 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 380, 460, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 24 ARG HA 28 CYX HN 4.45 (#SUP 0.52 #QF 0.52)
&rst
ixpk= 0, nxpk= 0, iat= 380, 456, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 24 ARG HB2 114 LEU HB2 4.68 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 382,1802, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 24 ARG HB2 114 LEU HB3 4.01 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 382,1803, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 24 ARG HB2 114 LEU QD1 3.50 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 382, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1807,1808,1809,
&end
#
# 24 ARG HB2 24 ARG HD2 3.79 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 382, 388, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 24 ARG HB2 24 ARG HD3 3.79 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat= 382, 389, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 24 ARG HB2 24 ARG HE 3.73 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 382, 391, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 24 ARG HB2 24 ARG QD 3.11
&rst
ixpk= 0, nxpk= 0, iat= 382, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2= 388, 389,
&end
#
# 24 ARG HB3 114 LEU HB2 4.39 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 383,1802, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 24 ARG HB3 114 LEU HB3 4.15 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 383,1803, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 24 ARG HB3 114 LEU QD1 3.69 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=1807,1808,1809,
&end
#
# 24 ARG HB3 117 ILE QG2 4.66 (#SUP 0.91 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1849,1850,1851,
&end
#
# 24 ARG HB3 24 ARG HD2 3.85 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 383, 388, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 24 ARG HB3 24 ARG HD3 3.85 (#SUP 1.00 #QF 0.91)
&rst
ixpk= 1, nxpk= 0, iat= 383, 389, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 24 ARG HB3 24 ARG HE 4.48 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 383, 391, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 24 ARG HE 114 LEU HB2 4.48 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 391,1802, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 24 ARG HE 114 LEU HB3 4.63 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 391,1803, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 24 ARG HE 114 LEU HN 5.44 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 391,1798, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 24 ARG HE 114 LEU QD1 4.69 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=1807,1808,1809,
&end
#
# 24 ARG HE 116 ASP HA 4.21 (#SUP 0.59 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat= 391,1833, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 24 ARG HE 117 ILE HG12 5.00 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= 391,1853, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 24 ARG HE 117 ILE HN 4.46 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 391,1843, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 24 ARG HE 117 ILE QD1 4.87 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1856,1857,1858,
&end
#
# 24 ARG HN 117 ILE HG12 4.47 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 378,1853, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 24 ARG HN 117 ILE QD1 3.83 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1856,1857,1858,
&end
#
# 24 ARG HN 117 ILE QG2 4.78 (#SUP 0.79 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=1849,1850,1851,
&end
#
# 24 ARG HN 24 ARG HB2 3.04 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat= 378, 382, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 24 ARG HN 24 ARG HB3 3.66 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 378, 383, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 24 ARG HN 24 ARG HD2 4.54 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 378, 388, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 24 ARG HN 24 ARG HD3 4.54 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 378, 389, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 24 ARG HN 24 ARG HE 5.11 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 378, 391, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 24 ARG HN 24 ARG QD 3.88
&rst
ixpk= 0, nxpk= 0, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 388, 389,
&end
#
# 24 ARG HN 24 ARG QG 4.18 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2= 385, 386,
&end
#
# 24 ARG HN 25 ASN HN 3.38 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= 378, 402, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 24 ARG HN 26 TRP HD1 5.50 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 378, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 ARG QD 114 LEU HB2 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1802, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 388, 389,
&end
#
# 24 ARG QD 114 LEU QD1 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 388, 389,
igr2=1807,1808,1809,
&end
#
# 24 ARG QD 117 ILE HG12 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1853, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 388, 389,
&end
#
# 24 ARG QD 117 ILE HG13 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1,1854, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 388, 389,
&end
#
# 24 ARG QD 117 ILE QD1 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 388, 389,
igr2=1856,1857,1858,
&end
#
# 24 ARG QD 24 ARG QH1 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 388, 389,
igr2= 394, 395,
&end
#
# 24 ARG QG 117 ILE HG12 4.07 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1853, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 385, 386,
&end
#
# 24 ARG QG 117 ILE HG13 4.71 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,1854, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 385, 386,
&end
#
# 24 ARG QG 117 ILE QD1 3.59 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 385, 386,
igr2=1856,1857,1858,
&end
#
# 24 ARG QG 117 ILE QG2 4.34 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 385, 386,
igr2=1849,1850,1851,
&end
#
# 24 ARG QG 24 ARG HE 3.71 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, 391, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 385, 386,
&end
#
# 24 ARG QH1 114 LEU HN 5.34
&rst
ixpk= 1, nxpk= 0, iat= -1,1798, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 394, 395,
&end
#
# 25 ASN HA 106 TRP HD1 4.83 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 404,1684, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 25 ASN HA 106 TRP HE1 4.23 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 404,1686, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 25 ASN HA 114 LEU QD1 3.38 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=1807,1808,1809,
&end
#
# 25 ASN HA 114 LEU QD2 3.39 (#SUP 0.66 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1811,1812,1813,
&end
#
# 25 ASN HA 25 ASN QD2 4.31
&rst
ixpk= 0, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 411, 412,
&end
#
# 25 ASN HA 28 CYX HB2 4.07 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 404, 460, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 25 ASN HA 28 CYX HB3 3.52 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 404, 461, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 25 ASN HA 28 CYX HN 3.92 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 404, 456, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 25 ASN HA 29 LEU HN 4.44 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 404, 466, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 25 ASN HB2 100 PHE HZ 4.51 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 406,1594, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 25 ASN HB2 100 PHE QE 4.46 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1592,1596,
&end
#
# 25 ASN HB2 106 TRP HE1 4.57 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 406,1686, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 25 ASN HB2 25 ASN QD2 3.52
&rst
ixpk= 1, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 411, 412,
&end
#
# 25 ASN HB2 26 TRP HD1 4.95 (#SUP 0.66 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat= 406, 424, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 25 ASN HB2 26 TRP HN 3.53 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 406, 416, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 25 ASN HB3 100 PHE HZ 4.70 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 407,1594, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 25 ASN HB3 100 PHE QE 4.32 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= 407, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1592,1596,
&end
#
# 25 ASN HB3 106 TRP HE1 3.87 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 407,1686, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 25 ASN HB3 106 TRP HZ2 5.30 (#SUP 0.81 #QF 0.51)
&rst
ixpk= 0, nxpk= 0, iat= 407,1689, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 25 ASN HB3 26 TRP HN 3.97 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 407, 416, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 25 ASN HD21 114 LEU QD2 5.06 (#SUP 0.56 #QF 0.24)
&rst
ixpk= 0, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2=1811,1812,1813,
&end
#
# 25 ASN HD22 114 LEU QD2 5.06 (#SUP 0.56 #QF 0.24)
&rst
ixpk= 0, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2=1811,1812,1813,
&end
#
# 25 ASN HN 114 LEU QD1 3.79 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1807,1808,1809,
&end
#
# 25 ASN HN 25 ASN HB2 3.07 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 402, 406, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 25 ASN HN 26 TRP HN 3.30 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 402, 416, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 25 ASN QD2 114 LEU QD1 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 411, 412,
igr2=1807,1808,1809,
&end
#
# 25 ASN QD2 114 LEU QD2 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 411, 412,
igr2=1811,1812,1813,
&end
#
# 25 ASN QD2 26 TRP HN 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 416, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 411, 412,
&end
#
# 26 TRP HA 100 PHE QE 4.94 (#SUP 0.98 #QF 0.52)
&rst
ixpk= 0, nxpk= 0, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1592,1596,
&end
#
# 26 TRP HA 26 TRP HE3 3.22 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 418, 435, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 26 TRP HA 26 TRP HZ3 5.14 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 418, 433, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 26 TRP HA 27 VAL HA 5.04 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= 418, 442, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 26 TRP HA 27 VAL QG2 5.50 (#SUP 0.85 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 450, 451, 452,
&end
#
# 26 TRP HA 29 LEU HB2 4.09 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat= 418, 470, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 26 TRP HA 29 LEU HB3 4.09 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 418, 471, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 26 TRP HA 29 LEU HN 4.95 (#SUP 0.88 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= 418, 466, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 26 TRP HA 29 LEU QB 3.34
&rst
ixpk= 0, nxpk= 0, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 470, 471,
&end
#
# 26 TRP HA 29 LEU QD1 4.51 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 475, 476, 477,
&end
#
# 26 TRP HA 29 LEU QD2 4.08 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 479, 480, 481,
&end
#
# 26 TRP HA 30 VAL HN 4.52 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 418, 485, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 26 TRP HA 30 VAL QG2 4.72 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 495, 496, 497,
&end
#
# 26 TRP HB2 26 TRP HD1 3.72 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 420, 424, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 26 TRP HB2 26 TRP HE1 5.03 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= 420, 426, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 26 TRP HB2 27 VAL HN 3.44 (#SUP 0.96 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= 420, 440, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 26 TRP HB2 27 VAL QG1 4.64 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 446, 447, 448,
&end
#
# 26 TRP HB2 27 VAL QG2 4.74 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 450, 451, 452,
&end
#
# 26 TRP HB3 26 TRP HE3 3.72 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 421, 435, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 26 TRP HB3 27 VAL HA 4.84 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 421, 442, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 26 TRP HB3 27 VAL HN 4.01 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 421, 440, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 26 TRP HB3 27 VAL QG1 4.47 (#SUP 0.99 #QF 0.24)
&rst
ixpk= 0, nxpk= 0, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 446, 447, 448,
&end
#
# 26 TRP HB3 30 VAL QG2 4.67 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 495, 496, 497,
&end
#
# 26 TRP HB3 54 PHE QE 5.09 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr2= 856, 860,
&end
#
# 26 TRP HD1 100 PHE HZ 5.19 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= 424,1594, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 26 TRP HE1 100 PHE HZ 5.32 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= 426,1594, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 26 TRP HE1 100 PHE QE 5.06 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1592,1596,
&end
#
# 26 TRP HE3 100 PHE QE 4.94 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1592,1596,
&end
#
# 26 TRP HE3 29 LEU QB 4.08
&rst
ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 470, 471,
&end
#
# 26 TRP HE3 29 LEU QD1 4.03 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 475, 476, 477,
&end
#
# 26 TRP HE3 29 LEU QD2 3.54 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 479, 480, 481,
&end
#
# 26 TRP HE3 30 VAL HN 4.95 (#SUP 0.63 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat= 435, 485, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 26 TRP HE3 30 VAL QG2 3.83 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 495, 496, 497,
&end
#
# 26 TRP HE3 54 PHE QD 4.29 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 854, 862,
&end
#
# 26 TRP HE3 54 PHE QE 3.67 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 856, 860,
&end
#
# 26 TRP HE3 91 ALA QB 5.25 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=1405,1406,1407,
&end
#
# 26 TRP HH2 103 TRP HH2 3.77 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 431,1639, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 26 TRP HH2 103 TRP HZ2 4.80 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 431,1637, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 26 TRP HH2 103 TRP HZ3 4.75 (#SUP 0.69 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat= 431,1641, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 26 TRP HH2 91 ALA QB 3.85 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 431, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1405,1406,1407,
&end
#
# 26 TRP HH2 92 LYS HA 4.45 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 431,1413, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 26 TRP HH2 95 TYR HN 4.75 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= 431,1474, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 26 TRP HH2 95 TYR QB 3.71 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 431, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=1478,1479,
&end
#
# 26 TRP HN 100 PHE HZ 4.73 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 416,1594, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 26 TRP HN 100 PHE QE 4.85 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1592,1596,
&end
#
# 26 TRP HN 26 TRP HB2 3.19 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 416, 420, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 26 TRP HN 26 TRP HB3 3.55 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 416, 421, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 26 TRP HN 26 TRP HD1 3.96 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 416, 424, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 26 TRP HN 26 TRP HE3 5.29 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 416, 435, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 26 TRP HN 27 VAL HN 3.73 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 416, 440, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 26 TRP HN 27 VAL QG1 4.53 (#SUP 0.65 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 446, 447, 448,
&end
#
# 26 TRP HZ2 100 PHE QE 5.48 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2=1592,1596,
&end
#
# 26 TRP HZ2 103 TRP HH2 5.49 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 429,1639, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 26 TRP HZ2 103 TRP HZ3 5.31 (#SUP 0.59 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat= 429,1641, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 26 TRP HZ2 92 LYS HA 4.36 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 429,1413, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 26 TRP HZ2 92 LYS QB 5.50 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1415,1416,
&end
#
# 26 TRP HZ2 92 LYS QD 4.84 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1421,1422,
&end
#
# 26 TRP HZ2 92 LYS QE 4.52
&rst
ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1424,1425,
&end
#
# 26 TRP HZ2 95 TYR HN 5.50 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 429,1474, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 TRP HZ2 95 TYR QB 3.47 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=1478,1479,
&end
#
# 26 TRP HZ2 95 TYR QD 5.26 (#SUP 0.97 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=1482,1491,
&end
#
# 26 TRP HZ3 103 TRP HH2 4.47 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 433,1639, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 26 TRP HZ3 103 TRP HZ2 4.67 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 433,1637, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 26 TRP HZ3 103 TRP HZ3 4.22 (#SUP 0.74 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat= 433,1641, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 26 TRP HZ3 29 LEU QD2 3.90 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 433, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 479, 480, 481,
&end
#
# 26 TRP HZ3 30 VAL QG2 4.35 (#SUP 0.97 #QF 0.53)
&rst
ixpk= 0, nxpk= 0, iat= 433, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 495, 496, 497,
&end
#
# 26 TRP HZ3 54 PHE QD 3.73 (#SUP 0.56 #QF 0.56)
&rst
ixpk= 0, nxpk= 0, iat= 433, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 854, 862,
&end
#
# 26 TRP HZ3 54 PHE QE 4.04 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 433, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 856, 860,
&end
#
# 26 TRP HZ3 91 ALA QB 3.85 (#SUP 0.99 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 433, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1405,1406,1407,
&end
#
# 27 VAL HA 27 VAL QG1 3.00 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 446, 447, 448,
&end
#
# 27 VAL HA 27 VAL QG2 3.25 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2= 450, 451, 452,
&end
#
# 27 VAL HA 31 GLU HN 4.07 (#SUP 1.00 #QF 0.78)
&rst
ixpk= 1, nxpk= 0, iat= 442, 501, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 27 VAL HA 31 GLU QG 4.50
&rst
ixpk= 1, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 508, 509,
&end
#
# 27 VAL HA 36 ARG HG2 4.99 (#SUP 0.21 #QF 0.21)
&rst
ixpk= 0, nxpk= 0, iat= 442, 577, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 27 VAL HB 28 CYX HN 4.05 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 444, 456, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 27 VAL HN 117 ILE QG2 5.46 (#SUP 0.79 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2=1849,1850,1851,
&end
#
# 27 VAL HN 27 VAL HB 3.80 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 440, 444, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 27 VAL HN 27 VAL QG1 3.09 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr2= 446, 447, 448,
&end
#
# 27 VAL HN 27 VAL QG2 3.75 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 450, 451, 452,
&end
#
# 27 VAL HN 28 CYX HN 3.32 (#SUP 0.98 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 440, 456, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 27 VAL QG1 28 CYX HB2 5.50 (#SUP 0.53 #QF 0.29)
&rst
ixpk= 0, nxpk= 0, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 446, 447, 448,
&end
#
# 27 VAL QG1 28 CYX HN 4.09 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 446, 447, 448,
&end
#
# 27 VAL QG1 31 GLU QG 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 446, 447, 448,
igr2= 508, 509,
&end
#
# 27 VAL QG2 115 PRO HA 5.50 (#SUP 0.85 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= -1,1827, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 450, 451, 452,
&end
#
# 27 VAL QG2 115 PRO HD2 4.15 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= -1,1818, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 450, 451, 452,
&end
#
# 27 VAL QG2 115 PRO HG2 3.53 (#SUP 0.99 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1,1821, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 450, 451, 452,
&end
#
# 27 VAL QG2 115 PRO HG3 3.53 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= -1,1822, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 450, 451, 452,
&end
#
# 27 VAL QG2 115 PRO QG 3.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 450, 451, 452,
igr2=1821,1822,
&end
#
# 27 VAL QG2 28 CYX HB2 4.29 (#SUP 0.89 #QF 0.42)
&rst
ixpk= 0, nxpk= 0, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 450, 451, 452,
&end
#
# 27 VAL QG2 28 CYX HN 3.68 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 450, 451, 452,
&end
#
# 27 VAL QG2 29 LEU HN 5.22 (#SUP 0.90 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 450, 451, 452,
&end
#
# 27 VAL QG2 31 GLU HN 4.78 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat= -1, 501, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 450, 451, 452,
&end
#
# 27 VAL QG2 31 GLU QG 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 450, 451, 452,
igr2= 508, 509,
&end
#
# 28 CYX HA 115 PRO HD2 4.79 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 458,1818, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 28 CYX HA 115 PRO HD3 4.46 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 458,1819, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 28 CYX HA 115 PRO QG 4.25
&rst
ixpk= 0, nxpk= 0, iat= 458, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1821,1822,
&end
#
# 28 CYX HA 30 VAL HN 5.10 (#SUP 0.74 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat= 458, 485, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 28 CYX HA 31 GLU HB2 3.75 (#SUP 0.54 #QF 0.54)
&rst
ixpk= 0, nxpk= 0, iat= 458, 505, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 28 CYX HA 31 GLU HB3 4.62 (#SUP 0.98 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 458, 506, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 28 CYX HA 31 GLU HN 4.11 (#SUP 0.74 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat= 458, 501, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 28 CYX HB2 114 LEU HA 4.47 (#SUP 0.54 #QF 0.54)
&rst
ixpk= 0, nxpk= 0, iat= 460,1800, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 28 CYX HB2 114 LEU HB3 4.93 (#SUP 0.98 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat= 460,1803, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 28 CYX HB2 114 LEU QD2 3.74 (#SUP 0.67 #QF 0.34)
&rst
ixpk= 0, nxpk= 0, iat= 460, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1811,1812,1813,
&end
#
# 28 CYX HB2 115 PRO HD2 3.45 (#SUP 0.97 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat= 460,1818, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 28 CYX HB2 115 PRO HD3 3.44 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 460,1819, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 28 CYX HB2 115 PRO QG 3.92
&rst
ixpk= 0, nxpk= 0, iat= 460, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1821,1822,
&end
#
# 28 CYX HB2 29 LEU HN 4.96 (#SUP 1.00 #QF 0.96)
&rst
ixpk= 1, nxpk= 0, iat= 460, 466, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 28 CYX HB3 114 LEU HA 4.88 (#SUP 0.44 #QF 0.44)
&rst
ixpk= 0, nxpk= 0, iat= 461,1800, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 28 CYX HB3 114 LEU HB3 5.38 (#SUP 0.98 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat= 461,1803, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 28 CYX HB3 114 LEU QD1 4.68 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=1807,1808,1809,
&end
#
# 28 CYX HB3 114 LEU QD2 3.41 (#SUP 0.67 #QF 0.34)
&rst
ixpk= 0, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1811,1812,1813,
&end
#
# 28 CYX HB3 29 LEU HN 3.72 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat= 461, 466, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 28 CYX HN 114 LEU QD2 4.47 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1811,1812,1813,
&end
#
# 28 CYX HN 115 PRO HD2 4.54 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 456,1818, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 28 CYX HN 115 PRO HD3 5.33 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 456,1819, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 28 CYX HN 115 PRO QG 4.36
&rst
ixpk= 0, nxpk= 0, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1821,1822,
&end
#
# 28 CYX HN 28 CYX HB2 3.44 (#SUP 0.97 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat= 456, 460, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 28 CYX HN 28 CYX HB3 2.99 (#SUP 0.97 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat= 456, 461, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 28 CYX HN 29 LEU HN 3.51 (#SUP 0.98 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 456, 466, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 28 CYX HN 29 LEU QB 5.13
&rst
ixpk= 0, nxpk= 0, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 470, 471,
&end
#
# 29 LEU HA 106 TRP HB2 4.42 (#SUP 0.88 #QF 0.45)
&rst
ixpk= 0, nxpk= 0, iat= 468,1680, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 29 LEU HA 106 TRP HD1 4.42 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat= 468,1684, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 29 LEU HA 106 TRP HN 4.99 (#SUP 0.44 #QF 0.44)
&rst
ixpk= 0, nxpk= 0, iat= 468,1676, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 29 LEU HA 29 LEU HG 3.61 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 468, 473, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 29 LEU HA 29 LEU QD1 4.10 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 468, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 475, 476, 477,
&end
#
# 29 LEU HA 29 LEU QD2 4.31 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 468, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 479, 480, 481,
&end
#
# 29 LEU HA 30 VAL HA 5.14 (#SUP 0.67 #QF 0.54)
&rst
ixpk= 0, nxpk= 0, iat= 468, 487, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 29 LEU HA 32 HIS HN 4.51 (#SUP 0.59 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat= 468, 516, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 29 LEU HA 32 HIS QB 4.11
&rst
ixpk= 0, nxpk= 0, iat= 468, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 520, 521,
&end
#
# 29 LEU HA 33 GLU HN 4.92 (#SUP 0.58 #QF 0.58)
&rst
ixpk= 0, nxpk= 0, iat= 468, 533, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 29 LEU HA 33 GLU QG 4.43
&rst
ixpk= 0, nxpk= 0, iat= 468, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 540, 541,
&end
#
# 29 LEU HB2 106 TRP HD1 4.39 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 470,1684, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 29 LEU HB2 29 LEU QD1 3.72 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 475, 476, 477,
&end
#
# 29 LEU HB2 29 LEU QD2 4.01 (#SUP 1.00 #QF 0.99)
&rst
ixpk= 1, nxpk= 0, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 479, 480, 481,
&end
#
# 29 LEU HB2 30 VAL HN 4.22 (#SUP 0.97 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= 470, 485, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 29 LEU HB3 106 TRP HD1 4.39 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 471,1684, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 29 LEU HB3 29 LEU QD1 3.72 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 475, 476, 477,
&end
#
# 29 LEU HB3 29 LEU QD2 4.01 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 479, 480, 481,
&end
#
# 29 LEU HB3 30 VAL HN 4.22 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 471, 485, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 29 LEU HG 103 TRP HB2 4.68 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 473,1628, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 29 LEU HG 103 TRP HB3 4.39 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 473,1629, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 29 LEU HG 103 TRP HD1 5.10 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 473,1632, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 29 LEU HG 106 TRP HB2 3.80 (#SUP 0.97 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat= 473,1680, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 29 LEU HG 106 TRP HB3 5.02 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= 473,1681, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 29 LEU HG 106 TRP HN 4.24 (#SUP 0.61 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat= 473,1676, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 29 LEU HG 33 GLU HG2 4.86 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= 473, 540, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 29 LEU HG 33 GLU HG3 4.86 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= 473, 541, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 29 LEU HG 33 GLU QG 4.19
&rst
ixpk= 0, nxpk= 0, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 540, 541,
&end
#
# 29 LEU HN 106 TRP HD1 4.68 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 466,1684, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 29 LEU HN 29 LEU HB2 3.62 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 466, 470, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 29 LEU HN 29 LEU HB3 3.62 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 466, 471, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 29 LEU HN 29 LEU HG 4.87 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 466, 473, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 29 LEU HN 29 LEU QD1 4.73 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 475, 476, 477,
&end
#
# 29 LEU HN 29 LEU QD2 4.77 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2= 479, 480, 481,
&end
#
# 29 LEU HN 30 VAL QG2 5.50 (#SUP 0.90 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 495, 496, 497,
&end
#
# 29 LEU QB 106 TRP HB2 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1680, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 470, 471,
&end
#
# 29 LEU QB 106 TRP HD1 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1684, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 470, 471,
&end
#
# 29 LEU QB 29 LEU QD2 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 470, 471,
igr2= 479, 480, 481,
&end
#
# 29 LEU QB 30 VAL HN 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 470, 471,
&end
#
# 29 LEU QD1 100 PHE HA 4.65 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1,1584, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 475, 476, 477,
&end
#
# 29 LEU QD1 100 PHE QD 3.43 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 475, 476, 477,
igr2=1590,1598,
&end
#
# 29 LEU QD1 100 PHE QE 3.98 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 475, 476, 477,
igr2=1592,1596,
&end
#
# 29 LEU QD1 103 TRP HB2 4.07 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,1628, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 475, 476, 477,
&end
#
# 29 LEU QD1 103 TRP HB3 4.08 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1629, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 475, 476, 477,
&end
#
# 29 LEU QD1 103 TRP HD1 5.16 (#SUP 0.99 #QF 0.64)
&rst
ixpk= 0, nxpk= 0, iat= -1,1632, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 475, 476, 477,
&end
#
# 29 LEU QD1 103 TRP HE3 4.09 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1643, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 475, 476, 477,
&end
#
# 29 LEU QD1 103 TRP HN 4.65 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,1624, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 475, 476, 477,
&end
#
# 29 LEU QD1 103 TRP HZ3 4.99 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1641, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 475, 476, 477,
&end
#
# 29 LEU QD1 106 TRP HA 4.83 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat= -1,1678, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 475, 476, 477,
&end
#
# 29 LEU QD1 106 TRP HB2 3.85 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1,1680, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 475, 476, 477,
&end
#
# 29 LEU QD1 106 TRP HB3 4.32 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,1681, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 475, 476, 477,
&end
#
# 29 LEU QD1 106 TRP HD1 4.52 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1684, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 475, 476, 477,
&end
#
# 29 LEU QD1 30 VAL HN 5.24 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 475, 476, 477,
&end
#
# 29 LEU QD2 103 TRP HB2 4.55 (#SUP 1.00 #QF 0.88)
&rst
ixpk= 1, nxpk= 0, iat= -1,1628, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 479, 480, 481,
&end
#
# 29 LEU QD2 103 TRP HB3 4.26 (#SUP 0.99 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,1629, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 479, 480, 481,
&end
#
# 29 LEU QD2 103 TRP HD1 4.03 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= -1,1632, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 479, 480, 481,
&end
#
# 29 LEU QD2 103 TRP HE1 4.62 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1,1634, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 479, 480, 481,
&end
#
# 29 LEU QD2 103 TRP HZ2 4.97 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= -1,1637, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 479, 480, 481,
&end
#
# 29 LEU QD2 106 TRP HA 5.48 (#SUP 0.65 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat= -1,1678, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 479, 480, 481,
&end
#
# 29 LEU QD2 30 VAL HA 3.39 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 479, 480, 481,
&end
#
# 29 LEU QD2 30 VAL HN 3.73 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 479, 480, 481,
&end
#
# 29 LEU QD2 30 VAL QG2 3.34 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 479, 480, 481,
igr2= 495, 496, 497,
&end
#
# 29 LEU QD2 33 GLU HG2 3.98 (#SUP 1.00 #QF 0.99)
&rst
ixpk= 1, nxpk= 0, iat= -1, 540, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 479, 480, 481,
&end
#
# 29 LEU QD2 33 GLU HG3 3.98 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 479, 480, 481,
&end
#
# 29 LEU QD2 33 GLU HN 5.06 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 479, 480, 481,
&end
