NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
555360 |
2rsx   |
11507 | cing | 1-original | 3 | AMBER | distance | NOE | simple |
# 6 GLY QA 7 ASP QB 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
rk2 = 32.0, rk3 = 32.0, ir6=1, ialtd=0,
igr1= 74, 75,
igr2= 83, 84,
&end
#
# 7 ASP HN 7 ASP QB 3.65
&rst
ixpk= 0, nxpk= 0, iat= 79, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 83, 84,
&end
#
# 7 ASP QB 122 ILE QD1 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 83, 84,
igr2=1908,1909,1910,
&end
#
# 7 ASP QB 150 TRP HE1 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1,2365, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 83, 84,
&end
#
# 7 ASP QB 150 TRP HZ2 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1,2368, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 83, 84,
&end
#
# 7 ASP QB 8 LEU HA 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 93, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 83, 84,
&end
#
# 7 ASP QB 8 LEU HB2 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 83, 84,
&end
#
# 7 ASP QB 8 LEU HN 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 91, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1= 83, 84,
&end
#
# 8 LEU HA 122 ILE QD1 4.54 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2=1908,1909,1910,
&end
#
# 8 LEU HA 124 TYR QE 5.50 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1938,1943,
&end
#
# 8 LEU HA 12 GLN HB2 4.44 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 93, 164, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 8 LEU HA 12 GLN HB3 4.36 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 93, 165, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 8 LEU HA 12 GLN QG 4.55 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 167, 168,
&end
#
# 8 LEU HA 13 ALA HN 5.50 (#SUP 0.85 #QF 0.62)
&rst
ixpk= 0, nxpk= 0, iat= 93, 177, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 LEU HA 150 TRP HE1 4.73 (#SUP 0.66 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat= 93,2365, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 8 LEU HA 8 LEU HG 3.96 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 93, 98, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 8 LEU HA 8 LEU QD1 3.74 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 100, 101, 102,
&end
#
# 8 LEU HA 8 LEU QD2 3.17 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 104, 105, 106,
&end
#
# 8 LEU HA 9 SER HN 3.27 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 93, 110, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 8 LEU HB2 122 ILE QD1 3.65 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1908,1909,1910,
&end
#
# 8 LEU HB2 124 TYR QE 5.03 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2=1938,1943,
&end
#
# 8 LEU HB2 150 TRP HD1 5.12 (#SUP 0.52 #QF 0.52)
&rst
ixpk= 0, nxpk= 0, iat= 95,2363, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 8 LEU HB2 150 TRP HE1 4.54 (#SUP 0.53 #QF 0.53)
&rst
ixpk= 0, nxpk= 0, iat= 95,2365, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 8 LEU HB2 150 TRP HZ2 5.26 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= 95,2368, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 8 LEU HB2 8 LEU QD2 3.88 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 104, 105, 106,
&end
#
# 8 LEU HB2 9 SER HN 4.35 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 95, 110, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 8 LEU HB3 124 TYR QE 3.90 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 96, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1938,1943,
&end
#
# 8 LEU HB3 8 LEU QD1 3.19 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 96, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 100, 101, 102,
&end
#
# 8 LEU HB3 8 LEU QD2 3.81 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 96, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 104, 105, 106,
&end
#
# 8 LEU HB3 9 SER HN 4.47 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 96, 110, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 8 LEU HG 124 TYR QE 5.35 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2=1938,1943,
&end
#
# 8 LEU HG 13 ALA HA 4.96 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 98, 179, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 8 LEU HG 13 ALA HN 4.40 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 98, 177, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 8 LEU HG 9 SER HN 4.40 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 98, 110, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 8 LEU HN 122 ILE HG13 5.44 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 91,1906, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 8 LEU HN 122 ILE QD1 3.41 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 91, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1908,1909,1910,
&end
#
# 8 LEU HN 122 ILE QG2 4.42 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 91, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1901,1902,1903,
&end
#
# 8 LEU HN 150 TRP HE1 4.76 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 91,2365, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 8 LEU HN 150 TRP HZ2 4.35 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 91,2368, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 8 LEU HN 8 LEU HB2 3.38 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 91, 95, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 8 LEU HN 8 LEU HB3 3.35 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 91, 96, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 8 LEU HN 8 LEU QD1 4.14 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 91, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 100, 101, 102,
&end
#
# 8 LEU HN 8 LEU QD2 4.48 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 91, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 104, 105, 106,
&end
#
# 8 LEU HN 9 SER HN 4.71 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 91, 110, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 8 LEU QD1 122 ILE HB 4.02 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1,1899, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 100, 101, 102,
&end
#
# 8 LEU QD1 122 ILE QD1 3.54 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 100, 101, 102,
igr2=1908,1909,1910,
&end
#
# 8 LEU QD1 122 ILE QG2 3.69 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 100, 101, 102,
igr2=1901,1902,1903,
&end
#
# 8 LEU QD1 124 TYR QD 4.17 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 100, 101, 102,
igr2=1936,1945,
&end
#
# 8 LEU QD1 124 TYR QE 3.89 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 100, 101, 102,
igr2=1938,1943,
&end
#
# 8 LEU QD1 12 GLN HB2 4.66 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 100, 101, 102,
&end
#
# 8 LEU QD1 12 GLN HB3 4.53 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1, 165, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 100, 101, 102,
&end
#
# 8 LEU QD1 12 GLN QG 5.26 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1= 100, 101, 102,
igr2= 167, 168,
&end
#
# 8 LEU QD1 13 ALA HA 3.62 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1= 100, 101, 102,
&end
#
# 8 LEU QD1 13 ALA HN 4.45 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, 177, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 100, 101, 102,
&end
#
# 8 LEU QD1 13 ALA QB 3.40 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 100, 101, 102,
igr2= 181, 182, 183,
&end
#
# 8 LEU QD1 143 PHE HA 4.92 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,2226, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 100, 101, 102,
&end
#
# 8 LEU QD1 143 PHE HB2 3.83 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat= -1,2228, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 100, 101, 102,
&end
#
# 8 LEU QD1 143 PHE HB3 3.86 (#SUP 0.74 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat= -1,2229, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 100, 101, 102,
&end
#
# 8 LEU QD1 143 PHE HN 5.12 (#SUP 0.97 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat= -1,2224, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 100, 101, 102,
&end
#
# 8 LEU QD1 143 PHE QD 3.46 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 100, 101, 102,
igr2=2232,2240,
&end
#
# 8 LEU QD1 143 PHE QE 4.51 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 100, 101, 102,
igr2=2234,2238,
&end
#
# 8 LEU QD1 150 TRP HB2 4.72 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= -1,2359, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 100, 101, 102,
&end
#
# 8 LEU QD1 150 TRP HB3 4.66 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= -1,2360, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 100, 101, 102,
&end
#
# 8 LEU QD1 150 TRP HD1 4.47 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= -1,2363, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 100, 101, 102,
&end
#
# 8 LEU QD1 150 TRP HE1 5.50 (#SUP 0.97 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat= -1,2365, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 100, 101, 102,
&end
#
# 8 LEU QD1 150 TRP HE3 3.89 (#SUP 0.95 #QF 0.41)
&rst
ixpk= 0, nxpk= 0, iat= -1,2374, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 100, 101, 102,
&end
#
# 8 LEU QD1 16 LEU QD1 3.67 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 100, 101, 102,
igr2= 232, 233, 234,
&end
#
# 8 LEU QD1 16 LEU QD2 4.17 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 100, 101, 102,
igr2= 236, 237, 238,
&end
#
# 8 LEU QD1 9 SER HN 4.63 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, 110, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 100, 101, 102,
&end
#
# 8 LEU QD2 122 ILE HB 4.69 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= -1,1899, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 104, 105, 106,
&end
#
# 8 LEU QD2 122 ILE QD1 4.29 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1= 104, 105, 106,
igr2=1908,1909,1910,
&end
#
# 8 LEU QD2 124 TYR QE 4.56 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 104, 105, 106,
igr2=1938,1943,
&end
#
# 8 LEU QD2 12 GLN HA 4.54 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 104, 105, 106,
&end
#
# 8 LEU QD2 12 GLN HB2 3.49 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 104, 105, 106,
&end
#
# 8 LEU QD2 12 GLN HB3 3.29 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1, 165, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1= 104, 105, 106,
&end
#
# 8 LEU QD2 12 GLN HN 4.48 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 104, 105, 106,
&end
#
# 8 LEU QD2 12 GLN QG 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= 104, 105, 106,
igr2= 167, 168,
&end
#
# 8 LEU QD2 13 ALA HA 3.72 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 104, 105, 106,
&end
#
# 8 LEU QD2 13 ALA HN 3.98 (#SUP 0.99 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1, 177, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 104, 105, 106,
&end
#
# 8 LEU QD2 13 ALA QB 3.85 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 104, 105, 106,
igr2= 181, 182, 183,
&end
#
# 8 LEU QD2 143 PHE QD 4.51 (#SUP 0.99 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 104, 105, 106,
igr2=2232,2240,
&end
#
# 8 LEU QD2 143 PHE QE 4.96 (#SUP 0.99 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1= 104, 105, 106,
igr2=2234,2238,
&end
#
# 8 LEU QD2 150 TRP HB3 5.13 (#SUP 0.99 #QF 0.46)
&rst
ixpk= 0, nxpk= 0, iat= -1,2360, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 104, 105, 106,
&end
#
# 8 LEU QD2 16 LEU HG 4.66 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1, 230, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 104, 105, 106,
&end
#
# 8 LEU QD2 16 LEU QD1 3.21 (#SUP 0.96 #QF 0.32)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,
igr1= 104, 105, 106,
igr2= 232, 233, 234,
&end
#
# 8 LEU QD2 9 SER HN 3.73 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, 110, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 104, 105, 106,
&end
#
# 9 SER HA 10 GLN HN 3.54 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 112, 121, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 9 SER HN 12 GLN HB2 3.63 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 110, 164, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 9 SER HN 12 GLN HB3 4.08 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 110, 165, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 9 SER HN 12 GLN HN 4.34 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 110, 160, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 9 SER HN 12 GLN QG 4.22 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 110, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 167, 168,
&end
#
# 9 SER HN 13 ALA HN 4.80 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 110, 177, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 9 SER HN 9 SER HB2 3.88 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 110, 114, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 9 SER HN 9 SER HB3 3.88 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 110, 115, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 9 SER HN 9 SER QB 3.29
&rst
ixpk= 0, nxpk= 0, iat= 110, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 114, 115,
&end
#
# 9 SER QB 10 GLN HN 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 121, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 114, 115,
&end
#
# 9 SER QB 11 LYS HN 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 138, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 114, 115,
&end
#
# 9 SER QB 12 GLN HN 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 114, 115,
&end
#
# 10 GLN HA 10 GLN HG2 3.78 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 123, 128, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 10 GLN HA 10 GLN HG3 3.77 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 123, 129, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 10 GLN HA 112 ALA QB 3.92 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1742,1743,1744,
&end
#
# 10 GLN HA 124 TYR QD 4.72 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1936,1945,
&end
#
# 10 GLN HA 124 TYR QE 3.90 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1938,1943,
&end
#
# 10 GLN HA 12 GLN HB2 5.50 (#SUP 0.54 #QF 0.35)
&rst
ixpk= 0, nxpk= 0, iat= 123, 164, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 GLN HA 13 ALA HN 4.05 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 123, 177, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 10 GLN HA 13 ALA QB 3.22 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 181, 182, 183,
&end
#
# 10 GLN HA 14 LEU HB3 5.50 (#SUP 0.54 #QF 0.35)
&rst
ixpk= 0, nxpk= 0, iat= 123, 192, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 GLN HA 14 LEU HN 4.54 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 123, 187, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 10 GLN HE21 112 ALA HN 4.97 (#SUP 0.56 #QF 0.56)
&rst
ixpk= 0, nxpk= 0, iat= 133,1738, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 10 GLN HE21 112 ALA QB 4.82 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 133, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=1742,1743,1744,
&end
#
# 10 GLN HG2 10 GLN HE22 4.01 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 128, 134, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 10 GLN HG2 112 ALA QB 3.57 (#SUP 0.99 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=1742,1743,1744,
&end
#
# 10 GLN HG2 113 LYS HN 5.20 (#SUP 1.00 #QF 0.83)
&rst
ixpk= 1, nxpk= 0, iat= 128,1748, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 10 GLN HG2 114 LEU HB2 5.33 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 128,1774, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 10 GLN HG2 11 LYS HN 5.46 (#SUP 0.99 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 128, 138, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 10 GLN HG2 124 TYR QD 4.63 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1936,1945,
&end
#
# 10 GLN HG2 124 TYR QE 3.63 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1938,1943,
&end
#
# 10 GLN HG2 13 ALA QB 5.02 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 181, 182, 183,
&end
#
# 10 GLN HG3 10 GLN HE22 4.04 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 129, 134, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 10 GLN HG3 112 ALA QB 4.37 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1742,1743,1744,
&end
#
# 10 GLN HG3 114 LEU HB2 4.74 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 129,1774, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 10 GLN HG3 11 LYS HN 4.78 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 129, 138, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 10 GLN HG3 124 TYR QD 4.59 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1936,1945,
&end
#
# 10 GLN HG3 124 TYR QE 3.80 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1938,1943,
&end
#
# 10 GLN HG3 13 ALA QB 5.09 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 181, 182, 183,
&end
#
# 10 GLN HN 10 GLN HG2 4.75 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 121, 128, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 10 GLN HN 10 GLN HG3 4.38 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 121, 129, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 10 GLN HN 10 GLN QB 3.65 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 125, 126,
&end
#
# 10 GLN HN 11 LYS HN 4.14 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 121, 138, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 10 GLN QB 10 GLN HE21 4.12 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, 133, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 125, 126,
&end
#
# 10 GLN QB 10 GLN HE22 4.46 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, 134, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 125, 126,
&end
#
# 10 GLN QB 10 GLN HG2 3.00 (#SUP 0.74 #QF 0.57)
&rst
ixpk= 0, nxpk= 0, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 125, 126,
&end
#
# 10 GLN QB 112 ALA HN 5.46 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1738, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 125, 126,
&end
#
# 10 GLN QB 112 ALA QB 3.63 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 125, 126,
igr2=1742,1743,1744,
&end
#
# 10 GLN QB 11 LYS HN 3.44 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1, 138, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1= 125, 126,
&end
#
# 10 GLN QB 124 TYR QE 4.03 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 125, 126,
igr2=1938,1943,
&end
#
# 10 GLN QB 12 GLN HN 5.31 (#SUP 0.97 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 125, 126,
&end
#
# 10 GLN QB 13 ALA HN 5.50 (#SUP 0.99 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, 177, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 125, 126,
&end
#
# 10 GLN QB 13 ALA QB 4.59 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1= 125, 126,
igr2= 181, 182, 183,
&end
#
# 11 LYS HA 11 LYS HG2 3.96 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 140, 145, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 11 LYS HA 11 LYS HG3 3.96 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 140, 146, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 11 LYS HA 11 LYS QD 3.52 (#SUP 0.96 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 140, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 148, 149,
&end
#
# 11 LYS HA 11 LYS QG 3.27
&rst
ixpk= 0, nxpk= 0, iat= 140, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2= 145, 146,
&end
#
# 11 LYS HA 13 ALA QB 5.48 (#SUP 0.97 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat= 140, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2= 181, 182, 183,
&end
#
# 11 LYS HA 14 LEU HB2 4.14 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 140, 191, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 11 LYS HA 14 LEU HB3 3.44 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 140, 192, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 11 LYS HA 14 LEU HG 4.93 (#SUP 0.38 #QF 0.38)
&rst
ixpk= 0, nxpk= 0, iat= 140, 194, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 11 LYS HA 14 LEU HN 3.97 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= 140, 187, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 11 LYS HA 14 LEU QD1 4.29 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 140, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 196, 197, 198,
&end
#
# 11 LYS HA 15 GLN HN 4.74 (#SUP 0.99 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 140, 206, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 11 LYS HB2 12 GLN HN 3.97 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 142, 160, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 11 LYS HB3 12 GLN HN 3.97 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 143, 160, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 11 LYS HG2 12 GLN HN 4.52 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 145, 160, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 11 LYS HG2 15 GLN HG3 4.71 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= 145, 214, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 11 LYS HG3 12 GLN HN 4.52 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 146, 160, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 11 LYS HG3 15 GLN HG3 4.71 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 146, 214, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 11 LYS HN 11 LYS HB2 3.31 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 138, 142, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 11 LYS HN 11 LYS HB3 3.31 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 138, 143, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 11 LYS HN 11 LYS HG2 4.70 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 138, 145, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 11 LYS HN 11 LYS HG3 4.70 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 138, 146, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 11 LYS HN 11 LYS QG 4.07
&rst
ixpk= 1, nxpk= 0, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2= 145, 146,
&end
#
# 11 LYS HN 12 GLN HN 3.58 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 138, 160, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 11 LYS HN 12 GLN QG 5.50 (#SUP 0.99 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 167, 168,
&end
#
# 11 LYS HN 13 ALA HN 4.73 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 138, 177, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 11 LYS QB 12 GLN HN 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 142, 143,
&end
#
# 11 LYS QD 12 GLN HN 4.40 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 148, 149,
&end
#
# 11 LYS QD 15 GLN HG2 4.14 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 148, 149,
&end
#
# 11 LYS QD 15 GLN HG3 4.08 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat= -1, 214, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 148, 149,
&end
#
# 11 LYS QD 15 GLN QE2 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 148, 149,
igr2= 218, 219,
&end
#
# 11 LYS QG 11 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= 145, 146,
igr2= 151, 152,
&end
#
# 11 LYS QG 12 GLN HN 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 145, 146,
&end
#
# 11 LYS QG 15 GLN HG2 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 145, 146,
&end
#
# 11 LYS QG 15 GLN HG3 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 214, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 145, 146,
&end
#
# 12 GLN HA 12 GLN QG 3.07 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr2= 167, 168,
&end
#
# 12 GLN HA 13 ALA QB 5.50 (#SUP 0.97 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 181, 182, 183,
&end
#
# 12 GLN HA 15 GLN HG3 3.84 (#SUP 0.94 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat= 162, 214, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 12 GLN HA 15 GLN HN 3.90 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 162, 206, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 12 GLN HA 15 GLN QB 3.11 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2= 210, 211,
&end
#
# 12 GLN HA 16 LEU HN 4.38 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= 162, 223, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 12 GLN HA 16 LEU QD1 4.40 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 232, 233, 234,
&end
#
# 12 GLN HB2 12 GLN QE2 4.09
&rst
ixpk= 0, nxpk= 0, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 172, 173,
&end
#
# 12 GLN HB2 13 ALA HN 3.61 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 164, 177, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 12 GLN HB2 13 ALA QB 4.80 (#SUP 0.99 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 181, 182, 183,
&end
#
# 12 GLN HB3 13 ALA HN 3.73 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 165, 177, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 12 GLN HN 12 GLN HB2 3.75 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 160, 164, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 12 GLN HN 12 GLN HB3 3.69 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 160, 165, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 12 GLN HN 12 GLN QG 3.29 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 167, 168,
&end
#
# 12 GLN HN 13 ALA HN 3.38 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 160, 177, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 12 GLN HN 13 ALA QB 4.65 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 181, 182, 183,
&end
#
# 12 GLN HN 14 LEU HN 5.14 (#SUP 0.98 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 160, 187, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 12 GLN HN 15 GLN HN 5.50 (#SUP 0.98 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 160, 206, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 GLN HN 15 GLN QB 5.50 (#SUP 0.97 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 210, 211,
&end
#
# 12 GLN QG 12 GLN HE21 3.51 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1, 172, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1= 167, 168,
&end
#
# 12 GLN QG 12 GLN HE22 3.51 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1, 173, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1= 167, 168,
&end
#
# 12 GLN QG 12 GLN QE2 3.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 167, 168,
igr2= 172, 173,
&end
#
# 12 GLN QG 13 ALA HN 4.22 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, 177, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 167, 168,
&end
#
# 12 GLN QG 16 LEU QD1 4.61 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 167, 168,
igr2= 232, 233, 234,
&end
#
# 13 ALA HA 126 PHE HZ 4.74 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 179,1976, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 13 ALA HA 143 PHE HZ 4.22 (#SUP 0.96 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= 179,2236, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 13 ALA HA 143 PHE QE 3.90 (#SUP 0.96 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=2234,2238,
&end
#
# 13 ALA HA 16 LEU HB2 3.81 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 179, 227, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 13 ALA HA 16 LEU HB3 4.41 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 179, 228, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 13 ALA HA 16 LEU HG 4.28 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 179, 230, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 13 ALA HA 16 LEU HN 4.15 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 179, 223, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 13 ALA HA 16 LEU QD1 3.75 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 232, 233, 234,
&end
#
# 13 ALA HA 16 LEU QD2 4.76 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 236, 237, 238,
&end
#
# 13 ALA HA 17 ALA HN 4.65 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 179, 242, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 13 ALA HN 13 ALA QB 3.03 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 181, 182, 183,
&end
#
# 13 ALA HN 143 PHE QE 5.50 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2234,2238,
&end
#
# 13 ALA HN 14 LEU HA 5.50 (#SUP 0.85 #QF 0.62)
&rst
ixpk= 0, nxpk= 0, iat= 177, 189, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 ALA HN 14 LEU HN 3.43 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 177, 187, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 13 ALA HN 15 GLN QB 5.50 (#SUP 0.99 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 210, 211,
&end
#
# 13 ALA HN 16 LEU QD1 4.30 (#SUP 0.56 #QF 0.56)
&rst
ixpk= 0, nxpk= 0, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 232, 233, 234,
&end
#
# 13 ALA QB 124 TYR HB2 4.42 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,1932, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 181, 182, 183,
&end
#
# 13 ALA QB 124 TYR HB3 4.42 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1933, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 181, 182, 183,
&end
#
# 13 ALA QB 124 TYR QB 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 181, 182, 183,
igr2=1932,1933,
&end
#
# 13 ALA QB 124 TYR QD 3.63 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 181, 182, 183,
igr2=1936,1945,
&end
#
# 13 ALA QB 124 TYR QE 3.74 (#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= 181, 182, 183,
igr2=1938,1943,
&end
#
# 13 ALA QB 126 PHE HZ 3.38 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1976, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 181, 182, 183,
&end
#
# 13 ALA QB 126 PHE QE 3.92 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 181, 182, 183,
igr2=1974,1978,
&end
#
# 13 ALA QB 143 PHE HZ 3.66 (#SUP 0.95 #QF 0.56)
&rst
ixpk= 0, nxpk= 0, iat= -1,2236, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 181, 182, 183,
&end
#
# 13 ALA QB 143 PHE QE 3.32 (#SUP 0.95 #QF 0.56)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 181, 182, 183,
igr2=2234,2238,
&end
#
# 13 ALA QB 14 LEU HA 4.25 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1, 189, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 181, 182, 183,
&end
#
# 13 ALA QB 14 LEU HB2 4.19 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= -1, 191, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 181, 182, 183,
&end
#
# 13 ALA QB 14 LEU HB3 5.25 (#SUP 0.99 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= -1, 192, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 181, 182, 183,
&end
#
# 13 ALA QB 14 LEU HN 3.30 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, 187, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 181, 182, 183,
&end
#
# 13 ALA QB 16 LEU HB2 4.43 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= -1, 227, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 181, 182, 183,
&end
#
# 13 ALA QB 16 LEU HN 4.83 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, 223, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 181, 182, 183,
&end
#
# 13 ALA QB 17 ALA HN 4.97 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 181, 182, 183,
&end
#
# 13 ALA QB 17 ALA QB 4.50 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 181, 182, 183,
igr2= 246, 247, 248,
&end
#
# 14 LEU HA 112 ALA QB 4.52 (#SUP 0.96 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1742,1743,1744,
&end
#
# 14 LEU HA 126 PHE HZ 3.87 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 189,1976, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 14 LEU HA 126 PHE QD 4.40 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1972,1980,
&end
#
# 14 LEU HA 126 PHE QE 3.51 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=1974,1978,
&end
#
# 14 LEU HA 14 LEU HG 3.82 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 189, 194, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 14 LEU HA 14 LEU QD1 3.38 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 196, 197, 198,
&end
#
# 14 LEU HA 14 LEU QD2 2.93 (#SUP 0.99 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2= 200, 201, 202,
&end
#
# 14 LEU HA 17 ALA HN 4.07 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 189, 242, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 14 LEU HA 17 ALA QB 3.14 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 246, 247, 248,
&end
#
# 14 LEU HB2 112 ALA QB 3.97 (#SUP 0.74 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat= 191, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1742,1743,1744,
&end
#
# 14 LEU HB2 126 PHE HZ 4.66 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 191,1976, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 14 LEU HB2 126 PHE QE 4.27 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 191, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1974,1978,
&end
#
# 14 LEU HB2 14 LEU QD2 3.08 (#SUP 0.98 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= 191, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 200, 201, 202,
&end
#
# 14 LEU HB3 14 LEU QD1 2.95 (#SUP 0.97 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2= 196, 197, 198,
&end
#
# 14 LEU HB3 15 GLN HN 3.58 (#SUP 0.99 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 192, 206, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 14 LEU HN 112 ALA QB 4.50 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 187, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1742,1743,1744,
&end
#
# 14 LEU HN 126 PHE HZ 4.63 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 187,1976, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 14 LEU HN 126 PHE QE 4.25 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 187, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1974,1978,
&end
#
# 14 LEU HN 14 LEU HB2 3.06 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 187, 191, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 14 LEU HN 14 LEU HB3 3.41 (#SUP 0.99 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 187, 192, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 14 LEU HN 14 LEU HG 4.77 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat= 187, 194, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 14 LEU HN 14 LEU QD2 3.98 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 187, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 200, 201, 202,
&end
#
# 14 LEU HN 17 ALA QB 5.23 (#SUP 1.00 #QF 0.91)
&rst
ixpk= 1, nxpk= 0, iat= 187, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2= 246, 247, 248,
&end
#
# 14 LEU QD1 108 LYS HA 4.32 (#SUP 0.42 #QF 0.42)
&rst
ixpk= 0, nxpk= 0, iat= -1,1671, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 196, 197, 198,
&end
#
# 14 LEU QD1 110 SER HG 4.86 (#SUP 0.33 #QF 0.33)
&rst
ixpk= 0, nxpk= 0, iat= -1,1720, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 196, 197, 198,
&end
#
# 14 LEU QD1 112 ALA HN 5.50 (#SUP 0.69 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat= -1,1738, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 196, 197, 198,
&end
#
# 14 LEU QD1 112 ALA QB 4.85 (#SUP 0.60 #QF 0.60)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1= 196, 197, 198,
igr2=1742,1743,1744,
&end
#
# 14 LEU QD1 126 PHE HZ 5.06 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,1976, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 196, 197, 198,
&end
#
# 14 LEU QD1 126 PHE QE 4.38 (#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= 196, 197, 198,
igr2=1974,1978,
&end
#
# 14 LEU QD1 15 GLN HG2 4.49 (#SUP 0.62 #QF 0.62)
&rst
ixpk= 0, nxpk= 0, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 196, 197, 198,
&end
#
# 14 LEU QD1 15 GLN HG3 4.65 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= -1, 214, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 196, 197, 198,
&end
#
# 14 LEU QD1 15 GLN HN 3.49 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= -1, 206, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 196, 197, 198,
&end
#
# 14 LEU QD1 15 GLN QE2 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 196, 197, 198,
igr2= 218, 219,
&end
#
# 14 LEU QD1 17 ALA HN 4.92 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 196, 197, 198,
&end
#
# 14 LEU QD1 18 LEU HG 3.40 (#SUP 0.97 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 196, 197, 198,
&end
#
# 14 LEU QD1 18 LEU HN 4.61 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= -1, 252, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 196, 197, 198,
&end
#
# 14 LEU QD2 107 TRP HB2 5.50 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1649, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 200, 201, 202,
&end
#
# 14 LEU QD2 107 TRP HB3 4.26 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat= -1,1650, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 200, 201, 202,
&end
#
# 14 LEU QD2 108 LYS HA 4.65 (#SUP 0.33 #QF 0.33)
&rst
ixpk= 0, nxpk= 0, iat= -1,1671, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 200, 201, 202,
&end
#
# 14 LEU QD2 110 SER HB2 4.41 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= -1,1717, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 200, 201, 202,
&end
#
# 14 LEU QD2 110 SER HB3 4.87 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= -1,1718, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 200, 201, 202,
&end
#
# 14 LEU QD2 110 SER HG 3.45 (#SUP 0.47 #QF 0.47)
&rst
ixpk= 0, nxpk= 0, iat= -1,1720, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 200, 201, 202,
&end
#
# 14 LEU QD2 110 SER HN 4.42 (#SUP 0.54 #QF 0.54)
&rst
ixpk= 0, nxpk= 0, iat= -1,1713, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 200, 201, 202,
&end
#
# 14 LEU QD2 111 THR HN 4.66 (#SUP 0.89 #QF 0.28)
&rst
ixpk= 0, nxpk= 0, iat= -1,1724, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 200, 201, 202,
&end
#
# 14 LEU QD2 112 ALA HN 5.43 (#SUP 0.89 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= -1,1738, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 200, 201, 202,
&end
#
# 14 LEU QD2 126 PHE HZ 4.13 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1976, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 200, 201, 202,
&end
#
# 14 LEU QD2 126 PHE QD 3.72 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 200, 201, 202,
igr2=1972,1980,
&end
#
# 14 LEU QD2 126 PHE QE 3.27 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 200, 201, 202,
igr2=1974,1978,
&end
#
# 14 LEU QD2 15 GLN HA 4.32 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= -1, 208, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 200, 201, 202,
&end
#
# 14 LEU QD2 17 ALA HN 5.27 (#SUP 0.89 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1= 200, 201, 202,
&end
#
# 14 LEU QD2 18 LEU HG 2.92 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr1= 200, 201, 202,
&end
#
# 14 LEU QD2 18 LEU HN 4.03 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= -1, 252, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 200, 201, 202,
&end
#
# 15 GLN HA 15 GLN HG2 3.24 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 208, 213, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 15 GLN HA 15 GLN HG3 3.82 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 208, 214, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 15 GLN HA 15 GLN QB 2.74 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,
igr2= 210, 211,
&end
#
# 15 GLN HA 17 ALA HN 4.58 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 208, 242, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 15 GLN HA 18 LEU HB2 3.85 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 208, 256, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 15 GLN HA 18 LEU HB3 4.81 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 208, 257, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 15 GLN HA 18 LEU HG 3.71 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 208, 259, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 15 GLN HA 18 LEU HN 3.99 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 208, 252, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 15 GLN HA 18 LEU QD1 3.39 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 261, 262, 263,
&end
#
# 15 GLN HA 18 LEU QD2 5.10 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 265, 266, 267,
&end
#
# 15 GLN HA 19 SER HN 4.64 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 208, 271, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 15 GLN HG2 15 GLN QE2 3.38
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 218, 219,
&end
#
# 15 GLN HG2 16 LEU HN 4.70 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 213, 223, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 15 GLN HG2 18 LEU QD1 4.16 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 261, 262, 263,
&end
#
# 15 GLN HG3 16 LEU HN 4.64 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 214, 223, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 15 GLN HG3 18 LEU QD1 5.33 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat= 214, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2= 261, 262, 263,
&end
#
# 15 GLN HN 15 GLN HG2 3.39 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 206, 213, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 15 GLN HN 15 GLN HG3 3.55 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 206, 214, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 15 GLN HN 15 GLN QB 2.89 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 206, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2= 210, 211,
&end
#
# 15 GLN HN 16 LEU HN 3.42 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 206, 223, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 15 GLN HN 17 ALA HN 4.43 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 206, 242, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 15 GLN HN 17 ALA QB 5.50 (#SUP 1.00 #QF 0.91)
&rst
ixpk= 1, nxpk= 0, iat= 206, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 246, 247, 248,
&end
#
# 15 GLN HN 18 LEU QD1 4.67 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 206, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 261, 262, 263,
&end
#
# 15 GLN QB 15 GLN HG2 2.84 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,
igr1= 210, 211,
&end
#
# 15 GLN QB 15 GLN HG3 2.82 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, 214, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
igr1= 210, 211,
&end
#
# 15 GLN QB 16 LEU HA 3.96 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 210, 211,
&end
#
# 15 GLN QB 16 LEU HG 4.31 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1, 230, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 210, 211,
&end
#
# 15 GLN QB 16 LEU HN 3.32 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, 223, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr1= 210, 211,
&end
#
# 15 GLN QB 16 LEU QD2 4.46 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 210, 211,
igr2= 236, 237, 238,
&end
#
# 15 GLN QB 17 ALA HN 4.64 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 210, 211,
&end
#
# 15 GLN QB 18 LEU QD1 4.50 (#SUP 0.61 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 210, 211,
igr2= 261, 262, 263,
&end
#
# 16 LEU HA 143 PHE QE 4.66 (#SUP 0.63 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2=2234,2238,
&end
#
# 16 LEU HA 16 LEU HG 3.68 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 225, 230, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 16 LEU HA 16 LEU QD1 4.10 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 232, 233, 234,
&end
#
# 16 LEU HA 16 LEU QD2 3.01 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2= 236, 237, 238,
&end
#
# 16 LEU HA 18 LEU HN 5.50 (#SUP 0.98 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= 225, 252, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 LEU HA 19 SER HN 4.04 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 225, 271, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 16 LEU HA 19 SER QB 3.48
&rst
ixpk= 0, nxpk= 0, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2= 275, 276,
&end
#
# 16 LEU HA 20 ALA HN 4.78 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat= 225, 282, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 16 LEU HA 72 ILE QD1 5.06 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2=1110,1111,1112,
&end
#
# 16 LEU HB2 143 PHE HZ 4.78 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 227,2236, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 16 LEU HB2 143 PHE QE 3.64 (#SUP 1.00 #QF 0.70)
&rst
ixpk= 1, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2=2234,2238,
&end
#
# 16 LEU HB2 16 LEU QD1 3.31 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 232, 233, 234,
&end
#
# 16 LEU HB2 17 ALA HN 3.76 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 227, 242, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 16 LEU HB3 143 PHE HZ 5.01 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 228,2236, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 16 LEU HB3 143 PHE QD 4.05 (#SUP 0.95 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 228, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=2232,2240,
&end
#
# 16 LEU HB3 143 PHE QE 3.44 (#SUP 0.99 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat= 228, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2=2234,2238,
&end
#
# 16 LEU HB3 16 LEU QD2 3.05 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 228, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2= 236, 237, 238,
&end
#
# 16 LEU HB3 17 ALA HN 3.78 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 228, 242, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 16 LEU HB3 19 SER QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 228, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 275, 276,
&end
#
# 16 LEU HG 143 PHE QD 5.29 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 230, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=2232,2240,
&end
#
# 16 LEU HG 143 PHE QE 4.78 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 230, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=2234,2238,
&end
#
# 16 LEU HG 17 ALA HN 4.54 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= 230, 242, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 16 LEU HN 143 PHE QE 4.91 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 223, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=2234,2238,
&end
#
# 16 LEU HN 16 LEU HB2 3.39 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 223, 227, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 16 LEU HN 16 LEU HB3 3.62 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 223, 228, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 16 LEU HN 16 LEU HG 3.46 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 223, 230, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 16 LEU HN 16 LEU QD1 4.01 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 223, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 232, 233, 234,
&end
#
# 16 LEU HN 16 LEU QD2 3.80 (#SUP 0.66 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat= 223, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 236, 237, 238,
&end
#
# 16 LEU HN 17 ALA HN 3.46 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 223, 242, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 16 LEU HN 17 ALA QB 4.67 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 223, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 246, 247, 248,
&end
#
# 16 LEU QD1 143 PHE QD 3.54 (#SUP 0.98 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 232, 233, 234,
igr2=2232,2240,
&end
#
# 16 LEU QD1 143 PHE QE 3.90 (#SUP 0.98 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 232, 233, 234,
igr2=2234,2238,
&end
#
# 16 LEU QD1 150 TRP HB2 3.49 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1,2359, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 232, 233, 234,
&end
#
# 16 LEU QD1 150 TRP HB3 3.61 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= -1,2360, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 232, 233, 234,
&end
#
# 16 LEU QD1 17 ALA HN 4.73 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 232, 233, 234,
&end
#
# 16 LEU QD2 143 PHE QD 3.73 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 236, 237, 238,
igr2=2232,2240,
&end
#
# 16 LEU QD2 143 PHE QE 4.20 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 236, 237, 238,
igr2=2234,2238,
&end
#
# 16 LEU QD2 150 TRP HB2 3.61 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1,2359, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 236, 237, 238,
&end
#
# 16 LEU QD2 150 TRP HB3 4.32 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,2360, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 236, 237, 238,
&end
#
# 16 LEU QD2 150 TRP HN 4.91 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= -1,2355, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 236, 237, 238,
&end
#
# 16 LEU QD2 17 ALA HN 4.96 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 236, 237, 238,
&end
#
# 17 ALA HA 141 VAL QG1 4.67 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2200,2201,2202,
&end
#
# 17 ALA HA 143 PHE QE 4.15 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=2234,2238,
&end
#
# 17 ALA HA 152 VAL QG1 5.15 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2=2407,2408,2409,
&end
#
# 17 ALA HA 152 VAL QG2 5.15 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2=2411,2412,2413,
&end
#
# 17 ALA HA 152 VAL QQG 3.97
&rst
ixpk= 0, nxpk= 0, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2=2407,2408,2409,2411,2412,2413,
&end
#
# 17 ALA HA 158 VAL HB 4.78 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= 244,2494, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 17 ALA HA 158 VAL QG1 4.07 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=2496,2497,2498,
&end
#
# 17 ALA HA 158 VAL QG2 3.32 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2=2500,2501,2502,
&end
#
# 17 ALA HA 20 ALA HN 3.96 (#SUP 1.00 #QF 0.78)
&rst
ixpk= 1, nxpk= 0, iat= 244, 282, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 17 ALA HA 20 ALA QB 3.18 (#SUP 1.00 #QF 0.83)
&rst
ixpk= 1, nxpk= 0, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 286, 287, 288,
&end
#
# 17 ALA HA 21 ARG HN 4.60 (#SUP 0.92 #QF 0.47)
&rst
ixpk= 0, nxpk= 0, iat= 244, 292, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 17 ALA HN 126 PHE HZ 4.76 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 242,1976, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 17 ALA HN 126 PHE QE 5.07 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1974,1978,
&end
#
# 17 ALA HN 143 PHE HZ 4.48 (#SUP 0.91 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= 242,2236, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 17 ALA HN 143 PHE QE 4.05 (#SUP 0.91 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=2234,2238,
&end
#
# 17 ALA HN 152 VAL QQG 5.16
&rst
ixpk= 0, nxpk= 0, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr2=2407,2408,2409,2411,2412,2413,
&end
#
# 17 ALA HN 158 VAL QG2 4.48 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=2500,2501,2502,
&end
#
# 17 ALA HN 17 ALA QB 3.00 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 246, 247, 248,
&end
#
# 17 ALA HN 18 LEU HG 4.97 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 242, 259, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 17 ALA HN 18 LEU HN 3.65 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 242, 252, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 17 ALA HN 19 SER HN 4.73 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 242, 271, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 17 ALA QB 107 TRP HE3 3.80 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= -1,1664, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 246, 247, 248,
&end
#
# 17 ALA QB 107 TRP HH2 4.79 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1660, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 246, 247, 248,
&end
#
# 17 ALA QB 107 TRP HZ3 4.30 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1662, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 246, 247, 248,
&end
#
# 17 ALA QB 126 PHE HZ 3.46 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,1976, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 246, 247, 248,
&end
#
# 17 ALA QB 126 PHE QD 4.44 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 246, 247, 248,
igr2=1972,1980,
&end
#
# 17 ALA QB 126 PHE QE 3.45 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 246, 247, 248,
igr2=1974,1978,
&end
#
# 17 ALA QB 141 VAL QG2 3.44 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 246, 247, 248,
igr2=2204,2205,2206,
&end
#
# 17 ALA QB 143 PHE HZ 3.40 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= -1,2236, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 246, 247, 248,
&end
#
# 17 ALA QB 143 PHE QE 4.07 (#SUP 0.55 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 246, 247, 248,
igr2=2234,2238,
&end
#
# 17 ALA QB 158 VAL HB 4.33 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,2494, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 246, 247, 248,
&end
#
# 17 ALA QB 158 VAL QG1 3.35 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 246, 247, 248,
igr2=2496,2497,2498,
&end
#
# 17 ALA QB 158 VAL QG2 3.09 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 246, 247, 248,
igr2=2500,2501,2502,
&end
#
# 17 ALA QB 18 LEU HA 4.38 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 246, 247, 248,
&end
#
# 17 ALA QB 18 LEU HG 3.86 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 246, 247, 248,
&end
#
# 17 ALA QB 18 LEU HN 3.40 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, 252, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 246, 247, 248,
&end
#
# 17 ALA QB 19 SER HN 4.60 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 246, 247, 248,
&end
#
# 18 LEU HA 158 VAL QG1 4.46 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=2496,2497,2498,
&end
#
# 18 LEU HA 18 LEU HG 3.84 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 254, 259, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 18 LEU HA 18 LEU QD1 3.88 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 261, 262, 263,
&end
#
# 18 LEU HA 18 LEU QD2 2.93 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2= 265, 266, 267,
&end
#
# 18 LEU HA 21 ARG HD2 4.93 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 254, 302, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 18 LEU HA 21 ARG HD3 4.93 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 254, 303, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 18 LEU HA 21 ARG HN 4.28 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 254, 292, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 18 LEU HA 21 ARG QB 3.89
&rst
ixpk= 0, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 296, 297,
&end
#
# 18 LEU HA 21 ARG QD 4.23
&rst
ixpk= 0, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2= 302, 303,
&end
#
# 18 LEU HA 21 ARG QG 4.33
&rst
ixpk= 0, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 299, 300,
&end
#
# 18 LEU HB2 18 LEU QD1 3.11 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 261, 262, 263,
&end
#
# 18 LEU HB2 18 LEU QD2 3.73 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 265, 266, 267,
&end
#
# 18 LEU HB2 19 SER HN 3.80 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 256, 271, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 18 LEU HB2 19 SER QB 4.17
&rst
ixpk= 0, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 275, 276,
&end
#
# 18 LEU HB3 18 LEU QD1 3.12 (#SUP 1.00 #QF 0.97)
&rst
ixpk= 1, nxpk= 0, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 261, 262, 263,
&end
#
# 18 LEU HB3 18 LEU QD2 2.97 (#SUP 1.00 #QF 0.90)
&rst
ixpk= 1, nxpk= 0, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2= 265, 266, 267,
&end
#
# 18 LEU HB3 19 SER HN 3.57 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 257, 271, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 18 LEU HB3 19 SER QB 4.88
&rst
ixpk= 0, nxpk= 0, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 275, 276,
&end
#
# 18 LEU HG 107 TRP HE3 5.36 (#SUP 0.95 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat= 259,1664, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 18 LEU HG 19 SER HN 4.84 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 259, 271, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 18 LEU HN 158 VAL QG1 5.33 (#SUP 1.00 #QF 0.98)
&rst
ixpk= 1, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2=2496,2497,2498,
&end
#
# 18 LEU HN 18 LEU HB2 3.63 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 252, 256, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 18 LEU HN 18 LEU HB3 3.81 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 252, 257, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 18 LEU HN 18 LEU HG 3.04 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 252, 259, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 18 LEU HN 18 LEU QD1 3.85 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 261, 262, 263,
&end
#
# 18 LEU HN 18 LEU QD2 3.79 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 265, 266, 267,
&end
#
# 18 LEU HN 19 SER HN 3.48 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 252, 271, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 18 LEU HN 19 SER QB 5.34
&rst
ixpk= 1, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 275, 276,
&end
#
# 18 LEU HN 20 ALA HN 5.02 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= 252, 282, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 18 LEU QD1 107 TRP HB3 5.50 (#SUP 0.92 #QF 0.56)
&rst
ixpk= 0, nxpk= 0, iat= -1,1650, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 261, 262, 263,
&end
#
# 18 LEU QD1 107 TRP HE3 5.50 (#SUP 0.39 #QF 0.20)
&rst
ixpk= 0, nxpk= 0, iat= -1,1664, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 261, 262, 263,
&end
#
# 18 LEU QD1 108 LYS HA 3.30 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1,1671, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 261, 262, 263,
&end
#
# 18 LEU QD1 108 LYS QE 4.99 (#SUP 0.76 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 261, 262, 263,
igr2=1682,1683,
&end
#
# 18 LEU QD1 108 LYS QG 3.71 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 261, 262, 263,
igr2=1676,1677,
&end
#
# 18 LEU QD1 109 LYS HN 5.50 (#SUP 0.39 #QF 0.20)
&rst
ixpk= 0, nxpk= 0, iat= -1,1691, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 261, 262, 263,
&end
#
# 18 LEU QD1 19 SER HN 4.62 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 261, 262, 263,
&end
#
# 18 LEU QD2 107 TRP HB2 3.43 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1,1649, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 265, 266, 267,
&end
#
# 18 LEU QD2 107 TRP HB3 3.25 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= -1,1650, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr1= 265, 266, 267,
&end
#
# 18 LEU QD2 107 TRP HE3 4.23 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1664, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 265, 266, 267,
&end
#
# 18 LEU QD2 107 TRP HN 4.39 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat= -1,1645, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 265, 266, 267,
&end
#
# 18 LEU QD2 108 LYS HA 3.16 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,1671, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1= 265, 266, 267,
&end
#
# 18 LEU QD2 108 LYS HB2 4.48 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 265, 266, 267,
&end
#
# 18 LEU QD2 108 LYS HN 4.18 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1669, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 265, 266, 267,
&end
#
# 18 LEU QD2 108 LYS QE 3.80 (#SUP 0.57 #QF 0.57)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 265, 266, 267,
igr2=1682,1683,
&end
#
# 18 LEU QD2 108 LYS QG 3.08 (#SUP 0.96 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 265, 266, 267,
igr2=1676,1677,
&end
#
# 18 LEU QD2 110 SER HG 4.34 (#SUP 0.57 #QF 0.57)
&rst
ixpk= 0, nxpk= 0, iat= -1,1720, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 265, 266, 267,
&end
#
# 18 LEU QD2 158 VAL QG1 4.68 (#SUP 1.00 #QF 0.79)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 265, 266, 267,
igr2=2496,2497,2498,
&end
#
# 18 LEU QD2 19 SER HN 4.84 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 265, 266, 267,
&end
#
# 18 LEU QD2 21 ARG HD2 4.74 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 265, 266, 267,
&end
#
# 18 LEU QD2 21 ARG HD3 4.74 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat= -1, 303, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 265, 266, 267,
&end
#
# 18 LEU QD2 21 ARG QD 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 265, 266, 267,
igr2= 302, 303,
&end
#
# 19 SER HA 22 GLU HG2 5.18 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 273, 323, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 19 SER HA 22 GLU HG3 5.18 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 273, 324, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 19 SER HA 22 GLU HN 4.05 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 273, 316, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 19 SER HA 22 GLU QB 3.82 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 320, 321,
&end
#
# 19 SER HA 22 GLU QG 4.31
&rst
ixpk= 0, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 323, 324,
&end
#
# 19 SER HB2 20 ALA HN 3.99 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 275, 282, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 19 SER HB3 20 ALA HN 3.99 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 276, 282, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 19 SER HN 19 SER HB2 3.32 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 271, 275, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 19 SER HN 19 SER HB3 3.32 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 271, 276, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 19 SER HN 19 SER QB 2.87
&rst
ixpk= 0, nxpk= 0, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,
igr2= 275, 276,
&end
#
# 19 SER HN 20 ALA HN 3.44 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 271, 282, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 19 SER HN 20 ALA QB 4.38 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 286, 287, 288,
&end
#
# 19 SER QB 20 ALA HN 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 275, 276,
&end
#
# 19 SER QB 72 ILE QD1 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 275, 276,
igr2=1110,1111,1112,
&end
#
# 19 SER QB 72 ILE QG2 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 275, 276,
igr2=1103,1104,1105,
&end
#
# 20 ALA HA 21 ARG HA 4.96 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 284, 294, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 20 ALA HA 22 GLU HN 4.94 (#SUP 0.46 #QF 0.28)
&rst
ixpk= 0, nxpk= 0, iat= 284, 316, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 20 ALA HA 23 HIS HB2 4.36 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 284, 335, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 20 ALA HA 23 HIS HB3 4.36 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 284, 336, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 20 ALA HA 23 HIS HN 4.24 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= 284, 331, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 20 ALA HA 23 HIS QB 3.82
&rst
ixpk= 0, nxpk= 0, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 335, 336,
&end
#
# 20 ALA HA 72 ILE QD1 4.43 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1110,1111,1112,
&end
#
# 20 ALA HA 72 ILE QG1 3.48
&rst
ixpk= 1, nxpk= 0, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2=1107,1108,
&end
#
# 20 ALA HA 72 ILE QG2 3.22 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=1103,1104,1105,
&end
#
# 20 ALA HA 73 PHE HZ 4.18 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 284,1128, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 20 ALA HA 73 PHE QE 4.12 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1126,1130,
&end
#
# 20 ALA HN 158 VAL QG2 4.83 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=2500,2501,2502,
&end
#
# 20 ALA HN 20 ALA QB 3.14 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 286, 287, 288,
&end
#
# 20 ALA HN 21 ARG HN 3.79 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 282, 292, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 20 ALA HN 22 GLU HN 5.11 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 282, 316, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 20 ALA HN 72 ILE QD1 5.30 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2=1110,1111,1112,
&end
#
# 20 ALA HN 72 ILE QG1 4.91
&rst
ixpk= 0, nxpk= 0, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1107,1108,
&end
#
# 20 ALA HN 72 ILE QG2 4.18 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1103,1104,1105,
&end
#
# 20 ALA QB 143 PHE QE 4.81 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 286, 287, 288,
igr2=2234,2238,
&end
#
# 20 ALA QB 152 VAL HB 4.41 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1,2405, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 286, 287, 288,
&end
#
# 20 ALA QB 152 VAL QQG 2.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 286, 287, 288,
igr2=2407,2408,2409,2411,2412,2413,
&end
#
# 20 ALA QB 158 VAL HB 3.71 (#SUP 0.96 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= -1,2494, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 286, 287, 288,
&end
#
# 20 ALA QB 158 VAL HN 4.74 (#SUP 0.98 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat= -1,2490, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 286, 287, 288,
&end
#
# 20 ALA QB 158 VAL QG1 3.98 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 286, 287, 288,
igr2=2496,2497,2498,
&end
#
# 20 ALA QB 158 VAL QG2 3.33 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 286, 287, 288,
igr2=2500,2501,2502,
&end
#
# 20 ALA QB 21 ARG HN 3.36 (#SUP 1.00 #QF 0.96)
&rst
ixpk= 1, nxpk= 0, iat= -1, 292, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 286, 287, 288,
&end
#
# 20 ALA QB 72 ILE QG1 4.12
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 286, 287, 288,
igr2=1107,1108,
&end
#
# 20 ALA QB 72 ILE QG2 3.26 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 286, 287, 288,
igr2=1103,1104,1105,
&end
#
# 20 ALA QB 73 PHE HZ 3.68 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1,1128, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 286, 287, 288,
&end
#
# 20 ALA QB 73 PHE QE 3.59 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 286, 287, 288,
igr2=1126,1130,
&end
#
# 21 ARG HA 158 VAL HB 4.60 (#SUP 0.91 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= 294,2494, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 21 ARG HA 158 VAL QG1 4.14 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=2496,2497,2498,
&end
#
# 21 ARG HA 21 ARG HD2 5.38 (#SUP 0.68 #QF 0.29)
&rst
ixpk= 0, nxpk= 0, iat= 294, 302, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 21 ARG HA 21 ARG HD3 5.38 (#SUP 0.89 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= 294, 303, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 21 ARG HA 21 ARG HG2 4.02 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= 294, 299, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 21 ARG HA 21 ARG HG3 4.02 (#SUP 0.97 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 294, 300, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 21 ARG HA 21 ARG QD 4.59
&rst
ixpk= 0, nxpk= 0, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 302, 303,
&end
#
# 21 ARG HA 24 PHE HN 4.24 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 294, 348, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 21 ARG HA 24 PHE QB 3.66
&rst
ixpk= 0, nxpk= 0, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 352, 353,
&end
#
# 21 ARG HA 25 TRP HD1 4.72 (#SUP 0.99 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 294, 376, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 21 ARG HA 25 TRP HN 4.81 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 294, 368, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 21 ARG HB2 158 VAL QG1 4.06 (#SUP 1.00 #QF 0.81)
&rst