#
# 29 LEU QD2 33 GLU QG 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 479, 480, 481,
igr2= 540, 541,
&end
#
# 29 LEU QD2 54 PHE HA 4.41 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 479, 480, 481,
&end
#
# 29 LEU QD2 54 PHE HB2 5.50 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1, 850, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 479, 480, 481,
&end
#
# 29 LEU QD2 54 PHE HB3 4.73 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1, 851, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 479, 480, 481,
&end
#
# 29 LEU QD2 54 PHE QD 3.42 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 479, 480, 481,
igr2= 854, 862,
&end
#
# 30 VAL HA 30 VAL QG2 2.71 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,
igr2= 495, 496, 497,
&end
#
# 30 VAL HA 33 GLU HG2 4.98 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 487, 540, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 30 VAL HA 33 GLU HG3 4.98 (#SUP 0.97 #QF 0.45)
&rst
ixpk= 0, nxpk= 0, iat= 487, 541, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 30 VAL HA 33 GLU HN 4.16 (#SUP 0.55 #QF 0.35)
&rst
ixpk= 0, nxpk= 0, iat= 487, 533, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 30 VAL HA 33 GLU QG 4.33
&rst
ixpk= 0, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 540, 541,
&end
#
# 30 VAL HA 34 SER HN 4.03 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= 487, 548, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 30 VAL HA 34 SER QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 552, 553,
&end
#
# 30 VAL HA 53 LEU HG 4.94 (#SUP 0.51 #QF 0.51)
&rst
ixpk= 0, nxpk= 0, iat= 487, 834, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 30 VAL HA 54 PHE HA 4.69 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat= 487, 848, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 30 VAL HB 31 GLU HN 3.87 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 489, 501, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 30 VAL HN 30 VAL HB 2.97 (#SUP 0.65 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat= 485, 489, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 30 VAL HN 30 VAL QG2 3.03 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 495, 496, 497,
&end
#
# 30 VAL HN 31 GLU HN 3.38 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 485, 501, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 30 VAL HN 31 GLU QG 4.98
&rst
ixpk= 0, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2= 508, 509,
&end
#
# 30 VAL HN 32 HIS HN 4.54 (#SUP 0.95 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= 485, 516, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 30 VAL QG1 31 GLU HA 4.07 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, 503, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 491, 492, 493,
&end
#
# 30 VAL QG1 31 GLU HN 4.43 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= -1, 501, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 491, 492, 493,
&end
#
# 30 VAL QG1 31 GLU QG 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 491, 492, 493,
igr2= 508, 509,
&end
#
# 30 VAL QG1 33 GLU QG 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 491, 492, 493,
igr2= 540, 541,
&end
#
# 30 VAL QG1 34 SER HB2 4.91 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, 552, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 491, 492, 493,
&end
#
# 30 VAL QG1 34 SER HB3 4.91 (#SUP 0.66 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 491, 492, 493,
&end
#
# 30 VAL QG1 34 SER HN 4.02 (#SUP 1.00 #QF 0.91)
&rst
ixpk= 1, nxpk= 0, iat= -1, 548, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 491, 492, 493,
&end
#
# 30 VAL QG1 34 SER QB 4.20
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 491, 492, 493,
igr2= 552, 553,
&end
#
# 30 VAL QG1 35 SER HN 4.60 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 491, 492, 493,
&end
#
# 30 VAL QG1 36 ARG HA 3.12 (#SUP 0.42 #QF 0.42)
&rst
ixpk= 0, nxpk= 0, iat= -1, 572, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1= 491, 492, 493,
&end
#
# 30 VAL QG1 36 ARG HB2 5.08 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1, 574, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 491, 492, 493,
&end
#
# 30 VAL QG1 36 ARG HB3 4.62 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, 575, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 491, 492, 493,
&end
#
# 30 VAL QG1 36 ARG HG2 3.85 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, 577, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 491, 492, 493,
&end
#
# 30 VAL QG1 36 ARG HG3 4.24 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 491, 492, 493,
&end
#
# 30 VAL QG1 36 ARG HN 3.28 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= -1, 570, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1= 491, 492, 493,
&end
#
# 30 VAL QG1 53 LEU HA 4.29 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= -1, 829, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 491, 492, 493,
&end
#
# 30 VAL QG1 53 LEU HG 3.25 (#SUP 0.54 #QF 0.54)
&rst
ixpk= 0, nxpk= 0, iat= -1, 834, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr1= 491, 492, 493,
&end
#
# 30 VAL QG1 53 LEU QD2 3.13 (#SUP 0.59 #QF 0.31)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 491, 492, 493,
igr2= 840, 841, 842,
&end
#
# 30 VAL QG2 31 GLU HN 4.09 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, 501, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 495, 496, 497,
&end
#
# 30 VAL QG2 53 LEU QD2 3.05 (#SUP 0.44 #QF 0.44)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 495, 496, 497,
igr2= 840, 841, 842,
&end
#
# 30 VAL QG2 54 PHE HA 4.60 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 495, 496, 497,
&end
#
# 30 VAL QG2 54 PHE HB3 4.75 (#SUP 0.99 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat= -1, 851, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 495, 496, 497,
&end
#
# 30 VAL QG2 54 PHE HN 4.84 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 495, 496, 497,
&end
#
# 30 VAL QG2 54 PHE QD 3.54 (#SUP 1.00 #QF 0.96)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 495, 496, 497,
igr2= 854, 862,
&end
#
# 30 VAL QG2 54 PHE QE 3.54 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 495, 496, 497,
igr2= 856, 860,
&end
#
# 31 GLU HA 31 GLU HG2 3.57 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 503, 508, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 31 GLU HA 31 GLU HG3 3.57 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 503, 509, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 31 GLU HA 31 GLU QG 2.92
&rst
ixpk= 0, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr2= 508, 509,
&end
#
# 31 GLU HA 32 HIS QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 520, 521,
&end
#
# 31 GLU HA 33 GLU HN 4.86 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 503, 533, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 31 GLU HA 34 SER HN 4.58 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 503, 548, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 31 GLU HA 35 SER HA 3.41 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 503, 561, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 31 GLU HA 35 SER HN 3.61 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 503, 559, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 31 GLU HA 35 SER QB 4.41 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 563, 564,
&end
#
# 31 GLU HA 36 ARG HA 4.91 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 503, 572, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 31 GLU HA 36 ARG HG2 3.83 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 503, 577, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 31 GLU HA 36 ARG HG3 4.02 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 503, 578, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 31 GLU HA 36 ARG HN 3.74 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 503, 570, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 31 GLU HA 37 ASP HN 5.50 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 503, 594, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 GLU HB3 31 GLU QG 2.59
&rst
ixpk= 1, nxpk= 0, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41,
igr2= 508, 509,
&end
#
# 31 GLU HB3 32 HIS HA 5.17 (#SUP 0.98 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 506, 518, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 31 GLU HB3 32 HIS HN 4.04 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 506, 516, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 31 GLU HB3 35 SER HA 4.83 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 506, 561, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 31 GLU HB3 35 SER HN 5.38 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 506, 559, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 31 GLU HB3 35 SER QB 5.37 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 563, 564,
&end
#
# 31 GLU HG2 36 ARG HG2 4.39 (#SUP 0.96 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 508, 577, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 31 GLU HG2 36 ARG HG3 4.24 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 508, 578, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 31 GLU HG2 36 ARG HN 5.14 (#SUP 0.53 #QF 0.53)
&rst
ixpk= 0, nxpk= 0, iat= 508, 570, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 31 GLU HG3 36 ARG HG2 4.39 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 509, 577, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 31 GLU HG3 36 ARG HG3 4.24 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 509, 578, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 31 GLU HG3 36 ARG HN 5.14 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 509, 570, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 31 GLU HN 31 GLU HB2 2.83 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= 501, 505, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end
#
# 31 GLU HN 31 GLU HB3 3.71 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 501, 506, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 31 GLU HN 31 GLU QG 3.02
&rst
ixpk= 0, nxpk= 0, iat= 501, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr2= 508, 509,
&end
#
# 31 GLU HN 32 HIS HN 3.42 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 501, 516, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 31 GLU HN 32 HIS QB 4.70
&rst
ixpk= 0, nxpk= 0, iat= 501, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 520, 521,
&end
#
# 31 GLU HN 36 ARG HG2 4.76 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 501, 577, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 31 GLU HN 36 ARG HG3 5.06 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 501, 578, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 31 GLU QG 32 HIS HN 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 516, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 508, 509,
&end
#
# 31 GLU QG 35 SER HA 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 561, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 508, 509,
&end
#
# 31 GLU QG 35 SER HN 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 508, 509,
&end
#
# 31 GLU QG 36 ARG HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 572, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 508, 509,
&end
#
# 31 GLU QG 36 ARG HB2 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 574, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 508, 509,
&end
#
# 31 GLU QG 36 ARG HE 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 508, 509,
&end
#
# 31 GLU QG 36 ARG HG2 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 577, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 508, 509,
&end
#
# 31 GLU QG 36 ARG HG3 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 508, 509,
&end
#
# 31 GLU QG 36 ARG HN 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 570, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 508, 509,
&end
#
# 31 GLU QG 36 ARG QD 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 508, 509,
igr2= 580, 581,
&end
#
# 32 HIS HA 32 HIS HD2 4.43 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 518, 529, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 32 HIS HB2 105 GLY HA2 5.50 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 520,1671, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 HIS HB2 105 GLY HA3 5.50 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 520,1672, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 HIS HB3 105 GLY HA2 5.50 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat= 521,1671, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 HIS HB3 105 GLY HA3 5.50 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= 521,1672, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 HIS HD2 105 GLY QA 4.92
&rst
ixpk= 0, nxpk= 0, iat= 529, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1671,1672,
&end
#
# 32 HIS HN 32 HIS HB2 3.59 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 516, 520, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 32 HIS HN 32 HIS HB3 3.59 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 516, 521, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 32 HIS HN 32 HIS HD2 4.63 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 516, 529, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 32 HIS HN 32 HIS QB 3.03
&rst
ixpk= 0, nxpk= 0, iat= 516, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr2= 520, 521,
&end
#
# 32 HIS HN 33 GLU HN 3.36 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= 516, 533, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 32 HIS HN 34 SER HN 4.97 (#SUP 0.95 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= 516, 548, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 32 HIS QB 105 GLY QA 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 520, 521,
igr2=1671,1672,
&end
#
# 32 HIS QB 109 HIS HD2 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1749, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 520, 521,
&end
#
# 32 HIS QB 109 HIS QB 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 520, 521,
igr2=1740,1741,
&end
#
# 32 HIS QB 33 GLU HN 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 520, 521,
&end
#
# 32 HIS QB 33 GLU QB 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 520, 521,
igr2= 537, 538,
&end
#
# 33 GLU HA 33 GLU QG 3.52
&rst
ixpk= 0, nxpk= 0, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 540, 541,
&end
#
# 33 GLU HG2 103 TRP HD1 4.29 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 540,1632, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 33 GLU HG3 103 TRP HD1 4.29 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 541,1632, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 33 GLU HN 33 GLU HG2 4.40 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 533, 540, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 33 GLU HN 33 GLU HG3 4.40 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 533, 541, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 33 GLU HN 33 GLU QB 3.36 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 537, 538,
&end
#
# 33 GLU HN 33 GLU QG 3.86
&rst
ixpk= 0, nxpk= 0, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2= 540, 541,
&end
#
# 33 GLU HN 34 SER HN 3.27 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 533, 548, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 33 GLU HN 35 SER HN 3.99 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat= 533, 559, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 33 GLU HN 36 ARG HN 5.30 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 533, 570, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 33 GLU QB 103 TRP HD1 4.16 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= -1,1632, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 537, 538,
&end
#
# 33 GLU QB 103 TRP HE1 4.99 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= -1,1634, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 537, 538,
&end
#
# 33 GLU QB 34 SER HN 3.18 (#SUP 0.62 #QF 0.62)
&rst
ixpk= 0, nxpk= 0, iat= -1, 548, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr1= 537, 538,
&end
#
# 33 GLU QB 34 SER QB 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 537, 538,
igr2= 552, 553,
&end
#
# 33 GLU QB 54 PHE HA 4.69 (#SUP 0.38 #QF 0.38)
&rst
ixpk= 0, nxpk= 0, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 537, 538,
&end
#
# 33 GLU QG 103 TRP HB3 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1,1629, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 540, 541,
&end
#
# 33 GLU QG 103 TRP HD1 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1632, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 540, 541,
&end
#
# 33 GLU QG 103 TRP HE1 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1634, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 540, 541,
&end
#
# 33 GLU QG 34 SER HN 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 548, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 540, 541,
&end
#
# 34 SER HA 40 LYS HG2 4.40 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 550, 638, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 34 SER HA 40 LYS HG3 4.40 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat= 550, 639, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 34 SER HA 40 LYS QG 3.65
&rst
ixpk= 0, nxpk= 0, iat= 550, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 638, 639,
&end
#
# 34 SER HA 55 GLN QG 4.58
&rst
ixpk= 0, nxpk= 0, iat= 550, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 873, 874,
&end
#
# 34 SER HB2 36 ARG HN 4.91 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 552, 570, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 34 SER HB2 37 ASP HN 4.11 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 552, 594, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 34 SER HB2 40 LYS HB3 4.56 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= 552, 636, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 34 SER HB2 53 LEU HA 3.81 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 552, 829, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 34 SER HB3 36 ARG HN 4.91 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 553, 570, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 34 SER HB3 37 ASP HN 4.11 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 553, 594, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 34 SER HB3 40 LYS HB3 4.56 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 553, 636, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 34 SER HB3 53 LEU HA 3.81 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 553, 829, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 34 SER HN 34 SER QB 3.49
&rst
ixpk= 0, nxpk= 0, iat= 548, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 552, 553,
&end
#
# 34 SER HN 35 SER HA 4.31 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 548, 561, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 34 SER HN 35 SER HN 2.90 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 548, 559, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 34 SER HN 36 ARG HN 4.01 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 548, 570, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 34 SER HN 53 LEU HA 4.93 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat= 548, 829, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 34 SER HN 55 GLN HB2 5.50 (#SUP 0.77 #QF 0.22)
&rst
ixpk= 0, nxpk= 0, iat= 548, 870, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 SER QB 36 ARG HN 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 570, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 552, 553,
&end
#
# 34 SER QB 37 ASP HN 3.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 594, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1= 552, 553,
&end
#
# 34 SER QB 37 ASP QB 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 552, 553,
igr2= 598, 599,
&end
#
# 34 SER QB 40 LYS HB2 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 552, 553,
&end
#
# 34 SER QB 40 LYS HB3 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 636, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 552, 553,
&end
#
# 34 SER QB 53 LEU HA 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 829, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1= 552, 553,
&end
#
# 34 SER QB 53 LEU QD1 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 552, 553,
igr2= 836, 837, 838,
&end
#
# 34 SER QB 55 GLN HB2 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 870, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 552, 553,
&end
#
# 34 SER QB 55 GLN HN 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 866, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 552, 553,
&end
#
# 34 SER QB 55 GLN QE2 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 552, 553,
igr2= 878, 879,
&end
#
# 34 SER QB 55 GLN QG 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 552, 553,
igr2= 873, 874,
&end
#
# 35 SER HA 35 SER QB 2.90 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2= 563, 564,
&end
#
# 35 SER HA 36 ARG HA 5.05 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 561, 572, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 35 SER HA 36 ARG HG2 4.58 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 561, 577, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 35 SER HA 36 ARG HN 3.54 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 561, 570, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 35 SER HA 37 ASP HN 4.88 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 561, 594, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 35 SER HN 35 SER HA 2.79 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 559, 561, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29, &end
#
# 35 SER HN 35 SER QB 3.52 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 563, 564,
&end
#
# 35 SER HN 36 ARG HA 5.02 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 559, 572, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 35 SER HN 36 ARG HG3 5.01 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= 559, 578, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 35 SER HN 36 ARG HN 3.39 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 559, 570, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 35 SER HN 37 ASP HN 4.92 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 559, 594, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 35 SER QB 36 ARG HB2 4.85 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= -1, 574, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 563, 564,
&end
#
# 35 SER QB 36 ARG HG2 5.39 (#SUP 0.34 #QF 0.34)
&rst
ixpk= 0, nxpk= 0, iat= -1, 577, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 563, 564,
&end
#
# 35 SER QB 36 ARG HN 4.23 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, 570, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 563, 564,
&end
#
# 35 SER QB 37 ASP HN 4.33 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1, 594, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 563, 564,
&end
#
# 35 SER QB 37 ASP QB 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 563, 564,
igr2= 598, 599,
&end
#
# 36 ARG HA 36 ARG HG2 4.11 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 572, 577, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 36 ARG HA 36 ARG HG3 3.79 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 572, 578, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 36 ARG HA 36 ARG QD 5.28
&rst
ixpk= 1, nxpk= 0, iat= 572, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 580, 581,
&end
#
# 36 ARG HA 37 ASP HN 3.16 (#SUP 0.95 #QF 0.50)
&rst
ixpk= 0, nxpk= 0, iat= 572, 594, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 36 ARG HA 53 LEU HA 5.50 (#SUP 0.89 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= 572, 829, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 ARG HA 53 LEU QD1 3.40 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 572, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 836, 837, 838,
&end
#
# 36 ARG HA 53 LEU QD2 3.86 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 572, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 840, 841, 842,
&end
#
# 36 ARG HB2 36 ARG HE 4.91 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 574, 583, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 36 ARG HB2 53 LEU QD1 5.01 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 574, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 836, 837, 838,
&end
#
# 36 ARG HB3 36 ARG HD2 4.15 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 575, 580, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 36 ARG HB3 36 ARG HD3 4.15 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 575, 581, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 36 ARG HB3 36 ARG HE 4.70 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 575, 583, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 36 ARG HB3 36 ARG QD 3.56
&rst
ixpk= 0, nxpk= 0, iat= 575, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 580, 581,
&end
#
# 36 ARG HB3 37 ASP HN 4.94 (#SUP 1.00 #QF 0.88)
&rst
ixpk= 1, nxpk= 0, iat= 575, 594, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 36 ARG HB3 53 LEU QD1 4.61 (#SUP 0.94 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 575, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 836, 837, 838,
&end
#
# 36 ARG HG2 37 ASP HN 5.38 (#SUP 0.54 #QF 0.32)
&rst
ixpk= 0, nxpk= 0, iat= 577, 594, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 36 ARG HN 36 ARG HA 2.86 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 570, 572, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 36 ARG HN 36 ARG HB3 4.11 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 570, 575, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 36 ARG HN 36 ARG HG2 3.95 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 570, 577, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 36 ARG HN 36 ARG HG3 3.88 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 570, 578, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 36 ARG HN 53 LEU HA 5.41 (#SUP 0.58 #QF 0.58)
&rst
ixpk= 0, nxpk= 0, iat= 570, 829, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 36 ARG HN 53 LEU QD1 4.16 (#SUP 0.84 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat= 570, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 836, 837, 838,
&end
#
# 36 ARG HN 53 LEU QD2 4.45 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= 570, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 840, 841, 842,
&end
#
# 36 ARG QD 36 ARG QH1 3.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 580, 581,
igr2= 586, 587,
&end
#
# 36 ARG QD 36 ARG QH2 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 580, 581,
igr2= 589, 590,
&end
#
# 37 ASP HA 38 THR HA 4.59 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= 596, 608, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 37 ASP HA 38 THR HN 2.69 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 596, 606, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19, &end
#
# 37 ASP HA 38 THR QG2 4.19 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 596, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 612, 613, 614,
&end
#
# 37 ASP HA 39 SER HN 4.00 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 596, 620, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 37 ASP HA 40 LYS HN 4.99 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat= 596, 631, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 37 ASP HB2 38 THR HN 4.67 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 598, 606, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 37 ASP HB2 39 SER HN 4.83 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 598, 620, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 37 ASP HB2 40 LYS HB2 4.17 (#SUP 0.96 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 598, 635, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 37 ASP HB3 38 THR HN 4.67 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 599, 606, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 37 ASP HB3 39 SER HN 4.83 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 599, 620, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 37 ASP HB3 40 LYS HB2 4.17 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 599, 635, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 37 ASP HN 37 ASP HB2 3.87 (#SUP 0.95 #QF 0.50)
&rst
ixpk= 0, nxpk= 0, iat= 594, 598, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 37 ASP HN 37 ASP HB3 3.87 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 594, 599, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 37 ASP HN 37 ASP QB 3.19
&rst
ixpk= 0, nxpk= 0, iat= 594, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 598, 599,
&end
#
# 37 ASP HN 38 THR HN 4.31 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 594, 606, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 37 ASP HN 38 THR QG2 5.50 (#SUP 0.54 #QF 0.32)
&rst
ixpk= 0, nxpk= 0, iat= 594, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 612, 613, 614,
&end
#
# 37 ASP HN 39 SER HN 5.50 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 594, 620, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 ASP HN 40 LYS HB2 5.18 (#SUP 1.00 #QF 0.88)
&rst
ixpk= 1, nxpk= 0, iat= 594, 635, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 37 ASP HN 40 LYS HB3 4.95 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 594, 636, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 37 ASP HN 53 LEU HA 4.56 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 594, 829, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 37 ASP HN 53 LEU QD1 3.84 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= 594, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 836, 837, 838,
&end
#
# 37 ASP HN 53 LEU QD2 4.59 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 594, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 840, 841, 842,
&end
#
# 37 ASP QB 40 LYS HA 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 633, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 598, 599,
&end
#
# 37 ASP QB 40 LYS HB2 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 598, 599,
&end
#
# 37 ASP QB 40 LYS HB3 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 636, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 598, 599,
&end
#
# 37 ASP QB 40 LYS HN 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 631, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1= 598, 599,
&end
#
# 37 ASP QB 40 LYS QG 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 598, 599,
igr2= 638, 639,
&end
#
# 37 ASP QB 53 LEU HA 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 829, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 598, 599,
&end
#
# 38 THR HA 38 THR QG2 3.14 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 612, 613, 614,
&end
#
# 38 THR HA 40 LYS HB2 5.48 (#SUP 0.42 #QF 0.42)
&rst
ixpk= 0, nxpk= 0, iat= 608, 635, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 38 THR HA 53 LEU HB2 3.50 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat= 608, 831, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 38 THR HA 53 LEU HB3 5.05 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= 608, 832, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 38 THR HA 53 LEU HN 3.55 (#SUP 0.23 #QF 0.23)
&rst
ixpk= 0, nxpk= 0, iat= 608, 827, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 38 THR HA 53 LEU QD1 3.79 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 836, 837, 838,
&end
#
# 38 THR HA 53 LEU QD2 4.80 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 840, 841, 842,
&end
#
# 38 THR HA 80 LEU QD2 4.33 (#SUP 0.64 #QF 0.64)
&rst
ixpk= 0, nxpk= 0, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1250,1251,1252,
&end
#
# 38 THR HA 84 ILE QG2 5.12 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2=1300,1301,1302,
&end
#
# 38 THR HB 39 SER HN 4.41 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 610, 620, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 38 THR HB 53 LEU HB2 5.46 (#SUP 0.99 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= 610, 831, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 38 THR HB 53 LEU QD1 4.57 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 836, 837, 838,
&end
#
# 38 THR HB 80 LEU HA 4.33 (#SUP 0.97 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= 610,1239, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 38 THR HB 80 LEU QD2 4.20 (#SUP 0.30 #QF 0.30)
&rst
ixpk= 0, nxpk= 0, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1250,1251,1252,
&end
#
# 38 THR HB 81 THR HN 4.88 (#SUP 0.55 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat= 610,1256, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 38 THR HN 38 THR HB 3.96 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 606, 610, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 38 THR HN 38 THR QG2 2.98 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 606, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 612, 613, 614,
&end
#
# 38 THR HN 39 SER HN 3.05 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 606, 620, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 38 THR HN 40 LYS HN 4.85 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 606, 631, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 38 THR HN 53 LEU QD1 4.31 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 606, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 836, 837, 838,
&end
#
# 38 THR HN 53 LEU QD2 5.22 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 606, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2= 840, 841, 842,
&end
#
# 38 THR HN 84 ILE QG2 5.41 (#SUP 0.87 #QF 0.40)
&rst
ixpk= 0, nxpk= 0, iat= 606, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2=1300,1301,1302,
&end
#
# 38 THR QG2 39 SER HN 4.20 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1, 620, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 612, 613, 614,
&end
#
# 38 THR QG2 53 LEU HN 4.84 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 612, 613, 614,
&end
#
# 38 THR QG2 53 LEU QD1 3.34 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 612, 613, 614,
igr2= 836, 837, 838,
&end
#
# 38 THR QG2 53 LEU QD2 3.54 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 612, 613, 614,
igr2= 840, 841, 842,
&end
#
# 38 THR QG2 84 ILE HN 4.81 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= -1,1294, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 612, 613, 614,
&end
#
# 38 THR QG2 84 ILE QG2 3.07 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 612, 613, 614,
igr2=1300,1301,1302,
&end
#
# 38 THR QG2 87 ALA QB 4.80 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 612, 613, 614,
igr2=1353,1354,1355,
&end
#
# 39 SER HA 80 LEU HA 3.87 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat= 622,1239, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 39 SER HA 80 LEU HB2 4.78 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 622,1241, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 39 SER HA 80 LEU HB3 4.38 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 622,1242, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 39 SER HB2 80 LEU QD2 5.25 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 624, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=1250,1251,1252,
&end
#
# 39 SER HB3 80 LEU QD2 5.25 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=1250,1251,1252,
&end