ixpk= 1, nxpk= 0, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=2496,2497,2498,
&end
#
# 21 ARG HB2 21 ARG HD2 4.09 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 296, 302, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 21 ARG HB2 21 ARG HD3 4.09 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 296, 303, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 21 ARG HB2 22 GLU HN 4.22 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 296, 316, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 21 ARG HB3 158 VAL QG1 4.06 (#SUP 1.00 #QF 0.99)
&rst
ixpk= 1, nxpk= 0, iat= 297, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=2496,2497,2498,
&end
#
# 21 ARG HB3 21 ARG HD2 4.09 (#SUP 1.00 #QF 0.98)
&rst
ixpk= 1, nxpk= 0, iat= 297, 302, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 21 ARG HB3 21 ARG HD3 4.09 (#SUP 0.99 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 297, 303, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 21 ARG HB3 22 GLU HN 4.22 (#SUP 0.97 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 297, 316, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 21 ARG HD2 158 VAL QG1 4.34 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=2496,2497,2498,
&end
#
# 21 ARG HD2 159 ILE HA 5.50 (#SUP 0.68 #QF 0.29)
&rst
ixpk= 0, nxpk= 0, iat= 302,2508, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 ARG HD2 22 GLU HN 5.36 (#SUP 0.66 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat= 302, 316, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 21 ARG HD2 25 TRP HD1 5.13 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 302, 376, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 21 ARG HD3 158 VAL QG1 4.34 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=2496,2497,2498,
&end
#
# 21 ARG HD3 159 ILE HA 5.50 (#SUP 0.89 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= 303,2508, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 ARG HD3 22 GLU HN 5.36 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 303, 316, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 21 ARG HD3 25 TRP HD1 5.13 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 303, 376, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 21 ARG HG2 25 TRP HD1 4.00 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 299, 376, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 21 ARG HG3 25 TRP HD1 4.00 (#SUP 0.69 #QF 0.37)
&rst
ixpk= 0, nxpk= 0, iat= 300, 376, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 21 ARG HN 158 VAL HB 4.76 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 292,2494, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 21 ARG HN 158 VAL QG1 3.93 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2496,2497,2498,
&end
#
# 21 ARG HN 158 VAL QG2 4.45 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=2500,2501,2502,
&end
#
# 21 ARG HN 21 ARG HB2 3.87 (#SUP 1.00 #QF 0.96)
&rst
ixpk= 1, nxpk= 0, iat= 292, 296, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 21 ARG HN 21 ARG HB3 3.87 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 292, 297, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 21 ARG HN 21 ARG HD2 5.12 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 292, 302, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 21 ARG HN 21 ARG HD3 5.12 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 292, 303, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 21 ARG HN 21 ARG QB 3.37
&rst
ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 296, 297,
&end
#
# 21 ARG HN 21 ARG QG 4.14
&rst
ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 299, 300,
&end
#
# 21 ARG HN 22 GLU HN 3.72 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 292, 316, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 21 ARG HN 23 HIS HN 5.15 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 292, 331, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 21 ARG QB 158 VAL QG1 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 296, 297,
igr2=2496,2497,2498,
&end
#
# 21 ARG QB 21 ARG QD 3.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1= 296, 297,
igr2= 302, 303,
&end
#
# 21 ARG QB 22 GLU HN 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 296, 297,
&end
#
# 21 ARG QB 25 TRP HD1 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 376, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 296, 297,
&end
#
# 21 ARG QB 25 TRP HE1 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 378, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 296, 297,
&end
#
# 21 ARG QD 107 TRP HD1 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1653, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 302, 303,
&end
#
# 21 ARG QD 107 TRP HE1 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1,1655, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 302, 303,
&end
#
# 21 ARG QD 158 VAL QG1 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 302, 303,
igr2=2496,2497,2498,
&end
#
# 21 ARG QD 159 ILE HA 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1,2508, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 302, 303,
&end
#
# 21 ARG QD 22 GLU HN 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 302, 303,
&end
#
# 21 ARG QD 25 TRP HD1 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 376, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 302, 303,
&end
#
# 21 ARG QG 158 VAL QG1 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 299, 300,
igr2=2496,2497,2498,
&end
#
# 21 ARG QG 22 GLU HN 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 299, 300,
&end
#
# 21 ARG QG 25 TRP HD1 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 376, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1= 299, 300,
&end
#
# 21 ARG QG 25 TRP HE1 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 378, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 299, 300,
&end
#
# 22 GLU HA 22 GLU HG2 3.73 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 318, 323, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 22 GLU HA 22 GLU HG3 3.73 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 318, 324, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 22 GLU HA 25 TRP HN 4.18 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 318, 368, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 22 GLU HA 25 TRP QB 3.93
&rst
ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 372, 373,
&end
#
# 22 GLU HA 26 ASN HN 4.21 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat= 318, 392, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 22 GLU HG2 23 HIS HN 4.98 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 323, 331, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 22 GLU HG2 26 ASN HD21 5.08 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 323, 401, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 22 GLU HG2 26 ASN HD22 5.08 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 323, 402, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 22 GLU HG3 23 HIS HN 4.98 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 324, 331, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 22 GLU HG3 26 ASN HD21 5.08 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 324, 401, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 22 GLU HG3 26 ASN HD22 5.08 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat= 324, 402, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 22 GLU HN 22 GLU HG2 4.59 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 316, 323, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 22 GLU HN 22 GLU HG3 4.59 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 316, 324, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 22 GLU HN 22 GLU QB 3.07 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr2= 320, 321,
&end
#
# 22 GLU HN 23 HIS HN 3.70 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 316, 331, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 22 GLU HN 24 PHE HN 4.88 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 316, 348, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 22 GLU QB 23 HIS HN 3.62 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, 331, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 320, 321,
&end
#
# 22 GLU QB 26 ASN HD21 5.22 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, 401, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 320, 321,
&end
#
# 22 GLU QB 26 ASN HD22 5.22 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 320, 321,
&end
#
# 22 GLU QB 26 ASN QD2 4.46
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 320, 321,
igr2= 401, 402,
&end
#
# 22 GLU QG 23 HIS HN 4.36
&rst
ixpk= 1, nxpk= 0, iat= -1, 331, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 323, 324,
&end
#
# 22 GLU QG 26 ASN QD2 3.53
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 323, 324,
igr2= 401, 402,
&end
#
# 23 HIS HA 26 ASN HD21 4.74 (#SUP 0.79 #QF 0.28)
&rst
ixpk= 0, nxpk= 0, iat= 333, 401, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 23 HIS HA 26 ASN HD22 4.74 (#SUP 0.32 #QF 0.32)
&rst
ixpk= 0, nxpk= 0, iat= 333, 402, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 23 HIS HA 26 ASN QB 4.44
&rst
ixpk= 0, nxpk= 0, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 396, 397,
&end
#
# 23 HIS HA 26 ASN QD2 4.16
&rst
ixpk= 0, nxpk= 0, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 401, 402,
&end
#
# 23 HIS HA 27 THR HN 4.57 (#SUP 0.85 #QF 0.29)
&rst
ixpk= 0, nxpk= 0, iat= 333, 406, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 23 HIS HA 68 TYR QE 4.19 (#SUP 0.30 #QF 0.30)
&rst
ixpk= 0, nxpk= 0, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1039,1044,
&end
#
# 23 HIS HB2 69 LEU QD2 3.74 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1063,1064,1065,
&end
#
# 23 HIS HB2 72 ILE QG2 4.39 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=1103,1104,1105,
&end
#
# 23 HIS HB2 73 PHE QD 4.97 (#SUP 0.90 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1124,1132,
&end
#
# 23 HIS HB2 73 PHE QE 4.40 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1126,1130,
&end
#
# 23 HIS HB3 69 LEU QD2 3.74 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1063,1064,1065,
&end
#
# 23 HIS HB3 72 ILE QG2 4.39 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=1103,1104,1105,
&end
#
# 23 HIS HB3 73 PHE QD 4.97 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1124,1132,
&end
#
# 23 HIS HB3 73 PHE QE 4.40 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1126,1130,
&end
#
# 23 HIS HD2 68 TYR QD 4.91 (#SUP 0.96 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1037,1046,
&end
#
# 23 HIS HD2 68 TYR QE 4.95 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1039,1044,
&end
#
# 23 HIS HD2 69 LEU HA 4.24 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 344,1052, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 23 HIS HD2 69 LEU QD2 3.73 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=1063,1064,1065,
&end
#
# 23 HIS HD2 72 ILE QG2 4.85 (#SUP 0.64 #QF 0.64)
&rst
ixpk= 0, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=1103,1104,1105,
&end
#
# 23 HIS HD2 73 PHE QD 5.10 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1124,1132,
&end
#
# 23 HIS HN 23 HIS HB2 3.89 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 331, 335, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 23 HIS HN 23 HIS HB3 3.89 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 331, 336, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 23 HIS HN 23 HIS QB 3.37
&rst
ixpk= 0, nxpk= 0, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 335, 336,
&end
#
# 23 HIS HN 24 PHE HN 3.78 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 331, 348, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 23 HIS HN 25 TRP HN 4.79 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= 331, 368, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 23 HIS HN 73 PHE QE 5.17 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1126,1130,
&end
#
# 23 HIS QB 24 PHE HA 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 350, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 335, 336,
&end
#
# 23 HIS QB 24 PHE HN 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 335, 336,
&end
#
# 23 HIS QB 69 LEU QD2 3.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 335, 336,
igr2=1063,1064,1065,
&end
#
# 23 HIS QB 72 ILE QG2 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 335, 336,
igr2=1103,1104,1105,
&end
#
# 23 HIS QB 73 PHE QD 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 335, 336,
igr2=1124,1132,
&end
#
# 23 HIS QB 73 PHE QE 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 335, 336,
igr2=1126,1130,
&end
#
# 24 PHE HA 155 PHE HZ 3.91 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 350,2460, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 24 PHE HA 155 PHE QD 5.27 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2=2456,2464,
&end
#
# 24 PHE HA 155 PHE QE 3.77 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=2458,2462,
&end
#
# 24 PHE HA 24 PHE QD 3.77 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 356, 364,
&end
#
# 24 PHE HA 24 PHE QE 5.00 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 358, 362,
&end
#
# 24 PHE HA 25 TRP HA 4.98 (#SUP 0.72 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat= 350, 370, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 24 PHE HA 26 ASN HN 5.22 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 350, 392, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 24 PHE HA 27 THR HB 4.01 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 350, 410, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 24 PHE HA 27 THR HG1 4.38 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= 350, 416, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 24 PHE HA 27 THR HN 4.52 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 350, 406, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 24 PHE HA 27 THR QG2 4.71 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 412, 413, 414,
&end
#
# 24 PHE HA 28 MET HN 4.71 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 350, 420, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 24 PHE HA 69 LEU QD2 3.99 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1063,1064,1065,
&end
#
# 24 PHE HA 73 PHE QE 5.45 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=1126,1130,
&end
#
# 24 PHE HB2 159 ILE QG2 5.04 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=2512,2513,2514,
&end
#
# 24 PHE HB2 25 TRP HN 3.97 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 352, 368, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 24 PHE HB3 159 ILE QG2 5.04 (#SUP 0.60 #QF 0.60)
&rst
ixpk= 0, nxpk= 0, iat= 353, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=2512,2513,2514,
&end
#
# 24 PHE HB3 25 TRP HN 3.97 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 353, 368, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 24 PHE HN 24 PHE HB2 3.64 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 348, 352, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 24 PHE HN 24 PHE HB3 3.64 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 348, 353, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 24 PHE HN 24 PHE QD 4.27 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 348, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 356, 364,
&end
#
# 24 PHE HN 25 TRP HN 3.90 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 348, 368, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 24 PHE HN 26 ASN HN 5.10 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 348, 392, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 24 PHE HN 27 THR HN 5.50 (#SUP 0.97 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 348, 406, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 PHE HN 73 PHE HZ 4.60 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat= 348,1128, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 24 PHE HN 73 PHE QE 4.70 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat= 348, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1126,1130,
&end
#
# 24 PHE HZ 156 ASP HB2 5.50 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat= 360,2472, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 PHE HZ 156 ASP HB3 5.05 (#SUP 0.66 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat= 360,2473, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 24 PHE HZ 159 ILE QD1 4.69 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=2519,2520,2521,
&end
#
# 24 PHE HZ 159 ILE QG2 4.36 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=2512,2513,2514,
&end
#
# 24 PHE HZ 28 MET HG2 4.98 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 360, 427, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 24 PHE HZ 28 MET HG3 4.98 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 360, 428, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 24 PHE HZ 28 MET QE 4.68 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 431, 432, 433,
&end
#
# 24 PHE HZ 28 MET QG 4.28
&rst
ixpk= 0, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 427, 428,
&end
#
# 24 PHE HZ 85 TYR QD 4.95 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1321,1330,
&end
#
# 24 PHE HZ 85 TYR QE 3.82 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=1323,1328,
&end
#
# 24 PHE QB 159 ILE QG2 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 352, 353,
igr2=2512,2513,2514,
&end
#
# 24 PHE QB 25 TRP HN 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 352, 353,
&end
#
# 24 PHE QD 155 PHE HZ 4.91 (#SUP 0.49 #QF 0.49)
&rst
ixpk= 0, nxpk= 0, iat= -1,2460, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 356, 364,
&end
#
# 24 PHE QD 156 ASP HA 4.55 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1,2470, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 356, 364,
&end
#
# 24 PHE QD 159 ILE HA 4.60 (#SUP 0.64 #QF 0.36)
&rst
ixpk= 0, nxpk= 0, iat= -1,2508, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 356, 364,
&end
#
# 24 PHE QD 159 ILE QD1 4.64 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 356, 364,
igr2=2519,2520,2521,
&end
#
# 24 PHE QD 159 ILE QG2 4.23 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 356, 364,
igr2=2512,2513,2514,
&end
#
# 24 PHE QD 25 TRP HA 4.29 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= -1, 370, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 356, 364,
&end
#
# 24 PHE QD 25 TRP HD1 5.06 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= -1, 376, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 356, 364,
&end
#
# 24 PHE QD 25 TRP HN 3.89 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 356, 364,
&end
#
# 24 PHE QE 155 PHE QD 4.05 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 358, 362,
igr2=2456,2464,
&end
#
# 24 PHE QE 155 PHE QE 4.61 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 358, 362,
igr2=2458,2462,
&end
#
# 24 PHE QE 156 ASP HA 4.32 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,2470, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 358, 362,
&end
#
# 24 PHE QE 156 ASP HB2 4.36 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,2472, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 358, 362,
&end
#
# 24 PHE QE 156 ASP HB3 4.36 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,2473, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 358, 362,
&end
#
# 24 PHE QE 159 ILE HA 5.50 (#SUP 0.95 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= -1,2508, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 358, 362,
&end
#
# 24 PHE QE 159 ILE HB 4.70 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,2510, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 358, 362,
&end
#
# 24 PHE QE 159 ILE HG12 4.95 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,2516, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 358, 362,
&end
#
# 24 PHE QE 159 ILE HG13 5.50 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1,2517, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 358, 362,
&end
#
# 24 PHE QE 159 ILE QD1 3.91 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 358, 362,
igr2=2519,2520,2521,
&end
#
# 24 PHE QE 159 ILE QG2 3.84 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 358, 362,
igr2=2512,2513,2514,
&end
#
# 24 PHE QE 25 TRP HA 4.99 (#SUP 0.95 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= -1, 370, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 358, 362,
&end
#
# 24 PHE QE 25 TRP HH2 4.94 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 358, 362,
&end
#
# 24 PHE QE 25 TRP HZ2 5.02 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, 381, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 358, 362,
&end
#
# 24 PHE QE 28 MET HG2 5.07 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 358, 362,
&end
#
# 24 PHE QE 28 MET HG3 5.07 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1, 428, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 358, 362,
&end
#
# 24 PHE QE 28 MET QB 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 358, 362,
igr2= 424, 425,
&end
#
# 24 PHE QE 28 MET QE 4.43 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 358, 362,
igr2= 431, 432, 433,
&end
#
# 24 PHE QE 28 MET QG 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 358, 362,
igr2= 427, 428,
&end
#
# 24 PHE QE 85 TYR QD 4.91 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1= 358, 362,
igr2=1321,1330,
&end
#
# 24 PHE QE 85 TYR QE 4.12 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 358, 362,
igr2=1323,1328,
&end
#
# 25 TRP HA 25 TRP HE3 3.50 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 370, 387, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 25 TRP HA 25 TRP HZ3 4.55 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 370, 385, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 25 TRP HA 27 THR HN 4.89 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 370, 406, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 25 TRP HA 28 MET HN 3.98 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 370, 420, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 25 TRP HA 28 MET QB 3.65
&rst
ixpk= 0, nxpk= 0, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 424, 425,
&end
#
# 25 TRP HA 28 MET QG 4.00
&rst
ixpk= 0, nxpk= 0, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 427, 428,
&end
#
# 25 TRP HB2 26 ASN HN 4.02 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat= 372, 392, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 25 TRP HB3 26 ASN HN 4.02 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 373, 392, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 25 TRP HD1 159 ILE HA 5.38 (#SUP 0.99 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 376,2508, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 25 TRP HD1 26 ASN HN 5.22 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 376, 392, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 25 TRP HE1 159 ILE HA 3.68 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 378,2508, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 25 TRP HE1 159 ILE HB 4.13 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 378,2510, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 25 TRP HE1 159 ILE QG2 4.13 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=2512,2513,2514,
&end
#
# 25 TRP HE3 28 MET QB 3.96
&rst
ixpk= 1, nxpk= 0, iat= 387, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 424, 425,
&end
#
# 25 TRP HH2 101 GLY HA2 4.56 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 383,1562, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 25 TRP HH2 101 GLY HA3 4.56 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 383,1563, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 25 TRP HH2 101 GLY HN 5.50 (#SUP 0.50 #QF 0.50)
&rst
ixpk= 0, nxpk= 0, iat= 383,1560, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 TRP HH2 101 GLY QA 3.99
&rst
ixpk= 0, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=1562,1563,
&end
#
# 25 TRP HH2 159 ILE QD1 4.59 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=2519,2520,2521,
&end
#
# 25 TRP HH2 159 ILE QG2 4.66 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=2512,2513,2514,
&end
#
# 25 TRP HN 25 TRP HB2 3.69 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 368, 372, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 25 TRP HN 25 TRP HB3 3.69 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 368, 373, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 25 TRP HN 25 TRP HD1 4.07 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 368, 376, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 25 TRP HN 25 TRP HE3 4.60 (#SUP 0.72 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat= 368, 387, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 25 TRP HN 25 TRP QB 3.18
&rst
ixpk= 0, nxpk= 0, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2= 372, 373,
&end
#
# 25 TRP HN 26 ASN HN 3.71 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 368, 392, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 25 TRP HN 27 THR HN 4.67 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 368, 406, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 25 TRP HZ2 103 ASN QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1583,1584,
&end
#
# 25 TRP HZ2 159 ILE HA 4.20 (#SUP 0.54 #QF 0.54)
&rst
ixpk= 0, nxpk= 0, iat= 381,2508, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 25 TRP HZ2 159 ILE HB 3.87 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 381,2510, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 25 TRP HZ2 159 ILE HG12 5.50 (#SUP 0.99 #QF 0.25)
&rst
ixpk= 0, nxpk= 0, iat= 381,2516, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 TRP HZ2 159 ILE QD1 4.45 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=2519,2520,2521,
&end
#
# 25 TRP HZ2 159 ILE QG2 3.57 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=2512,2513,2514,
&end
#
# 25 TRP QB 26 ASN HN 3.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr1= 372, 373,
&end
#
# 26 ASN HA 29 SER HB2 3.74 (#SUP 0.53 #QF 0.53)
&rst
ixpk= 0, nxpk= 0, iat= 394, 441, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 26 ASN HA 29 SER HB3 3.74 (#SUP 0.53 #QF 0.53)
&rst
ixpk= 0, nxpk= 0, iat= 394, 442, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 26 ASN HB2 27 THR HN 4.23 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 396, 406, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 26 ASN HB2 32 ASN HA 4.84 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 396, 474, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 26 ASN HB3 27 THR HN 4.23 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 397, 406, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 26 ASN HB3 32 ASN HA 4.84 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 397, 474, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 26 ASN HD21 32 ASN HA 5.15 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 401, 474, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 26 ASN HD22 32 ASN HA 5.15 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 402, 474, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 26 ASN HN 26 ASN HB2 3.70 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= 392, 396, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 26 ASN HN 26 ASN HB3 3.70 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 392, 397, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 26 ASN HN 26 ASN HD21 4.65 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 392, 401, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 26 ASN HN 26 ASN HD22 4.65 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat= 392, 402, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 26 ASN HN 26 ASN QB 3.20
&rst
ixpk= 0, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 396, 397,
&end
#
# 26 ASN HN 26 ASN QD2 3.91
&rst
ixpk= 0, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2= 401, 402,
&end
#
# 26 ASN HN 27 THR HB 5.23 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 392, 410, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 26 ASN HN 27 THR HG1 4.94 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 392, 416, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 26 ASN HN 27 THR HN 3.53 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 392, 406, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 26 ASN HN 28 MET HN 4.89 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 392, 420, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 26 ASN QB 27 THR HN 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 396, 397,
&end
#
# 26 ASN QB 32 ASN HA 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 396, 397,
&end
#
# 26 ASN QB 33 PRO QD 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 396, 397,
igr2= 487, 488,
&end
#
# 26 ASN QB 68 TYR QE 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 396, 397,
igr2=1039,1044,
&end
#
# 26 ASN QD2 32 ASN HA 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 401, 402,
&end
#
# 26 ASN QD2 33 PRO QD 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 401, 402,
igr2= 487, 488,
&end
#
# 26 ASN QD2 33 PRO QG 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 401, 402,
igr2= 490, 491,
&end
#
# 27 THR HA 27 THR QG2 3.15 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 412, 413, 414,
&end
#
# 27 THR HA 29 SER HN 5.04 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 408, 437, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 27 THR HA 30 GLY HN 4.20 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 408, 448, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 27 THR HA 31 HIS HN 5.27 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 408, 455, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 27 THR HA 55 MET QE 3.21 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 856, 857, 858,
&end
#
# 27 THR HA 59 LEU HB3 5.50 (#SUP 0.25 #QF 0.25)
&rst
ixpk= 0, nxpk= 0, iat= 408, 900, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 THR HA 59 LEU QD1 3.33 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 904, 905, 906,
&end
#
# 27 THR HA 59 LEU QD2 4.81 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 908, 909, 910,
&end
#
# 27 THR HA 68 TYR QE 5.39 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1039,1044,
&end
#
# 27 THR HB 155 PHE HZ 4.15 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 410,2460, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 27 THR HB 155 PHE QE 4.85 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 410, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=2458,2462,
&end
#
# 27 THR HB 28 MET HN 3.50 (#SUP 0.98 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 410, 420, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 27 THR HB 69 LEU QD2 3.99 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= 410, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1063,1064,1065,
&end
#
# 27 THR HG1 28 MET HN 4.22 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 416, 420, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 27 THR HG1 68 TYR QE 4.31 (#SUP 0.64 #QF 0.64)
&rst
ixpk= 0, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1039,1044,
&end
#
# 27 THR HG1 69 LEU QD2 3.74 (#SUP 0.44 #QF 0.44)
&rst
ixpk= 0, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1063,1064,1065,
&end
#
# 27 THR HN 27 THR HB 3.39 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 406, 410, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 27 THR HN 27 THR HG1 3.32 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 406, 416, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 27 THR HN 27 THR QG2 3.78 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 412, 413, 414,
&end
#
# 27 THR HN 28 MET HN 3.50 (#SUP 1.00 #QF 0.97)
&rst
ixpk= 1, nxpk= 0, iat= 406, 420, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 27 THR HN 59 LEU QD1 4.74 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 904, 905, 906,
&end
#
# 27 THR HN 68 TYR QE 4.62 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1039,1044,
&end
#
# 27 THR QG2 155 PHE HZ 3.27 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1,2460, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 412, 413, 414,
&end
#
# 27 THR QG2 155 PHE QE 4.18 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 412, 413, 414,
igr2=2458,2462,
&end
#
# 27 THR QG2 27 THR HG1 3.70 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, 416, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 412, 413, 414,
&end
#
# 27 THR QG2 28 MET HN 3.74 (#SUP 0.91 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 412, 413, 414,
&end
#
# 27 THR QG2 29 SER HN 5.50 (#SUP 0.95 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= -1, 437, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 412, 413, 414,
&end
#
# 27 THR QG2 30 GLY HN 4.67 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 412, 413, 414,
&end
#
# 27 THR QG2 55 MET QE 2.57 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr1= 412, 413, 414,
igr2= 856, 857, 858,
&end
#
# 27 THR QG2 59 LEU QD1 3.40 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 412, 413, 414,
igr2= 904, 905, 906,
&end
#
# 27 THR QG2 69 LEU QD1 3.24 (#SUP 0.53 #QF 0.53)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 412, 413, 414,
igr2=1059,1060,1061,
&end
#
# 27 THR QG2 87 PHE HE2 3.41 (#SUP 0.61 #QF 0.28)
&rst
ixpk= 0, nxpk= 0, iat= -1,1365, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 412, 413, 414,
&end
#
# 27 THR QG2 87 PHE HZ 3.16 (#SUP 0.61 #QF 0.28)
&rst
ixpk= 0, nxpk= 0, iat= -1,1363, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1= 412, 413, 414,
&end
#
# 27 THR QG2 87 PHE QD 4.52 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 412, 413, 414,
igr2=1359,1367,
&end
#
# 27 THR QG2 96 VAL QG1 4.23 (#SUP 0.64 #QF 0.64)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 412, 413, 414,
igr2=1498,1499,1500,
&end
#
# 28 MET HA 28 MET QE 3.35 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 431, 432, 433,
&end
#
# 28 MET HA 87 PHE HZ 4.20 (#SUP 0.69 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat= 422,1363, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 28 MET HA 96 VAL QG1 4.06 (#SUP 0.58 #QF 0.58)
&rst
ixpk= 0, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1498,1499,1500,
&end
#
# 28 MET HA 96 VAL QG2 3.44 (#SUP 0.34 #QF 0.34)
&rst
ixpk= 0, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1502,1503,1504,
&end
#
# 28 MET HB2 29 SER HN 4.29 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 424, 437, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 28 MET HB3 29 SER HN 4.29 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 425, 437, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 28 MET HN 155 PHE HZ 5.40 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 420,2460, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 28 MET HN 28 MET HB2 3.87 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 420, 424, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 28 MET HN 28 MET HB3 3.87 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 420, 425, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 28 MET HN 28 MET HG2 4.07 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 420, 427, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 28 MET HN 28 MET HG3 4.07 (#SUP 0.91 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat= 420, 428, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 28 MET HN 28 MET QB 3.30
&rst
ixpk= 0, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 424, 425,
&end
#
# 28 MET HN 28 MET QE 4.37 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 431, 432, 433,
&end
#
# 28 MET HN 28 MET QG 3.36
&rst
ixpk= 0, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 427, 428,
&end
#
# 28 MET HN 29 SER HN 3.43 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 420, 437, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 28 MET HN 55 MET QE 4.91 (#SUP 0.95 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2= 856, 857, 858,
&end
#
# 28 MET HN 96 VAL QG2 5.50 (#SUP 0.85 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1502,1503,1504,
&end
#
# 28 MET QB 29 SER HN 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 437, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 424, 425,
&end
#
# 28 MET QE 155 PHE HZ 5.50 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= -1,2460, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 431, 432, 433,
&end
#
# 28 MET QE 155 PHE QE 4.45 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 431, 432, 433,
igr2=2458,2462,
&end
#
# 28 MET QE 85 TYR HA 4.57 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1315, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 431, 432, 433,
&end
#
# 28 MET QE 85 TYR HB2 4.06 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1,1317, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 431, 432, 433,
&end
#
# 28 MET QE 85 TYR HB3 3.22 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1,1318, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 431, 432, 433,
&end
#
# 28 MET QE 85 TYR HN 5.50 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,1313, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 431, 432, 433,
&end
#
# 28 MET QE 85 TYR QD 3.15 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 431, 432, 433,
igr2=1321,1330,
&end
#
# 28 MET QE 85 TYR QE 3.96 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 431, 432, 433,
igr2=1323,1328,
&end
#
# 28 MET QE 87 PHE HE1 3.30 (#SUP 0.44 #QF 0.29)
&rst
ixpk= 0, nxpk= 0, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 431, 432, 433,
&end
#
# 28 MET QG 28 MET QE 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 427, 428,
igr2= 431, 432, 433,
&end
#
# 28 MET QG 29 SER HN 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 437, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 427, 428,
&end
#
# 29 SER HB2 30 GLY HN 4.45 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 441, 448, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 29 SER HB2 31 HIS HN 4.60 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= 441, 455, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 29 SER HB3 30 GLY HN 4.45 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 442, 448, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 29 SER HB3 31 HIS HN 4.60 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 442, 455, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 29 SER HN 29 SER HB2 3.53 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 437, 441, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 29 SER HN 29 SER HB3 3.53 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 437, 442, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 29 SER HN 96 VAL QG2 5.23 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= 437, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2=1502,1503,1504,
&end
#
# 29 SER QB 30 GLY HN 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 441, 442,
&end
#
# 29 SER QB 31 HIS HN 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 455, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 441, 442,
&end
#
# 30 GLY HN 31 HIS HN 3.32 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 448, 455, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 30 GLY HN 55 MET QE 3.78 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 856, 857, 858,
&end
#
# 30 GLY HN 96 VAL QG1 5.50 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1498,1499,1500,
&end
#
# 30 GLY HN 96 VAL QG2 4.03 (#SUP 0.74 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1502,1503,1504,
&end
#
# 30 GLY QA 96 VAL QG2 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 450, 451,
igr2=1502,1503,1504,
&end
#
# 31 HIS HB2 32 ASN HN 5.14 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 459, 472, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 31 HIS HB3 32 ASN HN 5.14 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 460, 472, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 31 HIS HD2 33 PRO HA 3.73 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 468, 496, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 31 HIS HD2 33 PRO HB3 4.34 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 468, 494, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 31 HIS HD2 33 PRO QD 4.44
&rst
ixpk= 0, nxpk= 0, iat= 468, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 487, 488,
&end
#
# 31 HIS HD2 33 PRO QG 4.87 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 468, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 490, 491,
&end
#
# 31 HIS HE1 35 VAL HB 4.57 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 464, 526, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 31 HIS HE1 35 VAL HN 4.92 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 464, 522, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 31 HIS HE1 35 VAL QG1 4.89 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 528, 529, 530,
&end
#
# 31 HIS HE1 35 VAL QG2 4.89 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 532, 533, 534,
&end
#
# 31 HIS HE1 35 VAL QQG 4.03
&rst
ixpk= 0, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 528, 529, 530, 532, 533, 534,
&end
#
# 31 HIS HE1 38 ALA HN 4.58 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 464, 582, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 31 HIS HE1 38 ALA QB 3.42 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 586, 587, 588,
&end
#
# 31 HIS HN 31 HIS HB2 3.75 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 455, 459, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 31 HIS HN 31 HIS HB3 3.75 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 455, 460, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 31 HIS HN 31 HIS HD2 4.94 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= 455, 468, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 31 HIS HN 31 HIS QB 3.24
&rst
ixpk= 0, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 459, 460,
&end
#
# 31 HIS HN 32 ASN HN 4.49 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= 455, 472, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 31 HIS HN 55 MET QE 5.17 (#SUP 0.95 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2= 856, 857, 858,
&end
#
# 31 HIS HN 59 LEU QD1 4.70 (#SUP 0.69 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 904, 905, 906,
&end
#
# 31 HIS HN 96 VAL QG2 5.50 (#SUP 0.85 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1502,1503,1504,
&end
#
# 32 ASN HA 33 PRO HD2 3.54 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 474, 487, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 32 ASN HA 33 PRO HD3 3.54 (#SUP 0.97 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 474, 488, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 32 ASN HA 33 PRO QG 3.83 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 490, 491,
&end
#
# 32 ASN HA 34 LYS HN 4.81 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 474, 500, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 32 ASN HB2 34 LYS HN 5.05 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 476, 500, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 32 ASN HB3 34 LYS HN 5.05 (#SUP 0.98 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 477, 500, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 32 ASN HN 59 LEU QD1 4.78 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 904, 905, 906,
&end
#
# 32 ASN QB 32 ASN QD2 3.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1= 476, 477,
igr2= 481, 482,
&end
#
# 32 ASN QB 33 PRO QD 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 476, 477,
igr2= 487, 488,
&end
#
# 32 ASN QB 34 LYS QB 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 476, 477,
igr2= 504, 505,
&end
#
# 32 ASN QB 35 VAL HN 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 476, 477,
&end
#
# 32 ASN QB 35 VAL QQG 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 476, 477,
igr2= 528, 529, 530, 532, 533, 534,
&end
#
# 32 ASN QB 59 LEU QD1 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1= 476, 477,
igr2= 904, 905, 906,
&end
#
# 32 ASN QD2 34 LYS QB 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 481, 482,
igr2= 504, 505,
&end
#
# 32 ASN QD2 35 VAL QQG 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 481, 482,
igr2= 528, 529, 530, 532, 533, 534,
&end
#
# 33 PRO HA 35 VAL HN 4.50 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 496, 522, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 33 PRO HB2 34 LYS HN 4.10 (#SUP 0.81 #QF 0.43)
&rst
ixpk= 0, nxpk= 0, iat= 493, 500, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 33 PRO HB3 34 LYS HN 4.55 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= 494, 500, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 33 PRO HD2 34 LYS HN 4.46 (#SUP 0.54 #QF 0.54)
&rst
ixpk= 0, nxpk= 0, iat= 487, 500, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 33 PRO HD3 34 LYS HN 4.46 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 488, 500, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 33 PRO QD 34 LYS HN 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 500, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 487, 488,
&end
#
# 33 PRO QD 35 VAL HN 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 487, 488,
&end
#
# 33 PRO QG 34 LYS HN 3.79 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1, 500, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 490, 491,
&end
#
# 34 LYS HA 34 LYS QB 2.56
&rst
ixpk= 0, nxpk= 0, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37,
igr2= 504, 505,
&end
#
# 34 LYS HA 34 LYS QD 3.14 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2= 510, 511,
&end
#
# 34 LYS HA 34 LYS QE 4.24 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 513, 514,
&end
#
# 34 LYS HA 34 LYS QG 3.11
&rst
ixpk= 0, nxpk= 0, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2= 507, 508,
&end
#
# 34 LYS HA 35 VAL QQG 5.21
&rst
ixpk= 0, nxpk= 0, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr2= 528, 529, 530, 532, 533, 534,
&end
#
# 34 LYS HB2 35 VAL HN 3.97 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 504, 522, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 34 LYS HB3 35 VAL HN 3.97 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 505, 522, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 34 LYS HN 34 LYS HG2 3.72 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 500, 507, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 34 LYS HN 34 LYS HG3 3.72 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 500, 508, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 34 LYS HN 34 LYS QB 3.29
&rst
ixpk= 1, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 504, 505,
&end
#
# 34 LYS HN 34 LYS QD 4.22 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 510, 511,
&end
#
# 34 LYS HN 34 LYS QE 5.50 (#SUP 0.98 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 513, 514,
&end
#
# 34 LYS HN 35 VAL HN 3.21 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 500, 522, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 34 LYS HN 35 VAL QQG 4.60
&rst
ixpk= 0, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2= 528, 529, 530, 532, 533, 534,
&end
#
# 34 LYS QB 34 LYS QE 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 504, 505,
igr2= 513, 514,
&end
#
# 34 LYS QB 35 VAL HA 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 524, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 504, 505,
&end
#
# 34 LYS QB 35 VAL HN 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 504, 505,
&end
#
# 34 LYS QG 35 VAL HN 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 507, 508,
&end
#
# 35 VAL HA 35 VAL QG1 3.22 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 528, 529, 530,
&end
#
# 35 VAL HA 35 VAL QG2 3.22 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 532, 533, 534,
&end
#
# 35 VAL HA 36 LYS HN 3.21 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 524, 538, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 35 VAL HA 36 LYS QB 5.27
&rst
ixpk= 0, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 542, 543,
&end
#
# 35 VAL HA 36 LYS QD 4.75 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 548, 549,
&end
#
# 35 VAL HA 36 LYS QG 4.25
&rst
ixpk= 0, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 545, 546,
&end
#
# 35 VAL HB 38 ALA QB 3.74 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 526, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 586, 587, 588,
&end
#
# 35 VAL HB 58 ASP QB 4.27 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 526, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 887, 888,
&end
#
# 35 VAL HN 35 VAL HB 3.15 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 522, 526, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 35 VAL HN 35 VAL QG1 3.99 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 528, 529, 530,
&end
#
# 35 VAL HN 35 VAL QG2 3.99 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 532, 533, 534,
&end
#
# 35 VAL HN 35 VAL QQG 3.07
&rst
ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 528, 529, 530, 532, 533, 534,
&end
#
# 35 VAL HN 36 LYS HN 4.71 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 522, 538, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 35 VAL HN 38 ALA QB 5.27 (#SUP 0.89 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2= 586, 587, 588,
&end
#
# 35 VAL HN 58 ASP QB 5.20 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 887, 888,
&end
#
# 35 VAL QG1 36 LYS HN 4.19 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, 538, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 528, 529, 530,
&end
#
# 35 VAL QG1 58 ASP HN 4.64 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1, 883, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 528, 529, 530,
&end
#
# 35 VAL QG1 58 ASP QB 3.31 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 528, 529, 530,
igr2= 887, 888,
&end
#
# 35 VAL QG2 36 LYS HN 4.19 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1, 538, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 532, 533, 534,
&end
#
# 35 VAL QG2 58 ASP HN 4.64 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= -1, 883, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 532, 533, 534,
&end
#
# 35 VAL QG2 58 ASP QB 3.31 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 532, 533, 534,
igr2= 887, 888,
&end
#
# 35 VAL QQG 36 LYS HN 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 538, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 528, 529, 530, 532, 533, 534,
&end
#
# 35 VAL QQG 37 LYS HN 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 528, 529, 530, 532, 533, 534,
&end
#
# 35 VAL QQG 38 ALA HA 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 584, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 528, 529, 530, 532, 533, 534,
&end
#
# 35 VAL QQG 38 ALA HN 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 528, 529, 530, 532, 533, 534,
&end
#
# 35 VAL QQG 38 ALA QB 3.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 528, 529, 530, 532, 533, 534,
igr2= 586, 587, 588,
&end
#
# 35 VAL QQG 58 ASP HA 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 885, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 528, 529, 530, 532, 533, 534,
&end
#
# 35 VAL QQG 58 ASP HN 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 883, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 528, 529, 530, 532, 533, 534,
&end
#
# 35 VAL QQG 58 ASP QB 2.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 528, 529, 530, 532, 533, 534,
igr2= 887, 888,
&end
#
# 36 LYS HA 36 LYS QD 3.52 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 548, 549,
&end
#
# 36 LYS HA 36 LYS QE 4.53 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 551, 552,
&end
#
# 36 LYS HA 36 LYS QG 3.15
&rst
ixpk= 0, nxpk= 0, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2= 545, 546,
&end
#
# 36 LYS HN 36 LYS HG2 4.21 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 538, 545, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 36 LYS HN 36 LYS HG3 4.21 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 538, 546, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 36 LYS HN 36 LYS QB 3.31
&rst
ixpk= 1, nxpk= 0, iat= 538, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 542, 543,
&end
#
# 36 LYS HN 36 LYS QD 4.45 (#SUP 0.72 #QF 0.60)
&rst
ixpk= 0, nxpk= 0, iat= 538, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 548, 549,
&end
#
# 36 LYS HN 36 LYS QG 3.66
&rst
ixpk= 0, nxpk= 0, iat= 538, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 545, 546,
&end
#
# 36 LYS HN 37 LYS HN 4.39 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 538, 560, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 36 LYS QB 36 LYS QE 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 542, 543,
igr2= 551, 552,
&end
#
# 36 LYS QB 37 LYS HN 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 542, 543,
&end
#
# 36 LYS QD 37 LYS HN 5.28 (#SUP 0.96 #QF 0.51)
&rst
ixpk= 0, nxpk= 0, iat= -1, 560, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 548, 549,
&end
#
# 36 LYS QG 36 LYS QE 3.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1= 545, 546,
igr2= 551, 552,
&end
#
# 37 LYS HA 37 LYS HG2 3.70 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 562, 567, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 37 LYS HA 37 LYS HG3 3.70 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 562, 568, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 37 LYS HA 37 LYS QD 4.04 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 562, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 570, 571,
&end
#
# 37 LYS HA 37 LYS QG 3.10
&rst
ixpk= 0, nxpk= 0, iat= 562, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 567, 568,
&end
#
# 37 LYS HA 38 ALA HN 2.98 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= 562, 582, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 37 LYS HB2 37 LYS QE 4.80 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 573, 574,
&end
#
# 37 LYS HB2 38 ALA HN 4.54 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 564, 582, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 37 LYS HB3 37 LYS QE 4.80 (#SUP 0.95 #QF 0.40)
&rst
ixpk= 0, nxpk= 0, iat= 565, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 573, 574,
&end
#
# 37 LYS HB3 38 ALA HN 4.54 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 565, 582, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 37 LYS HN 37 LYS QB 3.49
&rst
ixpk= 0, nxpk= 0, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 564, 565,
&end
#
# 37 LYS HN 37 LYS QD 5.50 (#SUP 0.96 #QF 0.51)
&rst
ixpk= 0, nxpk= 0, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 570, 571,
&end
#
# 37 LYS HN 37 LYS QG 4.03
&rst
ixpk= 0, nxpk= 0, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 567, 568,
&end
#
# 37 LYS HN 38 ALA HN 4.25 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 560, 582, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 37 LYS QB 37 LYS QE 3.95
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 564, 565,
igr2= 573, 574,
&end
#
# 37 LYS QB 38 ALA HN 3.98
&rst
ixpk= 1, nxpk= 0, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 564, 565,
&end
#
# 38 ALA HA 39 VAL HB 4.87 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 584, 596, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 38 ALA HA 39 VAL HN 3.06 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 584, 592, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 38 ALA HA 56 CYX QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 866, 867,
&end
#
# 38 ALA HA 58 ASP QB 5.50 (#SUP 0.75 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 887, 888,
&end
#
# 38 ALA HN 38 ALA QB 3.03 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 586, 587, 588,
&end
#
# 38 ALA HN 39 VAL HN 4.59 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 582, 592, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 38 ALA QB 39 VAL HA 4.52 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1, 594, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 586, 587, 588,
&end
#
# 38 ALA QB 39 VAL HN 3.47 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, 592, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1= 586, 587, 588,
&end
#
# 38 ALA QB 39 VAL QQG 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 586, 587, 588,
igr2= 598, 599, 600, 602, 603, 604,
&end
#
# 38 ALA QB 56 CYX HB2 4.04 (#SUP 0.87 #QF 0.62)
&rst
ixpk= 0, nxpk= 0, iat= -1, 866, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 586, 587, 588,
&end
#
# 38 ALA QB 56 CYX HB3 4.04 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat= -1, 867, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 586, 587, 588,
&end
#
# 38 ALA QB 56 CYX HN 4.82 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat= -1, 862, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 586, 587, 588,
&end
#
# 38 ALA QB 56 CYX QB 3.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 586, 587, 588,
igr2= 866, 867,
&end
#
# 38 ALA QB 57 SER HN 4.26 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= -1, 872, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 586, 587, 588,
&end
#
# 38 ALA QB 58 ASP HN 3.48 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1, 883, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 586, 587, 588,
&end
#
# 38 ALA QB 58 ASP QB 3.81 (#SUP 0.87 #QF 0.62)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 586, 587, 588,
igr2= 887, 888,
&end
#
# 39 VAL HA 39 VAL QG1 3.12 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 594, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 598, 599, 600,
&end
#
# 39 VAL HA 39 VAL QG2 3.12 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 594, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 602, 603, 604,
&end
#
# 39 VAL HB 40 CYX HA 5.50 (#SUP 0.99 #QF 0.52)
&rst
ixpk= 0, nxpk= 0, iat= 596, 610, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 VAL HB 40 CYX HN 4.59 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 596, 608, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 39 VAL HN 39 VAL HB 3.51 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 592, 596, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 39 VAL HN 39 VAL QG1 3.98 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 598, 599, 600,
&end
#
# 39 VAL HN 39 VAL QG2 3.98 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 602, 603, 604,
&end
#
# 39 VAL HN 39 VAL QQG 3.30
&rst
ixpk= 0, nxpk= 0, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr2= 598, 599, 600, 602, 603, 604,
&end
#
# 39 VAL HN 57 SER HN 4.48 (#SUP 0.89 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat= 592, 872, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 40 CYX HA 41 PRO HD2 3.60 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 610, 619, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 40 CYX HA 41 PRO HD3 3.60 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 610, 620, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 40 CYX HA 41 PRO HG2 4.68 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 610, 622, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 40 CYX HA 41 PRO HG3 4.68 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 610, 623, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 40 CYX HB2 41 PRO HD2 5.25 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 612, 619, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 40 CYX HB2 41 PRO HD3 5.25 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 612, 620, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 40 CYX HB3 41 PRO HD2 5.25 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= 613, 619, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 40 CYX HB3 41 PRO HD3 5.25 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 613, 620, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 40 CYX HN 41 PRO HD2 5.43 (#SUP 0.95 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 608, 619, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 40 CYX HN 41 PRO HD3 5.43 (#SUP 0.82 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat= 608, 620, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 40 CYX HN 41 PRO QD 4.77
&rst
ixpk= 0, nxpk= 0, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 619, 620,
&end
#
# 40 CYX QB 41 PRO QD 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 612, 613,
igr2= 619, 620,
&end
#
# 41 PRO HB2 54 TYR HB2 4.12 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat= 625, 828, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 41 PRO HB2 54 TYR QD 4.45 (#SUP 0.49 #QF 0.49)
&rst
ixpk= 0, nxpk= 0, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 832, 841,
&end
#
# 41 PRO HB3 42 SER HN 4.66 (#SUP 0.97 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 626, 632, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 41 PRO HB3 54 TYR HB2 5.00 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 626, 828, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 41 PRO HB3 54 TYR HB3 4.97 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 626, 829, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 41 PRO HD2 56 CYX HA 4.04 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 619, 864, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 41 PRO HD2 57 SER HN 5.50 (#SUP 0.95 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 619, 872, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 PRO HD3 56 CYX HA 4.04 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= 620, 864, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 41 PRO HD3 57 SER HN 5.50 (#SUP 0.82 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat= 620, 872, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 PRO HG2 54 TYR HB2 4.38 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 622, 828, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 41 PRO HG2 54 TYR HB3 4.49 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 622, 829, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 41 PRO HG3 54 TYR HB2 4.38 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat= 623, 828, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 41 PRO HG3 54 TYR HB3 4.49 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 623, 829, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 41 PRO QD 54 TYR HB2 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 828, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 619, 620,
&end
#
# 41 PRO QD 54 TYR HB3 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 829, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 619, 620,
&end
#
# 41 PRO QD 56 CYX HA 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 864, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 619, 620,
&end
#
# 41 PRO QG 54 TYR HB2 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 828, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 622, 623,
&end
#
# 41 PRO QG 54 TYR HB3 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 829, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 622, 623,
&end
#
# 41 PRO QG 54 TYR HN 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 824, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 622, 623,
&end
#
# 42 SER HA 43 GLY HN 3.26 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 634, 643, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 42 SER HB2 43 GLY HN 4.73 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 636, 643, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 42 SER HB3 43 GLY HN 4.73 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 637, 643, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 42 SER HN 43 GLY HN 4.61 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= 632, 643, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 43 GLY HA2 44 THR HN 3.00 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 645, 650, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 43 GLY HA3 44 THR HN 3.00 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 646, 650, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 43 GLY HN 44 THR HN 4.75 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 643, 650, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 43 GLY QA 44 THR QG2 4.09
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 645, 646,
igr2= 656, 657, 658,
&end
#
# 44 THR HA 44 THR QG2 3.17 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 656, 657, 658,
&end
#
# 44 THR HA 45 PHE HN 3.10 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 652, 664, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 44 THR HA 45 PHE QD 4.22 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 672, 680,
&end
#
# 44 THR HA 51 GLN QG 5.50 (#SUP 0.74 #QF 0.38)
&rst
ixpk= 0, nxpk= 0, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 777, 778,
&end
#
# 44 THR HA 52 TYR HN 5.20 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 652, 787, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 44 THR HA 53 VAL HA 3.70 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 652, 810, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 44 THR HA 53 VAL HB 5.50 (#SUP 0.74 #QF 0.38)
&rst
ixpk= 0, nxpk= 0, iat= 652, 812, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 THR HA 53 VAL QG1 4.09 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 814, 815, 816,
&end
#
# 44 THR HA 54 TYR HN 4.74 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 652, 824, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 44 THR HA 98 ILE QD1 5.50 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1535,1536,1537,
&end
#
# 44 THR HB 45 PHE HA 4.57 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 654, 666, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 44 THR HB 45 PHE HN 3.24 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 654, 664, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 44 THR HB 51 GLN QB 4.62 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 774, 775,
&end
#
# 44 THR HB 51 GLN QE2 4.35
&rst
ixpk= 0, nxpk= 0, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 782, 783,
&end
#
# 44 THR HB 51 GLN QG 3.83 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 777, 778,
&end
#
# 44 THR HB 52 TYR HN 4.39 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 654, 787, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 44 THR HB 53 VAL QG1 3.83 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 814, 815, 816,
&end
#
# 44 THR HB 98 ILE QD1 4.07 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1535,1536,1537,
&end
#
# 44 THR HN 44 THR HB 3.93 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 650, 654, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 44 THR HN 44 THR QG2 3.32 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 650, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2= 656, 657, 658,
&end
#
# 44 THR HN 45 PHE HN 4.62 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 650, 664, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 44 THR QG2 45 PHE HN 3.88 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, 664, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 656, 657, 658,
&end
#
# 44 THR QG2 51 GLN HE21 4.37 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, 782, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 656, 657, 658,
&end
#
# 44 THR QG2 51 GLN HE22 4.37 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 656, 657, 658,
&end
#
# 44 THR QG2 51 GLN QE2 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 656, 657, 658,
igr2= 782, 783,
&end
#
# 44 THR QG2 51 GLN QG 4.66 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 656, 657, 658,
igr2= 777, 778,
&end
#
# 44 THR QG2 53 VAL HA 3.65 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 656, 657, 658,
&end