#
# 39 SER HN 39 SER HB2 3.54 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 620, 624, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 39 SER HN 39 SER HB3 3.54 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 620, 625, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 39 SER HN 39 SER QB 3.03
&rst
ixpk= 0, nxpk= 0, iat= 620, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr2= 624, 625,
&end
#
# 39 SER HN 40 LYS HB2 4.78 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 620, 635, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 39 SER HN 40 LYS HB3 5.39 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 620, 636, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 39 SER HN 40 LYS HN 2.96 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 620, 631, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 39 SER HN 80 LEU QD2 4.70 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 620, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=1250,1251,1252,
&end
#
# 39 SER QB 40 LYS HB2 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 624, 625,
&end
#
# 39 SER QB 40 LYS HN 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 631, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 624, 625,
&end
#
# 39 SER QB 80 LEU HB3 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1242, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 624, 625,
&end
#
# 39 SER QB 80 LEU QD1 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 624, 625,
igr2=1246,1247,1248,
&end
#
# 39 SER QB 80 LEU QD2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 624, 625,
igr2=1250,1251,1252,
&end
#
# 40 LYS HA 40 LYS HG2 4.24 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 633, 638, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 40 LYS HA 40 LYS HG3 4.24 (#SUP 1.00 #QF 0.99)
&rst
ixpk= 1, nxpk= 0, iat= 633, 639, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 40 LYS HA 40 LYS QE 4.05
&rst
ixpk= 1, nxpk= 0, iat= 633, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 644, 645,
&end
#
# 40 LYS HA 40 LYS QG 3.62
&rst
ixpk= 1, nxpk= 0, iat= 633, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 638, 639,
&end
#
# 40 LYS HA 41 THR HA 4.97 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 633, 655, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 40 LYS HA 41 THR HN 2.53 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 633, 653, r1= 1.30, r2= 1.80, r3= 2.53, r4= 3.03, &end
#
# 40 LYS HA 41 THR QG2 4.48 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 633, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 659, 660, 661,
&end
#
# 40 LYS HA 80 LEU QD2 5.50 (#SUP 1.00 #QF 0.98)
&rst
ixpk= 1, nxpk= 0, iat= 633, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1250,1251,1252,
&end
#
# 40 LYS HB2 41 THR HN 4.18 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 635, 653, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 40 LYS HB2 53 LEU QD1 5.26 (#SUP 0.94 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2= 836, 837, 838,
&end
#
# 40 LYS HB2 55 GLN QE2 4.77
&rst
ixpk= 0, nxpk= 0, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 878, 879,
&end
#
# 40 LYS HB3 41 THR HN 3.99 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 636, 653, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 40 LYS HB3 52 GLY HN 5.39 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= 636, 820, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 40 LYS HB3 55 GLN HE21 4.31 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 636, 878, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 40 LYS HB3 55 GLN HE22 4.31 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 636, 879, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 40 LYS HB3 55 GLN QE2 3.74
&rst
ixpk= 0, nxpk= 0, iat= 636, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 878, 879,
&end
#
# 40 LYS HB3 55 GLN QG 5.34
&rst
ixpk= 0, nxpk= 0, iat= 636, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 873, 874,
&end
#
# 40 LYS HG2 41 THR HN 4.02 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 638, 653, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 40 LYS HG2 42 ASN HD22 5.01 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat= 638, 677, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 40 LYS HG3 41 THR HN 4.02 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 639, 653, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 40 LYS HG3 42 ASN HD22 5.01 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat= 639, 677, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 40 LYS HN 40 LYS HB2 2.95 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 631, 635, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 40 LYS HN 40 LYS HB3 3.02 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 631, 636, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 40 LYS HN 40 LYS HG2 4.69 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 631, 638, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 40 LYS HN 40 LYS HG3 4.69 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 631, 639, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 40 LYS HN 40 LYS QE 4.74
&rst
ixpk= 1, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 644, 645,
&end
#
# 40 LYS HN 41 THR HN 4.63 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 631, 653, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 40 LYS HN 52 GLY HN 4.81 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 631, 820, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 40 LYS HN 53 LEU QD1 4.95 (#SUP 0.50 #QF 0.50)
&rst
ixpk= 0, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 836, 837, 838,
&end
#
# 40 LYS HN 80 LEU QD2 4.00 (#SUP 0.61 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1250,1251,1252,
&end
#
# 40 LYS QE 41 THR HN 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 653, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 644, 645,
&end
#
# 40 LYS QG 41 THR HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 655, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 638, 639,
&end
#
# 40 LYS QG 42 ASN HD21 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 676, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 638, 639,
&end
#
# 40 LYS QG 55 GLN QE2 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 638, 639,
igr2= 878, 879,
&end
#
# 41 THR HA 41 THR QG2 3.23 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 655, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 659, 660, 661,
&end
#
# 41 THR HA 42 ASN HB2 4.45 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 655, 671, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 41 THR HA 42 ASN HB3 5.50 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 655, 672, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 THR HA 42 ASN HN 2.74 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 655, 667, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24, &end
#
# 41 THR HA 49 LYS HG2 4.84 (#SUP 0.69 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat= 655, 772, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 41 THR HA 52 GLY HN 5.05 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= 655, 820, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 41 THR HA 80 LEU QD2 4.77 (#SUP 0.66 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat= 655, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2=1250,1251,1252,
&end
#
# 41 THR HB 42 ASN HA 4.97 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 657, 669, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 41 THR HB 42 ASN HN 3.33 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 657, 667, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 41 THR HB 49 LYS HD2 4.30 (#SUP 0.54 #QF 0.30)
&rst
ixpk= 0, nxpk= 0, iat= 657, 775, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 41 THR HB 49 LYS HD3 4.30 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 657, 776, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 41 THR HB 49 LYS HE2 5.15 (#SUP 0.86 #QF 0.52)
&rst
ixpk= 0, nxpk= 0, iat= 657, 778, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 41 THR HB 49 LYS HE3 5.15 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 657, 779, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 41 THR HB 49 LYS HG2 4.17 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 657, 772, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 41 THR HB 49 LYS HG3 4.71 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= 657, 773, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 41 THR HB 49 LYS QE 4.30
&rst
ixpk= 0, nxpk= 0, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 778, 779,
&end
#
# 41 THR HB 50 ASP HN 4.95 (#SUP 0.44 #QF 0.44)
&rst
ixpk= 0, nxpk= 0, iat= 657, 787, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 41 THR HB 51 TYR QD 5.23 (#SUP 0.92 #QF 0.31)
&rst
ixpk= 0, nxpk= 0, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 807, 816,
&end
#
# 41 THR HB 51 TYR QE 5.37 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 809, 814,
&end
#
# 41 THR HB 80 LEU QD2 5.50 (#SUP 0.89 #QF 0.58)
&rst
ixpk= 0, nxpk= 0, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1250,1251,1252,
&end
#
# 41 THR HN 41 THR HB 3.89 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 653, 657, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 41 THR HN 41 THR QG2 3.72 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 653, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 659, 660, 661,
&end
#
# 41 THR HN 42 ASN HA 5.00 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 653, 669, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 41 THR QG2 42 ASN HA 5.33 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= -1, 669, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 659, 660, 661,
&end
#
# 41 THR QG2 42 ASN HN 3.61 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, 667, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 659, 660, 661,
&end
#
# 41 THR QG2 49 LYS HB2 5.50 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, 769, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 659, 660, 661,
&end
#
# 41 THR QG2 49 LYS HB3 4.47 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1, 770, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 659, 660, 661,
&end
#
# 41 THR QG2 49 LYS QD 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 659, 660, 661,
igr2= 775, 776,
&end
#
# 41 THR QG2 49 LYS QE 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 659, 660, 661,
igr2= 778, 779,
&end
#
# 41 THR QG2 51 TYR QD 3.67 (#SUP 0.78 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 659, 660, 661,
igr2= 807, 816,
&end
#
# 41 THR QG2 51 TYR QE 3.96 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 659, 660, 661,
igr2= 809, 814,
&end
#
# 41 THR QG2 52 GLY HN 4.18 (#SUP 0.42 #QF 0.42)
&rst
ixpk= 0, nxpk= 0, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 659, 660, 661,
&end
#
# 42 ASN HA 43 THR HB 4.82 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 669, 685, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 42 ASN HA 43 THR HN 2.60 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat= 669, 681, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 42 ASN HB2 42 ASN HD21 2.87 (#SUP 0.68 #QF 0.56)
&rst
ixpk= 0, nxpk= 0, iat= 671, 676, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end
#
# 42 ASN HB2 42 ASN HD22 3.70 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= 671, 677, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 42 ASN HB2 43 THR HN 4.63 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 671, 681, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 42 ASN HB2 50 ASP HN 4.50 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 671, 787, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 42 ASN HB2 50 ASP QB 3.55
&rst
ixpk= 0, nxpk= 0, iat= 671, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 791, 792,
&end
#
# 42 ASN HB3 43 THR HN 3.69 (#SUP 0.74 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat= 672, 681, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 42 ASN HB3 50 ASP HN 4.77 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat= 672, 787, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 42 ASN HB3 50 ASP QB 3.93
&rst
ixpk= 0, nxpk= 0, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 791, 792,
&end
#
# 42 ASN HN 42 ASN HB2 3.20 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= 667, 671, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 42 ASN HN 42 ASN HB3 3.95 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 667, 672, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 42 ASN HN 42 ASN HD21 4.77 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 667, 676, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 42 ASN HN 43 THR HN 4.34 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= 667, 681, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 42 ASN HN 49 LYS HG2 4.14 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 667, 772, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 42 ASN HN 49 LYS HG3 4.66 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= 667, 773, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 42 ASN HN 49 LYS QD 4.82
&rst
ixpk= 0, nxpk= 0, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2= 775, 776,
&end
#
# 42 ASN HN 50 ASP HN 3.27 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= 667, 787, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 42 ASN HN 50 ASP QB 3.63
&rst
ixpk= 0, nxpk= 0, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 791, 792,
&end
#
# 43 THR HA 43 THR QG2 3.21 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 683, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 687, 688, 689,
&end
#
# 43 THR HA 44 ASN HN 2.68 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= 683, 695, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18, &end
#
# 43 THR HA 49 LYS HA 3.45 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 683, 767, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 43 THR HA 49 LYS HB2 4.97 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 683, 769, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 43 THR HA 49 LYS HB3 4.56 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 683, 770, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 43 THR HA 49 LYS HG2 4.15 (#SUP 0.42 #QF 0.42)
&rst
ixpk= 0, nxpk= 0, iat= 683, 772, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 43 THR HA 49 LYS HG3 3.74 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 683, 773, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 43 THR HA 50 ASP HN 4.11 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 683, 787, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 43 THR HB 44 ASN HN 4.02 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 685, 695, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 43 THR HN 43 THR HB 2.94 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 681, 685, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 43 THR HN 43 THR QG2 3.99 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 681, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 687, 688, 689,
&end
#
# 43 THR QG2 44 ASN HN 3.25 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1, 695, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr1= 687, 688, 689,
&end
#
# 43 THR QG2 47 GLY HA2 3.94 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, 749, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 687, 688, 689,
&end
#
# 43 THR QG2 47 GLY HA3 4.84 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 687, 688, 689,
&end
#
# 43 THR QG2 47 GLY HN 4.22 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, 747, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 687, 688, 689,
&end
#
# 43 THR QG2 48 SER HN 4.93 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1, 754, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 687, 688, 689,
&end
#
# 43 THR QG2 49 LYS HA 4.35 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 687, 688, 689,
&end
#
# 44 ASN HA 45 ARG HA 4.43 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 697, 711, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 44 ASN HA 45 ARG HN 2.87 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= 697, 709, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end
#
# 44 ASN HA 46 ASN HN 4.62 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 697, 733, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 44 ASN HB2 44 ASN HD21 3.36 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 699, 704, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 44 ASN HB2 44 ASN HD22 3.84 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 699, 705, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 44 ASN HB2 45 ARG HN 3.78 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 699, 709, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 44 ASN HB2 46 ASN HN 3.71 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 699, 733, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 44 ASN HB2 47 GLY HN 4.25 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= 699, 747, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 44 ASN HB2 48 SER HN 4.11 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat= 699, 754, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 44 ASN HB3 45 ARG HN 3.14 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 700, 709, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 44 ASN HB3 46 ASN HN 3.82 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 700, 733, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 44 ASN HD21 45 ARG HN 5.50 (#SUP 0.89 #QF 0.49)
&rst
ixpk= 0, nxpk= 0, iat= 704, 709, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 ASN HD21 48 SER HN 4.27 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 704, 754, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 44 ASN HD21 48 SER QB 4.89
&rst
ixpk= 0, nxpk= 0, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 758, 759,
&end
#
# 44 ASN HD21 49 LYS HA 4.27 (#SUP 0.41 #QF 0.41)
&rst
ixpk= 0, nxpk= 0, iat= 704, 767, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 44 ASN HD21 49 LYS HN 4.97 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 704, 765, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 44 ASN HD21 57 ASN HD21 4.75 (#SUP 0.97 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= 704, 911, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 44 ASN HD21 57 ASN HD22 4.75 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= 704, 912, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 44 ASN HD21 57 ASN QD2 4.14
&rst
ixpk= 0, nxpk= 0, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 911, 912,
&end
#
# 44 ASN HD22 49 LYS HA 4.76 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 705, 767, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 44 ASN HD22 49 LYS HN 5.05 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= 705, 765, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 44 ASN HD22 50 ASP HN 4.63 (#SUP 0.84 #QF 0.40)
&rst
ixpk= 0, nxpk= 0, iat= 705, 787, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 44 ASN HD22 57 ASN QD2 4.81
&rst
ixpk= 0, nxpk= 0, iat= 705, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 911, 912,
&end
#
# 44 ASN HN 44 ASN HB2 3.14 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 695, 699, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 44 ASN HN 44 ASN HB3 3.94 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 695, 700, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 44 ASN HN 44 ASN HD21 3.79 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 695, 704, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 44 ASN HN 44 ASN HD22 4.58 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 695, 705, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 44 ASN HN 47 GLY HA2 5.06 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 695, 749, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 44 ASN HN 47 GLY HN 4.45 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 695, 747, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 44 ASN HN 48 SER HN 4.79 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 695, 754, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 44 ASN HN 49 LYS HA 3.45 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 695, 767, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 44 ASN HN 49 LYS HB2 5.12 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 695, 769, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 44 ASN HN 49 LYS HG3 4.86 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= 695, 773, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 44 ASN HN 50 ASP HN 5.14 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 695, 787, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 45 ARG HA 45 ARG QB 2.80 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 713, 714,
&end
#
# 45 ARG HA 45 ARG QD 4.34 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 719, 720,
&end
#
# 45 ARG HA 45 ARG QG 3.87 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 716, 717,
&end
#
# 45 ARG HA 47 GLY HN 4.23 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat= 711, 747, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 45 ARG HN 45 ARG HE 5.50 (#SUP 0.89 #QF 0.49)
&rst
ixpk= 0, nxpk= 0, iat= 709, 722, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 ARG HN 45 ARG QB 2.81 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr2= 713, 714,
&end
#
# 45 ARG HN 45 ARG QD 4.82 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2= 719, 720,
&end
#
# 45 ARG HN 45 ARG QG 3.38 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 716, 717,
&end
#
# 45 ARG HN 46 ASN HN 3.32 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 709, 733, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 45 ARG QB 45 ARG HE 4.95 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= -1, 722, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 713, 714,
&end
#
# 45 ARG QB 45 ARG QD 3.36 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 713, 714,
igr2= 719, 720,
&end
#
# 45 ARG QB 46 ASN HN 3.38 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat= -1, 733, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1= 713, 714,
&end
#
# 45 ARG QB 47 GLY HN 5.19 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= -1, 747, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 713, 714,
&end
#
# 45 ARG QG 45 ARG QD 2.96 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr1= 716, 717,
igr2= 719, 720,
&end
#
# 45 ARG QG 46 ASN HN 4.09 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= -1, 733, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 716, 717,
&end
#
# 46 ASN HA 46 ASN QD2 4.44
&rst
ixpk= 0, nxpk= 0, iat= 735, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 742, 743,
&end
#
# 46 ASN HB2 47 GLY HN 4.60 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 737, 747, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 46 ASN HB3 47 GLY HN 4.60 (#SUP 0.92 #QF 0.26)
&rst
ixpk= 0, nxpk= 0, iat= 738, 747, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 46 ASN HN 46 ASN HB2 3.96 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 733, 737, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 46 ASN HN 46 ASN HB3 3.96 (#SUP 1.00 #QF 0.99)
&rst
ixpk= 1, nxpk= 0, iat= 733, 738, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 46 ASN HN 46 ASN QB 3.36
&rst
ixpk= 1, nxpk= 0, iat= 733, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 737, 738,
&end
#
# 46 ASN HN 46 ASN QD2 4.64
&rst
ixpk= 1, nxpk= 0, iat= 733, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 742, 743,
&end
#
# 46 ASN QB 46 ASN QD2 2.87
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,
igr1= 737, 738,
igr2= 742, 743,
&end
#
# 46 ASN QB 47 GLY HN 3.84
&rst
ixpk= 1, nxpk= 0, iat= -1, 747, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 737, 738,
&end
#
# 46 ASN QB 48 SER HN 3.67
&rst
ixpk= 1, nxpk= 0, iat= -1, 754, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 737, 738,
&end
#
# 47 GLY HA3 48 SER HN 3.33 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 750, 754, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 47 GLY HN 47 GLY HA2 2.86 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 747, 749, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 47 GLY HN 48 SER HN 3.31 (#SUP 0.59 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat= 747, 754, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 48 SER HA 49 LYS HN 2.82 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= 756, 765, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, &end
#
# 48 SER HA 59 ARG QD 5.50 (#SUP 0.56 #QF 0.56)
&rst
ixpk= 0, nxpk= 0, iat= 756, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 938, 939,
&end
#
# 48 SER HB2 49 LYS HN 3.75 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 758, 765, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 48 SER HB3 49 LYS HN 3.75 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 759, 765, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 48 SER HN 48 SER QB 3.18
&rst
ixpk= 1, nxpk= 0, iat= 754, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2= 758, 759,
&end
#
# 48 SER HN 49 LYS HN 4.79 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 754, 765, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 48 SER HN 59 ARG QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 754, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 932, 933,
&end
#
# 48 SER QB 49 LYS HN 2.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 765, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr1= 758, 759,
&end
#
# 48 SER QB 57 ASN QD2 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 758, 759,
igr2= 911, 912,
&end
#
# 48 SER QB 58 ASP HN 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 758, 759,
&end
#
# 48 SER QB 59 ARG HE 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 941, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 758, 759,
&end
#
# 48 SER QB 59 ARG HN 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 928, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 758, 759,
&end
#
# 48 SER QB 59 ARG QB 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 758, 759,
igr2= 932, 933,
&end
#
# 48 SER QB 59 ARG QD 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 758, 759,
igr2= 938, 939,
&end
#
# 49 LYS HA 49 LYS HG2 3.91 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 767, 772, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 49 LYS HA 49 LYS HG3 3.76 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 767, 773, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 49 LYS HA 49 LYS QD 4.93
&rst
ixpk= 1, nxpk= 0, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2= 775, 776,
&end
#
# 49 LYS HA 50 ASP HN 2.78 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 767, 787, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28, &end
#
# 49 LYS HB2 49 LYS HE2 5.13 (#SUP 0.90 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat= 769, 778, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 49 LYS HB2 49 LYS HE3 5.13 (#SUP 0.90 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat= 769, 779, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 49 LYS HB2 49 LYS QD 3.68
&rst
ixpk= 0, nxpk= 0, iat= 769, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 775, 776,
&end
#
# 49 LYS HB2 49 LYS QE 4.28
&rst
ixpk= 0, nxpk= 0, iat= 769, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 778, 779,
&end
#
# 49 LYS HB2 50 ASP HN 4.07 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 769, 787, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 49 LYS HB2 51 TYR QE 3.89 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 769, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 809, 814,
&end
#
# 49 LYS HB3 49 LYS HE2 4.93 (#SUP 0.85 #QF 0.60)
&rst
ixpk= 0, nxpk= 0, iat= 770, 778, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 49 LYS HB3 49 LYS HE3 4.93 (#SUP 0.85 #QF 0.60)
&rst
ixpk= 0, nxpk= 0, iat= 770, 779, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 49 LYS HB3 49 LYS QD 3.49
&rst
ixpk= 0, nxpk= 0, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 775, 776,
&end
#
# 49 LYS HB3 49 LYS QE 4.20
&rst
ixpk= 0, nxpk= 0, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 778, 779,
&end
#
# 49 LYS HB3 50 ASP HN 3.82 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 770, 787, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 49 LYS HB3 51 TYR QD 4.90 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 807, 816,
&end
#
# 49 LYS HB3 51 TYR QE 3.69 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 809, 814,
&end
#
# 49 LYS HD2 51 TYR QE 5.04 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat= 775, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 809, 814,
&end
#
# 49 LYS HD3 51 TYR QE 5.04 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 809, 814,
&end
#
# 49 LYS HG2 49 LYS QE 3.59
&rst
ixpk= 0, nxpk= 0, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 778, 779,
&end
#
# 49 LYS HG2 50 ASP HN 3.34 (#SUP 0.99 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 772, 787, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 49 LYS HG3 50 ASP HN 4.12 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 773, 787, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 49 LYS HN 49 LYS HB2 3.36 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 765, 769, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 49 LYS HN 49 LYS HB3 3.47 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 765, 770, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 49 LYS HN 49 LYS HG3 4.92 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 765, 773, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 49 LYS HN 49 LYS QD 5.34
&rst
ixpk= 0, nxpk= 0, iat= 765, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 775, 776,
&end
#
# 49 LYS HN 50 ASP HN 4.68 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat= 765, 787, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 49 LYS HN 51 TYR QD 5.50 (#SUP 0.98 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat= 765, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 807, 816,
&end
#
# 49 LYS HN 51 TYR QE 4.30 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 765, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 809, 814,
&end
#
# 49 LYS HN 57 ASN HA 5.07 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= 765, 904, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 49 LYS HN 57 ASN HD21 5.50 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 765, 911, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 LYS HN 57 ASN HD22 5.50 (#SUP 0.98 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat= 765, 912, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 LYS HN 57 ASN QD2 4.83
&rst
ixpk= 0, nxpk= 0, iat= 765, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 911, 912,
&end
#
# 49 LYS HN 58 ASP HN 4.20 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= 765, 916, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 49 LYS HN 58 ASP QB 5.33 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 765, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 920, 921,
&end
#
# 49 LYS HN 59 ARG QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 765, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 932, 933,
&end
#
# 49 LYS QD 50 ASP HN 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 775, 776,
&end
#
# 49 LYS QD 51 TYR QE 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 775, 776,
igr2= 809, 814,
&end
#
# 49 LYS QE 51 TYR QE 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 778, 779,
igr2= 809, 814,
&end
#
# 50 ASP HA 51 TYR HB2 4.79 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 789, 803, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 50 ASP HA 51 TYR HN 2.88 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 789, 799, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end
#
# 50 ASP HA 51 TYR QD 3.64 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 789, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2= 807, 816,
&end
#
# 50 ASP HA 51 TYR QE 4.41 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 789, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 809, 814,
&end
#
# 50 ASP HA 55 GLN HA 4.69 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 789, 868, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 50 ASP HA 56 ILE HN 4.81 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 789, 883, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 50 ASP HA 57 ASN HA 3.21 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 789, 904, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 50 ASP HA 57 ASN QB 4.91 (#SUP 0.99 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 789, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 906, 907,
&end
#
# 50 ASP HA 58 ASP HN 4.40 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= 789, 916, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 50 ASP HB2 51 TYR HN 4.24 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= 791, 799, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 50 ASP HB2 55 GLN HB3 4.02 (#SUP 0.60 #QF 0.60)
&rst
ixpk= 0, nxpk= 0, iat= 791, 871, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 50 ASP HB3 51 TYR HN 4.24 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= 792, 799, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 50 ASP HB3 55 GLN HB3 4.02 (#SUP 0.98 #QF 0.60)
&rst
ixpk= 0, nxpk= 0, iat= 792, 871, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 50 ASP HN 50 ASP QB 3.26
&rst
ixpk= 0, nxpk= 0, iat= 787, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2= 791, 792,
&end
#
# 50 ASP HN 51 TYR HN 4.66 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 787, 799, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 50 ASP HN 51 TYR QD 4.98 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 787, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2= 807, 816,
&end
#
# 50 ASP HN 51 TYR QE 4.89 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat= 787, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 809, 814,
&end
#
# 50 ASP QB 51 TYR HN 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 799, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 791, 792,
&end
#
# 50 ASP QB 55 GLN HA 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 868, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1= 791, 792,
&end
#
# 50 ASP QB 55 GLN HB3 3.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 871, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr1= 791, 792,
&end
#
# 50 ASP QB 56 ILE HN 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 883, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 791, 792,
&end
#
# 50 ASP QB 57 ASN HA 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 904, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 791, 792,
&end
#
# 51 TYR HB2 52 GLY HA2 5.50 (#SUP 0.97 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 803, 822, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 TYR HB2 52 GLY HN 4.45 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 803, 820, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 51 TYR HB2 55 GLN HA 5.50 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 803, 868, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 TYR HB2 56 ILE HB 5.09 (#SUP 0.98 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= 803, 887, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 51 TYR HB2 56 ILE HN 5.21 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat= 803, 883, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 51 TYR HB2 58 ASP QB 5.25 (#SUP 0.75 #QF 0.56)
&rst