#
# 44 THR QG2 53 VAL HB 3.79 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat= -1, 812, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 656, 657, 658,
&end
#
# 44 THR QG2 53 VAL QG1 2.86 (#SUP 0.35 #QF 0.35)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 656, 657, 658,
igr2= 814, 815, 816,
&end
#
# 44 THR QG2 98 ILE QD1 3.05 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 656, 657, 658,
igr2=1535,1536,1537,
&end
#
# 45 PHE HA 45 PHE QD 3.94 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 666, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 672, 680,
&end
#
# 45 PHE HA 46 GLU HN 3.05 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 666, 684, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 45 PHE HA 46 GLU QB 4.39
&rst
ixpk= 0, nxpk= 0, iat= 666, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2= 688, 689,
&end
#
# 45 PHE HN 45 PHE QB 3.86 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2= 668, 669,
&end
#
# 45 PHE HN 45 PHE QD 3.65 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 672, 680,
&end
#
# 45 PHE HN 45 PHE QE 4.56 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 674, 678,
&end
#
# 45 PHE HN 46 GLU HN 4.62 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 664, 684, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 45 PHE HN 51 GLN QG 5.33 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 777, 778,
&end
#
# 45 PHE HN 52 TYR HB2 4.56 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 664, 791, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 45 PHE HN 52 TYR HB3 4.56 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 664, 792, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 45 PHE HN 52 TYR HN 3.72 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 664, 787, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 45 PHE HN 52 TYR QB 3.81
&rst
ixpk= 0, nxpk= 0, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 791, 792,
&end
#
# 45 PHE HN 53 VAL HA 4.18 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 664, 810, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 45 PHE HN 53 VAL QG1 5.04 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2= 814, 815, 816,
&end
#
# 45 PHE HZ 52 TYR HB2 4.95 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 676, 791, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 45 PHE HZ 52 TYR HB3 4.95 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 676, 792, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 45 PHE HZ 52 TYR QE 4.83 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= 676, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 797, 802,
&end
#
# 45 PHE HZ 88 THR QG2 3.99 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 676, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1377,1378,1379,
&end
#
# 45 PHE HZ 90 SER HB2 4.30 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 676,1405, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 45 PHE HZ 90 SER HB3 4.30 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 676,1406, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 45 PHE HZ 95 ALA QB 3.17 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 676, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2=1486,1487,1488,
&end
#
# 45 PHE QB 46 GLU HA 5.10 (#SUP 0.99 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1, 686, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 668, 669,
&end
#
# 45 PHE QB 46 GLU HN 3.09 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1, 684, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr1= 668, 669,
&end
#
# 45 PHE QB 46 GLU QB 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1= 668, 669,
igr2= 688, 689,
&end
#
# 45 PHE QB 54 TYR QE 4.33 (#SUP 0.88 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 668, 669,
igr2= 834, 839,
&end
#
# 45 PHE QD 45 PHE HZ 4.19 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1, 676, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 672, 680,
&end
#
# 45 PHE QD 46 GLU HN 3.83 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, 684, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 672, 680,
&end
#
# 45 PHE QD 47 TYR HB2 3.36 (#SUP 0.94 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= -1, 703, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 672, 680,
&end
#
# 45 PHE QD 47 TYR HB3 4.07 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= -1, 704, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 672, 680,
&end
#
# 45 PHE QD 47 TYR HN 4.63 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 672, 680,
&end
#
# 45 PHE QD 52 TYR QB 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 672, 680,
igr2= 791, 792,
&end
#
# 45 PHE QD 54 TYR QE 3.74 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 672, 680,
igr2= 834, 839,
&end
#
# 45 PHE QD 95 ALA QB 4.32 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 672, 680,
igr2=1486,1487,1488,
&end
#
# 45 PHE QE 47 TYR HB2 3.51 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= -1, 703, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1= 674, 678,
&end
#
# 45 PHE QE 47 TYR HB3 4.10 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, 704, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 674, 678,
&end
#
# 45 PHE QE 47 TYR HN 4.93 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 674, 678,
&end
#
# 45 PHE QE 47 TYR QD 4.26 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 674, 678,
igr2= 707, 716,
&end
#
# 45 PHE QE 52 TYR HB2 4.46 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, 791, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 674, 678,
&end
#
# 45 PHE QE 52 TYR HB3 4.46 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, 792, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 674, 678,
&end
#
# 45 PHE QE 53 VAL HA 4.78 (#SUP 0.55 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 674, 678,
&end
#
# 45 PHE QE 54 TYR QD 4.32 (#SUP 0.93 #QF 0.29)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 674, 678,
igr2= 832, 841,
&end
#
# 45 PHE QE 54 TYR QE 3.98 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 674, 678,
igr2= 834, 839,
&end
#
# 45 PHE QE 88 THR QG2 4.27 (#SUP 0.44 #QF 0.44)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 674, 678,
igr2=1377,1378,1379,
&end
#
# 45 PHE QE 90 SER HB2 4.28 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,1405, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 674, 678,
&end
#
# 45 PHE QE 90 SER HB3 4.28 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1406, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 674, 678,
&end
#
# 45 PHE QE 95 ALA QB 3.10 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 674, 678,
igr2=1486,1487,1488,
&end
#
# 46 GLU HA 46 GLU HG2 3.71 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 686, 691, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 46 GLU HA 46 GLU HG3 3.71 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 686, 692, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 46 GLU HA 47 TYR HB2 5.45 (#SUP 0.99 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 686, 703, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 46 GLU HA 47 TYR HN 3.06 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 686, 699, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 46 GLU HA 50 LEU HN 4.46 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 686, 751, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 46 GLU HA 51 GLN HA 3.68 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= 686, 772, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 46 GLU HA 51 GLN QB 5.05 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 686, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 774, 775,
&end
#
# 46 GLU HA 51 GLN QG 4.72 (#SUP 0.74 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat= 686, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 777, 778,
&end
#
# 46 GLU HA 52 TYR HN 4.05 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= 686, 787, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 46 GLU HA 52 TYR QD 4.20 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= 686, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 795, 804,
&end
#
# 46 GLU HG2 47 TYR HN 3.87 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 691, 699, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 46 GLU HG2 49 ASN HA 4.07 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 691, 739, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 46 GLU HG2 49 ASN HN 4.94 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 691, 737, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 46 GLU HG2 50 LEU HN 4.40 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 691, 751, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 46 GLU HG3 47 TYR HN 3.87 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 692, 699, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 46 GLU HG3 49 ASN HA 4.07 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= 692, 739, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 46 GLU HG3 49 ASN HN 4.94 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 692, 737, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 46 GLU HG3 50 LEU HN 4.40 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 692, 751, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 46 GLU HN 46 GLU HB2 3.21 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 684, 688, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 46 GLU HN 46 GLU HB3 3.21 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 684, 689, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 46 GLU HN 46 GLU HG2 4.80 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 684, 691, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 46 GLU HN 46 GLU HG3 4.80 (#SUP 0.62 #QF 0.62)
&rst
ixpk= 0, nxpk= 0, iat= 684, 692, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 46 GLU HN 46 GLU QG 4.16
&rst
ixpk= 0, nxpk= 0, iat= 684, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 691, 692,
&end
#
# 46 GLU HN 47 TYR HN 4.56 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= 684, 699, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 46 GLU HN 51 GLN HA 5.27 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= 684, 772, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 46 GLU QG 49 ASN HN 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 737, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 691, 692,
&end
#
# 46 GLU QG 50 LEU HA 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 753, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 691, 692,
&end
#
# 46 GLU QG 51 GLN HA 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 772, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 691, 692,
&end
#
# 47 TYR HB2 48 GLN HN 4.60 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 703, 720, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 47 TYR HB2 52 TYR QE 4.55 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 703, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 797, 802,
&end
#
# 47 TYR HB3 48 GLN HN 4.69 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 704, 720, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 47 TYR HB3 52 TYR QE 3.89 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 797, 802,
&end
#
# 47 TYR HB3 88 THR QG2 4.85 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=1377,1378,1379,
&end
#
# 47 TYR HN 47 TYR HB2 4.08 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 699, 703, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 47 TYR HN 47 TYR HB3 4.00 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 699, 704, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 47 TYR HN 47 TYR QD 4.45 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 707, 716,
&end
#
# 47 TYR HN 48 GLN HN 4.44 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= 699, 720, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 47 TYR HN 49 ASN HN 4.83 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 699, 737, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 47 TYR HN 50 LEU HB2 3.94 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat= 699, 755, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 47 TYR HN 50 LEU HN 3.58 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 699, 751, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 47 TYR HN 52 TYR QD 3.78 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 795, 804,
&end
#
# 47 TYR HN 52 TYR QE 4.04 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 797, 802,
&end
#
# 47 TYR QD 48 GLN HB2 4.16 (#SUP 0.85 #QF 0.32)
&rst
ixpk= 0, nxpk= 0, iat= -1, 724, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 707, 716,
&end
#
# 47 TYR QD 48 GLN HN 3.89 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, 720, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 707, 716,
&end
#
# 47 TYR QD 48 GLN QG 4.01
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 707, 716,
igr2= 727, 728,
&end
#
# 47 TYR QD 50 LEU HB2 5.26 (#SUP 0.59 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat= -1, 755, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 707, 716,
&end
#
# 47 TYR QD 88 THR QG2 3.98 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 707, 716,
igr2=1377,1378,1379,
&end
#
# 47 TYR QE 48 GLN HB2 4.43 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= -1, 724, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 709, 714,
&end
#
# 47 TYR QE 48 GLN HG2 4.25 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1, 727, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 709, 714,
&end
#
# 47 TYR QE 48 GLN HG3 4.25 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1, 728, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 709, 714,
&end
#
# 47 TYR QE 48 GLN HN 4.70 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, 720, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 709, 714,
&end
#
# 47 TYR QE 48 GLN QG 3.59
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 709, 714,
igr2= 727, 728,
&end
#
# 47 TYR QE 88 THR HB 4.95 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,1375, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 709, 714,
&end
#
# 47 TYR QE 88 THR QG2 4.00 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 709, 714,
igr2=1377,1378,1379,
&end
#
# 48 GLN HA 48 GLN HG2 3.62 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 722, 727, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 48 GLN HA 48 GLN HG3 3.62 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 722, 728, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 48 GLN HA 48 GLN QG 3.08
&rst
ixpk= 1, nxpk= 0, iat= 722, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2= 727, 728,
&end
#
# 48 GLN HA 49 ASN HA 4.87 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 722, 739, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 48 GLN HA 49 ASN HN 3.42 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 722, 737, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 48 GLN HA 49 ASN QB 4.47 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 722, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 741, 742,
&end
#
# 48 GLN HA 50 LEU HN 4.92 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 722, 751, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 48 GLN HB2 48 GLN QE2 4.14
&rst
ixpk= 1, nxpk= 0, iat= 724, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 732, 733,
&end
#
# 48 GLN HB2 50 LEU HN 4.63 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= 724, 751, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 48 GLN HB2 52 TYR QE 4.53 (#SUP 0.46 #QF 0.46)
&rst
ixpk= 0, nxpk= 0, iat= 724, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 797, 802,
&end
#
# 48 GLN HB3 48 GLN HE21 4.96 (#SUP 0.96 #QF 0.54)
&rst
ixpk= 0, nxpk= 0, iat= 725, 732, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 48 GLN HB3 48 GLN HE22 4.96 (#SUP 0.78 #QF 0.60)
&rst
ixpk= 0, nxpk= 0, iat= 725, 733, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 48 GLN HB3 48 GLN QE2 4.22
&rst
ixpk= 0, nxpk= 0, iat= 725, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 732, 733,
&end
#
# 48 GLN HN 48 GLN HB2 3.71 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat= 720, 724, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 48 GLN HN 48 GLN HG2 3.87 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 720, 727, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 48 GLN HN 48 GLN HG3 3.87 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 720, 728, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 48 GLN QG 48 GLN QE2 3.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1= 727, 728,
igr2= 732, 733,
&end
#
# 48 GLN QG 49 ASN HN 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 737, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 727, 728,
&end
#
# 49 ASN HA 49 ASN HD21 4.90 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 739, 746, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 49 ASN HA 49 ASN HD22 4.90 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 739, 747, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 49 ASN HA 49 ASN QB 2.80 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 739, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 741, 742,
&end
#
# 49 ASN HA 49 ASN QD2 4.26
&rst
ixpk= 0, nxpk= 0, iat= 739, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 746, 747,
&end
#
# 49 ASN HA 50 LEU HN 3.52 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 739, 751, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 49 ASN HN 49 ASN QB 3.53 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 737, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 741, 742,
&end
#
# 49 ASN HN 49 ASN QD2 4.96
&rst
ixpk= 1, nxpk= 0, iat= 737, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 746, 747,
&end
#
# 49 ASN HN 50 LEU HG 4.76 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= 737, 758, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 49 ASN HN 50 LEU HN 3.37 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 737, 751, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 49 ASN QB 49 ASN HD21 3.70 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, 746, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 741, 742,
&end
#
# 49 ASN QB 49 ASN HD22 3.70 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1, 747, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 741, 742,
&end
#
# 49 ASN QB 49 ASN QD2 3.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1= 741, 742,
igr2= 746, 747,
&end
#
# 49 ASN QB 50 LEU HG 4.09 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat= -1, 758, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 741, 742,
&end
#
# 49 ASN QB 50 LEU HN 4.01 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, 751, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 741, 742,
&end
#
# 50 LEU HA 50 LEU HG 4.07 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 753, 758, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 50 LEU HA 50 LEU QD1 4.17 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 753, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 760, 761, 762,
&end
#
# 50 LEU HA 51 GLN HN 3.02 (#SUP 0.99 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= 753, 770, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 50 LEU HB2 50 LEU QD1 3.14 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 755, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 760, 761, 762,
&end
#
# 50 LEU HB2 50 LEU QD2 3.79 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 755, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 764, 765, 766,
&end
#
# 50 LEU HB2 51 GLN HN 4.18 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 755, 770, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 50 LEU HB2 52 TYR HN 5.16 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= 755, 787, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 50 LEU HB2 52 TYR QD 4.95 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 755, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 795, 804,
&end
#
# 50 LEU HB2 52 TYR QE 3.60 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 755, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 797, 802,
&end
#
# 50 LEU HB3 50 LEU QD1 3.27 (#SUP 0.95 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat= 756, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 760, 761, 762,
&end
#
# 50 LEU HB3 51 GLN HN 3.50 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= 756, 770, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 50 LEU HB3 52 TYR QE 4.09 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 756, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 797, 802,
&end
#
# 50 LEU HB3 97 PRO HB2 4.46 (#SUP 0.50 #QF 0.50)
&rst
ixpk= 0, nxpk= 0, iat= 756,1515, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 50 LEU HN 50 LEU HB2 3.26 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 751, 755, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 50 LEU HN 50 LEU HB3 4.10 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 751, 756, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 50 LEU HN 50 LEU HG 3.33 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 751, 758, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 50 LEU HN 50 LEU QD1 4.27 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 760, 761, 762,
&end
#
# 50 LEU HN 50 LEU QD2 4.25 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 764, 765, 766,
&end
#
# 50 LEU HN 52 TYR QD 4.72 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 795, 804,
&end
#
# 50 LEU HN 52 TYR QE 4.42 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 797, 802,
&end
#
# 50 LEU QD1 52 TYR QE 3.77 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 760, 761, 762,
igr2= 797, 802,
&end
#
# 50 LEU QD1 86 HIS HB2 4.13 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1,1338, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 760, 761, 762,
&end
#
# 50 LEU QD1 86 HIS HB3 4.25 (#SUP 0.75 #QF 0.47)
&rst
ixpk= 0, nxpk= 0, iat= -1,1339, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 760, 761, 762,
&end
#
# 50 LEU QD1 86 HIS HD2 4.26 (#SUP 0.62 #QF 0.62)
&rst
ixpk= 0, nxpk= 0, iat= -1,1347, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 760, 761, 762,
&end
#
# 50 LEU QD1 97 PRO HA 4.68 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1,1518, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 760, 761, 762,
&end
#
# 50 LEU QD1 97 PRO HB2 4.34 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1,1515, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 760, 761, 762,
&end
#
# 50 LEU QD1 97 PRO HB3 4.43 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1,1516, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 760, 761, 762,
&end
#
# 50 LEU QD1 97 PRO HG2 4.43 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= -1,1512, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 760, 761, 762,
&end
#
# 50 LEU QD1 97 PRO HG3 4.43 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat= -1,1513, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 760, 761, 762,
&end
#
# 50 LEU QD1 97 PRO QG 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 760, 761, 762,
igr2=1512,1513,
&end
#
# 50 LEU QD2 51 GLN HN 3.69 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= -1, 770, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 764, 765, 766,
&end
#
# 50 LEU QD2 52 TYR QE 4.79 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 764, 765, 766,
igr2= 797, 802,
&end
#
# 51 GLN HA 51 GLN QG 3.73 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 777, 778,
&end
#
# 51 GLN HA 52 TYR HN 3.22 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 772, 787, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 51 GLN HA 52 TYR QD 5.02 (#SUP 0.83 #QF 0.60)
&rst
ixpk= 0, nxpk= 0, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 795, 804,
&end
#
# 51 GLN HE21 98 ILE QD1 5.07 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 782, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=1535,1536,1537,
&end
#
# 51 GLN HE22 98 ILE QD1 5.07 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 783, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=1535,1536,1537,
&end
#
# 51 GLN HN 51 GLN QB 3.11 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2= 774, 775,
&end
#
# 51 GLN HN 51 GLN QG 4.00 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 777, 778,
&end
#
# 51 GLN HN 52 TYR HN 4.57 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 770, 787, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 51 GLN HN 98 ILE HN 4.17 (#SUP 0.57 #QF 0.57)
&rst
ixpk= 0, nxpk= 0, iat= 770,1522, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 51 GLN HN 98 ILE QD1 4.65 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1535,1536,1537,
&end
#
# 51 GLN HN 98 ILE QG1 5.33
&rst
ixpk= 0, nxpk= 0, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1532,1533,
&end
#
# 51 GLN QB 51 GLN QE2 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 774, 775,
igr2= 782, 783,
&end
#
# 51 GLN QB 51 GLN QG 2.84 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr1= 774, 775,
igr2= 777, 778,
&end
#
# 51 GLN QB 52 TYR HN 3.94 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 774, 775,
&end
#
# 51 GLN QB 97 PRO HA 5.22 (#SUP 0.86 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat= -1,1518, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 774, 775,
&end
#
# 51 GLN QB 98 ILE HG12 4.33 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= -1,1532, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 774, 775,
&end
#
# 51 GLN QB 98 ILE HG13 4.33 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,1533, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 774, 775,
&end
#
# 51 GLN QB 98 ILE HN 4.19 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,1522, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 774, 775,
&end
#
# 51 GLN QB 98 ILE QD1 3.11 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 774, 775,
igr2=1535,1536,1537,
&end
#
# 51 GLN QB 98 ILE QG1 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 774, 775,
igr2=1532,1533,
&end
#
# 51 GLN QE2 98 ILE QD1 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 782, 783,
igr2=1535,1536,1537,
&end
#
# 51 GLN QE2 98 ILE QG2 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr1= 782, 783,
igr2=1528,1529,1530,
&end
#
# 51 GLN QG 51 GLN HE21 3.64 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= -1, 782, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1= 777, 778,
&end
#
# 51 GLN QG 51 GLN HE22 3.64 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1= 777, 778,
&end
#
# 51 GLN QG 51 GLN QE2 3.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
igr1= 777, 778,
igr2= 782, 783,
&end
#
# 51 GLN QG 52 TYR HN 4.25 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 777, 778,
&end
#
# 51 GLN QG 98 ILE HB 5.12 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 777, 778,
&end
#
# 51 GLN QG 98 ILE HN 5.50 (#SUP 0.99 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= -1,1522, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 777, 778,
&end
#
# 51 GLN QG 98 ILE QD1 3.64 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 777, 778,
igr2=1535,1536,1537,
&end
#
# 52 TYR HA 52 TYR QD 4.40 (#SUP 0.53 #QF 0.53)
&rst
ixpk= 0, nxpk= 0, iat= 789, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 795, 804,
&end
#
# 52 TYR HA 53 VAL HN 3.16 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 789, 808, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 52 TYR HA 95 ALA QB 4.07 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= 789, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1486,1487,1488,
&end
#
# 52 TYR HA 97 PRO HA 3.39 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 789,1518, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 52 TYR HA 97 PRO HB2 5.20 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 789,1515, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 52 TYR HA 98 ILE HN 3.63 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 789,1522, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 52 TYR HB2 53 VAL HN 4.52 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 791, 808, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 52 TYR HB3 53 VAL HN 4.52 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 792, 808, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 52 TYR HN 52 TYR HB2 3.87 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 787, 791, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 52 TYR HN 52 TYR HB3 3.87 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 787, 792, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 52 TYR HN 52 TYR QB 3.32
&rst
ixpk= 0, nxpk= 0, iat= 787, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 791, 792,
&end
#
# 52 TYR HN 52 TYR QD 3.84 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 787, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 795, 804,
&end
#
# 52 TYR HN 53 VAL HN 4.86 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 787, 808, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 52 TYR HN 95 ALA QB 5.41 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 787, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2=1486,1487,1488,
&end
#
# 52 TYR HN 97 PRO HA 4.85 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 787,1518, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 52 TYR QB 53 VAL HN 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 808, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 791, 792,
&end
#
# 52 TYR QB 95 ALA QB 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 791, 792,
igr2=1486,1487,1488,
&end
#
# 52 TYR QD 53 VAL HN 4.42 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, 808, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 795, 804,
&end
#
# 52 TYR QD 88 THR HN 5.06 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 795, 804,
&end
#
# 52 TYR QD 88 THR QG2 3.86 (#SUP 0.72 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 795, 804,
igr2=1377,1378,1379,
&end
#
# 52 TYR QD 95 ALA QB 3.35 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 795, 804,
igr2=1486,1487,1488,
&end
#
# 52 TYR QD 96 VAL HA 5.31 (#SUP 0.83 #QF 0.60)
&rst
ixpk= 0, nxpk= 0, iat= -1,1494, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 795, 804,
&end
#
# 52 TYR QD 96 VAL HN 4.00 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 795, 804,
&end
#
# 52 TYR QD 97 PRO HA 4.74 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1,1518, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 795, 804,
&end
#
# 52 TYR QE 86 HIS HB3 4.28 (#SUP 0.60 #QF 0.47)
&rst
ixpk= 0, nxpk= 0, iat= -1,1339, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 797, 802,
&end
#
# 52 TYR QE 87 PHE HA 4.26 (#SUP 0.55 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat= -1,1353, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 797, 802,
&end
#
# 52 TYR QE 88 THR HB 4.29 (#SUP 0.58 #QF 0.58)
&rst
ixpk= 0, nxpk= 0, iat= -1,1375, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 797, 802,
&end
#
# 52 TYR QE 88 THR HN 4.00 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 797, 802,
&end
#
# 52 TYR QE 88 THR QG2 3.61 (#SUP 0.61 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 797, 802,
igr2=1377,1378,1379,
&end
#
# 52 TYR QE 95 ALA QB 4.10 (#SUP 1.00 #QF 0.78)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 797, 802,
igr2=1486,1487,1488,
&end
#
# 52 TYR QE 96 VAL HN 5.40 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 797, 802,
&end
#
# 52 TYR QE 97 PRO HB3 4.18 (#SUP 0.86 #QF 0.42)
&rst
ixpk= 0, nxpk= 0, iat= -1,1516, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 797, 802,
&end
#
# 52 TYR QE 97 PRO HD2 4.93 (#SUP 0.60 #QF 0.47)
&rst
ixpk= 0, nxpk= 0, iat= -1,1509, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 797, 802,
&end
#
# 52 TYR QE 97 PRO HD3 3.98 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1,1510, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 797, 802,
&end
#
# 52 TYR QE 97 PRO QG 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 797, 802,
igr2=1512,1513,
&end
#
# 53 VAL HA 53 VAL QG1 3.16 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 810, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 814, 815, 816,
&end
#
# 53 VAL HA 53 VAL QG2 3.40 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 810, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 818, 819, 820,
&end
#
# 53 VAL HA 54 TYR HB2 4.96 (#SUP 0.55 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat= 810, 828, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 53 VAL HA 54 TYR HN 3.20 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 810, 824, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 53 VAL HA 54 TYR QD 4.74 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= 810, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 832, 841,
&end
#
# 53 VAL HA 98 ILE QD1 4.76 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= 810, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1535,1536,1537,
&end
#
# 53 VAL HB 54 TYR HN 3.43 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 812, 824, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 53 VAL HB 98 ILE HG12 5.22 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= 812,1532, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 53 VAL HB 98 ILE HG13 5.22 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 812,1533, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 53 VAL HB 98 ILE QG1 4.45
&rst
ixpk= 0, nxpk= 0, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2=1532,1533,
&end
#
# 53 VAL HN 53 VAL HB 4.20 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 808, 812, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 53 VAL HN 53 VAL QG1 3.57 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 808, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 814, 815, 816,
&end