ixpk= 0, nxpk= 0, iat= 803, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2= 920, 921,
&end
#
# 51 TYR HB2 79 LEU HB2 4.25 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 803,1222, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 51 TYR HB2 79 LEU HB3 5.50 (#SUP 0.98 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= 803,1223, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 TYR HB2 79 LEU HG 4.84 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 803,1225, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 51 TYR HB2 79 LEU QD1 3.56 (#SUP 0.85 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat= 803, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=1227,1228,1229,
&end
#
# 51 TYR HB3 52 GLY HN 4.06 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 804, 820, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 51 TYR HB3 79 LEU HB2 4.08 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 804,1222, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 51 TYR HB3 79 LEU HB3 4.81 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 804,1223, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 51 TYR HB3 80 LEU HG 3.69 (#SUP 0.57 #QF 0.57)
&rst
ixpk= 0, nxpk= 0, iat= 804,1244, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 51 TYR HB3 80 LEU QD2 3.42 (#SUP 0.99 #QF 0.47)
&rst
ixpk= 0, nxpk= 0, iat= 804, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1250,1251,1252,
&end
#
# 51 TYR HN 51 TYR HB2 3.27 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 799, 803, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 51 TYR HN 51 TYR HB3 4.14 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 799, 804, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 51 TYR HN 51 TYR QD 3.01 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 799, -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
igr2= 807, 816,
&end
#
# 51 TYR HN 51 TYR QE 4.90 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 799, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 809, 814,
&end
#
# 51 TYR HN 55 GLN HA 3.83 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 799, 868, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 51 TYR HN 55 GLN HB3 5.50 (#SUP 0.96 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 799, 871, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 TYR HN 56 ILE HB 4.11 (#SUP 0.66 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat= 799, 887, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 51 TYR HN 56 ILE HN 3.56 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 799, 883, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 51 TYR HN 57 ASN HA 3.96 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 799, 904, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 51 TYR HN 57 ASN QB 5.50 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= 799, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 906, 907,
&end
#
# 51 TYR HN 79 LEU HB2 5.50 (#SUP 0.96 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 799,1222, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 TYR HN 79 LEU QD1 4.09 (#SUP 0.60 #QF 0.60)
&rst
ixpk= 0, nxpk= 0, iat= 799, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1227,1228,1229,
&end
#
# 51 TYR QD 52 GLY HN 4.82 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 807, 816,
&end
#
# 51 TYR QD 56 ILE HN 5.50 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, 883, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 807, 816,
&end
#
# 51 TYR QD 57 ASN HA 4.17 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, 904, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 807, 816,
&end
#
# 51 TYR QD 58 ASP HN 4.10 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 807, 816,
&end
#
# 51 TYR QD 58 ASP QB 4.00 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 807, 816,
igr2= 920, 921,
&end
#
# 51 TYR QD 76 CYX HA 5.50 (#SUP 0.92 #QF 0.31)
&rst
ixpk= 0, nxpk= 0, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 807, 816,
&end
#
# 51 TYR QD 76 CYX HB2 4.41 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= -1,1189, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 807, 816,
&end
#
# 51 TYR QD 76 CYX HB3 4.32 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1,1190, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 807, 816,
&end
#
# 51 TYR QD 77 SER HA 4.78 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat= -1,1197, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 807, 816,
&end
#
# 51 TYR QD 79 LEU HB2 5.28 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1222, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 807, 816,
&end
#
# 51 TYR QD 79 LEU QD1 4.57 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 807, 816,
igr2=1227,1228,1229,
&end
#
# 51 TYR QD 80 LEU HB2 5.37 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= -1,1241, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 807, 816,
&end
#
# 51 TYR QD 80 LEU HB3 5.41 (#SUP 0.57 #QF 0.57)
&rst
ixpk= 0, nxpk= 0, iat= -1,1242, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 807, 816,
&end
#
# 51 TYR QD 80 LEU HG 3.63 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,1244, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 807, 816,
&end
#
# 51 TYR QD 80 LEU QD1 2.86 (#SUP 0.92 #QF 0.41)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1= 807, 816,
igr2=1246,1247,1248,
&end
#
# 51 TYR QD 80 LEU QD2 3.30 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 807, 816,
igr2=1250,1251,1252,
&end
#
# 51 TYR QE 57 ASN HA 4.74 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, 904, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 809, 814,
&end
#
# 51 TYR QE 58 ASP HA 5.17 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, 918, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 809, 814,
&end
#
# 51 TYR QE 58 ASP HN 3.68 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 809, 814,
&end
#
# 51 TYR QE 58 ASP QB 3.29 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 809, 814,
igr2= 920, 921,
&end
#
# 51 TYR QE 76 CYX HB2 4.65 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat= -1,1189, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 809, 814,
&end
#
# 51 TYR QE 76 CYX HB3 4.45 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= -1,1190, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 809, 814,
&end
#
# 51 TYR QE 80 LEU QD1 3.42 (#SUP 0.49 #QF 0.49)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 809, 814,
igr2=1246,1247,1248,
&end
#
# 52 GLY HA2 53 LEU HB2 5.50 (#SUP 0.99 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= 822, 831, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 GLY HA2 53 LEU HB3 5.50 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= 822, 832, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 GLY HA2 53 LEU HN 3.43 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 822, 827, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 52 GLY HA2 54 PHE HN 5.03 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 822, 846, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 52 GLY HA2 55 GLN HA 5.50 (#SUP 0.50 #QF 0.50)
&rst
ixpk= 0, nxpk= 0, iat= 822, 868, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 GLY HA2 55 GLN HN 4.99 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= 822, 866, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 52 GLY HA2 80 LEU HA 4.92 (#SUP 0.97 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= 822,1239, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 52 GLY HA2 80 LEU QD1 5.50 (#SUP 0.47 #QF 0.47)
&rst
ixpk= 0, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1246,1247,1248,
&end
#
# 52 GLY HA2 80 LEU QD2 3.61 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1250,1251,1252,
&end
#
# 52 GLY HN 53 LEU HN 4.76 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 820, 827, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 52 GLY HN 55 GLN HA 4.94 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= 820, 868, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 52 GLY HN 55 GLN QE2 4.16
&rst
ixpk= 0, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 878, 879,
&end
#
# 52 GLY HN 80 LEU HA 4.87 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 820,1239, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 52 GLY HN 80 LEU HG 4.30 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 820,1244, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 52 GLY HN 80 LEU QD1 4.77 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2=1246,1247,1248,
&end
#
# 52 GLY HN 80 LEU QD2 3.10 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2=1250,1251,1252,
&end
#
# 53 LEU HA 53 LEU HG 3.62 (#SUP 0.92 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat= 829, 834, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 53 LEU HA 53 LEU QD1 3.17 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 829, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 836, 837, 838,
&end
#
# 53 LEU HA 53 LEU QD2 4.01 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 829, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 840, 841, 842,
&end
#
# 53 LEU HA 55 GLN HA 5.50 (#SUP 0.87 #QF 0.54)
&rst
ixpk= 0, nxpk= 0, iat= 829, 868, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 LEU HA 55 GLN QE2 3.61
&rst
ixpk= 0, nxpk= 0, iat= 829, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 878, 879,
&end
#
# 53 LEU HB2 53 LEU QD1 3.54 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 836, 837, 838,
&end
#
# 53 LEU HB2 53 LEU QD2 3.44 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 840, 841, 842,
&end
#
# 53 LEU HB2 54 PHE HN 3.85 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 831, 846, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 53 LEU HB2 54 PHE QD 4.56 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 854, 862,
&end
#
# 53 LEU HB2 54 PHE QE 5.02 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 856, 860,
&end
#
# 53 LEU HB2 84 ILE QD1 4.93 (#SUP 0.36 #QF 0.36)
&rst
ixpk= 0, nxpk= 0, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2=1307,1308,1309,
&end
#
# 53 LEU HB2 87 ALA QB 4.86 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1353,1354,1355,
&end
#
# 53 LEU HB3 53 LEU QD1 3.74 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 832, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 836, 837, 838,
&end
#
# 53 LEU HB3 53 LEU QD2 3.14 (#SUP 0.99 #QF 0.62)
&rst
ixpk= 0, nxpk= 0, iat= 832, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 840, 841, 842,
&end
#
# 53 LEU HB3 54 PHE HN 3.44 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 832, 846, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 53 LEU HB3 54 PHE QD 3.90 (#SUP 0.97 #QF 0.32)
&rst
ixpk= 0, nxpk= 0, iat= 832, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 854, 862,
&end
#
# 53 LEU HB3 54 PHE QE 4.88 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 832, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 856, 860,
&end
#
# 53 LEU HB3 55 GLN HN 5.30 (#SUP 0.92 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 832, 866, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 53 LEU HB3 87 ALA QB 4.91 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 832, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=1353,1354,1355,
&end
#
# 53 LEU HN 53 LEU HB2 3.29 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 827, 831, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 53 LEU HN 53 LEU HB3 3.19 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= 827, 832, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 53 LEU HN 53 LEU HG 4.74 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 827, 834, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 53 LEU HN 53 LEU QD1 4.23 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 827, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 836, 837, 838,
&end
#
# 53 LEU HN 53 LEU QD2 4.53 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 827, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 840, 841, 842,
&end
#
# 53 LEU HN 54 PHE HN 3.77 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 827, 846, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 53 LEU HN 54 PHE QD 4.87 (#SUP 0.69 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat= 827, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 854, 862,
&end
#
# 53 LEU HN 55 GLN HN 4.77 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= 827, 866, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 53 LEU HN 87 ALA QB 4.76 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 827, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1353,1354,1355,
&end
#
# 53 LEU QD1 54 PHE HN 4.92 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 836, 837, 838,
&end
#
# 53 LEU QD1 54 PHE QD 5.50 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 836, 837, 838,
igr2= 854, 862,
&end
#
# 53 LEU QD1 54 PHE QE 5.50 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 836, 837, 838,
igr2= 856, 860,
&end
#
# 53 LEU QD1 55 GLN QE2 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 836, 837, 838,
igr2= 878, 879,
&end
#
# 53 LEU QD1 84 ILE HB 5.09 (#SUP 0.60 #QF 0.60)
&rst
ixpk= 0, nxpk= 0, iat= -1,1298, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 836, 837, 838,
&end
#
# 53 LEU QD1 84 ILE QG2 3.64 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 836, 837, 838,
igr2=1300,1301,1302,
&end
#
# 53 LEU QD2 54 PHE HN 4.87 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 840, 841, 842,
&end
#
# 53 LEU QD2 54 PHE QE 4.06 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 840, 841, 842,
igr2= 856, 860,
&end
#
# 53 LEU QD2 87 ALA QB 4.98 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr1= 840, 841, 842,
igr2=1353,1354,1355,
&end
#
# 54 PHE HA 103 TRP HE1 4.80 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 848,1634, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 54 PHE HA 54 PHE QD 3.60 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 854, 862,
&end
#
# 54 PHE HB2 103 TRP HE1 4.33 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 850,1634, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 54 PHE HB2 103 TRP HZ2 4.44 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 850,1637, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 54 PHE HB2 55 GLN HN 4.36 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 850, 866, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 54 PHE HB2 56 ILE HB 5.50 (#SUP 0.98 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= 850, 887, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 54 PHE HB2 56 ILE HG12 3.76 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 850, 893, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 54 PHE HB2 56 ILE HG13 3.61 (#SUP 1.00 #QF 0.97)
&rst
ixpk= 1, nxpk= 0, iat= 850, 894, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 54 PHE HB2 56 ILE HN 4.21 (#SUP 0.37 #QF 0.37)
&rst
ixpk= 0, nxpk= 0, iat= 850, 883, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 54 PHE HB2 56 ILE QD1 3.54 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 850, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 896, 897, 898,
&end
#
# 54 PHE HB2 87 ALA QB 4.49 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 850, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1353,1354,1355,
&end
#
# 54 PHE HB2 91 ALA QB 4.25 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 850, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1405,1406,1407,
&end
#
# 54 PHE HB3 103 TRP HE1 3.77 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 851,1634, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 54 PHE HB3 103 TRP HZ2 3.80 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 851,1637, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 54 PHE HB3 56 ILE HG12 3.98 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 851, 893, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 54 PHE HB3 56 ILE HG13 4.34 (#SUP 1.00 #QF 0.99)
&rst
ixpk= 1, nxpk= 0, iat= 851, 894, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 54 PHE HB3 56 ILE QD1 4.29 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 851, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 896, 897, 898,
&end
#
# 54 PHE HB3 91 ALA HA 5.50 (#SUP 0.87 #QF 0.54)
&rst
ixpk= 0, nxpk= 0, iat= 851,1403, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 54 PHE HB3 91 ALA QB 5.00 (#SUP 0.99 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat= 851, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1405,1406,1407,
&end
#
# 54 PHE HN 54 PHE HB2 3.54 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 846, 850, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 54 PHE HN 54 PHE HB3 3.73 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 846, 851, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 54 PHE HN 54 PHE QD 3.47 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 846, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 854, 862,
&end
#
# 54 PHE HN 54 PHE QE 4.76 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 846, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 856, 860,
&end
#
# 54 PHE HN 55 GLN HN 3.13 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 846, 866, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 54 PHE HN 87 ALA QB 4.30 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= 846, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1353,1354,1355,
&end
#
# 54 PHE HZ 84 ILE QD1 4.26 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 858, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1307,1308,1309,
&end
#
# 54 PHE HZ 87 ALA QB 5.11 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat= 858, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2=1353,1354,1355,
&end
#
# 54 PHE HZ 88 ALA HA 4.36 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 858,1361, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 54 PHE HZ 88 ALA QB 4.21 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 858, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1363,1364,1365,
&end
#
# 54 PHE HZ 91 ALA QB 4.46 (#SUP 0.99 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 858, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=1405,1406,1407,
&end
#
# 54 PHE QD 103 TRP HE1 5.02 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,1634, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 854, 862,
&end
#
# 54 PHE QD 55 GLN HN 4.73 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1, 866, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 854, 862,
&end
#
# 54 PHE QD 56 ILE QD1 3.71 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 854, 862,
igr2= 896, 897, 898,
&end
#
# 54 PHE QD 87 ALA HA 4.86 (#SUP 0.94 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= -1,1351, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 854, 862,
&end
#
# 54 PHE QD 87 ALA QB 3.15 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 854, 862,
igr2=1353,1354,1355,
&end
#
# 54 PHE QD 88 ALA HA 4.75 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 854, 862,
&end
#
# 54 PHE QD 88 ALA HN 5.07 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,1359, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 854, 862,
&end
#
# 54 PHE QD 88 ALA QB 5.13 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 854, 862,
igr2=1363,1364,1365,
&end
#
# 54 PHE QD 91 ALA HA 5.32 (#SUP 0.94 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= -1,1403, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 854, 862,
&end
#
# 54 PHE QD 91 ALA HN 5.22 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 854, 862,
&end
#
# 54 PHE QD 91 ALA QB 3.49 (#SUP 0.89 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 854, 862,
igr2=1405,1406,1407,
&end
#
# 54 PHE QE 103 TRP HH2 5.50 (#SUP 0.88 #QF 0.40)
&rst
ixpk= 0, nxpk= 0, iat= -1,1639, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 856, 860,
&end
#
# 54 PHE QE 56 ILE QD1 4.69 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 856, 860,
igr2= 896, 897, 898,
&end
#
# 54 PHE QE 84 ILE HB 4.36 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,1298, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 856, 860,
&end
#
# 54 PHE QE 84 ILE HG13 5.50 (#SUP 0.92 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= -1,1305, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 856, 860,
&end
#
# 54 PHE QE 84 ILE QD1 3.99 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 856, 860,
igr2=1307,1308,1309,
&end
#
# 54 PHE QE 84 ILE QG2 5.44 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 856, 860,
igr2=1300,1301,1302,
&end
#
# 54 PHE QE 87 ALA QB 3.55 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 856, 860,
igr2=1353,1354,1355,
&end
#
# 54 PHE QE 88 ALA HA 3.59 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 856, 860,
&end
#
# 54 PHE QE 88 ALA HN 4.10 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,1359, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 856, 860,
&end
#
# 54 PHE QE 88 ALA QB 3.82 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 856, 860,
igr2=1363,1364,1365,
&end
#
# 54 PHE QE 91 ALA HN 5.03 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 856, 860,
&end
#
# 54 PHE QE 91 ALA QB 3.48 (#SUP 1.00 #QF 0.94)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 856, 860,
igr2=1405,1406,1407,
&end
#
# 55 GLN HA 55 GLN HE21 4.18 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 868, 878, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 55 GLN HA 55 GLN HE22 4.18 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 868, 879, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 55 GLN HA 55 GLN QE2 3.49
&rst
ixpk= 0, nxpk= 0, iat= 868, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 878, 879,
&end
#
# 55 GLN HA 55 GLN QG 3.68
&rst
ixpk= 0, nxpk= 0, iat= 868, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 873, 874,
&end
#
# 55 GLN HA 56 ILE HB 5.21 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= 868, 887, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 55 GLN HA 56 ILE HG13 4.71 (#SUP 0.57 #QF 0.57)
&rst
ixpk= 0, nxpk= 0, iat= 868, 894, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 55 GLN HA 56 ILE HN 3.28 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 868, 883, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 55 GLN HB2 55 GLN HE21 5.50 (#SUP 0.77 #QF 0.22)
&rst
ixpk= 0, nxpk= 0, iat= 870, 878, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 GLN HB2 55 GLN HE22 5.50 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 870, 879, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 GLN HB2 55 GLN QE2 4.72
&rst
ixpk= 0, nxpk= 0, iat= 870, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 878, 879,
&end
#
# 55 GLN HB2 56 ILE HN 4.94 (#SUP 0.65 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat= 870, 883, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 55 GLN HB3 55 GLN QE2 4.55
&rst
ixpk= 0, nxpk= 0, iat= 871, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 878, 879,
&end
#
# 55 GLN HB3 56 ILE HN 4.77 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= 871, 883, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 55 GLN HN 55 GLN HA 2.90 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 866, 868, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 55 GLN HN 55 GLN HB2 3.57 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 866, 870, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 55 GLN HN 55 GLN HB3 4.16 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 866, 871, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 55 GLN HN 55 GLN HE21 4.04 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 866, 878, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 55 GLN HN 55 GLN HE22 4.04 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 866, 879, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 55 GLN HN 55 GLN QG 4.57
&rst
ixpk= 0, nxpk= 0, iat= 866, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 873, 874,
&end
#
# 55 GLN HN 56 ILE HN 3.75 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 866, 883, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 55 GLN HN 56 ILE QD1 5.50 (#SUP 0.92 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 866, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 896, 897, 898,
&end
#
# 55 GLN QG 55 GLN QE2 3.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1= 873, 874,
igr2= 878, 879,
&end
#
# 56 ILE HA 56 ILE HG12 4.16 (#SUP 0.93 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= 885, 893, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 56 ILE HA 56 ILE QG2 3.33 (#SUP 0.97 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat= 885, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 889, 890, 891,
&end
#
# 56 ILE HA 57 ASN HA 4.93 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 885, 904, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 56 ILE HA 57 ASN HN 3.33 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 885, 902, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 56 ILE HA 57 ASN QB 4.95 (#SUP 0.90 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat= 885, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 906, 907,
&end
#
# 56 ILE HA 94 ILE QD1 4.87 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 885, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1468,1469,1470,
&end
#
# 56 ILE HB 56 ILE QD1 3.19 (#SUP 0.93 #QF 0.48)
&rst
ixpk= 0, nxpk= 0, iat= 887, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 896, 897, 898,
&end
#
# 56 ILE HB 61 TRP HB2 4.74 (#SUP 0.25 #QF 0.25)
&rst
ixpk= 0, nxpk= 0, iat= 887, 977, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 56 ILE HB 61 TRP HB3 5.50 (#SUP 0.89 #QF 0.26)
&rst
ixpk= 0, nxpk= 0, iat= 887, 978, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 ILE HB 62 CYX HB3 4.97 (#SUP 1.00 #QF 0.93)
&rst
ixpk= 1, nxpk= 0, iat= 887,1002, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 56 ILE HB 62 CYX HN 4.61 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat= 887, 997, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 56 ILE HB 76 CYX HA 4.90 (#SUP 0.98 #QF 0.20)
&rst
ixpk= 0, nxpk= 0, iat= 887,1187, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 56 ILE HG12 103 TRP HE1 4.95 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 893,1634, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 56 ILE HG12 103 TRP HZ2 4.85 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 893,1637, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 56 ILE HG12 61 TRP HB3 5.50 (#SUP 0.89 #QF 0.26)
&rst
ixpk= 0, nxpk= 0, iat= 893, 978, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 ILE HG12 61 TRP HD1 4.83 (#SUP 0.46 #QF 0.46)
&rst
ixpk= 0, nxpk= 0, iat= 893, 981, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 56 ILE HG12 94 ILE QD1 3.96 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 893, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1468,1469,1470,
&end
#
# 56 ILE HG13 103 TRP HE1 5.33 (#SUP 0.95 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 894,1634, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 56 ILE HG13 94 ILE QD1 4.77 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2=1468,1469,1470,
&end
#
# 56 ILE HN 56 ILE HB 2.99 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 883, 887, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 56 ILE HN 56 ILE HG12 3.97 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 883, 893, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 56 ILE HN 56 ILE HG13 3.40 (#SUP 0.63 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat= 883, 894, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 56 ILE HN 56 ILE QD1 4.10 (#SUP 0.61 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat= 883, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 896, 897, 898,
&end
#
# 56 ILE HN 57 ASN HN 5.50 (#SUP 0.97 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 883, 902, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 ILE HN 79 LEU QD1 4.88 (#SUP 0.89 #QF 0.48)
&rst
ixpk= 0, nxpk= 0, iat= 883, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=1227,1228,1229,
&end
#
# 56 ILE QD1 103 TRP HE1 5.50 (#SUP 0.95 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= -1,1634, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 896, 897, 898,
&end
#
# 56 ILE QD1 103 TRP HZ2 4.44 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,1637, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 896, 897, 898,
&end
#
# 56 ILE QD1 61 TRP HB2 4.12 (#SUP 0.94 #QF 0.62)
&rst
ixpk= 0, nxpk= 0, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 896, 897, 898,
&end
#
# 56 ILE QD1 79 LEU QD2 3.22 (#SUP 0.72 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 896, 897, 898,
igr2=1231,1232,1233,
&end
#
# 56 ILE QD1 87 ALA HA 3.51 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= -1,1351, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 896, 897, 898,
&end
#
# 56 ILE QD1 87 ALA QB 3.39 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 896, 897, 898,
igr2=1353,1354,1355,
&end
#
# 56 ILE QD1 88 ALA HN 5.50 (#SUP 1.00 #QF 0.99)
&rst
ixpk= 1, nxpk= 0, iat= -1,1359, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 896, 897, 898,
&end
#
# 56 ILE QD1 90 CYX HB2 4.55 (#SUP 0.94 #QF 0.62)
&rst
ixpk= 0, nxpk= 0, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 896, 897, 898,
&end
#
# 56 ILE QD1 90 CYX HB3 3.50 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,1396, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 896, 897, 898,
&end
#
# 56 ILE QD1 90 CYX HN 4.82 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1391, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 896, 897, 898,
&end
#
# 56 ILE QD1 91 ALA HN 3.79 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 896, 897, 898,
&end
#
# 56 ILE QD1 91 ALA QB 3.95 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 896, 897, 898,
igr2=1405,1406,1407,
&end
#
# 56 ILE QD1 94 ILE QD1 2.94 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 896, 897, 898,
igr2=1468,1469,1470,
&end
#
# 56 ILE QD1 94 ILE QG2 5.50 (#SUP 0.41 #QF 0.41)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 896, 897, 898,
igr2=1461,1462,1463,
&end
#
# 56 ILE QG2 56 ILE HG12 3.68 (#SUP 0.98 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1, 893, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 889, 890, 891,
&end
#
# 56 ILE QG2 57 ASN HA 4.67 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1, 904, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 889, 890, 891,
&end
#
# 56 ILE QG2 57 ASN HN 3.94 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 889, 890, 891,
&end
#
# 56 ILE QG2 57 ASN QB 4.76 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1= 889, 890, 891,
igr2= 906, 907,
&end
#
# 56 ILE QG2 58 ASP HN 5.16 (#SUP 0.92 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 889, 890, 891,
&end
#
# 56 ILE QG2 61 TRP HB2 3.32 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr1= 889, 890, 891,
&end
#
# 56 ILE QG2 61 TRP HB3 3.38 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 889, 890, 891,
&end
#
# 56 ILE QG2 61 TRP HD1 4.05 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, 981, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 889, 890, 891,
&end
#
# 56 ILE QG2 61 TRP HE1 5.10 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, 983, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 889, 890, 891,
&end
#
# 56 ILE QG2 61 TRP HE3 5.18 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= -1, 992, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 889, 890, 891,
&end
#
# 56 ILE QG2 61 TRP HN 4.53 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, 973, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 889, 890, 891,
&end
#
# 56 ILE QG2 62 CYX HA 4.35 (#SUP 0.42 #QF 0.42)
&rst
ixpk= 0, nxpk= 0, iat= -1, 999, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 889, 890, 891,
&end
#
# 56 ILE QG2 62 CYX HB2 4.49 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= -1,1001, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 889, 890, 891,
&end
#
# 56 ILE QG2 62 CYX HB3 4.27 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= -1,1002, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 889, 890, 891,
&end
#
# 56 ILE QG2 62 CYX HN 4.20 (#SUP 1.00 #QF 0.99)
&rst
ixpk= 1, nxpk= 0, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 889, 890, 891,
&end
#
# 56 ILE QG2 94 ILE QD1 3.51 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 889, 890, 891,
igr2=1468,1469,1470,
&end
#
# 57 ASN HA 57 ASN HD21 4.78 (#SUP 0.97 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat= 904, 911, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 57 ASN HA 57 ASN HD22 4.78 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 904, 912, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 57 ASN HA 57 ASN QD2 4.07
&rst
ixpk= 1, nxpk= 0, iat= 904, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2= 911, 912,
&end
#
# 57 ASN HA 58 ASP HN 2.88 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 904, 916, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end
#
# 57 ASN HA 58 ASP QB 4.52 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 904, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 920, 921,
&end
#
# 57 ASN HA 59 ARG HN 4.62 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 904, 928, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 57 ASN HN 57 ASN QB 3.57 (#SUP 0.96 #QF 0.64)
&rst
ixpk= 0, nxpk= 0, iat= 902, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 906, 907,
&end
#
# 57 ASN HN 61 TRP HD1 4.03 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 902, 981, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 57 ASN HN 61 TRP HE1 5.12 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= 902, 983, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 57 ASN HN 62 CYX HN 5.50 (#SUP 0.97 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 902, 997, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 ASN HN 94 ILE QD1 5.50 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 902, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1468,1469,1470,
&end
#
# 57 ASN QB 58 ASP HA 5.38 (#SUP 0.99 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1, 918, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 906, 907,
&end
#
# 57 ASN QB 58 ASP HN 3.57 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 906, 907,
&end
#
# 57 ASN QB 59 ARG HN 3.95 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= -1, 928, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 906, 907,
&end
#
# 57 ASN QB 60 TYR QD 4.50 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 906, 907,
igr2= 960, 969,
&end
#
# 57 ASN QB 61 TRP HD1 4.27 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= -1, 981, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 906, 907,
&end
#
# 57 ASN QB 61 TRP HE1 5.44 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1, 983, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 906, 907,
&end
#
# 57 ASN QD2 60 TYR QD 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 911, 912,
igr2= 960, 969,
&end
#
# 58 ASP HA 58 ASP QB 3.02 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr2= 920, 921,
&end
#
# 58 ASP HA 61 TRP HN 4.84 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 918, 973, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 58 ASP HA 62 CYX HN 3.79 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 918, 997, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 58 ASP HN 58 ASP QB 3.40 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 920, 921,
&end