#
# 53 VAL HN 53 VAL QG2 3.25 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 808, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2= 818, 819, 820,
&end
#
# 53 VAL HN 95 ALA QB 3.74 (#SUP 0.35 #QF 0.35)
&rst
ixpk= 0, nxpk= 0, iat= 808, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1486,1487,1488,
&end
#
# 53 VAL HN 96 VAL HN 3.95 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 808,1492, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 53 VAL HN 96 VAL QG1 5.03 (#SUP 0.42 #QF 0.42)
&rst
ixpk= 0, nxpk= 0, iat= 808, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=1498,1499,1500,
&end
#
# 53 VAL HN 96 VAL QG2 4.16 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 808, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2=1502,1503,1504,
&end
#
# 53 VAL HN 97 PRO HA 4.12 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 808,1518, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 53 VAL HN 98 ILE HN 4.57 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 808,1522, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 53 VAL QG1 54 TYR HN 4.15 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1, 824, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 814, 815, 816,
&end
#
# 53 VAL QG1 96 VAL QG2 4.19 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 814, 815, 816,
igr2=1502,1503,1504,
&end
#
# 53 VAL QG1 98 ILE HA 4.08 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1,1524, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 814, 815, 816,
&end
#
# 53 VAL QG1 98 ILE HN 4.20 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= -1,1522, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 814, 815, 816,
&end
#
# 53 VAL QG1 98 ILE QG1 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 814, 815, 816,
igr2=1532,1533,
&end
#
# 53 VAL QG1 99 GLY HN 5.50 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= -1,1541, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 814, 815, 816,
&end
#
# 53 VAL QG2 54 TYR HN 4.12 (#SUP 0.74 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat= -1, 824, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 818, 819, 820,
&end
#
# 53 VAL QG2 95 ALA HA 4.72 (#SUP 0.97 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= -1,1484, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 818, 819, 820,
&end
#
# 53 VAL QG2 95 ALA QB 4.23 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 818, 819, 820,
igr2=1486,1487,1488,
&end
#
# 53 VAL QG2 96 VAL HN 3.93 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 818, 819, 820,
&end
#
# 53 VAL QG2 96 VAL QG2 2.97 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 818, 819, 820,
igr2=1502,1503,1504,
&end
#
# 53 VAL QG2 98 ILE HA 3.93 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1,1524, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 818, 819, 820,
&end
#
# 53 VAL QG2 98 ILE HN 4.26 (#SUP 1.00 #QF 0.64)
&rst
ixpk= 1, nxpk= 0, iat= -1,1522, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 818, 819, 820,
&end
#
# 53 VAL QG2 98 ILE QG1 3.82
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 818, 819, 820,
igr2=1532,1533,
&end
#
# 53 VAL QG2 99 GLY HN 5.50 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1541, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 818, 819, 820,
&end
#
# 54 TYR HA 55 MET HN 3.48 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 826, 845, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 54 TYR HA 95 ALA HA 3.79 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat= 826,1484, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 54 TYR HB3 55 MET HN 4.07 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat= 829, 845, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 54 TYR HB3 93 LYS QB 5.01
&rst
ixpk= 0, nxpk= 0, iat= 829, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=1445,1446,
&end
#
# 54 TYR HN 54 TYR HB2 3.54 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 824, 828, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 54 TYR HN 54 TYR HB3 3.60 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= 824, 829, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 54 TYR HN 54 TYR QD 3.66 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 824, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 832, 841,
&end
#
# 54 TYR HN 54 TYR QE 5.05 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 824, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 834, 839,
&end
#
# 54 TYR HN 95 ALA QB 4.75 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 824, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1486,1487,1488,
&end
#
# 54 TYR QD 55 MET HN 4.10 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 832, 841,
&end
#
# 54 TYR QD 90 SER QB 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 832, 841,
igr2=1405,1406,
&end
#
# 54 TYR QD 93 LYS HB2 3.75 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1445, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 832, 841,
&end
#
# 54 TYR QD 93 LYS HB3 3.75 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= -1,1446, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 832, 841,
&end
#
# 54 TYR QD 93 LYS HN 5.22 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,1441, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 832, 841,
&end
#
# 54 TYR QD 93 LYS QB 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 832, 841,
igr2=1445,1446,
&end
#
# 54 TYR QD 93 LYS QD 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 832, 841,
igr2=1451,1452,
&end
#
# 54 TYR QD 93 LYS QE 4.74 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 832, 841,
igr2=1454,1455,
&end
#
# 54 TYR QD 95 ALA HA 4.82 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1484, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 832, 841,
&end
#
# 54 TYR QD 95 ALA QB 3.80 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 832, 841,
igr2=1486,1487,1488,
&end
#
# 54 TYR QE 90 SER HN 4.36 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 834, 839,
&end
#
# 54 TYR QE 90 SER QB 3.41
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 834, 839,
igr2=1405,1406,
&end
#
# 54 TYR QE 93 LYS HB2 3.78 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1,1445, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 834, 839,
&end
#
# 54 TYR QE 93 LYS HB3 3.78 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1,1446, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 834, 839,
&end
#
# 54 TYR QE 93 LYS HN 4.27 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,1441, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 834, 839,
&end
#
# 54 TYR QE 93 LYS QB 3.26
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 834, 839,
igr2=1445,1446,
&end
#
# 54 TYR QE 93 LYS QD 4.05
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 834, 839,
igr2=1451,1452,
&end
#
# 54 TYR QE 93 LYS QE 3.96 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 834, 839,
igr2=1454,1455,
&end
#
# 54 TYR QE 95 ALA QB 4.07 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 834, 839,
igr2=1486,1487,1488,
&end
#
# 55 MET HA 55 MET HG2 4.16 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 847, 852, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 55 MET HA 56 CYX HN 3.29 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 847, 862, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 55 MET HB2 56 CYX HN 4.10 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 849, 862, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 55 MET HB2 59 LEU HN 4.62 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat= 849, 895, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 55 MET HB2 60 GLY QA 4.40 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 849, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 916, 917,
&end
#
# 55 MET HB3 55 MET QE 3.22 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat= 850, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 856, 857, 858,
&end
#
# 55 MET HB3 56 CYX HN 4.35 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 850, 862, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 55 MET HB3 60 GLY QA 4.85 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 850, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 916, 917,
&end
#
# 55 MET HG2 59 LEU QD1 5.22 (#SUP 0.99 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat= 852, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2= 904, 905, 906,
&end
#
# 55 MET HG2 94 LEU HB2 4.23 (#SUP 0.97 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 852,1467, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 55 MET HG2 94 LEU HB3 4.01 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 852,1468, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 55 MET HG2 94 LEU HG 4.97 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 852,1470, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 55 MET HG2 94 LEU QD1 4.46 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 852, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=1472,1473,1474,
&end
#
# 55 MET HG2 94 LEU QD2 4.25 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 852, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1476,1477,1478,
&end
#
# 55 MET HG2 95 ALA HA 4.34 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 852,1484, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 55 MET HG2 95 ALA HN 5.14 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 852,1482, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 55 MET HG2 95 ALA QB 4.49 (#SUP 0.56 #QF 0.56)
&rst
ixpk= 0, nxpk= 0, iat= 852, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1486,1487,1488,
&end
#
# 55 MET HG2 96 VAL QG2 5.42 (#SUP 0.99 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat= 852, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=1502,1503,1504,
&end
#
# 55 MET HG3 55 MET QE 3.20 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 853, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 856, 857, 858,
&end
#
# 55 MET HG3 56 CYX HN 5.23 (#SUP 1.00 #QF 0.99)
&rst
ixpk= 1, nxpk= 0, iat= 853, 862, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 55 MET HG3 59 LEU HB2 4.50 (#SUP 0.92 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat= 853, 899, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 55 MET HG3 59 LEU QD1 4.57 (#SUP 1.00 #QF 0.97)
&rst
ixpk= 1, nxpk= 0, iat= 853, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 904, 905, 906,
&end
#
# 55 MET HG3 94 LEU HB2 4.01 (#SUP 0.92 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat= 853,1467, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 55 MET HG3 94 LEU HB3 4.04 (#SUP 0.96 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 853,1468, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 55 MET HG3 94 LEU HG 5.02 (#SUP 0.94 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= 853,1470, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 55 MET HG3 94 LEU QD1 3.55 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat= 853, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2=1472,1473,1474,
&end
#
# 55 MET HG3 94 LEU QD2 3.39 (#SUP 0.77 #QF 0.47)
&rst
ixpk= 0, nxpk= 0, iat= 853, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1476,1477,1478,
&end
#
# 55 MET HG3 95 ALA HA 4.53 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat= 853,1484, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 55 MET HG3 95 ALA HN 5.15 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 853,1482, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 55 MET HG3 96 VAL QG2 4.46 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 853, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=1502,1503,1504,
&end
#
# 55 MET HN 55 MET HB2 4.05 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 845, 849, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 55 MET HN 55 MET HB3 4.01 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 845, 850, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 55 MET HN 55 MET HG2 3.68 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 845, 852, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 55 MET HN 55 MET HG3 3.85 (#SUP 1.00 #QF 0.67)
&rst
ixpk= 1, nxpk= 0, iat= 845, 853, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 55 MET HN 55 MET QE 4.74 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 856, 857, 858,
&end
#
# 55 MET HN 56 CYX HN 5.14 (#SUP 0.99 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 845, 862, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 55 MET HN 94 LEU HB2 4.82 (#SUP 0.57 #QF 0.29)
&rst
ixpk= 0, nxpk= 0, iat= 845,1467, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 55 MET HN 94 LEU HB3 4.30 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 845,1468, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 55 MET HN 94 LEU QD2 4.37 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1476,1477,1478,
&end
#
# 55 MET HN 95 ALA HA 3.74 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 845,1484, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 55 MET HN 95 ALA HN 5.50 (#SUP 0.99 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 845,1482, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 MET HN 95 ALA QB 4.10 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1486,1487,1488,
&end
#
# 55 MET HN 96 VAL HN 4.93 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat= 845,1492, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 55 MET QE 56 CYX HN 4.64 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, 862, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 856, 857, 858,
&end
#
# 55 MET QE 59 LEU HB2 4.09 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, 899, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 856, 857, 858,
&end
#
# 55 MET QE 59 LEU HB3 3.74 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, 900, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 856, 857, 858,
&end
#
# 55 MET QE 59 LEU HN 5.50 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, 895, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 856, 857, 858,
&end
#
# 55 MET QE 59 LEU QD1 2.74 (#SUP 0.99 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1= 856, 857, 858,
igr2= 904, 905, 906,
&end
#
# 55 MET QE 59 LEU QD2 4.15 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 856, 857, 858,
igr2= 908, 909, 910,
&end
#
# 55 MET QE 65 ALA QB 4.09 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 856, 857, 858,
igr2= 993, 994, 995,
&end
#
# 55 MET QE 87 PHE HE2 3.91 (#SUP 0.69 #QF 0.20)
&rst
ixpk= 0, nxpk= 0, iat= -1,1365, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 856, 857, 858,
&end
#
# 55 MET QE 87 PHE HZ 3.76 (#SUP 0.69 #QF 0.20)
&rst
ixpk= 0, nxpk= 0, iat= -1,1363, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 856, 857, 858,
&end
#
# 55 MET QE 87 PHE QD 4.82 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 856, 857, 858,
igr2=1359,1367,
&end
#
# 55 MET QE 94 LEU QD1 3.60 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 856, 857, 858,
igr2=1472,1473,1474,
&end
#
# 55 MET QE 94 LEU QD2 4.06 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 856, 857, 858,
igr2=1476,1477,1478,
&end
#
# 55 MET QE 96 VAL HB 4.55 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1,1496, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 856, 857, 858,
&end
#
# 55 MET QE 96 VAL HN 5.15 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1= 856, 857, 858,
&end
#
# 55 MET QE 96 VAL QG1 4.22 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 856, 857, 858,
igr2=1498,1499,1500,
&end
#
# 55 MET QE 96 VAL QG2 3.71 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 856, 857, 858,
igr2=1502,1503,1504,
&end
#
# 56 CYX HA 57 SER HA 5.01 (#SUP 0.64 #QF 0.36)
&rst
ixpk= 0, nxpk= 0, iat= 864, 874, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 56 CYX HB2 57 SER HN 4.68 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 866, 872, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 56 CYX HB3 57 SER HN 4.68 (#SUP 0.94 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= 867, 872, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 56 CYX HN 56 CYX HB2 4.03 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 862, 866, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 56 CYX HN 56 CYX HB3 4.03 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 862, 867, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 56 CYX HN 59 LEU HN 4.70 (#SUP 0.77 #QF 0.33)
&rst
ixpk= 0, nxpk= 0, iat= 862, 895, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 56 CYX QB 57 SER HN 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 872, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 866, 867,
&end
#
# 57 SER HA 59 LEU HN 4.38 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 874, 895, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 57 SER HA 60 GLY HN 3.96 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 874, 914, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 57 SER HA 60 GLY QA 3.94 (#SUP 0.74 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat= 874, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 916, 917,
&end
#
# 57 SER HN 57 SER QB 3.98 (#SUP 0.82 #QF 0.34)
&rst
ixpk= 0, nxpk= 0, iat= 872, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 876, 877,
&end
#
# 57 SER HN 58 ASP HN 4.12 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 872, 883, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 57 SER HN 59 LEU HN 5.37 (#SUP 0.77 #QF 0.33)
&rst
ixpk= 0, nxpk= 0, iat= 872, 895, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 58 ASP HN 58 ASP QB 3.31 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 883, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 887, 888,
&end
#
# 58 ASP HN 59 LEU HN 3.39 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 883, 895, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 58 ASP HN 60 GLY HN 4.64 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 883, 914, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 58 ASP QB 59 LEU HG 4.74 (#SUP 0.99 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 887, 888,
&end
#
# 58 ASP QB 59 LEU HN 4.03 (#SUP 0.96 #QF 0.24)
&rst
ixpk= 0, nxpk= 0, iat= -1, 895, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 887, 888,
&end
#
# 58 ASP QB 59 LEU QD1 5.39 (#SUP 0.85 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1= 887, 888,
igr2= 904, 905, 906,
&end
#
# 58 ASP QB 59 LEU QD2 4.72 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 887, 888,
igr2= 908, 909, 910,
&end
#
# 58 ASP QB 60 GLY HN 4.94 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= -1, 914, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 887, 888,
&end
#
# 59 LEU HA 59 LEU QD1 4.15 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 897, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 904, 905, 906,
&end
#
# 59 LEU HA 59 LEU QD2 3.21 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 897, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 908, 909, 910,
&end
#
# 59 LEU HA 64 LYS HB2 4.49 (#SUP 0.98 #QF 0.43)
&rst
ixpk= 0, nxpk= 0, iat= 897, 971, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 59 LEU HA 64 LYS HB3 4.49 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 897, 972, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 59 LEU HA 64 LYS QB 3.88
&rst
ixpk= 0, nxpk= 0, iat= 897, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 971, 972,
&end
#
# 59 LEU HA 64 LYS QD 5.34
&rst
ixpk= 0, nxpk= 0, iat= 897, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 977, 978,
&end
#
# 59 LEU HA 65 ALA HN 4.46 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 897, 989, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 59 LEU HB2 59 LEU QD1 3.66 (#SUP 1.00 #QF 0.86)
&rst
ixpk= 1, nxpk= 0, iat= 899, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 904, 905, 906,
&end
#
# 59 LEU HB2 59 LEU QD2 3.34 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 899, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 908, 909, 910,
&end
#
# 59 LEU HB2 60 GLY HN 4.50 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 899, 914, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 59 LEU HB3 59 LEU QD1 3.45 (#SUP 1.00 #QF 0.21)
&rst
ixpk= 1, nxpk= 0, iat= 900, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 904, 905, 906,
&end
#
# 59 LEU HB3 59 LEU QD2 3.38 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 900, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 908, 909, 910,
&end
#
# 59 LEU HB3 65 ALA HN 4.54 (#SUP 0.84 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat= 900, 989, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 59 LEU HB3 94 LEU QD1 3.40 (#SUP 0.99 #QF 0.43)
&rst
ixpk= 0, nxpk= 0, iat= 900, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2=1472,1473,1474,
&end
#
# 59 LEU HN 59 LEU HB2 3.51 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 895, 899, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 59 LEU HN 59 LEU HB3 3.92 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 895, 900, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 59 LEU HN 59 LEU HG 3.46 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 895, 902, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 59 LEU HN 59 LEU QD1 4.21 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 895, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 904, 905, 906,
&end
#
# 59 LEU HN 59 LEU QD2 4.06 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 895, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 908, 909, 910,
&end
#
# 59 LEU HN 60 GLY HN 3.29 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 895, 914, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 59 LEU HN 60 GLY QA 4.08 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 895, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 916, 917,
&end
#
# 59 LEU HN 61 THR HN 5.50 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 895, 921, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 LEU HN 64 LYS QB 4.57
&rst
ixpk= 0, nxpk= 0, iat= 895, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 971, 972,
&end
#
# 59 LEU QD1 65 ALA QB 4.24 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 904, 905, 906,
igr2= 993, 994, 995,
&end
#
# 59 LEU QD1 68 TYR HB3 4.84 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1,1034, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 904, 905, 906,
&end
#
# 59 LEU QD1 68 TYR QD 4.48 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 904, 905, 906,
igr2=1037,1046,
&end
#
# 59 LEU QD1 68 TYR QE 4.61 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 904, 905, 906,
igr2=1039,1044,
&end
#
# 59 LEU QD1 94 LEU QD1 4.16 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 904, 905, 906,
igr2=1472,1473,1474,
&end
#
# 59 LEU QD2 60 GLY HN 4.80 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, 914, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 908, 909, 910,
&end
#
# 59 LEU QD2 64 LYS QB 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 908, 909, 910,
igr2= 971, 972,
&end
#
# 59 LEU QD2 65 ALA HA 3.18 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, 991, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 908, 909, 910,
&end
#
# 59 LEU QD2 65 ALA HN 4.35 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, 989, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 908, 909, 910,
&end
#
# 59 LEU QD2 65 ALA QB 3.49 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 908, 909, 910,
igr2= 993, 994, 995,
&end
#
# 59 LEU QD2 68 TYR HB2 3.53 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,1033, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 908, 909, 910,
&end
#
# 59 LEU QD2 68 TYR HB3 3.61 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1034, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 908, 909, 910,
&end
#
# 59 LEU QD2 68 TYR HN 4.12 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,1029, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 908, 909, 910,
&end
#
# 59 LEU QD2 68 TYR QD 3.80 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 908, 909, 910,
igr2=1037,1046,
&end
#
# 59 LEU QD2 68 TYR QE 4.86 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 908, 909, 910,
igr2=1039,1044,
&end
#
# 60 GLY HN 61 THR HN 3.86 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 914, 921, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 60 GLY HN 64 LYS HD2 5.02 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 914, 977, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 60 GLY HN 64 LYS HD3 5.02 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 914, 978, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 60 GLY HN 64 LYS QB 3.74
&rst
ixpk= 1, nxpk= 0, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 971, 972,
&end
#
# 60 GLY HN 94 LEU HB2 5.50 (#SUP 0.69 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat= 914,1467, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 GLY QA 61 THR QG2 5.50 (#SUP 0.79 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 916, 917,
igr2= 927, 928, 929,
&end
#
# 60 GLY QA 93 LYS QG 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 916, 917,
igr2=1448,1449,
&end
#
# 60 GLY QA 94 LEU HB2 4.67 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= -1,1467, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 916, 917,
&end
#
# 60 GLY QA 94 LEU HB3 5.37 (#SUP 0.97 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat= -1,1468, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 916, 917,
&end
#
# 60 GLY QA 94 LEU HN 4.65 (#SUP 0.67 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat= -1,1463, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 916, 917,
&end
#
# 61 THR HA 62 LYS HN 3.30 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 923, 935, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 61 THR HB 62 LYS HN 3.60 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 925, 935, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 61 THR HB 63 ALA HN 3.87 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat= 925, 957, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 61 THR HN 61 THR QG2 4.00 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 921, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 927, 928, 929,
&end
#
# 61 THR HN 62 LYS HN 4.60 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 921, 935, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 61 THR HN 64 LYS HA 5.25 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 921, 969, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 61 THR HN 64 LYS HB2 3.80 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 921, 971, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 61 THR HN 64 LYS HB3 3.80 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 921, 972, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 61 THR HN 64 LYS HD2 4.22 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 921, 977, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 61 THR HN 64 LYS HD3 4.22 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 921, 978, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 61 THR HN 64 LYS HN 4.01 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 921, 967, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 61 THR HN 64 LYS QB 3.02
&rst
ixpk= 1, nxpk= 0, iat= 921, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr2= 971, 972,
&end
#
# 61 THR HN 64 LYS QE 5.05 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 921, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 980, 981,
&end
#
# 61 THR HN 64 LYS QG 3.70
&rst
ixpk= 0, nxpk= 0, iat= 921, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 974, 975,
&end
#
# 61 THR HN 65 ALA HN 4.58 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 921, 989, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 61 THR HN 94 LEU HB2 5.43 (#SUP 0.66 #QF 0.23)
&rst
ixpk= 0, nxpk= 0, iat= 921,1467, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 61 THR HN 94 LEU QD1 5.50 (#SUP 0.66 #QF 0.23)
&rst
ixpk= 0, nxpk= 0, iat= 921, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1472,1473,1474,
&end
#
# 61 THR QG2 62 LYS HN 3.97 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 927, 928, 929,
&end
#
# 61 THR QG2 63 ALA HN 5.00 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 927, 928, 929,
&end
#
# 61 THR QG2 64 LYS HN 4.40 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 927, 928, 929,
&end
#
# 62 LYS HA 62 LYS HE2 4.88 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 937, 948, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 62 LYS HA 62 LYS HE3 4.88 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 937, 949, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 62 LYS HA 62 LYS HG2 3.70 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 937, 942, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 62 LYS HA 62 LYS HG3 3.70 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 937, 943, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 62 LYS HA 62 LYS QD 3.55 (#SUP 0.98 #QF 0.48)
&rst
ixpk= 0, nxpk= 0, iat= 937, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 945, 946,
&end
#
# 62 LYS HA 62 LYS QG 3.20
&rst
ixpk= 0, nxpk= 0, iat= 937, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 942, 943,
&end
#
# 62 LYS HA 65 ALA HN 4.14 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 937, 989, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 62 LYS HA 65 ALA QB 3.44 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 937, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 993, 994, 995,
&end
#
# 62 LYS HA 66 VAL HN 4.74 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 937, 999, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 62 LYS HA 66 VAL QG2 4.14 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 937, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1009,1010,1011,
&end
#
# 62 LYS HA 82 PHE HZ 4.97 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 937,1271, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 62 LYS HA 82 PHE QE 4.17 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 937, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1269,1273,
&end
#
# 62 LYS HA 89 VAL QQG 4.96
&rst
ixpk= 0, nxpk= 0, iat= 937, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr2=1391,1392,1393,1395,1396,1397,
&end
#
# 62 LYS HA 94 LEU QD1 3.16 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat= 937, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=1472,1473,1474,
&end
#
# 62 LYS HB2 62 LYS HE2 4.72 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 939, 948, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 62 LYS HB2 62 LYS HE3 4.72 (#SUP 0.89 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= 939, 949, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 62 LYS HB2 63 ALA HN 3.74 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 939, 957, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 62 LYS HB2 82 PHE QD 5.50 (#SUP 0.83 #QF 0.58)
&rst
ixpk= 0, nxpk= 0, iat= 939, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1267,1275,
&end
#
# 62 LYS HB2 82 PHE QE 5.50 (#SUP 0.95 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= 939, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1269,1273,
&end
#
# 62 LYS HB2 89 VAL QQG 3.55
&rst
ixpk= 0, nxpk= 0, iat= 939, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1391,1392,1393,1395,1396,1397,
&end
#
# 62 LYS HB3 62 LYS HE2 5.27 (#SUP 0.91 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 940, 948, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 62 LYS HB3 62 LYS HE3 5.27 (#SUP 0.97 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 940, 949, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 62 LYS HB3 63 ALA HN 3.54 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 940, 957, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 62 LYS HB3 66 VAL QG2 3.92 (#SUP 0.65 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat= 940, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1009,1010,1011,
&end
#
# 62 LYS HB3 82 PHE QD 5.50 (#SUP 0.62 #QF 0.62)
&rst
ixpk= 0, nxpk= 0, iat= 940, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1267,1275,
&end
#
# 62 LYS HB3 82 PHE QE 4.99 (#SUP 0.93 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= 940, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1269,1273,
&end
#
# 62 LYS HB3 89 VAL QQG 4.42
&rst
ixpk= 0, nxpk= 0, iat= 940, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=1391,1392,1393,1395,1396,1397,
&end
#
# 62 LYS HE2 66 VAL QG2 5.19 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2=1009,1010,1011,
&end
#
# 62 LYS HE2 82 PHE QD 4.49 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1267,1275,
&end
#
# 62 LYS HE2 82 PHE QE 4.53 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1269,1273,
&end
#
# 62 LYS HE3 66 VAL QG2 5.19 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 949, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2=1009,1010,1011,
&end
#
# 62 LYS HE3 82 PHE QD 4.49 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 949, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1267,1275,
&end
#
# 62 LYS HE3 82 PHE QE 4.53 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= 949, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1269,1273,
&end
#
# 62 LYS HG2 62 LYS HE2 4.05 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 942, 948, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 62 LYS HG2 62 LYS HE3 4.05 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 942, 949, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 62 LYS HG2 82 PHE QE 4.73 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 942, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1269,1273,
&end