#
# 58 ASP HN 59 ARG HN 3.48 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 916, 928, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 58 ASP HN 59 ARG QB 4.88
&rst
ixpk= 0, nxpk= 0, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 932, 933,
&end
#
# 58 ASP HN 76 CYX HB3 5.50 (#SUP 0.92 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= 916,1190, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 ASP QB 59 ARG HN 5.10 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1, 928, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 920, 921,
&end
#
# 58 ASP QB 62 CYX HN 5.50 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 920, 921,
&end
#
# 58 ASP QB 63 SER HN 4.98 (#SUP 0.63 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat= -1,1007, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 920, 921,
&end
#
# 58 ASP QB 64 LYS HA 5.09 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 920, 921,
&end
#
# 58 ASP QB 64 LYS HG2 4.68 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1025, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 920, 921,
&end
#
# 58 ASP QB 64 LYS HG3 4.68 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1026, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 920, 921,
&end
#
# 58 ASP QB 64 LYS HN 4.46 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1018, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 920, 921,
&end
#
# 58 ASP QB 64 LYS QB 4.01 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 920, 921,
igr2=1022,1023,
&end
#
# 58 ASP QB 64 LYS QD 4.72 (#SUP 0.57 #QF 0.57)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 920, 921,
igr2=1028,1029,
&end
#
# 58 ASP QB 64 LYS QE 5.50 (#SUP 0.75 #QF 0.56)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 920, 921,
igr2=1031,1032,
&end
#
# 58 ASP QB 64 LYS QG 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 920, 921,
igr2=1025,1026,
&end
#
# 58 ASP QB 76 CYX HB3 4.58 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat= -1,1190, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 920, 921,
&end
#
# 59 ARG HA 59 ARG HE 4.80 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= 930, 941, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 59 ARG HA 59 ARG HG2 3.98 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 930, 935, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 59 ARG HA 59 ARG HG3 3.98 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 930, 936, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 59 ARG HA 59 ARG QD 4.18 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2= 938, 939,
&end
#
# 59 ARG HA 59 ARG QG 3.30
&rst
ixpk= 0, nxpk= 0, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 935, 936,
&end
#
# 59 ARG HB2 60 TYR HN 4.16 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 932, 952, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 59 ARG HB3 60 TYR HN 4.16 (#SUP 1.00 #QF 0.43)
&rst
ixpk= 1, nxpk= 0, iat= 933, 952, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 59 ARG HG2 60 TYR QD 4.99 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 935, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 960, 969,
&end
#
# 59 ARG HG3 60 TYR QD 4.99 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 936, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 960, 969,
&end
#
# 59 ARG HN 59 ARG HB2 3.32 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 928, 932, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 59 ARG HN 59 ARG HB3 3.32 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 928, 933, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 59 ARG HN 59 ARG QD 4.91 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 938, 939,
&end
#
# 59 ARG HN 60 TYR HB2 5.07 (#SUP 0.99 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat= 928, 956, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 59 ARG HN 60 TYR HN 3.33 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 928, 952, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 59 ARG HN 60 TYR QD 5.36 (#SUP 0.99 #QF 0.47)
&rst
ixpk= 0, nxpk= 0, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 960, 969,
&end
#
# 59 ARG HN 61 TRP HN 4.53 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= 928, 973, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 59 ARG QB 59 ARG HE 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 941, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 932, 933,
&end
#
# 59 ARG QB 60 TYR QD 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 932, 933,
igr2= 960, 969,
&end
#
# 59 ARG QB 60 TYR QE 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 932, 933,
igr2= 962, 967,
&end
#
# 59 ARG QD 60 TYR QD 4.68 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 938, 939,
igr2= 960, 969,
&end
#
# 59 ARG QD 60 TYR QE 3.60 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 938, 939,
igr2= 962, 967,
&end
#
# 59 ARG QG 60 TYR QD 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 935, 936,
igr2= 960, 969,
&end
#
# 59 ARG QG 60 TYR QE 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 935, 936,
igr2= 962, 967,
&end
#
# 60 TYR HA 60 TYR QD 3.38 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 954, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 960, 969,
&end
#
# 60 TYR HB2 61 TRP HE1 4.62 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat= 956, 983, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 60 TYR HB2 61 TRP HN 4.64 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 956, 973, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 60 TYR HB3 61 TRP HB3 5.41 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 957, 978, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 60 TYR HB3 61 TRP HD1 4.45 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 957, 981, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 60 TYR HB3 61 TRP HE1 3.94 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 957, 983, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 60 TYR HB3 61 TRP HN 3.92 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 957, 973, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 60 TYR HB3 61 TRP HZ2 5.50 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= 957, 986, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 TYR HN 60 TYR HB2 4.08 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 952, 956, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 60 TYR HN 60 TYR HB3 3.88 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 952, 957, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 60 TYR HN 60 TYR QD 3.95 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 952, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 960, 969,
&end
#
# 60 TYR HN 61 TRP HD1 4.86 (#SUP 0.50 #QF 0.50)
&rst
ixpk= 0, nxpk= 0, iat= 952, 981, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 60 TYR HN 61 TRP HN 3.16 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat= 952, 973, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 60 TYR QD 61 TRP HD1 4.49 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1, 981, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 960, 969,
&end
#
# 60 TYR QD 61 TRP HE1 4.01 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, 983, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 960, 969,
&end
#
# 61 TRP HB2 62 CYX HN 4.08 (#SUP 0.59 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat= 977, 997, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 61 TRP HB2 94 ILE QD1 4.33 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 977, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1468,1469,1470,
&end
#
# 61 TRP HB3 61 TRP HE3 3.86 (#SUP 1.00 #QF 0.93)
&rst
ixpk= 1, nxpk= 0, iat= 978, 992, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 61 TRP HB3 62 CYX HN 4.08 (#SUP 0.67 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat= 978, 997, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 61 TRP HB3 72 CYX HN 4.88 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 978,1123, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 61 TRP HB3 72 CYX QB 4.29 (#SUP 0.47 #QF 0.47)
&rst
ixpk= 0, nxpk= 0, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1127,1128,
&end
#
# 61 TRP HB3 94 ILE HG12 5.11 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat= 978,1465, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 61 TRP HB3 94 ILE QD1 4.25 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1468,1469,1470,
&end
#
# 61 TRP HD1 94 ILE QD1 4.10 (#SUP 0.64 #QF 0.64)
&rst
ixpk= 0, nxpk= 0, iat= 981, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1468,1469,1470,
&end
#
# 61 TRP HE1 94 ILE QD1 4.84 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 983, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=1468,1469,1470,
&end
#
# 61 TRP HE1 94 ILE QG2 4.19 (#SUP 0.25 #QF 0.25)
&rst
ixpk= 0, nxpk= 0, iat= 983, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1461,1462,1463,
&end
#
# 61 TRP HE3 71 ASP QB 3.58
&rst
ixpk= 0, nxpk= 0, iat= 992, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1115,1116,
&end
#
# 61 TRP HE3 72 CYX HN 4.29 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 992,1123, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 61 TRP HH2 94 ILE HA 4.35 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 988,1457, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 61 TRP HH2 94 ILE QG2 4.75 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 988, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1461,1462,1463,
&end
#
# 61 TRP HH2 97 ARG HB2 4.60 (#SUP 0.30 #QF 0.30)
&rst
ixpk= 0, nxpk= 0, iat= 988,1521, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 61 TRP HH2 97 ARG HB3 5.50 (#SUP 0.70 #QF 0.28)
&rst
ixpk= 0, nxpk= 0, iat= 988,1522, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 TRP HH2 97 ARG QG 5.34
&rst
ixpk= 0, nxpk= 0, iat= 988, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1524,1525,
&end
#
# 61 TRP HN 61 TRP HB2 3.72 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 973, 977, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 61 TRP HN 61 TRP HB3 3.95 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 973, 978, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 61 TRP HN 61 TRP HD1 4.05 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 973, 981, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 61 TRP HN 62 CYX HN 3.70 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat= 973, 997, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 61 TRP HZ2 102 ALA HA 5.50 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat= 986,1616, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 TRP HZ2 102 ALA QB 5.00 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat= 986, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1618,1619,1620,
&end
#
# 61 TRP HZ2 94 ILE HA 5.04 (#SUP 1.00 #QF 0.95)
&rst
ixpk= 1, nxpk= 0, iat= 986,1457, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 61 TRP HZ2 94 ILE HG12 4.92 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 986,1465, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 61 TRP HZ2 94 ILE QG2 4.05 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= 986, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1461,1462,1463,
&end
#
# 61 TRP HZ2 98 HIS HD2 5.03 (#SUP 0.96 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat= 986,1554, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 61 TRP HZ3 71 ASP QB 3.94
&rst
ixpk= 0, nxpk= 0, iat= 990, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1115,1116,
&end
#
# 61 TRP HZ3 93 LYS QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 990, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1437,1438,
&end
#
# 61 TRP HZ3 93 LYS QD 5.07
&rst
ixpk= 0, nxpk= 0, iat= 990, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1443,1444,
&end
#
# 61 TRP HZ3 93 LYS QG 4.35
&rst
ixpk= 0, nxpk= 0, iat= 990, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1440,1441,
&end
#
# 62 CYX HA 63 SER HB2 4.93 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 999,1011, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 62 CYX HA 63 SER HB3 5.19 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 999,1012, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 62 CYX HA 63 SER HN 2.92 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 999,1007, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 62 CYX HA 69 GLY HN 5.06 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 999,1082, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 62 CYX HA 70 LYS QB 3.57
&rst
ixpk= 0, nxpk= 0, iat= 999, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1093,1094,
&end
#
# 62 CYX HA 70 LYS QG 4.76
&rst
ixpk= 0, nxpk= 0, iat= 999, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1096,1097,
&end
#
# 62 CYX HA 74 VAL HN 3.90 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 999,1147, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 62 CYX HA 74 VAL QG1 3.52 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 999, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=1153,1154,1155,
&end
#
# 62 CYX HA 74 VAL QG2 4.79 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 999, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=1157,1158,1159,
&end
#
# 62 CYX HA 76 CYX HA 5.26 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 999,1187, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 62 CYX HA 76 CYX HN 4.65 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 999,1185, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 62 CYX HA 79 LEU QD1 4.88 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 999, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=1227,1228,1229,
&end
#
# 62 CYX HB2 63 SER HB3 5.07 (#SUP 0.74 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat=1001,1012, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 62 CYX HB2 63 SER HN 3.36 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1001,1007, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 62 CYX HB2 74 VAL HN 5.50 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1001,1147, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 CYX HB2 74 VAL QG1 3.74 (#SUP 0.57 #QF 0.39)
&rst
ixpk= 0, nxpk= 0, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1153,1154,1155,
&end
#
# 62 CYX HB2 74 VAL QG2 4.36 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=1157,1158,1159,
&end
#
# 62 CYX HB2 76 CYX HA 3.40 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1001,1187, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 62 CYX HB2 76 CYX HB3 4.86 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1001,1190, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 62 CYX HB2 76 CYX HN 3.77 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1001,1185, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 62 CYX HB2 79 LEU HG 4.51 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1001,1225, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 62 CYX HB2 79 LEU QD1 3.64 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1227,1228,1229,
&end
#
# 62 CYX HB3 63 SER HN 3.71 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1002,1007, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 62 CYX HB3 74 VAL QG1 3.44 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1002, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1153,1154,1155,
&end
#
# 62 CYX HB3 74 VAL QG2 4.29 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1002, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1157,1158,1159,
&end
#
# 62 CYX HB3 76 CYX HA 3.80 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1002,1187, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 62 CYX HB3 76 CYX HN 4.38 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1002,1185, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 62 CYX HB3 79 LEU HG 5.07 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat=1002,1225, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 62 CYX HB3 79 LEU QD1 3.51 (#SUP 0.96 #QF 0.34)
&rst
ixpk= 0, nxpk= 0, iat=1002, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=1227,1228,1229,
&end
#
# 62 CYX HN 70 LYS QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 997, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1093,1094,
&end
#
# 62 CYX HN 70 LYS QD 5.13 (#SUP 0.58 #QF 0.58)
&rst
ixpk= 0, nxpk= 0, iat= 997, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1099,1100,
&end
#
# 62 CYX HN 70 LYS QG 5.34
&rst
ixpk= 0, nxpk= 0, iat= 997, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1096,1097,
&end
#
# 63 SER HB2 64 LYS HN 4.25 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1011,1018, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 63 SER HB2 65 GLY HN 5.00 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat=1011,1040, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 63 SER HB2 69 GLY HA2 5.12 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1011,1084, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 63 SER HB2 69 GLY HA3 4.50 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1011,1085, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 63 SER HB2 69 GLY HN 3.67 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1011,1082, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 63 SER HB2 70 LYS HG2 4.33 (#SUP 0.89 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat=1011,1096, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 63 SER HB2 70 LYS HG3 4.33 (#SUP 0.47 #QF 0.47)
&rst
ixpk= 0, nxpk= 0, iat=1011,1097, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 63 SER HB2 70 LYS HN 4.94 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1011,1089, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 63 SER HB2 70 LYS QB 4.86
&rst
ixpk= 0, nxpk= 0, iat=1011, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=1093,1094,
&end
#
# 63 SER HB2 74 VAL HN 5.50 (#SUP 1.00 #QF 0.97)
&rst
ixpk= 1, nxpk= 0, iat=1011,1147, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 SER HB2 75 LYS HB2 5.50 (#SUP 0.67 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat=1011,1167, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 SER HB2 76 CYX HN 5.33 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1011,1185, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 63 SER HB3 64 LYS HN 4.45 (#SUP 0.95 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1012,1018, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 63 SER HB3 69 GLY HN 4.16 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1012,1082, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 63 SER HB3 76 CYX HN 4.72 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat=1012,1185, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 63 SER HN 63 SER HB2 3.41 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1007,1011, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 63 SER HN 63 SER HB3 3.11 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=1007,1012, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 63 SER HN 64 LYS HA 5.29 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat=1007,1020, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 63 SER HN 64 LYS HN 4.64 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1007,1018, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 63 SER HN 69 GLY HN 4.52 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1007,1082, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 63 SER HN 70 LYS QB 4.36
&rst
ixpk= 0, nxpk= 0, iat=1007, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1093,1094,
&end
#
# 63 SER HN 70 LYS QD 5.50 (#SUP 0.99 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat=1007, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1099,1100,
&end
#
# 63 SER HN 70 LYS QG 4.25
&rst
ixpk= 0, nxpk= 0, iat=1007, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1096,1097,
&end
#
# 63 SER HN 74 VAL HN 4.46 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1007,1147, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 63 SER HN 74 VAL QG1 4.29 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1007, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1153,1154,1155,
&end
#
# 63 SER HN 74 VAL QG2 5.21 (#SUP 0.86 #QF 0.60)
&rst
ixpk= 0, nxpk= 0, iat=1007, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2=1157,1158,1159,
&end
#
# 63 SER HN 75 LYS HB2 5.05 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat=1007,1167, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 63 SER HN 75 LYS HG2 5.50 (#SUP 0.86 #QF 0.60)
&rst
ixpk= 0, nxpk= 0, iat=1007,1170, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 SER HN 75 LYS HG3 5.35 (#SUP 0.90 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat=1007,1171, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 63 SER HN 76 CYX HA 5.06 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat=1007,1187, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 63 SER HN 76 CYX HN 3.81 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1007,1185, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 63 SER HN 79 LEU QD1 5.50 (#SUP 0.65 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat=1007, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1227,1228,1229,
&end
#
# 64 LYS HA 64 LYS HG2 4.24 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1020,1025, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 64 LYS HA 64 LYS HG3 4.24 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1020,1026, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 64 LYS HA 64 LYS QB 2.89 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1020, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2=1022,1023,
&end
#
# 64 LYS HA 64 LYS QD 4.68 (#SUP 0.82 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat=1020, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1028,1029,
&end
#
# 64 LYS HA 64 LYS QE 5.38 (#SUP 0.71 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat=1020, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=1031,1032,
&end
#
# 64 LYS HA 64 LYS QG 3.59
&rst
ixpk= 0, nxpk= 0, iat=1020, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2=1025,1026,
&end
#
# 64 LYS HA 76 CYX HB2 3.99 (#SUP 0.67 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat=1020,1189, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 64 LYS HA 76 CYX HB3 4.97 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1020,1190, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 64 LYS HA 76 CYX HN 4.57 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat=1020,1185, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 64 LYS HG2 64 LYS QE 3.86 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1025, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2=1031,1032,
&end
#
# 64 LYS HG2 65 GLY HN 4.22 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat=1025,1040, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 64 LYS HG3 64 LYS QE 3.86 (#SUP 0.83 #QF 0.53)
&rst
ixpk= 0, nxpk= 0, iat=1026, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2=1031,1032,
&end
#
# 64 LYS HG3 65 GLY HN 4.22 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1026,1040, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 64 LYS HN 64 LYS HG2 4.06 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1018,1025, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 64 LYS HN 64 LYS HG3 4.06 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1018,1026, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 64 LYS HN 64 LYS QB 3.27 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2=1022,1023,
&end
#
# 64 LYS HN 64 LYS QD 4.56 (#SUP 0.65 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1028,1029,
&end
#
# 64 LYS HN 64 LYS QE 4.77 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2=1031,1032,
&end
#
# 64 LYS HN 64 LYS QG 3.32
&rst
ixpk= 0, nxpk= 0, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2=1025,1026,
&end
#
# 64 LYS HN 65 GLY HN 3.28 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1018,1040, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 64 LYS HN 70 LYS QG 5.34
&rst
ixpk= 0, nxpk= 0, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1096,1097,
&end
#
# 64 LYS HN 75 LYS HG3 5.50 (#SUP 0.59 #QF 0.43)
&rst
ixpk= 0, nxpk= 0, iat=1018,1171, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 LYS QB 64 LYS QE 3.71 (#SUP 0.77 #QF 0.49)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=1022,1023,
igr2=1031,1032,
&end
#
# 64 LYS QB 65 GLY HN 3.83 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,1040, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1022,1023,
&end
#
# 64 LYS QB 65 GLY QA 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1=1022,1023,
igr2=1042,1043,
&end
#
# 64 LYS QD 64 LYS QE 2.64 (#SUP 0.86 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr1=1028,1029,
igr2=1031,1032,
&end
#
# 64 LYS QD 65 GLY HA2 5.45 (#SUP 0.82 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat= -1,1042, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1028,1029,
&end
#
# 64 LYS QD 65 GLY HA3 5.45 (#SUP 0.97 #QF 0.32)
&rst
ixpk= 0, nxpk= 0, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1028,1029,
&end
#
# 64 LYS QD 65 GLY QA 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=1028,1029,
igr2=1042,1043,
&end
#
# 64 LYS QE 65 GLY QA 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1031,1032,
igr2=1042,1043,
&end
#
# 64 LYS QG 64 LYS QE 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1=1025,1026,
igr2=1031,1032,
&end
#
# 64 LYS QG 65 GLY QA 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1025,1026,
igr2=1042,1043,
&end
#
# 65 GLY HA2 66 ALA HN 3.01 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat=1042,1047, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 65 GLY HA2 67 SER HN 4.34 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat=1042,1057, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 65 GLY HA3 66 ALA HN 3.01 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat=1043,1047, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 65 GLY HA3 67 SER HN 4.34 (#SUP 1.00 #QF 0.68)
&rst
ixpk= 1, nxpk= 0, iat=1043,1057, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 65 GLY HN 65 GLY QA 2.58
&rst
ixpk= 1, nxpk= 0, iat=1040, -1, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,
igr2=1042,1043,
&end
#
# 65 GLY QA 66 ALA HN 2.58
&rst
ixpk= 1, nxpk= 0, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,
igr1=1042,1043,
&end
#
# 65 GLY QA 66 ALA QB 4.31
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1042,1043,
igr2=1051,1052,1053,
&end
#
# 65 GLY QA 67 SER HN 3.79
&rst
ixpk= 1, nxpk= 0, iat= -1,1057, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=1042,1043,
&end
#
# 66 ALA HA 75 LYS QD 4.09
&rst
ixpk= 1, nxpk= 0, iat=1049, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1173,1174,
&end
#
# 66 ALA HA 75 LYS QE 3.83
&rst
ixpk= 1, nxpk= 0, iat=1049, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1176,1177,
&end
#
# 66 ALA HN 66 ALA QB 2.76 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1047, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr2=1051,1052,1053,
&end
#
# 66 ALA HN 67 SER HN 3.06 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1047,1057, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 66 ALA HN 67 SER QB 4.90
&rst
ixpk= 0, nxpk= 0, iat=1047, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1061,1062,
&end
#
# 66 ALA QB 67 SER HA 4.68 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=1051,1052,1053,
&end
#
# 66 ALA QB 67 SER HB2 5.23 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,1061, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1=1051,1052,1053,
&end
#
# 66 ALA QB 67 SER HB3 5.23 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1,1062, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1=1051,1052,1053,
&end
#
# 66 ALA QB 67 SER HN 3.63 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1057, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1=1051,1052,1053,
&end
#
# 66 ALA QB 67 SER QB 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=1051,1052,1053,
igr2=1061,1062,
&end
#
# 66 ALA QB 75 LYS QE 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1=1051,1052,1053,
igr2=1176,1177,
&end
#
# 67 SER HA 68 PRO HD2 3.02 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1059,1069, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 67 SER HA 68 PRO HD3 3.08 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1059,1070, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 67 SER HA 68 PRO QG 4.56 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1059, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1072,1073,
&end
#
# 67 SER HA 75 LYS QD 4.33
&rst
ixpk= 0, nxpk= 0, iat=1059, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1173,1174,
&end
#
# 67 SER HN 67 SER HB2 3.96 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1057,1061, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 67 SER HN 67 SER HB3 3.96 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1057,1062, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 67 SER HN 67 SER QB 3.17
&rst
ixpk= 0, nxpk= 0, iat=1057, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2=1061,1062,
&end
#
# 67 SER HN 68 PRO HD2 5.16 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1057,1069, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 67 SER HN 75 LYS HD2 5.05 (#SUP 0.99 #QF 0.31)
&rst
ixpk= 0, nxpk= 0, iat=1057,1173, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 67 SER HN 75 LYS HD3 5.05 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat=1057,1174, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 67 SER HN 75 LYS HG2 5.17 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1057,1170, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 67 SER HN 75 LYS QD 4.19
&rst
ixpk= 0, nxpk= 0, iat=1057, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1173,1174,
&end
#
# 67 SER HN 75 LYS QE 5.10
&rst
ixpk= 0, nxpk= 0, iat=1057, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1176,1177,
&end
#
# 67 SER QB 68 PRO QG 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1061,1062,
igr2=1072,1073,
&end
#
# 68 PRO HA 69 GLY HN 2.85 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1078,1082, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, &end
#
# 68 PRO HA 74 VAL HN 4.75 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1078,1147, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 68 PRO HA 75 LYS HB2 3.54 (#SUP 0.85 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat=1078,1167, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 68 PRO HA 75 LYS HB3 4.98 (#SUP 0.73 #QF 0.43)
&rst
ixpk= 0, nxpk= 0, iat=1078,1168, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 68 PRO HA 75 LYS HG3 3.42 (#SUP 0.46 #QF 0.46)
&rst
ixpk= 0, nxpk= 0, iat=1078,1171, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 68 PRO HA 75 LYS HN 4.28 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1078,1163, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 68 PRO HA 75 LYS QD 5.07
&rst
ixpk= 0, nxpk= 0, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1173,1174,
&end
#
# 68 PRO HB2 69 GLY HN 3.82 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat=1075,1082, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 68 PRO HB3 69 GLY HN 3.87 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1076,1082, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 68 PRO HB3 74 VAL HN 4.47 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1076,1147, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 68 PRO HB3 75 LYS HB2 2.54 (#SUP 0.38 #QF 0.38)
&rst
ixpk= 0, nxpk= 0, iat=1076,1167, r1= 1.30, r2= 1.80, r3= 2.54, r4= 3.04, &end
#
# 68 PRO HB3 75 LYS HN 4.20 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat=1076,1163, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 68 PRO HD2 75 LYS QD 4.74
&rst
ixpk= 0, nxpk= 0, iat=1069, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1173,1174,
&end
#
# 68 PRO HD3 75 LYS HG3 4.66 (#SUP 0.72 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat=1070,1171, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 68 PRO HD3 75 LYS HN 5.03 (#SUP 0.99 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1070,1163, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 69 GLY HA2 70 LYS HN 3.13 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1084,1089, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 69 GLY HA2 73 ASN HA 3.62 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1084,1135, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 69 GLY HA2 73 ASN HN 5.11 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1084,1133, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 69 GLY HA2 73 ASN QB 5.34
&rst
ixpk= 0, nxpk= 0, iat=1084, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1137,1138,
&end
#
# 69 GLY HA2 74 VAL HN 5.29 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1084,1147, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 69 GLY HN 70 LYS HN 3.84 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat=1082,1089, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 69 GLY HN 70 LYS QG 4.77
&rst
ixpk= 0, nxpk= 0, iat=1082, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2=1096,1097,
&end
#
# 69 GLY HN 73 ASN HA 3.95 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1082,1135, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 69 GLY HN 73 ASN HN 4.62 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1082,1133, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 69 GLY HN 74 VAL HN 3.53 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1082,1147, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 69 GLY HN 74 VAL QG1 5.24 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1082, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=1153,1154,1155,
&end
#
# 69 GLY HN 75 LYS HN 5.44 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1082,1163, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 70 LYS HA 70 LYS HG2 3.87 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1091,1096, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 70 LYS HA 70 LYS HG3 3.87 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat=1091,1097, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 70 LYS HA 70 LYS QD 3.57 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat=1091, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1099,1100,
&end
#
# 70 LYS HA 70 LYS QE 4.84
&rst
ixpk= 0, nxpk= 0, iat=1091, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1102,1103,
&end
#
# 70 LYS HA 70 LYS QG 3.15
&rst
ixpk= 0, nxpk= 0, iat=1091, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2=1096,1097,
&end
#
# 70 LYS HA 72 CYX HN 4.98 (#SUP 0.98 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat=1091,1123, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 70 LYS HB2 71 ASP HN 3.77 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1093,1111, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 70 LYS HB2 73 ASN HN 4.92 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat=1093,1133, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 70 LYS HB3 71 ASP HN 3.77 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1094,1111, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 70 LYS HB3 73 ASN HN 4.92 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat=1094,1133, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 70 LYS HG2 71 ASP HN 4.64 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1096,1111, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 70 LYS HG3 71 ASP HN 4.64 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1097,1111, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 70 LYS HN 70 LYS HB2 4.15 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1089,1093, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 70 LYS HN 70 LYS HB3 4.15 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat=1089,1094, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 70 LYS HN 70 LYS QB 3.61
&rst