#
# 62 LYS HG3 62 LYS HE2 4.05 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 943, 948, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 62 LYS HG3 62 LYS HE3 4.05 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 943, 949, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 62 LYS HG3 82 PHE QE 4.73 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat= 943, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1269,1273,
&end
#
# 62 LYS HN 62 LYS HB2 3.59 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 935, 939, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 62 LYS HN 62 LYS HB3 3.67 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 935, 940, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 62 LYS HN 62 LYS QD 4.24 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= 935, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 945, 946,
&end
#
# 62 LYS HN 62 LYS QG 4.35
&rst
ixpk= 0, nxpk= 0, iat= 935, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 942, 943,
&end
#
# 62 LYS HN 63 ALA HN 3.67 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 935, 957, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 62 LYS HN 63 ALA QB 4.81 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 935, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 961, 962, 963,
&end
#
# 62 LYS HN 89 VAL QQG 3.80
&rst
ixpk= 0, nxpk= 0, iat= 935, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1391,1392,1393,1395,1396,1397,
&end
#
# 62 LYS HN 94 LEU QD1 4.38 (#SUP 0.70 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat= 935, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1472,1473,1474,
&end
#
# 62 LYS QD 82 PHE QD 3.87 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 945, 946,
igr2=1267,1275,
&end
#
# 62 LYS QD 82 PHE QE 3.93 (#SUP 1.00 #QF 0.54)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 945, 946,
igr2=1269,1273,
&end
#
# 62 LYS QD 89 VAL QQG 3.65
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 945, 946,
igr2=1391,1392,1393,1395,1396,1397,
&end
#
# 62 LYS QE 66 VAL QG2 4.55
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 948, 949,
igr2=1009,1010,1011,
&end
#
# 62 LYS QE 82 PHE QD 3.92
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 948, 949,
igr2=1267,1275,
&end
#
# 62 LYS QE 89 VAL QQG 3.51
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 948, 949,
igr2=1391,1392,1393,1395,1396,1397,
&end
#
# 62 LYS QE 94 LEU HG 5.34
&rst
ixpk= 1, nxpk= 0, iat= -1,1470, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 948, 949,
&end
#
# 62 LYS QE 94 LEU QD2 5.34
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 948, 949,
igr2=1476,1477,1478,
&end
#
# 62 LYS QG 62 LYS QE 2.90
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr1= 942, 943,
igr2= 948, 949,
&end
#
# 63 ALA HA 66 VAL HA 5.50 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 959,1001, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 ALA HA 66 VAL HB 3.31 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 959,1003, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 63 ALA HA 66 VAL HN 3.88 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 959, 999, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 63 ALA HA 66 VAL QG1 4.29 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1005,1006,1007,
&end
#
# 63 ALA HA 66 VAL QG2 3.58 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1009,1010,1011,
&end
#
# 63 ALA HA 67 ASN HN 4.39 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 959,1015, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 63 ALA HN 63 ALA QB 2.89 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr2= 961, 962, 963,
&end
#
# 63 ALA HN 64 LYS HN 3.78 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 957, 967, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 63 ALA HN 65 ALA HN 4.65 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 957, 989, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 63 ALA HN 66 VAL HB 5.42 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 957,1003, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 63 ALA QB 64 LYS HN 3.33 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 961, 962, 963,
&end
#
# 63 ALA QB 65 ALA HN 4.87 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, 989, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 961, 962, 963,
&end
#
# 63 ALA QB 66 VAL HB 4.27 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1003, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 961, 962, 963,
&end
#
# 63 ALA QB 66 VAL HN 5.07 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, 999, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 961, 962, 963,
&end
#
# 63 ALA QB 67 ASN HD21 4.94 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat= -1,1024, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 961, 962, 963,
&end
#
# 63 ALA QB 67 ASN HD22 5.50 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1,1025, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 961, 962, 963,
&end
#
# 63 ALA QB 67 ASN HN 4.48 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= -1,1015, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 961, 962, 963,
&end
#
# 64 LYS HA 64 LYS HD2 4.95 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 969, 977, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 64 LYS HA 64 LYS HD3 4.95 (#SUP 0.81 #QF 0.54)
&rst
ixpk= 0, nxpk= 0, iat= 969, 978, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 64 LYS HA 64 LYS HG2 4.02 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 969, 974, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 64 LYS HA 64 LYS HG3 4.02 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 969, 975, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 64 LYS HA 64 LYS QD 4.08
&rst
ixpk= 0, nxpk= 0, iat= 969, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 977, 978,
&end
#
# 64 LYS HA 64 LYS QE 3.72 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 969, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 980, 981,
&end
#
# 64 LYS HA 64 LYS QG 3.35
&rst
ixpk= 0, nxpk= 0, iat= 969, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 974, 975,
&end
#
# 64 LYS HA 67 ASN HB2 3.52 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 969,1019, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 64 LYS HA 67 ASN HB3 3.66 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 969,1020, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 64 LYS HA 67 ASN HD21 4.44 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 969,1024, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 64 LYS HA 67 ASN HD22 5.50 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 969,1025, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 LYS HA 67 ASN HN 3.85 (#SUP 0.37 #QF 0.37)
&rst
ixpk= 0, nxpk= 0, iat= 969,1015, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 64 LYS HA 68 TYR HN 4.87 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 969,1029, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 64 LYS HB2 65 ALA HN 3.93 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 971, 989, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 64 LYS HB3 65 ALA HN 3.93 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 972, 989, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 64 LYS HG2 64 LYS QE 4.06 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 974, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 980, 981,
&end
#
# 64 LYS HG3 64 LYS QE 4.06 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 975, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 980, 981,
&end
#
# 64 LYS HN 64 LYS HB2 3.68 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 967, 971, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 64 LYS HN 64 LYS HB3 3.68 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 967, 972, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 64 LYS HN 64 LYS HD2 4.91 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 967, 977, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 64 LYS HN 64 LYS HD3 4.91 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= 967, 978, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 64 LYS HN 64 LYS QB 3.10
&rst
ixpk= 0, nxpk= 0, iat= 967, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 971, 972,
&end
#
# 64 LYS HN 64 LYS QE 4.24 (#SUP 0.99 #QF 0.28)
&rst
ixpk= 0, nxpk= 0, iat= 967, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 980, 981,
&end
#
# 64 LYS HN 64 LYS QG 3.47
&rst
ixpk= 0, nxpk= 0, iat= 967, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 974, 975,
&end
#
# 64 LYS HN 65 ALA HN 3.40 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 967, 989, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 64 LYS HN 65 ALA QB 4.96 (#SUP 1.00 #QF 0.94)
&rst
ixpk= 1, nxpk= 0, iat= 967, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2= 993, 994, 995,
&end
#
# 64 LYS HN 66 VAL HN 4.80 (#SUP 0.99 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 967, 999, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 64 LYS QB 64 LYS QD 3.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 971, 972,
igr2= 977, 978,
&end
#
# 64 LYS QB 64 LYS QE 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 971, 972,
igr2= 980, 981,
&end
#
# 64 LYS QB 65 ALA HN 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 989, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 971, 972,
&end
#
# 65 ALA HA 66 VAL HA 4.92 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= 991,1001, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 65 ALA HA 66 VAL QG2 5.22 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat= 991, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2=1009,1010,1011,
&end
#
# 65 ALA HA 68 TYR HB2 4.40 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 991,1033, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 65 ALA HA 68 TYR HB3 4.23 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 991,1034, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 65 ALA HA 68 TYR HN 3.71 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat= 991,1029, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 65 ALA HA 69 LEU HN 4.52 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 991,1050, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 65 ALA HN 65 ALA QB 3.00 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 989, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 993, 994, 995,
&end
#
# 65 ALA HN 66 VAL HN 3.45 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 989, 999, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 65 ALA HN 66 VAL QG2 4.32 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 989, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1009,1010,1011,
&end
#
# 65 ALA HN 67 ASN HN 4.44 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 989,1015, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 65 ALA HN 94 LEU QD1 4.02 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= 989, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1472,1473,1474,
&end
#
# 65 ALA QB 66 VAL HA 4.28 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1001, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 993, 994, 995,
&end
#
# 65 ALA QB 66 VAL HN 3.43 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, 999, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 993, 994, 995,
&end
#
# 65 ALA QB 66 VAL QG2 3.43 (#SUP 0.91 #QF 0.21)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 993, 994, 995,
igr2=1009,1010,1011,
&end
#
# 65 ALA QB 68 TYR HB3 4.69 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1034, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 993, 994, 995,
&end
#
# 65 ALA QB 68 TYR HN 4.76 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1029, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 993, 994, 995,
&end
#
# 65 ALA QB 78 ILE QG2 4.33 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 993, 994, 995,
igr2=1202,1203,1204,
&end
#
# 65 ALA QB 82 PHE HZ 3.21 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1271, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1= 993, 994, 995,
&end
#
# 65 ALA QB 82 PHE QE 3.65 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 993, 994, 995,
igr2=1269,1273,
&end
#
# 65 ALA QB 87 PHE HE2 5.19 (#SUP 0.99 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1,1365, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 993, 994, 995,
&end
#
# 65 ALA QB 87 PHE QD 4.41 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 993, 994, 995,
igr2=1359,1367,
&end
#
# 65 ALA QB 94 LEU QD1 2.87 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 993, 994, 995,
igr2=1472,1473,1474,
&end
#
# 66 VAL HA 66 VAL QG1 3.14 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1005,1006,1007,
&end
#
# 66 VAL HA 66 VAL QG2 3.05 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2=1009,1010,1011,
&end
#
# 66 VAL HA 69 LEU HB2 4.06 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1001,1054, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 66 VAL HA 69 LEU HB3 4.51 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat=1001,1055, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 66 VAL HA 69 LEU HG 4.61 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1001,1057, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 66 VAL HA 69 LEU HN 4.10 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1001,1050, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 66 VAL HA 69 LEU QD1 3.81 (#SUP 1.00 #QF 0.91)
&rst
ixpk= 1, nxpk= 0, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1059,1060,1061,
&end
#
# 66 VAL HA 69 LEU QD2 5.16 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2=1063,1064,1065,
&end
#
# 66 VAL HA 70 THR HN 4.56 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1001,1069, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 66 VAL HA 78 ILE QD1 3.73 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=1209,1210,1211,
&end
#
# 66 VAL HA 78 ILE QG2 3.58 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1202,1203,1204,
&end
#
# 66 VAL HA 82 PHE HZ 4.45 (#SUP 0.59 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat=1001,1271, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 66 VAL HB 67 ASN HB2 4.66 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1003,1019, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 66 VAL HB 67 ASN HN 3.46 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1003,1015, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 66 VAL HB 78 ILE QG2 4.49 (#SUP 1.00 #QF 0.99)
&rst
ixpk= 1, nxpk= 0, iat=1003, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1202,1203,1204,
&end
#
# 66 VAL HN 66 VAL HB 3.26 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 999,1003, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 66 VAL HN 66 VAL QG1 3.88 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 999, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1005,1006,1007,
&end
#
# 66 VAL HN 66 VAL QG2 3.05 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 999, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2=1009,1010,1011,
&end
#
# 66 VAL HN 67 ASN HB2 4.76 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 999,1019, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 66 VAL HN 67 ASN HN 3.47 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 999,1015, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 66 VAL HN 68 TYR HN 4.97 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 999,1029, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 66 VAL HN 78 ILE QG2 4.86 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 999, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1202,1203,1204,
&end
#
# 66 VAL HN 82 PHE HZ 4.47 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 999,1271, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 66 VAL QG1 67 ASN HA 4.40 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1005,1006,1007,
&end
#
# 66 VAL QG1 67 ASN HN 3.80 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1015, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1005,1006,1007,
&end
#
# 66 VAL QG1 70 THR HB 4.32 (#SUP 0.36 #QF 0.36)
&rst
ixpk= 0, nxpk= 0, iat= -1,1073, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1005,1006,1007,
&end
#
# 66 VAL QG1 70 THR HN 4.65 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1,1069, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1005,1006,1007,
&end
#
# 66 VAL QG1 78 ILE HB 3.92 (#SUP 0.60 #QF 0.47)
&rst
ixpk= 0, nxpk= 0, iat= -1,1200, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1005,1006,1007,
&end
#
# 66 VAL QG1 78 ILE QG2 3.45 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1=1005,1006,1007,
igr2=1202,1203,1204,
&end
#
# 66 VAL QG1 82 PHE QE 4.74 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1=1005,1006,1007,
igr2=1269,1273,
&end
#
# 66 VAL QG2 67 ASN HB2 5.50 (#SUP 0.83 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat= -1,1019, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1009,1010,1011,
&end
#
# 66 VAL QG2 67 ASN HN 3.90 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,1015, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=1009,1010,1011,
&end
#
# 66 VAL QG2 78 ILE HA 5.34 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1=1009,1010,1011,
&end
#
# 66 VAL QG2 78 ILE HB 3.80 (#SUP 0.59 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat= -1,1200, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1009,1010,1011,
&end
#
# 66 VAL QG2 78 ILE QG2 2.98 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1009,1010,1011,
igr2=1202,1203,1204,
&end
#
# 66 VAL QG2 82 PHE HB2 5.50 (#SUP 0.83 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat= -1,1263, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1009,1010,1011,
&end
#
# 66 VAL QG2 82 PHE HZ 3.41 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,1271, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1=1009,1010,1011,
&end
#
# 66 VAL QG2 82 PHE QD 3.88 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=1009,1010,1011,
igr2=1267,1275,
&end
#
# 66 VAL QG2 82 PHE QE 3.44 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=1009,1010,1011,
igr2=1269,1273,
&end
#
# 67 ASN HA 67 ASN HD21 4.80 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1017,1024, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 67 ASN HA 67 ASN HD22 4.86 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1017,1025, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 67 ASN HA 70 THR HN 4.03 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat=1017,1069, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 67 ASN HA 70 THR QG2 4.10 (#SUP 0.48 #QF 0.48)
&rst
ixpk= 0, nxpk= 0, iat=1017, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1075,1076,1077,
&end
#
# 67 ASN HB2 67 ASN HD22 3.82 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1019,1025, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 67 ASN HB2 68 TYR HN 3.74 (#SUP 0.51 #QF 0.51)
&rst
ixpk= 0, nxpk= 0, iat=1019,1029, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 67 ASN HB3 67 ASN HD22 3.90 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1020,1025, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 67 ASN HB3 68 TYR HN 4.24 (#SUP 1.00 #QF 0.93)
&rst
ixpk= 1, nxpk= 0, iat=1020,1029, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 67 ASN HN 67 ASN HB2 3.13 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1015,1019, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 67 ASN HN 67 ASN HB3 3.08 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1015,1020, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 67 ASN HN 67 ASN HD21 4.84 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1015,1024, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 67 ASN HN 68 TYR HN 3.48 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1015,1029, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 68 TYR HA 68 TYR QD 4.32 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat=1031, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1037,1046,
&end
#
# 68 TYR HB2 69 LEU HN 4.18 (#SUP 0.69 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat=1033,1050, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 68 TYR HB3 69 LEU HN 3.98 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1034,1050, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 68 TYR HN 68 TYR HB2 3.25 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1029,1033, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 68 TYR HN 68 TYR HB3 3.31 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1029,1034, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 68 TYR HN 68 TYR QD 4.19 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1029, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1037,1046,
&end
#
# 68 TYR HN 69 LEU HB2 5.05 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=1029,1054, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 68 TYR HN 69 LEU HG 4.28 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat=1029,1057, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 68 TYR QD 69 LEU HG 4.37 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1,1057, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=1037,1046,
&end
#
# 68 TYR QD 69 LEU HN 4.23 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,1050, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1=1037,1046,
&end
#
# 68 TYR QD 69 LEU QD1 4.42 (#SUP 0.99 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=1037,1046,
igr2=1059,1060,1061,
&end
#
# 68 TYR QD 69 LEU QD2 3.36 (#SUP 0.74 #QF 0.58)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1037,1046,
igr2=1063,1064,1065,
&end
#
# 69 LEU HA 69 LEU HG 3.97 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1052,1057, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 69 LEU HA 69 LEU QD1 4.02 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1052, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1059,1060,1061,
&end
#
# 69 LEU HA 69 LEU QD2 3.19 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1052, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=1063,1064,1065,
&end
#
# 69 LEU HA 71 PRO HD2 4.39 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat=1052,1084, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 69 LEU HA 71 PRO HD3 5.06 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1052,1085, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 69 LEU HA 72 ILE QG2 4.72 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat=1052, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1103,1104,1105,
&end
#
# 69 LEU HA 73 PHE QD 3.89 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1052, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1124,1132,
&end
#
# 69 LEU HB2 69 LEU QD1 3.49 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1054, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1059,1060,1061,
&end
#
# 69 LEU HB2 70 THR HN 4.11 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1054,1069, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 69 LEU HB2 73 PHE QD 4.43 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1054, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1124,1132,
&end
#
# 69 LEU HB2 78 ILE QD1 4.24 (#SUP 1.00 #QF 0.99)
&rst
ixpk= 1, nxpk= 0, iat=1054, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=1209,1210,1211,
&end
#
# 69 LEU HB2 78 ILE QG2 4.70 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1054, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=1202,1203,1204,
&end
#
# 69 LEU HB3 69 LEU QD1 3.48 (#SUP 0.65 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat=1055, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=1059,1060,1061,
&end
#
# 69 LEU HB3 70 THR HN 4.68 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1055,1069, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 69 LEU HB3 73 PHE QD 4.21 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1055, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1124,1132,
&end
#
# 69 LEU HB3 78 ILE HG12 4.72 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat=1055,1206, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 69 LEU HB3 78 ILE QG2 4.98 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1055, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1202,1203,1204,
&end
#
# 69 LEU HG 70 THR HN 5.08 (#SUP 1.00 #QF 0.99)
&rst
ixpk= 1, nxpk= 0, iat=1057,1069, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 69 LEU HG 78 ILE QD1 5.50 (#SUP 1.00 #QF 0.99)
&rst
ixpk= 1, nxpk= 0, iat=1057, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1209,1210,1211,
&end
#
# 69 LEU HG 78 ILE QG2 5.17 (#SUP 1.00 #QF 0.99)
&rst
ixpk= 1, nxpk= 0, iat=1057, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2=1202,1203,1204,
&end
#
# 69 LEU HG 82 PHE HZ 5.37 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat=1057,1271, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 69 LEU HN 69 LEU HB2 3.74 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1050,1054, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 69 LEU HN 69 LEU HB3 4.00 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1050,1055, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 69 LEU HN 69 LEU HG 3.53 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1050,1057, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 69 LEU HN 69 LEU QD1 3.89 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1050, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1059,1060,1061,
&end
#
# 69 LEU HN 69 LEU QD2 3.85 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1050, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1063,1064,1065,
&end
#
# 69 LEU HN 70 THR HB 4.77 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat=1050,1073, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 69 LEU HN 70 THR HN 3.64 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1050,1069, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 69 LEU HN 71 PRO HD3 5.50 (#SUP 0.85 #QF 0.28)
&rst
ixpk= 0, nxpk= 0, iat=1050,1085, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 LEU HN 78 ILE QD1 4.06 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat=1050, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1209,1210,1211,
&end
#
# 69 LEU QD1 155 PHE HZ 4.57 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1,2460, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1059,1060,1061,
&end
#
# 69 LEU QD1 155 PHE QD 4.54 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1059,1060,1061,
igr2=2456,2464,
&end
#
# 69 LEU QD1 155 PHE QE 3.81 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1059,1060,1061,
igr2=2458,2462,
&end
#
# 69 LEU QD1 73 PHE QD 4.46 (#SUP 0.99 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1=1059,1060,1061,
igr2=1124,1132,
&end
#
# 69 LEU QD1 78 ILE HA 4.51 (#SUP 1.00 #QF 0.33)
&rst
ixpk= 1, nxpk= 0, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1059,1060,1061,
&end
#
# 69 LEU QD1 78 ILE QG2 3.01 (#SUP 1.00 #QF 0.89)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1=1059,1060,1061,
igr2=1202,1203,1204,
&end
#
# 69 LEU QD1 82 PHE HZ 3.59 (#SUP 0.62 #QF 0.62)
&rst
ixpk= 0, nxpk= 0, iat= -1,1271, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1=1059,1060,1061,
&end
#
# 69 LEU QD1 82 PHE QE 3.47 (#SUP 0.57 #QF 0.57)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=1059,1060,1061,
igr2=1269,1273,
&end
#
# 69 LEU QD1 87 PHE HE2 4.60 (#SUP 0.46 #QF 0.46)
&rst
ixpk= 0, nxpk= 0, iat= -1,1365, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1059,1060,1061,
&end
#
# 69 LEU QD2 155 PHE QD 4.49 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1063,1064,1065,
igr2=2456,2464,
&end
#
# 69 LEU QD2 155 PHE QE 3.42 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=1063,1064,1065,
igr2=2458,2462,
&end
#
# 69 LEU QD2 72 ILE QG2 4.60 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1=1063,1064,1065,
igr2=1103,1104,1105,
&end
#
# 69 LEU QD2 73 PHE QD 3.57 (#SUP 0.74 #QF 0.58)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr1=1063,1064,1065,
igr2=1124,1132,
&end
#
# 69 LEU QD2 73 PHE QE 3.92 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1063,1064,1065,
igr2=1126,1130,
&end
#
# 69 LEU QD2 78 ILE HG12 4.64 (#SUP 0.62 #QF 0.62)
&rst
ixpk= 0, nxpk= 0, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1063,1064,1065,
&end
#
# 69 LEU QD2 78 ILE QG2 4.54 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1=1063,1064,1065,
igr2=1202,1203,1204,
&end
#
# 70 THR HA 70 THR QG2 3.43 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1071, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1075,1076,1077,
&end
#
# 70 THR HA 73 PHE HN 4.07 (#SUP 0.97 #QF 0.41)
&rst
ixpk= 0, nxpk= 0, iat=1071,1116, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 70 THR HA 78 ILE QD1 3.22 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1071, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=1209,1210,1211,
&end
#
# 70 THR HB 71 PRO HD2 3.84 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1073,1084, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 70 THR HB 71 PRO HD3 3.69 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1073,1085, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 70 THR HB 71 PRO HG2 4.64 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1073,1087, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 70 THR HB 71 PRO HG3 4.64 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1073,1088, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 70 THR HB 71 PRO QG 4.05
&rst
ixpk= 0, nxpk= 0, iat=1073, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1087,1088,
&end
#
# 70 THR HB 78 ILE QD1 4.09 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1073, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1209,1210,1211,
&end
#
# 70 THR HN 70 THR HB 3.26 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1069,1073, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 70 THR HN 70 THR QG2 3.76 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1069, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=1075,1076,1077,
&end
#
# 70 THR HN 71 PRO HB2 5.50 (#SUP 1.00 #QF 0.99)
&rst
ixpk= 1, nxpk= 0, iat=1069,1090, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 THR HN 71 PRO HD2 3.91 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1069,1084, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 70 THR HN 71 PRO HD3 3.82 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1069,1085, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 70 THR HN 71 PRO QG 4.70
&rst
ixpk= 1, nxpk= 0, iat=1069, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1087,1088,
&end
#
# 70 THR HN 72 ILE HN 5.05 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1069,1097, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 70 THR HN 78 ILE QD1 3.94 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1069, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1209,1210,1211,
&end
#
# 70 THR QG2 151 LYS QE 4.46
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1=1075,1076,1077,
igr2=2392,2393,
&end
#
# 70 THR QG2 71 PRO HA 3.99 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1093, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1075,1076,1077,
&end
#
# 70 THR QG2 71 PRO HB2 4.90 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= -1,1090, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1075,1076,1077,
&end
#
# 70 THR QG2 71 PRO HD2 3.73 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,1084, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=1075,1076,1077,
&end
#
# 70 THR QG2 71 PRO HD3 3.47 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,1085, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1=1075,1076,1077,
&end
#
# 70 THR QG2 71 PRO QG 3.63
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1075,1076,1077,
igr2=1087,1088,
&end
#
# 70 THR QG2 72 ILE HN 4.64 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1075,1076,1077,
&end
#
# 70 THR QG2 73 PHE HN 5.50 (#SUP 0.63 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1075,1076,1077,
&end
#
# 70 THR QG2 78 ILE QD1 3.92 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1=1075,1076,1077,
igr2=1209,1210,1211,
&end
#
# 71 PRO HA 149 LYS QD 4.94 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat=1093, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=2343,2344,
&end
#
# 71 PRO HA 149 LYS QE 4.39 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat=1093, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2=2346,2347,
&end
#
# 71 PRO HA 151 LYS HE2 4.68 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1093,2392, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 71 PRO HA 151 LYS HE3 4.68 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat=1093,2393, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 71 PRO HA 151 LYS QE 3.99
&rst
ixpk= 0, nxpk= 0, iat=1093, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=2392,2393,
&end
#
# 71 PRO HB2 72 ILE HN 4.30 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1090,1097, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 71 PRO HB2 72 ILE QD1 4.46 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=1110,1111,1112,
&end
#
# 71 PRO HB2 72 ILE QG2 5.44 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr2=1103,1104,1105,
&end
#
# 71 PRO HB3 72 ILE HN 4.21 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1091,1097, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 71 PRO HB3 72 ILE QD1 3.58 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat=1091, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1110,1111,1112,
&end
#
# 71 PRO HD2 72 ILE HN 3.96 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1084,1097, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 71 PRO HD2 73 PHE HN 4.77 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1084,1116, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 71 PRO HD3 72 ILE HN 4.21 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1085,1097, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 71 PRO HG2 72 ILE HN 4.79 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1087,1097, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 71 PRO HG3 72 ILE HN 4.79 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1088,1097, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 71 PRO QG 72 ILE HN 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1=1087,1088,
&end