ixpk= 0, nxpk= 0, iat=1089, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=1093,1094,
&end
#
# 70 LYS HN 70 LYS QD 5.50 (#SUP 0.99 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat=1089, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1099,1100,
&end
#
# 70 LYS HN 70 LYS QG 4.05
&rst
ixpk= 0, nxpk= 0, iat=1089, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1096,1097,
&end
#
# 70 LYS HN 71 ASP HN 4.85 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1089,1111, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 70 LYS HN 73 ASN HA 2.75 (#SUP 0.57 #QF 0.57)
&rst
ixpk= 0, nxpk= 0, iat=1089,1135, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25, &end
#
# 70 LYS HN 73 ASN HN 4.40 (#SUP 0.50 #QF 0.50)
&rst
ixpk= 0, nxpk= 0, iat=1089,1133, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 70 LYS HN 74 VAL HN 4.30 (#SUP 0.78 #QF 0.40)
&rst
ixpk= 0, nxpk= 0, iat=1089,1147, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 70 LYS QB 70 LYS QD 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1093,1094,
igr2=1099,1100,
&end
#
# 70 LYS QB 71 ASP HN 2.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1111, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr1=1093,1094,
&end
#
# 70 LYS QB 73 ASN HN 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1133, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1093,1094,
&end
#
# 70 LYS QB 74 VAL HN 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1147, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1093,1094,
&end
#
# 70 LYS QD 71 ASP HN 4.57 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= -1,1111, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=1099,1100,
&end
#
# 70 LYS QG 70 LYS QE 3.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
igr1=1096,1097,
igr2=1102,1103,
&end
#
# 70 LYS QG 71 ASP HN 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1111, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1096,1097,
&end
#
# 71 ASP HB2 72 CYX HN 4.97 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1115,1123, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 71 ASP HB3 72 CYX HN 4.97 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat=1116,1123, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 71 ASP HN 71 ASP HB2 3.73 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat=1111,1115, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 71 ASP HN 71 ASP HB3 3.73 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1111,1116, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 71 ASP HN 71 ASP QB 3.20
&rst
ixpk= 0, nxpk= 0, iat=1111, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1115,1116,
&end
#
# 71 ASP HN 72 CYX HN 4.13 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1111,1123, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 71 ASP QB 72 CYX HN 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1115,1116,
&end
#
# 72 CYX HA 90 CYX HB2 5.10 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1125,1395, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 72 CYX HN 72 CYX QB 3.06 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1123, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2=1127,1128,
&end
#
# 72 CYX HN 73 ASN HA 4.72 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1123,1135, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 72 CYX HN 73 ASN HN 3.11 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1123,1133, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 72 CYX HN 74 VAL HN 4.71 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1123,1147, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 72 CYX HN 74 VAL QG1 4.34 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1123, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1153,1154,1155,
&end
#
# 72 CYX QB 73 ASN HN 3.92 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,1133, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1127,1128,
&end
#
# 72 CYX QB 74 VAL HB 4.14 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=1127,1128,
&end
#
# 72 CYX QB 74 VAL HN 4.20 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1,1147, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1127,1128,
&end
#
# 72 CYX QB 74 VAL QG1 3.03 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1=1127,1128,
igr2=1153,1154,1155,
&end
#
# 72 CYX QB 74 VAL QG2 4.46 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1=1127,1128,
igr2=1157,1158,1159,
&end
#
# 72 CYX QB 90 CYX HB2 3.55 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1=1127,1128,
&end
#
# 72 CYX QB 90 CYX HB3 4.02 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1396, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1=1127,1128,
&end
#
# 72 CYX QB 90 CYX HN 4.96 (#SUP 0.98 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat= -1,1391, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1127,1128,
&end
#
# 73 ASN HA 74 VAL HN 3.03 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat=1135,1147, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 73 ASN HA 74 VAL QG1 4.42 (#SUP 0.59 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1153,1154,1155,
&end
#
# 73 ASN HB2 74 VAL HN 4.81 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1137,1147, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 73 ASN HB3 74 VAL HN 4.81 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1138,1147, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 73 ASN HN 73 ASN HA 2.73 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1133,1135, r1= 1.30, r2= 1.80, r3= 2.73, r4= 3.23, &end
#
# 73 ASN HN 73 ASN HB2 4.20 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1133,1137, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 73 ASN HN 73 ASN HB3 4.20 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1133,1138, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 73 ASN HN 73 ASN QB 3.62
&rst
ixpk= 0, nxpk= 0, iat=1133, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=1137,1138,
&end
#
# 73 ASN HN 74 VAL HN 3.47 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1133,1147, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 73 ASN HN 74 VAL QG1 5.04 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat=1133, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1153,1154,1155,
&end
#
# 73 ASN QB 73 ASN QD2 2.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1=1137,1138,
igr2=1142,1143,
&end
#
# 73 ASN QB 74 VAL HN 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1147, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=1137,1138,
&end
#
# 74 VAL HN 74 VAL HB 3.60 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat=1147,1151, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 74 VAL HN 74 VAL QG1 3.21 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1147, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2=1153,1154,1155,
&end
#
# 74 VAL HN 74 VAL QG2 3.99 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1147, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1157,1158,1159,
&end
#
# 74 VAL HN 75 LYS HN 4.62 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1147,1163, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 74 VAL QG1 75 LYS HN 4.20 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1,1163, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1153,1154,1155,
&end
#
# 74 VAL QG1 78 ASP HB2 5.45 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1=1153,1154,1155,
&end
#
# 74 VAL QG1 90 CYX HB2 4.05 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1153,1154,1155,
&end
#
# 74 VAL QG1 90 CYX HB3 3.92 (#SUP 0.57 #QF 0.39)
&rst
ixpk= 0, nxpk= 0, iat= -1,1396, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1153,1154,1155,
&end
#
# 74 VAL QG2 75 LYS HB3 4.45 (#SUP 0.85 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat= -1,1168, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1157,1158,1159,
&end
#
# 74 VAL QG2 75 LYS HN 2.99 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1,1163, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1157,1158,1159,
&end
#
# 74 VAL QG2 78 ASP HB2 3.44 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1=1157,1158,1159,
&end
#
# 74 VAL QG2 78 ASP HB3 3.90 (#SUP 0.60 #QF 0.23)
&rst
ixpk= 0, nxpk= 0, iat= -1,1211, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=1157,1158,1159,
&end
#
# 74 VAL QG2 78 ASP HN 4.63 (#SUP 0.89 #QF 0.48)
&rst
ixpk= 0, nxpk= 0, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1157,1158,1159,
&end
#
# 74 VAL QG2 79 LEU HN 4.56 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,1218, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=1157,1158,1159,
&end
#
# 74 VAL QG2 86 LYS HG2 4.86 (#SUP 0.36 #QF 0.36)
&rst
ixpk= 0, nxpk= 0, iat= -1,1334, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1157,1158,1159,
&end
#
# 74 VAL QG2 86 LYS HG3 4.86 (#SUP 0.85 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat= -1,1335, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1157,1158,1159,
&end
#
# 74 VAL QG2 86 LYS QD 4.59 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1=1157,1158,1159,
igr2=1337,1338,
&end
#
# 74 VAL QG2 90 CYX HB2 4.67 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1157,1158,1159,
&end
#
# 75 LYS HB2 77 SER HN 4.99 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1167,1195, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 75 LYS HB2 78 ASP HN 4.49 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1167,1206, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 75 LYS HB3 75 LYS QE 3.87
&rst
ixpk= 0, nxpk= 0, iat=1168, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1176,1177,
&end
#
# 75 LYS HB3 76 CYX HN 4.22 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat=1168,1185, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 75 LYS HB3 77 SER HN 3.76 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1168,1195, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 75 LYS HB3 77 SER QB 5.34
&rst
ixpk= 0, nxpk= 0, iat=1168, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1199,1200,
&end
#
# 75 LYS HB3 78 ASP HN 3.58 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1168,1206, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 75 LYS HG2 75 LYS QE 3.56
&rst
ixpk= 0, nxpk= 0, iat=1170, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1176,1177,
&end
#
# 75 LYS HG2 76 CYX HN 4.01 (#SUP 0.63 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat=1170,1185, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 75 LYS HG2 77 SER QB 3.72
&rst
ixpk= 0, nxpk= 0, iat=1170, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=1199,1200,
&end
#
# 75 LYS HG2 78 ASP HN 4.82 (#SUP 0.89 #QF 0.48)
&rst
ixpk= 0, nxpk= 0, iat=1170,1206, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 75 LYS HG3 76 CYX HN 3.88 (#SUP 0.51 #QF 0.51)
&rst
ixpk= 0, nxpk= 0, iat=1171,1185, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 75 LYS HN 75 LYS HB2 3.20 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat=1163,1167, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 75 LYS HN 75 LYS HB3 3.21 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1163,1168, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 75 LYS HN 75 LYS QD 5.34
&rst
ixpk= 0, nxpk= 0, iat=1163, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1173,1174,
&end
#
# 75 LYS HN 78 ASP HB2 4.10 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1163,1210, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 75 LYS HN 78 ASP HB3 4.74 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1163,1211, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 75 LYS HN 78 ASP HN 4.76 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1163,1206, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 75 LYS QD 76 CYX HN 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1173,1174,
&end
#
# 75 LYS QE 77 SER HA 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1197, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1176,1177,
&end
#
# 75 LYS QE 77 SER HN 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1195, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1176,1177,
&end
#
# 75 LYS QE 77 SER QB 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1176,1177,
igr2=1199,1200,
&end
#
# 76 CYX HA 78 ASP HN 4.52 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1187,1206, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 76 CYX HA 79 LEU HB2 4.24 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1187,1222, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 76 CYX HA 79 LEU HB3 5.23 (#SUP 0.98 #QF 0.20)
&rst
ixpk= 0, nxpk= 0, iat=1187,1223, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 76 CYX HA 79 LEU HG 3.39 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1187,1225, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 76 CYX HA 79 LEU HN 4.30 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1187,1218, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 76 CYX HA 79 LEU QD1 3.07 (#SUP 0.94 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat=1187, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2=1227,1228,1229,
&end
#
# 76 CYX HA 79 LEU QD2 4.30 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1187, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1231,1232,1233,
&end
#
# 76 CYX HB2 77 SER HN 3.84 (#SUP 0.67 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat=1189,1195, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 76 CYX HB3 77 SER HN 3.69 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat=1190,1195, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 76 CYX HB3 77 SER QB 5.34
&rst
ixpk= 0, nxpk= 0, iat=1190, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1199,1200,
&end
#
# 76 CYX HN 76 CYX HB2 3.24 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat=1185,1189, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 76 CYX HN 76 CYX HB3 3.66 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1185,1190, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 76 CYX HN 77 SER HN 3.38 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1185,1195, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 76 CYX HN 78 ASP HN 4.99 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1185,1206, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 76 CYX HN 79 LEU HG 4.86 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1185,1225, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 76 CYX HN 79 LEU HN 5.50 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1185,1218, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 SER HA 79 LEU HN 4.53 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat=1197,1218, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 77 SER HA 80 LEU HB2 4.79 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat=1197,1241, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 77 SER HA 80 LEU HG 3.61 (#SUP 0.69 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat=1197,1244, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 77 SER HA 80 LEU HN 4.15 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat=1197,1237, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 77 SER HA 80 LEU QD1 3.35 (#SUP 0.62 #QF 0.62)
&rst
ixpk= 0, nxpk= 0, iat=1197, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1246,1247,1248,
&end
#
# 77 SER HN 77 SER HB2 3.01 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat=1195,1199, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 77 SER HN 77 SER HB3 3.01 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1195,1200, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 77 SER HN 78 ASP HN 3.30 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1195,1206, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 77 SER HN 79 LEU HN 4.49 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1195,1218, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 77 SER HN 80 LEU HG 5.50 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=1195,1244, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 SER QB 78 ASP HN 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1199,1200,
&end
#
# 77 SER QB 80 LEU QD1 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1=1199,1200,
igr2=1246,1247,1248,
&end
#
# 78 ASP HB2 79 LEU HN 4.02 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1210,1218, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 78 ASP HB2 79 LEU QD2 4.89 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat=1210, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=1231,1232,1233,
&end
#
# 78 ASP HB2 81 THR QG2 5.08 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1210, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2=1262,1263,1264,
&end
#
# 78 ASP HB3 79 LEU HG 5.50 (#SUP 0.91 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat=1211,1225, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 ASP HB3 79 LEU HN 4.64 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat=1211,1218, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 78 ASP HB3 79 LEU QD2 4.52 (#SUP 0.99 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat=1211, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1231,1232,1233,
&end
#
# 78 ASP HB3 81 THR QG2 4.43 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat=1211, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1262,1263,1264,
&end
#
# 78 ASP HB3 86 LYS HA 5.50 (#SUP 0.92 #QF 0.43)
&rst
ixpk= 0, nxpk= 0, iat=1211,1329, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 ASP HB3 86 LYS HB2 4.97 (#SUP 0.85 #QF 0.58)
&rst
ixpk= 0, nxpk= 0, iat=1211,1331, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 78 ASP HB3 86 LYS HB3 4.63 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat=1211,1332, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 78 ASP HB3 86 LYS QD 3.84 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat=1211, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=1337,1338,
&end
#
# 78 ASP HB3 86 LYS QG 4.32
&rst
ixpk= 0, nxpk= 0, iat=1211, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1334,1335,
&end
#
# 78 ASP HN 78 ASP HB2 3.08 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=1206,1210, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 78 ASP HN 78 ASP HB3 3.62 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1206,1211, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 78 ASP HN 79 LEU HB2 5.39 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1206,1222, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 78 ASP HN 79 LEU HG 4.20 (#SUP 0.57 #QF 0.57)
&rst
ixpk= 0, nxpk= 0, iat=1206,1225, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 78 ASP HN 79 LEU HN 3.11 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1206,1218, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 78 ASP HN 79 LEU QD2 4.88 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=1231,1232,1233,
&end
#
# 78 ASP HN 80 LEU HN 4.45 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1206,1237, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 78 ASP HN 81 THR QG2 5.50 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1262,1263,1264,
&end
#
# 79 LEU HA 79 LEU QD1 4.27 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat=1220, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1227,1228,1229,
&end
#
# 79 LEU HA 79 LEU QD2 3.11 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1220, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2=1231,1232,1233,
&end
#
# 79 LEU HA 87 ALA HA 4.71 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1220,1351, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 79 LEU HA 87 ALA HN 4.62 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1220,1349, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 79 LEU HA 87 ALA QB 3.56 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat=1220, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=1353,1354,1355,
&end
#
# 79 LEU HB2 79 LEU QD1 3.29 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1222, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=1227,1228,1229,
&end
#
# 79 LEU HB2 79 LEU QD2 3.66 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1222, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1231,1232,1233,
&end
#
# 79 LEU HB2 80 LEU HN 4.34 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1222,1237, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 79 LEU HB3 79 LEU QD1 2.88 (#SUP 1.00 #QF 0.90)
&rst
ixpk= 1, nxpk= 0, iat=1223, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2=1227,1228,1229,
&end
#
# 79 LEU HB3 79 LEU QD2 3.64 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1223, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1231,1232,1233,
&end
#
# 79 LEU HN 79 LEU HB2 3.24 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1218,1222, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 79 LEU HN 79 LEU HB3 4.08 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1218,1223, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 79 LEU HN 79 LEU HG 2.89 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat=1218,1225, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 79 LEU HN 79 LEU QD1 3.92 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1218, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1227,1228,1229,
&end
#
# 79 LEU HN 79 LEU QD2 3.79 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1218, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1231,1232,1233,
&end
#
# 79 LEU HN 80 LEU HN 3.06 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1218,1237, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 79 LEU HN 81 THR HN 4.41 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1218,1256, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 79 LEU HN 81 THR QG2 4.79 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1218, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=1262,1263,1264,
&end
#
# 79 LEU QD1 87 ALA HA 4.30 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= -1,1351, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1227,1228,1229,
&end
#
# 79 LEU QD2 80 LEU HN 4.93 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= -1,1237, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=1231,1232,1233,
&end
#
# 79 LEU QD2 86 LYS HN 5.11 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= -1,1327, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1=1231,1232,1233,
&end
#
# 79 LEU QD2 87 ALA HA 2.87 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1351, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr1=1231,1232,1233,
&end
#
# 79 LEU QD2 87 ALA HN 3.65 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1349, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1231,1232,1233,
&end
#
# 79 LEU QD2 87 ALA QB 2.88 (#SUP 0.99 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1=1231,1232,1233,
igr2=1353,1354,1355,
&end
#
# 79 LEU QD2 88 ALA HN 4.86 (#SUP 1.00 #QF 0.79)
&rst
ixpk= 1, nxpk= 0, iat= -1,1359, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1231,1232,1233,
&end
#
# 79 LEU QD2 90 CYX HB3 4.34 (#SUP 0.95 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1,1396, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1=1231,1232,1233,
&end
#
# 79 LEU QD2 90 CYX HN 4.89 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= -1,1391, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=1231,1232,1233,
&end
#
# 80 LEU HA 80 LEU HG 3.24 (#SUP 0.60 #QF 0.60)
&rst
ixpk= 0, nxpk= 0, iat=1239,1244, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 80 LEU HA 80 LEU QD1 4.29 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1239, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1246,1247,1248,
&end
#
# 80 LEU HA 80 LEU QD2 3.05 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat=1239, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2=1250,1251,1252,
&end
#
# 80 LEU HB2 80 LEU QD1 3.01 (#SUP 0.99 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat=1241, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2=1246,1247,1248,
&end
#
# 80 LEU HB2 81 THR HN 3.89 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat=1241,1256, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 80 LEU HB3 80 LEU QD1 3.45 (#SUP 0.97 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat=1242, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=1246,1247,1248,
&end
#
# 80 LEU HB3 80 LEU QD2 3.65 (#SUP 0.97 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat=1242, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1250,1251,1252,
&end
#
# 80 LEU HN 80 LEU HB2 3.20 (#SUP 0.99 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1237,1241, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 80 LEU HN 80 LEU HB3 4.03 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1237,1242, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 80 LEU HN 80 LEU HG 3.33 (#SUP 0.99 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1237,1244, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 80 LEU HN 80 LEU QD2 4.59 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1237, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1250,1251,1252,
&end
#
# 80 LEU HN 81 THR HN 2.91 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1237,1256, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 80 LEU HN 81 THR QG2 4.35 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1237, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1262,1263,1264,
&end
#
# 81 THR HA 81 THR QG2 3.83 (#SUP 0.90 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat=1258, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1262,1263,1264,
&end
#
# 81 THR HA 82 ASP HA 4.48 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat=1258,1272, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 81 THR HA 82 ASP HN 2.77 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat=1258,1270, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27, &end
#
# 81 THR HA 83 ASP HN 4.62 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1258,1282, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 81 THR HN 81 THR QG2 2.96 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat=1256, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2=1262,1263,1264,
&end
#
# 81 THR HN 82 ASP HN 4.78 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1256,1270, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 81 THR QG2 82 ASP HN 4.66 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,1270, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=1262,1263,1264,
&end
#
# 81 THR QG2 83 ASP HN 4.63 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= -1,1282, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1262,1263,1264,
&end
#
# 82 ASP HA 84 ILE QG2 5.04 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat=1272, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1300,1301,1302,
&end
#
# 82 ASP HB2 83 ASP HN 4.42 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1274,1282, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 82 ASP HB3 83 ASP HN 4.42 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1275,1282, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 82 ASP HN 82 ASP HB2 3.77 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1270,1274, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 82 ASP HN 82 ASP HB3 3.77 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1270,1275, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 82 ASP HN 82 ASP QB 3.00
&rst
ixpk= 1, nxpk= 0, iat=1270, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1274,1275,
&end
#
# 82 ASP HN 83 ASP HN 3.27 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1270,1282, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 82 ASP QB 83 ASP HN 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1282, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1274,1275,
&end
#
# 83 ASP HB2 84 ILE HN 4.42 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1286,1294, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 83 ASP HB3 84 ILE HN 4.42 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat=1287,1294, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 83 ASP HN 83 ASP HB2 3.74 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat=1282,1286, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 83 ASP HN 83 ASP HB3 3.74 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1282,1287, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 83 ASP HN 83 ASP QB 2.88
&rst
ixpk= 0, nxpk= 0, iat=1282, -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
igr2=1286,1287,
&end
#
# 83 ASP HN 84 ILE QG2 5.26 (#SUP 0.63 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat=1282, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2=1300,1301,1302,
&end
#
# 83 ASP QB 84 ILE HN 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1294, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1=1286,1287,
&end
#
# 84 ILE HB 84 ILE QD1 3.18 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat=1298, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1307,1308,1309,
&end
#
# 84 ILE HB 85 THR HN 5.43 (#SUP 0.99 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat=1298,1313, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 84 ILE HB 87 ALA HN 4.81 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1298,1349, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 84 ILE HB 87 ALA QB 3.72 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat=1298, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1353,1354,1355,
&end
#
# 84 ILE HB 88 ALA HN 4.36 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=1298,1359, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 84 ILE HB 88 ALA QB 4.18 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=1298, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1363,1364,1365,
&end
#
# 84 ILE HG12 85 THR HB 5.13 (#SUP 0.69 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat=1304,1317, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 84 ILE HG12 85 THR HN 3.84 (#SUP 0.91 #QF 0.23)
&rst
ixpk= 0, nxpk= 0, iat=1304,1313, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 84 ILE HG12 88 ALA HN 5.50 (#SUP 1.00 #QF 0.99)
&rst
ixpk= 1, nxpk= 0, iat=1304,1359, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 84 ILE HG13 85 THR HA 4.98 (#SUP 1.00 #QF 0.98)
&rst
ixpk= 1, nxpk= 0, iat=1305,1315, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 84 ILE HG13 85 THR HB 4.86 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat=1305,1317, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 84 ILE HG13 85 THR HN 4.16 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1305,1313, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 84 ILE HN 84 ILE HB 4.17 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1294,1298, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 84 ILE HN 84 ILE HG12 3.26 (#SUP 0.97 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat=1294,1304, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 84 ILE HN 84 ILE HG13 3.44 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat=1294,1305, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 84 ILE HN 84 ILE QD1 4.24 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1294, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=1307,1308,1309,
&end
#
# 84 ILE HN 84 ILE QG2 2.97 (#SUP 0.97 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat=1294, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2=1300,1301,1302,
&end
#
# 84 ILE QD1 87 ALA QB 4.62 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1=1307,1308,1309,
igr2=1353,1354,1355,
&end
#
# 84 ILE QD1 88 ALA HA 5.05 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1307,1308,1309,
&end
#
# 84 ILE QD1 88 ALA HN 4.51 (#SUP 0.69 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat= -1,1359, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1307,1308,1309,
&end
#
# 84 ILE QD1 88 ALA QB 3.40 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1=1307,1308,1309,
igr2=1363,1364,1365,
&end
#
# 84 ILE QG2 84 ILE HG13 3.22 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1,1305, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1=1300,1301,1302,
&end
#
# 84 ILE QG2 84 ILE QD1 2.95 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=1300,1301,1302,
igr2=1307,1308,1309,
&end
#
# 84 ILE QG2 87 ALA QB 4.66 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
igr1=1300,1301,1302,
igr2=1353,1354,1355,
&end
#
# 84 ILE QG2 88 ALA HN 5.50 (#SUP 1.00 #QF 0.99)
&rst
ixpk= 1, nxpk= 0, iat= -1,1359, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1300,1301,1302,
&end
#
# 85 THR HA 85 THR QG2 3.22 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1315, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=1319,1320,1321,
&end
#
# 85 THR HA 87 ALA HN 4.83 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat=1315,1349, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 85 THR HB 86 LYS HN 4.21 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1317,1327, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 85 THR HB 86 LYS QD 5.50 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1317, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1337,1338,
&end
#
# 85 THR HB 88 ALA HN 5.50 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1317,1359, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 85 THR HB 88 ALA QB 4.08 (#SUP 0.42 #QF 0.42)
&rst
ixpk= 0, nxpk= 0, iat=1317, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2=1363,1364,1365,
&end
#
# 85 THR HB 89 LYS HN 5.50 (#SUP 0.99 #QF 0.44)
&rst
ixpk= 0, nxpk= 0, iat=1317,1369, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 85 THR HN 85 THR HB 3.26 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1313,1317, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 85 THR HN 85 THR QG2 4.20 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1313, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1319,1320,1321,
&end
#
# 85 THR HN 86 LYS HN 3.44 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat=1313,1327, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 85 THR QG2 86 LYS HA 3.97 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1329, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1319,1320,1321,
&end
#
# 85 THR QG2 86 LYS HN 3.33 (#SUP 0.98 #QF 0.38)
&rst
ixpk= 0, nxpk= 0, iat= -1,1327, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1319,1320,1321,
&end
#
# 85 THR QG2 86 LYS QD 3.46 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=1319,1320,1321,
igr2=1337,1338,
&end
#
# 85 THR QG2 86 LYS QG 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1=1319,1320,1321,
igr2=1334,1335,
&end
#
# 86 LYS HA 86 LYS HB3 2.93 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat=1329,1332, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 86 LYS HA 86 LYS QD 3.83 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat=1329, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1337,1338,
&end
#
# 86 LYS HA 86 LYS QE 4.65
&rst
ixpk= 0, nxpk= 0, iat=1329, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1340,1341,
&end
#
# 86 LYS HA 86 LYS QG 3.12
&rst
ixpk= 0, nxpk= 0, iat=1329, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2=1334,1335,
&end
#
# 86 LYS HA 89 LYS HN 4.32 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat=1329,1369, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 86 LYS HA 89 LYS QB 4.09 (#SUP 0.62 #QF 0.62)
&rst
ixpk= 0, nxpk= 0, iat=1329, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1373,1374,
&end
#
# 86 LYS HB2 86 LYS QE 4.50
&rst
ixpk= 0, nxpk= 0, iat=1331, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1340,1341,
&end
#
# 86 LYS HB2 87 ALA HN 4.21 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1331,1349, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 86 LYS HB3 86 LYS QE 4.68
&rst
ixpk= 0, nxpk= 0, iat=1332, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1340,1341,
&end
#
# 86 LYS HB3 87 ALA HN 4.64 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1332,1349, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 86 LYS HN 86 LYS HB2 3.00 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat=1327,1331, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 86 LYS HN 86 LYS HB3 3.94 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1327,1332, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 86 LYS HN 86 LYS HG2 4.22 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1327,1334, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 86 LYS HN 86 LYS HG3 4.22 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1327,1335, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 86 LYS HN 86 LYS QD 4.33 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1327, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1337,1338,
&end
#
# 86 LYS HN 86 LYS QE 4.88
&rst
ixpk= 1, nxpk= 0, iat=1327, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1340,1341,
&end
#
# 86 LYS HN 86 LYS QG 3.53
&rst
ixpk= 1, nxpk= 0, iat=1327, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1334,1335,
&end
#
# 86 LYS HN 87 ALA HN 3.27 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1327,1349, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 86 LYS HN 88 ALA HN 4.58 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat=1327,1359, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 86 LYS QG 86 LYS QE 3.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1=1334,1335,
igr2=1340,1341,
&end
#
# 87 ALA HA 90 CYX HB2 4.39 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1351,1395, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 87 ALA HA 90 CYX HB3 3.79 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1351,1396, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 87 ALA HA 90 CYX HN 3.66 (#SUP 0.64 #QF 0.64)
&rst
ixpk= 0, nxpk= 0, iat=1351,1391, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 87 ALA HN 87 ALA QB 2.74 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1349, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2=1353,1354,1355,
&end
#
# 87 ALA HN 88 ALA HN 3.24 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1349,1359, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 87 ALA HN 88 ALA QB 4.11 (#SUP 0.49 #QF 0.49)
&rst
ixpk= 0, nxpk= 0, iat=1349, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1363,1364,1365,
&end
#
# 87 ALA HN 89 LYS HN 4.71 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1349,1369, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 87 ALA QB 88 ALA HA 4.47 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1353,1354,1355,
&end
#
# 87 ALA QB 88 ALA HN 3.16 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,1359, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1=1353,1354,1355,
&end
#
# 87 ALA QB 88 ALA QB 4.07 (#SUP 0.61 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=1353,1354,1355,
igr2=1363,1364,1365,
&end
#
# 87 ALA QB 90 CYX HB3 4.73 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1396, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1353,1354,1355,
&end
#
# 87 ALA QB 91 ALA QB 4.12 (#SUP 0.51 #QF 0.51)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1353,1354,1355,
igr2=1405,1406,1407,
&end
#
# 88 ALA HA 90 CYX HN 5.01 (#SUP 0.54 #QF 0.54)
&rst
ixpk= 0, nxpk= 0, iat=1361,1391, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 88 ALA HA 91 ALA HN 3.78 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1361,1401, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 88 ALA HA 91 ALA QB 3.30 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1361, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1405,1406,1407,
&end
#
# 88 ALA HA 92 LYS HG2 5.32 (#SUP 0.88 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat=1361,1418, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 88 ALA HA 92 LYS HN 4.51 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1361,1411, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 88 ALA HA 92 LYS QD 4.67 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1361, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=1421,1422,
&end
#
# 88 ALA HN 88 ALA QB 2.78 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1359, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2=1363,1364,1365,
&end
#
# 88 ALA HN 89 LYS HN 3.27 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1359,1369, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 88 ALA HN 89 LYS QB 4.93 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1359, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2=1373,1374,
&end
#
# 88 ALA HN 90 CYX HN 4.50 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1359,1391, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 88 ALA HN 91 ALA QB 5.18 (#SUP 1.00 #QF 0.79)
&rst
ixpk= 1, nxpk= 0, iat=1359, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2=1405,1406,1407,
&end
#
# 88 ALA QB 89 LYS HN 3.13 (#SUP 0.98 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1,1369, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr1=1363,1364,1365,
&end
#
# 88 ALA QB 89 LYS QB 4.44 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1363,1364,1365,
igr2=1373,1374,
&end
#
# 88 ALA QB 90 CYX HN 5.24 (#SUP 0.99 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1,1391, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1=1363,1364,1365,
&end
#
# 88 ALA QB 91 ALA HN 4.99 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1363,1364,1365,
&end
#
# 88 ALA QB 91 ALA QB 4.01 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=1363,1364,1365,
igr2=1405,1406,1407,
&end
#
# 88 ALA QB 92 LYS HN 4.85 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,1411, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1=1363,1364,1365,
&end
#
# 88 ALA QB 92 LYS QD 3.97 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1=1363,1364,1365,
igr2=1421,1422,
&end
#
# 89 LYS HA 89 LYS HG2 4.17 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1371,1376, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 89 LYS HA 89 LYS HG3 4.17 (#SUP 0.96 #QF 0.29)
&rst
ixpk= 0, nxpk= 0, iat=1371,1377, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 89 LYS HA 89 LYS QB 2.82 (#SUP 0.49 #QF 0.49)
&rst
ixpk= 0, nxpk= 0, iat=1371, -1, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
igr2=1373,1374,
&end
#
# 89 LYS HA 89 LYS QE 5.34
&rst
ixpk= 0, nxpk= 0, iat=1371, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1382,1383,
&end
#
# 89 LYS HA 89 LYS QG 3.64
&rst
ixpk= 0, nxpk= 0, iat=1371, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2=1376,1377,
&end
#
# 89 LYS HA 91 ALA HN 5.03 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1371,1401, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 89 LYS HN 89 LYS QB 2.79 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1369, -1, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,
igr2=1373,1374,
&end
#
# 89 LYS HN 89 LYS QG 3.23
&rst
ixpk= 0, nxpk= 0, iat=1369, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2=1376,1377,
&end
#
# 89 LYS HN 90 CYX HB2 5.50 (#SUP 0.99 #QF 0.44)
&rst
ixpk= 0, nxpk= 0, iat=1369,1395, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 LYS HN 90 CYX HB3 5.27 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1369,1396, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 89 LYS HN 90 CYX HN 3.15 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1369,1391, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 89 LYS HN 91 ALA HN 4.66 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1369,1401, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 89 LYS HN 91 ALA QB 4.94 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1369, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1405,1406,1407,
&end
#
# 89 LYS QB 90 CYX HB2 4.77 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1=1373,1374,
&end
#
# 89 LYS QB 90 CYX HN 3.56 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1,1391, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1373,1374,
&end
#
# 89 LYS QB 91 ALA HN 5.27 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=1373,1374,
&end
#
# 89 LYS QB 91 ALA QB 5.50 (#SUP 0.80 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1373,1374,
igr2=1405,1406,1407,
&end
#
# 89 LYS QG 89 LYS QE 3.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1=1376,1377,
igr2=1382,1383,
&end
#
# 89 LYS QG 90 CYX HN 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1,1391, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1376,1377,
&end
#
# 90 CYX HB2 91 ALA HN 4.07 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1395,1401, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 90 CYX HB3 91 ALA HN 3.30 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1396,1401, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 90 CYX HB3 91 ALA QB 4.81 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1396, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=1405,1406,1407,
&end
#
# 90 CYX HN 90 CYX HB2 2.98 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1391,1395, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 90 CYX HN 90 CYX HB3 3.00 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1391,1396, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 90 CYX HN 91 ALA HN 3.19 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1391,1401, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 90 CYX HN 91 ALA QB 4.20 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1391, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1405,1406,1407,
&end
#
# 91 ALA HA 103 TRP HH2 3.89 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1403,1639, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 91 ALA HA 103 TRP HZ2 3.58 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1403,1637, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 91 ALA HA 94 ILE HB 3.89 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat=1403,1459, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 91 ALA HA 94 ILE QD1 3.37 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1403, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=1468,1469,1470,
&end
#
# 91 ALA HA 94 ILE QG2 4.92 (#SUP 0.83 #QF 0.53)
&rst
ixpk= 0, nxpk= 0, iat=1403, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2=1461,1462,1463,
&end
#
# 91 ALA HN 91 ALA QB 2.83 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1401, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr2=1405,1406,1407,
&end
#
# 91 ALA HN 92 LYS HN 3.37 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1401,1411, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 91 ALA HN 92 LYS QB 5.16 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1401, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=1415,1416,
&end
#
# 91 ALA HN 93 LYS HN 4.74 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat=1401,1433, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 91 ALA HN 94 ILE QD1 4.88 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1401, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=1468,1469,1470,
&end
#
# 91 ALA QB 103 TRP HH2 4.00 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1,1639, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1405,1406,1407,
&end
#
# 91 ALA QB 103 TRP HZ2 3.73 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1637, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=1405,1406,1407,
&end
#
# 91 ALA QB 92 LYS HN 3.26 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1,1411, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1=1405,1406,1407,
&end
#
# 91 ALA QB 92 LYS QE 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1=1405,1406,1407,
igr2=1424,1425,
&end
#
# 91 ALA QB 94 ILE HN 4.68 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= -1,1455, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=1405,1406,1407,
&end
#
# 91 ALA QB 94 ILE QD1 4.33 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=1405,1406,1407,
igr2=1468,1469,1470,
&end
#
# 92 LYS HA 92 LYS HG2 3.47 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1413,1418, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 92 LYS HA 92 LYS QB 2.86 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1413, -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
igr2=1415,1416,
&end
#
# 92 LYS HA 92 LYS QD 3.25 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1413, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2=1421,1422,
&end
#
# 92 LYS HA 92 LYS QE 4.52
&rst
ixpk= 0, nxpk= 0, iat=1413, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1424,1425,
&end
#
# 92 LYS HA 93 LYS HA 5.07 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1413,1435, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 92 LYS HA 95 TYR HN 3.82 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1413,1474, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 92 LYS HA 95 TYR QB 3.29 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1413, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2=1478,1479,
&end
#
# 92 LYS HG2 92 LYS QE 3.72
&rst
ixpk= 0, nxpk= 0, iat=1418, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=1424,1425,
&end
#
# 92 LYS HG2 93 LYS HN 4.42 (#SUP 0.85 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat=1418,1433, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 92 LYS HG3 92 LYS QE 3.38
&rst
ixpk= 0, nxpk= 0, iat=1419, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=1424,1425,
&end
#
# 92 LYS HG3 93 LYS HN 4.95 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat=1419,1433, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 92 LYS HN 92 LYS HE2 5.31 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1411,1424, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 92 LYS HN 92 LYS HE3 5.31 (#SUP 0.67 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat=1411,1425, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 92 LYS HN 92 LYS HG2 4.08 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1411,1418, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 92 LYS HN 92 LYS HG3 3.63 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat=1411,1419, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 92 LYS HN 92 LYS QB 2.91 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat=1411, -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
igr2=1415,1416,
&end
#
# 92 LYS HN 92 LYS QD 3.08 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1411, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2=1421,1422,
&end
#
# 92 LYS HN 92 LYS QE 4.59
&rst
ixpk= 0, nxpk= 0, iat=1411, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1424,1425,
&end
#
# 92 LYS HN 93 LYS HN 3.26 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1411,1433, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 92 LYS HN 93 LYS QB 5.23
&rst
ixpk= 0, nxpk= 0, iat=1411, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=1437,1438,
&end
#
# 92 LYS HN 95 TYR QB 5.18 (#SUP 0.40 #QF 0.40)
&rst
ixpk= 0, nxpk= 0, iat=1411, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=1478,1479,
&end
#
# 92 LYS QB 92 LYS QD 3.03 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1=1415,1416,
igr2=1421,1422,
&end
#
# 92 LYS QB 93 LYS HN 3.14 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat= -1,1433, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr1=1415,1416,
&end
#
# 92 LYS QB 95 TYR QB 4.77 (#SUP 0.80 #QF 0.52)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1=1415,1416,
igr2=1478,1479,
&end
#
# 92 LYS QD 93 LYS HN 5.50 (#SUP 1.00 #QF 0.78)
&rst
ixpk= 1, nxpk= 0, iat= -1,1433, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1421,1422,
&end
#
# 92 LYS QE 95 TYR QB 5.34
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1424,1425,
igr2=1478,1479,
&end
#
# 93 LYS HA 93 LYS HG2 4.07 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1435,1440, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 93 LYS HA 93 LYS HG3 4.07 (#SUP 0.96 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat=1435,1441, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 93 LYS HA 93 LYS QE 5.27
&rst
ixpk= 0, nxpk= 0, iat=1435, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2=1446,1447,
&end
#
# 93 LYS HA 94 ILE HG13 5.50 (#SUP 0.80 #QF 0.50)
&rst
ixpk= 0, nxpk= 0, iat=1435,1466, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 93 LYS HA 96 LYS HG2 4.74 (#SUP 0.51 #QF 0.51)
&rst
ixpk= 0, nxpk= 0, iat=1435,1502, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 93 LYS HA 96 LYS HG3 4.74 (#SUP 0.96 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat=1435,1503, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 93 LYS HA 96 LYS HN 3.88 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1435,1495, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 93 LYS HA 96 LYS QG 4.00
&rst
ixpk= 0, nxpk= 0, iat=1435, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1502,1503,
&end
#
# 93 LYS HN 93 LYS HB2 3.42 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1433,1437, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 93 LYS HN 93 LYS HB3 3.42 (#SUP 0.72 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat=1433,1438, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 93 LYS HN 93 LYS HG2 4.84 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1433,1440, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 93 LYS HN 93 LYS HG3 4.84 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1433,1441, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 93 LYS HN 93 LYS QB 2.77
&rst
ixpk= 0, nxpk= 0, iat=1433, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr2=1437,1438,
&end
#
# 93 LYS HN 93 LYS QD 4.73
&rst
ixpk= 0, nxpk= 0, iat=1433, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1443,1444,
&end
#
# 93 LYS HN 93 LYS QG 4.16
&rst
ixpk= 0, nxpk= 0, iat=1433, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1440,1441,
&end
#
# 93 LYS HN 94 ILE HA 5.50 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1433,1457, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 93 LYS HN 94 ILE HG13 4.84 (#SUP 0.85 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat=1433,1466, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 93 LYS HN 94 ILE HN 3.31 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1433,1455, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 93 LYS HN 95 TYR HN 4.87 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1433,1474, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 93 LYS HN 95 TYR QB 5.11 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat=1433, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=1478,1479,
&end
#
# 93 LYS QB 93 LYS QE 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1437,1438,
igr2=1446,1447,
&end
#
# 93 LYS QB 94 ILE HG13 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1466, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1437,1438,
&end
#
# 93 LYS QB 94 ILE HN 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1455, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1=1437,1438,
&end
#
# 93 LYS QG 93 LYS QE 3.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1=1440,1441,
igr2=1446,1447,
&end
#
# 94 ILE HA 94 ILE HG12 3.98 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1457,1465, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 94 ILE HA 94 ILE HG13 4.05 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1457,1466, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 94 ILE HA 94 ILE QD1 4.27 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1457, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1468,1469,1470,
&end
#
# 94 ILE HA 94 ILE QG2 3.55 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1457, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2=1461,1462,1463,
&end
#
# 94 ILE HA 96 LYS HN 4.86 (#SUP 0.89 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat=1457,1495, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 94 ILE HA 97 ARG HN 4.62 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat=1457,1517, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 94 ILE HA 97 ARG QG 5.34
&rst
ixpk= 0, nxpk= 0, iat=1457, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1524,1525,
&end
#
# 94 ILE HA 98 HIS HD2 5.42 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1457,1554, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 94 ILE HA 98 HIS HN 4.74 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat=1457,1541, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 94 ILE HB 103 TRP HH2 3.58 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1459,1639, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 94 ILE HB 103 TRP HZ2 4.43 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1459,1637, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 94 ILE HB 94 ILE QD1 3.40 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1459, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2=1468,1469,1470,
&end
#
# 94 ILE HB 95 TYR HN 3.46 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1459,1474, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 94 ILE HB 95 TYR QB 4.76 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1459, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1478,1479,
&end
#
# 94 ILE HG13 95 TYR HN 4.79 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1466,1474, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 94 ILE HN 103 TRP HH2 5.06 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1455,1639, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 94 ILE HN 94 ILE HB 3.52 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1455,1459, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 94 ILE HN 94 ILE HG12 3.93 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1455,1465, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 94 ILE HN 94 ILE HG13 3.32 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1455,1466, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 94 ILE HN 94 ILE QD1 4.09 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1455, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1468,1469,1470,
&end
#
# 94 ILE HN 94 ILE QG2 4.46 (#SUP 0.90 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat=1455, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=1461,1462,1463,
&end
#
# 94 ILE HN 95 TYR HN 3.76 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1455,1474, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 94 ILE QD1 103 TRP HZ2 3.57 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1,1637, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1=1468,1469,1470,
&end
#
# 94 ILE QG2 102 ALA HA 5.05 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1616, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1461,1462,1463,
&end
#
# 94 ILE QG2 102 ALA QB 2.93 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1=1461,1462,1463,
igr2=1618,1619,1620,
&end
#
# 94 ILE QG2 103 TRP HE3 5.10 (#SUP 0.54 #QF 0.54)
&rst
ixpk= 0, nxpk= 0, iat= -1,1643, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1461,1462,1463,
&end
#
# 94 ILE QG2 103 TRP HH2 3.91 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1,1639, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1=1461,1462,1463,
&end
#
# 94 ILE QG2 103 TRP HZ2 4.65 (#SUP 0.85 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat= -1,1637, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1461,1462,1463,
&end
#
# 94 ILE QG2 103 TRP HZ3 4.09 (#SUP 0.85 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat= -1,1641, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=1461,1462,1463,
&end
#
# 94 ILE QG2 94 ILE HG12 3.65 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1461,1462,1463,
&end
#
# 94 ILE QG2 94 ILE HG13 3.85 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,1466, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1461,1462,1463,
&end
#
# 94 ILE QG2 95 TYR HA 4.35 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1,1476, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1461,1462,1463,
&end
#
# 94 ILE QG2 95 TYR HN 4.01 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1474, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1=1461,1462,1463,
&end
#
# 94 ILE QG2 96 LYS QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1=1461,1462,1463,
igr2=1499,1500,
&end
#
# 94 ILE QG2 98 HIS HB2 4.17 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,1545, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=1461,1462,1463,
&end
#
# 94 ILE QG2 98 HIS HB3 4.73 (#SUP 0.60 #QF 0.60)
&rst
ixpk= 0, nxpk= 0, iat= -1,1546, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1461,1462,1463,
&end
#
# 94 ILE QG2 98 HIS HD2 3.66 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1,1554, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1461,1462,1463,
&end
#
# 94 ILE QG2 98 HIS HN 4.46 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1,1541, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1=1461,1462,1463,
&end
#
# 95 TYR HA 103 TRP HH2 4.98 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1476,1639, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 95 TYR HA 103 TRP HZ3 4.39 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1476,1641, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 95 TYR HA 98 HIS HN 3.84 (#SUP 0.90 #QF 0.23)
&rst
ixpk= 0, nxpk= 0, iat=1476,1541, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 95 TYR HA 99 ARG HA 3.62 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1476,1560, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 95 TYR HA 99 ARG HN 3.70 (#SUP 0.53 #QF 0.53)
&rst
ixpk= 0, nxpk= 0, iat=1476,1558, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 95 TYR HN 103 TRP HH2 4.42 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1474,1639, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 95 TYR HN 103 TRP HZ3 5.30 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1474,1641, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 95 TYR HN 95 TYR QB 2.95 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1474, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr2=1478,1479,
&end
#
# 95 TYR HN 96 LYS HN 3.49 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat=1474,1495, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 95 TYR HN 96 LYS QB 4.63
&rst
ixpk= 0, nxpk= 0, iat=1474, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1499,1500,
&end
#
# 95 TYR QB 103 TRP HH2 4.67 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,1639, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1478,1479,
&end
#
# 95 TYR QB 103 TRP HZ3 4.65 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1641, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1478,1479,
&end
#
# 95 TYR QB 96 LYS HN 3.27 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= -1,1495, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr1=1478,1479,
&end
#
# 95 TYR QB 96 LYS QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1478,1479,
igr2=1499,1500,
&end
#
# 95 TYR QB 99 ARG HA 4.84 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1478,1479,
&end
#
# 95 TYR QB 99 ARG HN 4.97 (#SUP 0.74 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat= -1,1558, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1478,1479,
&end
#
# 95 TYR QB 99 ARG QG 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1478,1479,
igr2=1565,1566,
&end
#
# 95 TYR QD 96 LYS HA 4.79 (#SUP 0.42 #QF 0.42)
&rst
ixpk= 0, nxpk= 0, iat= -1,1497, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=1482,1491,
&end
#
# 95 TYR QD 96 LYS HN 4.92 (#SUP 0.58 #QF 0.58)
&rst
ixpk= 0, nxpk= 0, iat= -1,1495, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1482,1491,
&end
#
# 95 TYR QD 99 ARG HA 4.03 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1=1482,1491,
&end
#
# 96 LYS HA 96 LYS HG2 4.17 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1497,1502, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 96 LYS HA 96 LYS HG3 4.17 (#SUP 0.96 #QF 0.29)
&rst
ixpk= 0, nxpk= 0, iat=1497,1503, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 96 LYS HA 96 LYS QD 5.34
&rst
ixpk= 0, nxpk= 0, iat=1497, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1505,1506,
&end
#
# 96 LYS HA 96 LYS QE 5.34
&rst
ixpk= 0, nxpk= 0, iat=1497, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1508,1509,
&end
#
# 96 LYS HA 96 LYS QG 3.59
&rst
ixpk= 0, nxpk= 0, iat=1497, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2=1502,1503,
&end
#
# 96 LYS HA 98 HIS HN 5.33 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat=1497,1541, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 96 LYS HN 96 LYS HG2 4.17 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1495,1502, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 96 LYS HN 96 LYS HG3 4.17 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1495,1503, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 96 LYS HN 96 LYS QB 2.73
&rst
ixpk= 0, nxpk= 0, iat=1495, -1, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,
igr2=1499,1500,
&end
#
# 96 LYS HN 96 LYS QD 4.41
&rst
ixpk= 0, nxpk= 0, iat=1495, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1505,1506,
&end
#
# 96 LYS HN 96 LYS QE 5.34
&rst
ixpk= 0, nxpk= 0, iat=1495, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1508,1509,
&end
#
# 96 LYS HN 96 LYS QG 3.61
&rst
ixpk= 0, nxpk= 0, iat=1495, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=1502,1503,
&end
#
# 96 LYS HN 97 ARG HN 3.36 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1495,1517, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 96 LYS QB 97 ARG HN 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1517, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1=1499,1500,
&end
#
# 96 LYS QB 97 ARG QG 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1=1499,1500,
igr2=1524,1525,
&end
#
# 96 LYS QB 98 HIS HN 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1541, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=1499,1500,
&end
#
# 96 LYS QD 97 ARG HN 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1517, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1505,1506,
&end
#
# 97 ARG HA 97 ARG HD2 4.24 (#SUP 0.84 #QF 0.50)
&rst
ixpk= 0, nxpk= 0, iat=1519,1527, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 97 ARG HA 97 ARG HD3 4.24 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1519,1528, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 97 ARG HA 97 ARG HG2 4.07 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1519,1524, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 97 ARG HA 97 ARG HG3 4.07 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1519,1525, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 97 ARG HA 97 ARG QD 3.68
&rst
ixpk= 1, nxpk= 0, iat=1519, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1527,1528,
&end
#
# 97 ARG HA 97 ARG QG 3.55
&rst
ixpk= 1, nxpk= 0, iat=1519, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=1524,1525,
&end
#
# 97 ARG HB2 97 ARG HE 4.94 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1521,1530, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 97 ARG HB2 98 HIS HD2 4.03 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat=1521,1554, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 97 ARG HB2 98 HIS HN 3.60 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1521,1541, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 97 ARG HB3 97 ARG QD 3.70
&rst
ixpk= 0, nxpk= 0, iat=1522, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=1527,1528,
&end
#
# 97 ARG HB3 98 HIS HD2 3.96 (#SUP 0.93 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=1522,1554, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 97 ARG HB3 98 HIS HN 3.77 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1522,1541, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 97 ARG HN 97 ARG HB2 3.22 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1517,1521, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 97 ARG HN 97 ARG HB3 3.81 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1517,1522, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 97 ARG HN 97 ARG HD2 5.50 (#SUP 0.95 #QF 0.40)
&rst
ixpk= 0, nxpk= 0, iat=1517,1527, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 97 ARG HN 97 ARG HD3 5.50 (#SUP 0.95 #QF 0.40)
&rst
ixpk= 0, nxpk= 0, iat=1517,1528, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 97 ARG HN 97 ARG HG2 4.36 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1517,1524, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 97 ARG HN 97 ARG HG3 4.36 (#SUP 0.98 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1517,1525, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 97 ARG HN 97 ARG QG 3.82
&rst
ixpk= 0, nxpk= 0, iat=1517, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=1524,1525,
&end
#
# 97 ARG HN 98 HIS HD2 5.38 (#SUP 0.96 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat=1517,1554, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 97 ARG HN 98 HIS HN 3.12 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1517,1541, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 97 ARG QG 98 HIS HN 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1541, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1524,1525,
&end
#
# 98 HIS HB2 102 ALA HN 4.46 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1545,1614, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 98 HIS HB2 102 ALA QB 3.44 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1545, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1618,1619,1620,
&end
#
# 98 HIS HB2 98 HIS HD2 3.72 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1545,1554, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 98 HIS HB3 101 ASP HN 4.89 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat=1546,1602, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 98 HIS HB3 101 ASP QB 4.15 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1546, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1606,1607,
&end
#
# 98 HIS HB3 102 ALA HA 4.83 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1546,1616, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 98 HIS HB3 102 ALA HN 4.20 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1546,1614, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 98 HIS HB3 102 ALA QB 3.53 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1546, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1618,1619,1620,
&end
#
# 98 HIS HD2 102 ALA QB 4.22 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1554, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1618,1619,1620,
&end
#
# 98 HIS HN 102 ALA QB 4.78 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1541, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=1618,1619,1620,
&end
#
# 98 HIS HN 98 HIS HB2 3.28 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat=1541,1545, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 98 HIS HN 98 HIS HB3 4.07 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1541,1546, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 98 HIS HN 98 HIS HD2 4.20 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1541,1554, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 98 HIS HN 99 ARG HA 4.58 (#SUP 0.61 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat=1541,1560, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 98 HIS HN 99 ARG HB3 5.50 (#SUP 0.46 #QF 0.46)
&rst
ixpk= 0, nxpk= 0, iat=1541,1563, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 99 ARG HA 99 ARG HD2 4.37 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat=1560,1568, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 99 ARG HA 99 ARG HD3 4.37 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1560,1569, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 99 ARG HA 99 ARG QG 3.56
&rst
ixpk= 0, nxpk= 0, iat=1560, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1565,1566,
&end
#
# 99 ARG HB2 100 PHE HN 3.91 (#SUP 0.95 #QF 0.35)
&rst
ixpk= 0, nxpk= 0, iat=1562,1582, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 99 ARG HB2 101 ASP HN 5.50 (#SUP 1.00 #QF 0.32)
&rst
ixpk= 1, nxpk= 0, iat=1562,1602, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 99 ARG HB3 100 PHE HN 4.53 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1563,1582, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 99 ARG HB3 99 ARG HD2 3.76 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat=1563,1568, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 99 ARG HB3 99 ARG HD3 3.76 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat=1563,1569, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 99 ARG HB3 99 ARG QD 3.29
&rst
ixpk= 0, nxpk= 0, iat=1563, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2=1568,1569,
&end
#
# 99 ARG HG2 100 PHE HN 4.13 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=1565,1582, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 99 ARG HG3 100 PHE HN 4.13 (#SUP 0.95 #QF 0.35)
&rst
ixpk= 0, nxpk= 0, iat=1566,1582, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 99 ARG HN 100 PHE HN 4.53 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1558,1582, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 99 ARG HN 99 ARG HB3 4.09 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1558,1563, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 99 ARG HN 99 ARG HD2 4.66 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1558,1568, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 99 ARG HN 99 ARG HD3 4.66 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1558,1569, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 99 ARG HN 99 ARG QG 3.73
&rst
ixpk= 0, nxpk= 0, iat=1558, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1565,1566,
&end
#
# 99 ARG QG 100 PHE HN 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1582, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1565,1566,
&end
#
# 99 ARG QG 101 ASP HN 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=1565,1566,
&end
#
# 100 PHE HA 100 PHE QD 3.75 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat=1584, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2=1590,1598,
&end
#
# 100 PHE HA 100 PHE QE 4.56 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1584, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1592,1596,
&end
#
# 100 PHE HA 102 ALA HN 4.80 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat=1584,1614, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 100 PHE HA 103 TRP HB2 4.90 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat=1584,1628, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 100 PHE HA 103 TRP HE3 3.59 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat=1584,1643, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 100 PHE HA 103 TRP HN 4.73 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat=1584,1624, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 100 PHE HA 103 TRP HZ3 4.03 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat=1584,1641, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 100 PHE HN 100 PHE QB 3.69
&rst
ixpk= 0, nxpk= 0, iat=1582, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=1586,1587,
&end
#
# 100 PHE HN 101 ASP HN 3.66 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1582,1602, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 100 PHE QB 103 TRP HE3 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1643, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=1586,1587,
&end
#
# 100 PHE QB 106 TRP HZ2 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1689, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1586,1587,
&end
#
# 100 PHE QD 103 TRP HE3 4.34 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1,1643, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1=1590,1598,
&end
#
# 100 PHE QD 103 TRP HZ3 4.97 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1,1641, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1590,1598,
&end
#
# 100 PHE QD 106 TRP HZ2 4.16 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= -1,1689, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=1590,1598,
&end
#
# 101 ASP HA 103 TRP HN 4.34 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat=1604,1624, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 101 ASP HA 106 TRP HE3 4.46 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat=1604,1695, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 101 ASP HA 106 TRP HZ3 4.50 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat=1604,1693, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 101 ASP HA 107 LYS QG 5.10
&rst
ixpk= 0, nxpk= 0, iat=1604, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1707,1708,
&end
#
# 101 ASP HN 101 ASP QB 3.16 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=1602, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2=1606,1607,
&end
#
# 101 ASP HN 102 ALA HN 3.67 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1602,1614, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 101 ASP QB 102 ALA HA 4.77 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1,1616, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1=1606,1607,
&end
#
# 101 ASP QB 102 ALA HN 3.96 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,1614, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1606,1607,
&end
#
# 101 ASP QB 102 ALA QB 4.44 (#SUP 0.66 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1606,1607,
igr2=1618,1619,1620,
&end
#
# 101 ASP QB 103 TRP HN 4.99 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat= -1,1624, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=1606,1607,
&end
#
# 102 ALA HN 102 ALA QB 3.06 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1614, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2=1618,1619,1620,
&end
#
# 102 ALA HN 103 TRP HE3 4.19 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1614,1643, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 102 ALA HN 103 TRP HN 3.51 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1614,1624, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 102 ALA HN 103 TRP HZ3 4.74 (#SUP 0.56 #QF 0.56)
&rst
ixpk= 0, nxpk= 0, iat=1614,1641, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 102 ALA QB 103 TRP HE3 3.95 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1,1643, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=1618,1619,1620,
&end
#
# 102 ALA QB 103 TRP HN 3.85 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,1624, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1618,1619,1620,
&end
#
# 102 ALA QB 103 TRP HZ3 4.20 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= -1,1641, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1618,1619,1620,
&end
#
# 103 TRP HA 103 TRP HD1 4.05 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=1626,1632, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 103 TRP HA 104 TYR HN 3.56 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1626,1648, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 103 TRP HA 104 TYR QB 4.54
&rst
ixpk= 0, nxpk= 0, iat=1626, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1652,1653,
&end
#
# 103 TRP HA 104 TYR QD 5.50 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat=1626, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1656,1665,
&end
#
# 103 TRP HA 105 GLY HN 4.86 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1626,1669, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 103 TRP HB2 103 TRP HE3 4.12 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1628,1643, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 103 TRP HB2 103 TRP HZ3 5.33 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1628,1641, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 103 TRP HB2 106 TRP HB2 4.43 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1628,1680, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 103 TRP HB2 106 TRP HB3 4.22 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1628,1681, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 103 TRP HB2 106 TRP HN 4.32 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1628,1676, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 103 TRP HB3 103 TRP HD1 3.68 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1629,1632, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 103 TRP HB3 105 GLY HN 5.00 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=1629,1669, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 103 TRP HB3 106 TRP HB2 5.03 (#SUP 0.69 #QF 0.33)
&rst
ixpk= 0, nxpk= 0, iat=1629,1680, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 103 TRP HB3 106 TRP HB3 4.71 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1629,1681, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 103 TRP HB3 106 TRP HN 4.23 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1629,1676, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 103 TRP HN 103 TRP HB2 3.40 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1624,1628, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 103 TRP HN 103 TRP HB3 3.79 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1624,1629, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 103 TRP HN 103 TRP HE3 3.54 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1624,1643, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 103 TRP HN 103 TRP HZ3 4.99 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1624,1641, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 104 TYR HA 104 TYR QD 3.63 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1650, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1656,1665,
&end
#
# 104 TYR HB2 105 GLY HN 4.02 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat=1652,1669, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 104 TYR HB3 105 GLY HN 4.02 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1653,1669, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 104 TYR HN 104 TYR HB2 3.55 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1648,1652, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 104 TYR HN 104 TYR HB3 3.55 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1648,1653, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 104 TYR HN 104 TYR QD 4.30 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1648, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1656,1665,
&end
#
# 104 TYR HN 105 GLY HN 4.06 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1648,1669, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 104 TYR QB 105 GLY QA 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1=1652,1653,
igr2=1671,1672,
&end
#
# 104 TYR QD 105 GLY HN 4.11 (#SUP 0.98 #QF 0.38)
&rst
ixpk= 0, nxpk= 0, iat= -1,1669, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=1656,1665,
&end
#
# 104 TYR QD 105 GLY QA 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=1656,1665,
igr2=1671,1672,
&end
#
# 104 TYR QD 107 LYS HG2 5.11 (#SUP 0.62 #QF 0.62)
&rst
ixpk= 0, nxpk= 0, iat= -1,1707, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=1656,1665,
&end
#
# 104 TYR QD 107 LYS HG3 5.11 (#SUP 0.98 #QF 0.20)
&rst
ixpk= 0, nxpk= 0, iat= -1,1708, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=1656,1665,
&end
#
# 104 TYR QD 107 LYS QB 5.50 (#SUP 0.79 #QF 0.43)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1656,1665,
igr2=1704,1705,
&end
#
# 104 TYR QD 107 LYS QD 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1656,1665,
igr2=1710,1711,
&end
#
# 104 TYR QD 107 LYS QG 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1656,1665,
igr2=1707,1708,
&end
#
# 105 GLY HN 106 TRP HB2 5.50 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat=1669,1680, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 105 GLY HN 106 TRP HN 4.01 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1669,1676, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 105 GLY QA 108 ASN HN 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1722, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1671,1672,
&end
#
# 105 GLY QA 108 ASN QB 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1=1671,1672,
igr2=1726,1727,
&end
#
# 105 GLY QA 109 HIS HD2 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1749, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=1671,1672,
&end
#
# 105 GLY QA 109 HIS QB 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1=1671,1672,
igr2=1740,1741,
&end
#
# 106 TRP HA 107 LYS HA 5.01 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1678,1702, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 106 TRP HA 108 ASN HN 5.50 (#SUP 0.99 #QF 0.54)
&rst
ixpk= 0, nxpk= 0, iat=1678,1722, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 106 TRP HA 109 HIS HN 4.81 (#SUP 0.24 #QF 0.24)
&rst
ixpk= 0, nxpk= 0, iat=1678,1736, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 106 TRP HA 110 CYX HB2 4.33 (#SUP 0.56 #QF 0.56)
&rst
ixpk= 0, nxpk= 0, iat=1678,1757, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 106 TRP HA 110 CYX HB3 4.33 (#SUP 0.69 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat=1678,1758, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 106 TRP HA 110 CYX HN 4.24 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat=1678,1753, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 106 TRP HA 110 CYX QB 3.73
&rst
ixpk= 0, nxpk= 0, iat=1678, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1757,1758,
&end
#
# 106 TRP HB2 107 LYS HN 4.63 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1680,1700, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 106 TRP HB3 107 LYS HA 5.50 (#SUP 0.93 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat=1681,1702, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 106 TRP HB3 107 LYS HN 4.13 (#SUP 0.72 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat=1681,1700, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 106 TRP HB3 107 LYS QG 4.61
&rst
ixpk= 0, nxpk= 0, iat=1681, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2=1707,1708,
&end
#
# 106 TRP HD1 110 CYX HB2 4.46 (#SUP 0.69 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat=1684,1757, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 106 TRP HD1 110 CYX HB3 4.46 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1684,1758, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 106 TRP HD1 110 CYX QB 3.74
&rst
ixpk= 0, nxpk= 0, iat=1684, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1757,1758,
&end
#
# 106 TRP HE1 110 CYX HB2 4.50 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1686,1757, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 106 TRP HE1 110 CYX HB3 4.50 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1686,1758, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 106 TRP HE1 110 CYX QB 3.93
&rst
ixpk= 0, nxpk= 0, iat=1686, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1757,1758,
&end
#
# 106 TRP HE1 114 LEU QD1 5.19 (#SUP 0.93 #QF 0.31)
&rst
ixpk= 0, nxpk= 0, iat=1686, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2=1807,1808,1809,
&end
#
# 106 TRP HE1 114 LEU QD2 4.60 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat=1686, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1811,1812,1813,
&end
#
# 106 TRP HE3 107 LYS HA 3.57 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1695,1702, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 106 TRP HE3 107 LYS HN 4.22 (#SUP 1.00 #QF 0.98)
&rst
ixpk= 1, nxpk= 0, iat=1695,1700, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 106 TRP HE3 107 LYS QB 4.39 (#SUP 0.95 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1695, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2=1704,1705,
&end
#
# 106 TRP HE3 107 LYS QG 4.15
&rst
ixpk= 0, nxpk= 0, iat=1695, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1707,1708,
&end
#
# 106 TRP HN 106 TRP HB2 3.94 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1676,1680, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 106 TRP HN 106 TRP HB3 4.15 (#SUP 1.00 #QF 0.99)
&rst
ixpk= 1, nxpk= 0, iat=1676,1681, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 106 TRP HN 107 LYS HN 3.76 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1676,1700, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 106 TRP HN 108 ASN HN 4.73 (#SUP 0.89 #QF 0.26)
&rst
ixpk= 0, nxpk= 0, iat=1676,1722, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 106 TRP HZ3 107 LYS HA 4.41 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1693,1702, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 106 TRP HZ3 107 LYS QB 4.81 (#SUP 0.98 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1693, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1704,1705,
&end
#
# 106 TRP HZ3 107 LYS QG 4.50
&rst
ixpk= 0, nxpk= 0, iat=1693, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1707,1708,
&end
#
# 107 LYS HA 107 LYS QG 3.49
&rst
ixpk= 0, nxpk= 0, iat=1702, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1707,1708,
&end
#
# 107 LYS HA 110 CYX HN 5.03 (#SUP 0.50 #QF 0.50)
&rst
ixpk= 0, nxpk= 0, iat=1702,1753, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 107 LYS HA 111 GLN QE2 3.75
&rst
ixpk= 0, nxpk= 0, iat=1702, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2=1775,1776,
&end
#
# 107 LYS HA 111 GLN QG 4.93
&rst
ixpk= 0, nxpk= 0, iat=1702, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2=1770,1771,
&end
#
# 107 LYS HN 107 LYS QB 3.62 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat=1700, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=1704,1705,
&end
#
# 107 LYS HN 107 LYS QG 4.08
&rst
ixpk= 0, nxpk= 0, iat=1700, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1707,1708,
&end
#
# 107 LYS HN 108 ASN HN 3.69 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1700,1722, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 107 LYS QB 108 ASN HN 3.94 (#SUP 0.60 #QF 0.60)
&rst
ixpk= 0, nxpk= 0, iat= -1,1722, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1=1704,1705,
&end
#
# 107 LYS QG 108 ASN HA 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1724, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1707,1708,
&end
#
# 108 ASN HA 108 ASN HD21 4.89 (#SUP 1.00 #QF 0.57)
&rst
ixpk= 1, nxpk= 0, iat=1724,1731, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 108 ASN HA 108 ASN HD22 4.89 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1724,1732, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 108 ASN HN 108 ASN QB 3.12
&rst
ixpk= 0, nxpk= 0, iat=1722, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2=1726,1727,
&end
#
# 108 ASN HN 108 ASN QD2 4.60
&rst
ixpk= 0, nxpk= 0, iat=1722, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1731,1732,
&end
#
# 108 ASN HN 109 HIS HN 3.37 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=1722,1736, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 108 ASN HN 110 CYX HN 4.63 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat=1722,1753, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 108 ASN QB 109 HIS HN 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1736, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1726,1727,
&end
#
# 109 HIS HB2 110 CYX HN 4.87 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat=1740,1753, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 109 HIS HB3 110 CYX HN 4.87 (#SUP 0.86 #QF 0.21)
&rst
ixpk= 0, nxpk= 0, iat=1741,1753, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 109 HIS HN 109 HIS HD2 4.61 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat=1736,1749, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 109 HIS HN 109 HIS QB 3.61
&rst
ixpk= 0, nxpk= 0, iat=1736, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=1740,1741,
&end
#
# 109 HIS HN 110 CYX HN 3.20 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat=1736,1753, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 109 HIS HN 111 GLN HN 4.78 (#SUP 0.31 #QF 0.31)
&rst
ixpk= 0, nxpk= 0, iat=1736,1763, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 109 HIS QB 109 HIS HE1 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1,1745, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1=1740,1741,
&end
#
# 109 HIS QB 110 CYX HN 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1,1753, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1=1740,1741,
&end
#
# 110 CYX HB2 114 LEU QD2 3.95 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat=1757, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1811,1812,1813,
&end
#
# 110 CYX HB3 114 LEU QD2 3.95 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1758, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1811,1812,1813,
&end
#
# 110 CYX HN 110 CYX HB2 3.92 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat=1753,1757, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 110 CYX HN 110 CYX HB3 3.92 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1753,1758, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 110 CYX HN 110 CYX QB 3.36
&rst
ixpk= 0, nxpk= 0, iat=1753, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1757,1758,
&end
#
# 110 CYX HN 111 GLN HN 3.50 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1753,1763, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 110 CYX HN 111 GLN QE2 5.34
&rst
ixpk= 0, nxpk= 0, iat=1753, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1775,1776,
&end
#
# 110 CYX HN 111 GLN QG 5.12
&rst
ixpk= 0, nxpk= 0, iat=1753, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=1770,1771,
&end
#
# 110 CYX QB 111 GLN HN 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1,1763, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=1757,1758,
&end
#
# 110 CYX QB 111 GLN QE2 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1=1757,1758,
igr2=1775,1776,
&end
#
# 110 CYX QB 114 LEU QD2 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=1757,1758,
igr2=1811,1812,1813,
&end
#
# 111 GLN HA 111 GLN QE2 4.76
&rst
ixpk= 0, nxpk= 0, iat=1765, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1775,1776,
&end
#
# 111 GLN HN 111 GLN HB2 3.67 (#SUP 0.71 #QF 0.54)
&rst
ixpk= 0, nxpk= 0, iat=1763,1767, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 111 GLN HN 111 GLN HB3 3.67 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat=1763,1768, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 111 GLN HN 111 GLN QB 3.09
&rst
ixpk= 0, nxpk= 0, iat=1763, -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr2=1767,1768,
&end
#
# 111 GLN HN 111 GLN QE2 4.70
&rst
ixpk= 0, nxpk= 0, iat=1763, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1775,1776,
&end
#
# 111 GLN HN 111 GLN QG 4.12
&rst
ixpk= 0, nxpk= 0, iat=1763, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1770,1771,
&end
#
# 111 GLN HN 112 GLY HN 3.33 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1763,1780, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 111 GLN HN 112 GLY QA 5.34
&rst
ixpk= 0, nxpk= 0, iat=1763, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1782,1783,
&end
#
# 111 GLN QB 112 GLY HN 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1,1780, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1=1767,1768,
&end
#
# 112 GLY HN 113 SER HN 3.87 (#SUP 0.97 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1780,1787, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 112 GLY QA 113 SER HN 2.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1787, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,
igr1=1782,1783,
&end
#
# 113 SER HA 114 LEU HB2 4.90 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1789,1802, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 113 SER HA 114 LEU HN 2.67 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat=1789,1798, r1= 1.30, r2= 1.80, r3= 2.67, r4= 3.17, &end
#
# 113 SER HN 113 SER HB2 3.88 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1787,1791, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 113 SER HN 113 SER HB3 3.88 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1787,1792, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 113 SER HN 113 SER QB 3.10
&rst
ixpk= 0, nxpk= 0, iat=1787, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=1791,1792,
&end
#
# 113 SER QB 114 LEU HN 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1798, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1791,1792,
&end
#
# 114 LEU HA 114 LEU HG 4.26 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat=1800,1805, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 114 LEU HA 114 LEU QD1 4.06 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat=1800, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1807,1808,1809,
&end
#
# 114 LEU HA 114 LEU QD2 2.98 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat=1800, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2=1811,1812,1813,
&end
#
# 114 LEU HA 115 PRO HD2 3.37 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat=1800,1818, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 114 LEU HA 115 PRO HD3 3.18 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat=1800,1819, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 114 LEU HB2 114 LEU QD1 3.31 (#SUP 0.99 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1802, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=1807,1808,1809,
&end
#
# 114 LEU HB2 115 PRO HD2 3.90 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1802,1818, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 114 LEU HB2 115 PRO HD3 4.89 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1802,1819, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 114 LEU HB3 114 LEU QD1 3.67 (#SUP 0.97 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat=1803, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1807,1808,1809,
&end
#
# 114 LEU HB3 114 LEU QD2 3.86 (#SUP 0.97 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat=1803, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1811,1812,1813,
&end
#
# 114 LEU HB3 115 PRO HD2 3.39 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1803,1818, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 114 LEU HB3 115 PRO HD3 3.73 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1803,1819, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 114 LEU HN 114 LEU HB2 3.11 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1798,1802, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 114 LEU HN 114 LEU HB3 3.66 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1798,1803, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 114 LEU HN 114 LEU HG 3.15 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat=1798,1805, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 114 LEU HN 114 LEU QD1 3.87 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1798, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1807,1808,1809,
&end
#
# 114 LEU HN 114 LEU QD2 4.18 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1798, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1811,1812,1813,
&end
#
# 114 LEU HN 115 PRO HD2 4.96 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1798,1818, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 114 LEU QD2 115 PRO HD2 3.51 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1818, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1=1811,1812,1813,
&end
#
# 114 LEU QD2 115 PRO HD3 3.52 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1,1819, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1=1811,1812,1813,
&end
#
# 115 PRO HA 116 ASP HB2 4.81 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat=1827,1835, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 115 PRO HA 116 ASP HB3 4.81 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1827,1836, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 115 PRO HA 116 ASP HN 2.76 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1827,1831, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26, &end
#
# 115 PRO HA 116 ASP QB 4.18
&rst
ixpk= 0, nxpk= 0, iat=1827, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2=1835,1836,
&end
#
# 115 PRO HB2 116 ASP HN 3.94 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1824,1831, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 115 PRO HB3 116 ASP HN 3.94 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1825,1831, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 115 PRO QB 117 ILE QG2 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1824,1825,
igr2=1849,1850,1851,
&end
#
# 115 PRO QG 117 ILE QG2 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=1821,1822,
igr2=1849,1850,1851,
&end
#
# 116 ASP HA 117 ILE HG12 4.94 (#SUP 0.63 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat=1833,1853, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 116 ASP HA 117 ILE HN 2.77 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat=1833,1843, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27, &end
#
# 116 ASP HA 118 SER HN 3.81 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat=1833,1862, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 116 ASP HB2 117 ILE HN 4.62 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1835,1843, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 116 ASP HB3 117 ILE HN 4.62 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1836,1843, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 116 ASP HN 116 ASP HB2 3.20 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1831,1835, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 116 ASP HN 116 ASP HB3 3.20 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1831,1836, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 116 ASP HN 117 ILE HN 4.90 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1831,1843, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 116 ASP QB 117 ILE HN 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1843, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1=1835,1836,
&end
#
# 116 ASP QB 118 SER HN 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1862, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1835,1836,
&end
#
# 116 ASP QB 119 SER HN 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1873, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1835,1836,
&end
#
# 117 ILE HB 117 ILE QD1 3.53 (#SUP 0.62 #QF 0.62)
&rst
ixpk= 0, nxpk= 0, iat=1847, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1856,1857,1858,
&end
#
# 117 ILE HB 118 SER HN 4.51 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat=1847,1862, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 117 ILE HB 120 CYX HN 4.31 (#SUP 0.25 #QF 0.25)
&rst
ixpk= 0, nxpk= 0, iat=1847,1884, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 117 ILE HG12 118 SER HN 4.25 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1853,1862, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 117 ILE HG13 118 SER HA 4.69 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1854,1864, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 117 ILE HG13 118 SER HN 4.29 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1854,1862, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 117 ILE HN 117 ILE HB 4.02 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1843,1847, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 117 ILE HN 117 ILE HG12 3.22 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1843,1853, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 117 ILE HN 117 ILE HG13 3.77 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1843,1854, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 117 ILE HN 117 ILE QD1 3.98 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1843, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1856,1857,1858,
&end
#
# 117 ILE HN 117 ILE QG2 3.63 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1843, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2=1849,1850,1851,
&end
#
# 117 ILE HN 118 SER HN 2.89 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1843,1862, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 117 ILE HN 118 SER QB 5.11 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat=1843, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=1866,1867,
&end
#
# 117 ILE HN 119 SER HN 4.82 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1843,1873, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 117 ILE QD1 118 SER HN 4.59 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1862, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1856,1857,1858,
&end
#
# 117 ILE QG2 117 ILE HG12 3.03 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= -1,1853, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr1=1849,1850,1851,
&end
#
# 117 ILE QG2 117 ILE HG13 3.69 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,1854, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1=1849,1850,1851,
&end
#
# 117 ILE QG2 117 ILE QD1 2.95 (#SUP 0.55 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=1849,1850,1851,
igr2=1856,1857,1858,
&end
#
# 117 ILE QG2 118 SER HN 4.37 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,1862, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=1849,1850,1851,
&end
#
# 118 SER HA 120 CYX HN 4.31 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1864,1884, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 118 SER HN 118 SER QB 2.97 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat=1862, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr2=1866,1867,
&end
#
# 118 SER HN 119 SER HN 3.31 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1862,1873, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 118 SER HN 120 CYX HN 4.51 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1862,1884, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 119 SER HN 119 SER HB2 3.57 (#SUP 0.82 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat=1873,1877, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 119 SER HN 119 SER HB3 3.57 (#SUP 0.82 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat=1873,1878, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 119 SER HN 119 SER QB 2.93
&rst
ixpk= 0, nxpk= 0, iat=1873, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2=1877,1878,
&end
#
# 119 SER HN 120 CYX HN 2.99 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1873,1884, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 119 SER HN 120 CYX QB 5.34
&rst
ixpk= 0, nxpk= 0, iat=1873, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1888,1889,
&end
#
# 119 SER QB 120 CYX HN 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1884, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1=1877,1878,
&end
#
# 120 CYX HN 120 CYX QB 2.84
&rst
ixpk= 0, nxpk= 0, iat=1884, -1, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,
igr2=1888,1889,
&end
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