#
# 72 ILE HA 72 ILE QD1 3.26 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1099, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1110,1111,1112,
&end
#
# 72 ILE HA 72 ILE QG2 3.53 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1099, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1103,1104,1105,
&end
#
# 72 ILE HB 72 ILE QD1 3.40 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1101, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2=1110,1111,1112,
&end
#
# 72 ILE HB 73 PHE HN 3.90 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1101,1116, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 72 ILE HB 73 PHE QD 4.15 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat=1101, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1124,1132,
&end
#
# 72 ILE HN 72 ILE HB 3.53 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1097,1101, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 72 ILE HN 72 ILE HG12 4.51 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1097,1107, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 72 ILE HN 72 ILE HG13 4.51 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1097,1108, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 72 ILE HN 72 ILE QD1 3.93 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1110,1111,1112,
&end
#
# 72 ILE HN 72 ILE QG1 3.91
&rst
ixpk= 0, nxpk= 0, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2=1107,1108,
&end
#
# 72 ILE HN 72 ILE QG2 3.83 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1103,1104,1105,
&end
#
# 72 ILE HN 73 PHE HB2 5.25 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1097,1120, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 72 ILE HN 73 PHE HN 3.07 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1097,1116, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 72 ILE HN 73 PHE QD 4.78 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1124,1132,
&end
#
# 72 ILE QD1 73 PHE QD 5.35 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1110,1111,1112,
igr2=1124,1132,
&end
#
# 72 ILE QG1 73 PHE HN 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=1107,1108,
&end
#
# 72 ILE QG1 73 PHE QD 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1107,1108,
igr2=1124,1132,
&end
#
# 72 ILE QG2 152 VAL HB 3.97 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1,2405, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1103,1104,1105,
&end
#
# 72 ILE QG2 152 VAL QQG 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1=1103,1104,1105,
igr2=2407,2408,2409,2411,2412,2413,
&end
#
# 72 ILE QG2 72 ILE HG12 3.67 (#SUP 0.98 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= -1,1107, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1103,1104,1105,
&end
#
# 72 ILE QG2 72 ILE HG13 3.67 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,1108, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1103,1104,1105,
&end
#
# 72 ILE QG2 72 ILE QD1 3.28 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=1103,1104,1105,
igr2=1110,1111,1112,
&end
#
# 72 ILE QG2 72 ILE QG1 3.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1=1103,1104,1105,
igr2=1107,1108,
&end
#
# 72 ILE QG2 73 PHE HA 4.87 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1118, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1=1103,1104,1105,
&end
#
# 72 ILE QG2 73 PHE HB2 4.65 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,1120, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1103,1104,1105,
&end
#
# 72 ILE QG2 73 PHE HN 3.78 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1103,1104,1105,
&end
#
# 72 ILE QG2 73 PHE HZ 4.35 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,1128, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1103,1104,1105,
&end
#
# 72 ILE QG2 73 PHE QD 3.52 (#SUP 0.72 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=1103,1104,1105,
igr2=1124,1132,
&end
#
# 72 ILE QG2 73 PHE QE 3.71 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1=1103,1104,1105,
igr2=1126,1130,
&end
#
# 73 PHE HA 151 LYS QB 4.03
&rst
ixpk= 0, nxpk= 0, iat=1118, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=2383,2384,
&end
#
# 73 PHE HA 152 VAL HB 4.21 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1118,2405, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 73 PHE HA 152 VAL HN 3.92 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1118,2401, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 73 PHE HA 152 VAL QG1 4.60 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1118, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=2407,2408,2409,
&end
#
# 73 PHE HA 152 VAL QG2 4.60 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat=1118, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=2411,2412,2413,
&end
#
# 73 PHE HA 152 VAL QQG 4.01
&rst
ixpk= 0, nxpk= 0, iat=1118, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2=2407,2408,2409,2411,2412,2413,
&end
#
# 73 PHE HA 73 PHE QD 3.72 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1118, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=1124,1132,
&end
#
# 73 PHE HA 74 THR HN 3.33 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1118,1136, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 73 PHE HA 74 THR QG2 3.96 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat=1118, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1142,1143,1144,
&end
#
# 73 PHE HA 77 ALA QB 3.84 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1118, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1190,1191,1192,
&end
#
# 73 PHE HB2 74 THR HN 4.18 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1120,1136, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 73 PHE HB2 77 ALA QB 3.77 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1120, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1190,1191,1192,
&end
#
# 73 PHE HB2 78 ILE HG12 4.47 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1120,1206, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 73 PHE HB2 78 ILE HG13 4.26 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1120,1207, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 73 PHE HB2 78 ILE HN 4.55 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1120,1196, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 73 PHE HB2 78 ILE QD1 3.67 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1120, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1209,1210,1211,
&end
#
# 73 PHE HB2 78 ILE QG2 4.49 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=1120, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1202,1203,1204,
&end
#
# 73 PHE HB3 74 THR HN 3.92 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1121,1136, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 73 PHE HB3 77 ALA QB 3.37 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1121, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=1190,1191,1192,
&end
#
# 73 PHE HB3 78 ILE HG12 4.50 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1121,1206, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 73 PHE HB3 78 ILE HN 4.46 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1121,1196, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 73 PHE HB3 78 ILE QD1 4.24 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1121, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=1209,1210,1211,
&end
#
# 73 PHE HN 152 VAL QQG 5.44
&rst
ixpk= 1, nxpk= 0, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2=2407,2408,2409,2411,2412,2413,
&end
#
# 73 PHE HN 73 PHE HB2 3.72 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1116,1120, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 73 PHE HN 73 PHE QD 3.87 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1124,1132,
&end
#
# 73 PHE HN 74 THR HN 4.80 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat=1116,1136, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 73 PHE HN 78 ILE QD1 4.08 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2=1209,1210,1211,
&end
#
# 73 PHE HZ 155 PHE HA 4.58 (#SUP 0.59 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat=1128,2450, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 73 PHE HZ 157 ALA QB 5.14 (#SUP 0.86 #QF 0.22)
&rst
ixpk= 0, nxpk= 0, iat=1128, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2484,2485,2486,
&end
#
# 73 PHE QD 152 VAL HB 3.71 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= -1,2405, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1=1124,1132,
&end
#
# 73 PHE QD 152 VAL HN 4.55 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1,2401, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1=1124,1132,
&end
#
# 73 PHE QD 152 VAL QQG 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1124,1132,
igr2=2407,2408,2409,2411,2412,2413,
&end
#
# 73 PHE QD 154 GLN HN 4.03 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= -1,2431, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1=1124,1132,
&end
#
# 73 PHE QD 155 PHE HA 3.90 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= -1,2450, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1124,1132,
&end
#
# 73 PHE QD 155 PHE QD 4.98 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1=1124,1132,
igr2=2456,2464,
&end
#
# 73 PHE QD 157 ALA QB 4.70 (#SUP 0.98 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1=1124,1132,
igr2=2484,2485,2486,
&end
#
# 73 PHE QD 73 PHE HZ 4.08 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= -1,1128, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1124,1132,
&end
#
# 73 PHE QD 74 THR HN 4.19 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1136, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1=1124,1132,
&end
#
# 73 PHE QD 77 ALA QB 3.73 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=1124,1132,
igr2=1190,1191,1192,
&end
#
# 73 PHE QD 78 ILE QD1 4.31 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1124,1132,
igr2=1209,1210,1211,
&end
#
# 73 PHE QE 152 VAL HB 4.39 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,2405, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1=1126,1130,
&end
#
# 73 PHE QE 152 VAL QG1 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=1126,1130,
igr2=2407,2408,2409,
&end
#
# 73 PHE QE 152 VAL QG2 4.34 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1=1126,1130,
igr2=2411,2412,2413,
&end
#
# 73 PHE QE 152 VAL QQG 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1126,1130,
igr2=2407,2408,2409,2411,2412,2413,
&end
#
# 73 PHE QE 155 PHE HA 3.89 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= -1,2450, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1=1126,1130,
&end
#
# 73 PHE QE 157 ALA HN 4.67 (#SUP 0.64 #QF 0.64)
&rst
ixpk= 0, nxpk= 0, iat= -1,2480, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1126,1130,
&end
#
# 74 THR HA 151 LYS HD2 4.59 (#SUP 0.32 #QF 0.32)
&rst
ixpk= 0, nxpk= 0, iat=1138,2389, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 74 THR HA 151 LYS HD3 4.59 (#SUP 0.77 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat=1138,2390, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 74 THR HA 151 LYS QB 4.18
&rst
ixpk= 0, nxpk= 0, iat=1138, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2=2383,2384,
&end
#
# 74 THR HA 74 THR QG2 3.31 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1138, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=1142,1143,1144,
&end
#
# 74 THR HA 75 LYS HA 4.43 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1138,1152, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 74 THR HA 75 LYS HN 3.29 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1138,1150, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 74 THR HA 75 LYS QB 4.45 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat=1138, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2=1154,1155,
&end
#
# 74 THR HA 77 ALA QB 4.61 (#SUP 0.64 #QF 0.64)
&rst
ixpk= 0, nxpk= 0, iat=1138, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1190,1191,1192,
&end
#
# 74 THR HG1 75 LYS HN 4.72 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1146,1150, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 74 THR HG1 76 THR HN 4.37 (#SUP 0.96 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1146,1172, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 74 THR HG1 77 ALA HN 3.52 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat=1146,1186, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 74 THR HG1 77 ALA QB 3.91 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat=1146, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1190,1191,1192,
&end
#
# 74 THR HN 151 LYS HB2 5.17 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat=1136,2383, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 74 THR HN 151 LYS HB3 5.17 (#SUP 0.62 #QF 0.62)
&rst
ixpk= 0, nxpk= 0, iat=1136,2384, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 74 THR HN 151 LYS QB 4.54
&rst
ixpk= 0, nxpk= 0, iat=1136, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=2383,2384,
&end
#
# 74 THR HN 152 VAL HN 4.55 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1136,2401, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 74 THR HN 153 ASN HA 4.14 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1136,2419, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 74 THR HN 153 ASN HN 5.45 (#SUP 1.00 #QF 0.28)
&rst
ixpk= 1, nxpk= 0, iat=1136,2417, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 74 THR HN 154 GLN HN 4.89 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat=1136,2431, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 74 THR HN 74 THR HG1 4.48 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1136,1146, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 74 THR HN 74 THR QG2 3.15 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1136, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=1142,1143,1144,
&end
#
# 74 THR HN 75 LYS HN 4.70 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat=1136,1150, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 74 THR HN 77 ALA QB 3.31 (#SUP 1.00 #QF 0.89)
&rst
ixpk= 1, nxpk= 0, iat=1136, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=1190,1191,1192,
&end
#
# 74 THR HN 78 ILE HG13 4.63 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat=1136,1207, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 74 THR HN 78 ILE HN 4.95 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1136,1196, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 74 THR HN 78 ILE QD1 4.66 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat=1136, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1209,1210,1211,
&end
#
# 74 THR QG2 143 PHE HA 5.14 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= -1,2226, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1142,1143,1144,
&end
#
# 74 THR QG2 144 VAL HB 3.23 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat= -1,2248, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1=1142,1143,1144,
&end
#
# 74 THR QG2 144 VAL HN 4.12 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= -1,2244, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1142,1143,1144,
&end
#
# 74 THR QG2 151 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=1142,1143,1144,
igr2=2392,2393,
&end
#
# 74 THR QG2 153 ASN HA 3.52 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1,2419, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1=1142,1143,1144,
&end
#
# 74 THR QG2 153 ASN HB2 4.13 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,2421, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=1142,1143,1144,
&end
#
# 74 THR QG2 153 ASN HB3 3.95 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1,2422, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=1142,1143,1144,
&end
#
# 74 THR QG2 153 ASN HN 5.01 (#SUP 0.89 #QF 0.28)
&rst
ixpk= 0, nxpk= 0, iat= -1,2417, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1=1142,1143,1144,
&end
#
# 74 THR QG2 74 THR HG1 3.54 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1,1146, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=1142,1143,1144,
&end
#
# 74 THR QG2 75 LYS HN 3.88 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1,1150, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=1142,1143,1144,
&end
#
# 74 THR QG2 76 THR HN 4.85 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= -1,1172, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1=1142,1143,1144,
&end
#
# 74 THR QG2 77 ALA HN 4.65 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1142,1143,1144,
&end
#
# 74 THR QG2 77 ALA QB 3.61 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1=1142,1143,1144,
igr2=1190,1191,1192,
&end
#
# 75 LYS HA 75 LYS HG2 3.77 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1152,1157, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 75 LYS HA 75 LYS HG3 3.77 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1152,1158, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 75 LYS HA 75 LYS QB 2.99 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1152, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1154,1155,
&end
#
# 75 LYS HA 75 LYS QD 3.87 (#SUP 0.89 #QF 0.25)
&rst
ixpk= 0, nxpk= 0, iat=1152, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1160,1161,
&end
#
# 75 LYS HA 75 LYS QG 3.29
&rst
ixpk= 0, nxpk= 0, iat=1152, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2=1157,1158,
&end
#
# 75 LYS HA 78 ILE HB 3.94 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1152,1200, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 75 LYS HA 78 ILE HN 4.06 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1152,1196, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 75 LYS HA 78 ILE QD1 3.35 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1152, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1209,1210,1211,
&end
#
# 75 LYS HA 78 ILE QG2 4.82 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1152, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=1202,1203,1204,
&end
#
# 75 LYS HA 79 GLU HN 4.50 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat=1152,1215, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 75 LYS HG2 75 LYS QE 3.63 (#SUP 0.93 #QF 0.50)
&rst
ixpk= 0, nxpk= 0, iat=1157, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1163,1164,
&end
#
# 75 LYS HG2 76 THR HN 4.72 (#SUP 0.67 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat=1157,1172, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 75 LYS HG3 75 LYS QE 3.63 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat=1158, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1163,1164,
&end
#
# 75 LYS HG3 76 THR HN 4.72 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1158,1172, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 75 LYS HN 75 LYS HG2 4.61 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1150,1157, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 75 LYS HN 75 LYS HG3 4.61 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1150,1158, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 75 LYS HN 75 LYS QB 3.26 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1150, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2=1154,1155,
&end
#
# 75 LYS HN 75 LYS QD 4.55 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1150, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2=1160,1161,
&end
#
# 75 LYS HN 76 THR HN 3.69 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1150,1172, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 75 LYS HN 77 ALA HN 4.73 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat=1150,1186, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 75 LYS QB 75 LYS QE 4.62 (#SUP 0.95 #QF 0.40)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1=1154,1155,
igr2=1163,1164,
&end
#
# 75 LYS QB 76 THR HN 3.29 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1,1172, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr1=1154,1155,
&end
#
# 75 LYS QB 77 ALA HN 5.09 (#SUP 0.63 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=1154,1155,
&end
#
# 75 LYS QD 76 THR HA 5.50 (#SUP 1.00 #QF 0.86)
&rst
ixpk= 1, nxpk= 0, iat= -1,1174, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1160,1161,
&end
#
# 75 LYS QD 76 THR HN 4.76 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1172, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1160,1161,
&end
#
# 75 LYS QD 79 GLU HG3 4.49 (#SUP 0.97 #QF 0.22)
&rst
ixpk= 0, nxpk= 0, iat= -1,1223, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1160,1161,
&end
#
# 75 LYS QG 76 THR HA 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1174, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1=1157,1158,
&end
#
# 75 LYS QG 76 THR HN 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1,1172, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1157,1158,
&end
#
# 75 LYS QG 79 GLU HG2 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1,1222, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1=1157,1158,
&end
#
# 75 LYS QG 79 GLU HG3 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1223, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1=1157,1158,
&end
#
# 76 THR HA 76 THR QG2 3.34 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1174, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1178,1179,1180,
&end
#
# 76 THR HA 78 ILE HB 5.50 (#SUP 1.00 #QF 0.86)
&rst
ixpk= 1, nxpk= 0, iat=1174,1200, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 THR HA 78 ILE HN 4.75 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat=1174,1196, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 76 THR HA 79 GLU HG2 4.55 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1174,1222, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 76 THR HA 79 GLU HG3 3.93 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1174,1223, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 76 THR HA 79 GLU HN 3.62 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat=1174,1215, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 76 THR HA 79 GLU QB 3.12 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1174, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2=1219,1220,
&end
#
# 76 THR HA 80 LYS HN 4.58 (#SUP 0.99 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1174,1230, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 76 THR HB 77 ALA HN 4.10 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1176,1186, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 76 THR HN 76 THR HB 3.28 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1172,1176, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 76 THR HN 76 THR HG1 4.90 (#SUP 0.96 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1172,1182, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 76 THR HN 76 THR QG2 3.85 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1172, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1178,1179,1180,
&end
#
# 76 THR HN 77 ALA HN 3.39 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1172,1186, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 76 THR HN 77 ALA QB 5.03 (#SUP 0.99 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1172, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=1190,1191,1192,
&end
#
# 76 THR HN 78 ILE HN 4.58 (#SUP 0.66 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat=1172,1196, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 76 THR QG2 77 ALA HA 3.74 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1188, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1178,1179,1180,
&end
#
# 76 THR QG2 77 ALA HN 3.63 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1=1178,1179,1180,
&end
#
# 76 THR QG2 78 ILE HN 4.94 (#SUP 0.61 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat= -1,1196, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1178,1179,1180,
&end
#
# 77 ALA HA 154 GLN HA 4.04 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1188,2433, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 77 ALA HA 155 PHE HN 4.64 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat=1188,2448, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 77 ALA HA 80 LYS HN 4.14 (#SUP 0.42 #QF 0.42)
&rst
ixpk= 0, nxpk= 0, iat=1188,1230, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 77 ALA HA 80 LYS QB 3.43
&rst
ixpk= 0, nxpk= 0, iat=1188, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2=1234,1235,
&end
#
# 77 ALA HN 153 ASN HA 4.40 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat=1186,2419, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 77 ALA HN 77 ALA QB 3.04 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1186, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2=1190,1191,1192,
&end
#
# 77 ALA HN 78 ILE HB 5.41 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1186,1200, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 77 ALA HN 78 ILE HN 3.52 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1186,1196, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 77 ALA QB 153 ASN HA 3.43 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,2419, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1=1190,1191,1192,
&end
#
# 77 ALA QB 153 ASN HB2 4.33 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1,2421, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=1190,1191,1192,
&end
#
# 77 ALA QB 153 ASN HN 5.08 (#SUP 1.00 #QF 0.98)
&rst
ixpk= 1, nxpk= 0, iat= -1,2417, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=1190,1191,1192,
&end
#
# 77 ALA QB 154 GLN HA 3.46 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= -1,2433, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1=1190,1191,1192,
&end
#
# 77 ALA QB 154 GLN HN 3.60 (#SUP 1.00 #QF 0.92)
&rst
ixpk= 1, nxpk= 0, iat= -1,2431, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1=1190,1191,1192,
&end
#
# 77 ALA QB 155 PHE HA 4.26 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,2450, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1190,1191,1192,
&end
#
# 77 ALA QB 155 PHE HB2 4.15 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1,2452, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1=1190,1191,1192,
&end
#
# 77 ALA QB 155 PHE HN 3.73 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,2448, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=1190,1191,1192,
&end
#
# 77 ALA QB 155 PHE QD 4.83 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=1190,1191,1192,
igr2=2456,2464,
&end
#
# 77 ALA QB 78 ILE HA 4.23 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=1190,1191,1192,
&end
#
# 77 ALA QB 78 ILE HG12 4.55 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=1190,1191,1192,
&end
#
# 77 ALA QB 78 ILE HN 3.44 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,1196, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1=1190,1191,1192,
&end
#
# 77 ALA QB 79 GLU HN 4.96 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= -1,1215, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=1190,1191,1192,
&end
#
# 78 ILE HA 155 PHE QD 4.80 (#SUP 0.67 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=2456,2464,
&end
#
# 78 ILE HA 78 ILE HG12 3.66 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1198,1206, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 78 ILE HA 78 ILE HG13 3.72 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1198,1207, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 78 ILE HA 78 ILE QD1 3.98 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1209,1210,1211,
&end
#
# 78 ILE HA 78 ILE QG2 3.27 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1202,1203,1204,
&end
#
# 78 ILE HA 81 GLY HN 4.27 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat=1198,1252, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 78 ILE HA 82 PHE QD 4.93 (#SUP 0.88 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2=1267,1275,
&end
#
# 78 ILE HA 82 PHE QE 4.93 (#SUP 0.91 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2=1269,1273,
&end
#
# 78 ILE HB 78 ILE QD1 3.04 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=1200, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2=1209,1210,1211,
&end
#
# 78 ILE HB 79 GLU HA 4.33 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1200,1217, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 78 ILE HB 79 GLU HG2 4.02 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=1200,1222, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 78 ILE HB 79 GLU HG3 4.69 (#SUP 0.97 #QF 0.22)
&rst
ixpk= 0, nxpk= 0, iat=1200,1223, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 78 ILE HB 79 GLU HN 3.38 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1200,1215, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 78 ILE HB 82 PHE QE 5.50 (#SUP 0.95 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat=1200, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1269,1273,
&end
#
# 78 ILE HN 78 ILE HB 3.29 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1196,1200, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 78 ILE HN 78 ILE HG12 3.85 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1196,1206, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 78 ILE HN 78 ILE HG13 3.51 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat=1196,1207, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 78 ILE HN 78 ILE QD1 3.64 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1196, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1209,1210,1211,
&end
#
# 78 ILE HN 78 ILE QG2 3.78 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1196, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2=1202,1203,1204,
&end
#
# 78 ILE HN 79 GLU HN 3.51 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1196,1215, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 78 ILE QD1 79 GLU HG3 5.50 (#SUP 1.00 #QF 0.99)
&rst
ixpk= 1, nxpk= 0, iat= -1,1223, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1209,1210,1211,
&end
#
# 78 ILE QD1 79 GLU HN 4.28 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,1215, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1209,1210,1211,
&end
#
# 78 ILE QG2 78 ILE HG12 4.12 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1202,1203,1204,
&end
#
# 78 ILE QG2 78 ILE HG13 4.12 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,1207, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1202,1203,1204,
&end
#
# 78 ILE QG2 78 ILE QD1 2.87 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1=1202,1203,1204,
igr2=1209,1210,1211,
&end
#
# 78 ILE QG2 79 GLU HA 3.93 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,1217, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1202,1203,1204,
&end
#
# 78 ILE QG2 79 GLU HG2 4.35 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,1222, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1202,1203,1204,
&end
#
# 78 ILE QG2 79 GLU HG3 4.68 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,1223, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=1202,1203,1204,
&end
#
# 78 ILE QG2 79 GLU HN 3.77 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,1215, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1202,1203,1204,
&end
#
# 78 ILE QG2 79 GLU QB 4.84 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1=1202,1203,1204,
igr2=1219,1220,
&end
#
# 78 ILE QG2 82 PHE HZ 3.93 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,1271, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1202,1203,1204,
&end
#
# 78 ILE QG2 82 PHE QD 3.77 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=1202,1203,1204,
igr2=1267,1275,
&end
#
# 78 ILE QG2 82 PHE QE 3.66 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1=1202,1203,1204,
igr2=1269,1273,
&end
#
# 79 GLU HA 79 GLU HG2 3.33 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1217,1222, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 79 GLU HA 79 GLU HG3 3.64 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1217,1223, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 79 GLU HA 79 GLU QB 2.90 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1217, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2=1219,1220,
&end
#
# 79 GLU HA 81 GLY HN 5.20 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1217,1252, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 79 GLU HA 82 PHE HB2 3.84 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1217,1263, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 79 GLU HA 82 PHE HB3 4.45 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1217,1264, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 79 GLU HA 82 PHE HN 4.05 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat=1217,1259, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 79 GLU HA 82 PHE QD 4.16 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1217, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1267,1275,
&end
#
# 79 GLU HA 83 LYS HN 4.77 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1217,1279, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 79 GLU HG2 80 LYS HN 4.80 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1222,1230, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 79 GLU HG2 82 PHE HB2 5.33 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat=1222,1263, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 79 GLU HG3 80 LYS HN 4.24 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1223,1230, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 79 GLU HN 79 GLU HG2 3.41 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1215,1222, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 79 GLU HN 79 GLU HG3 3.39 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1215,1223, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 79 GLU HN 79 GLU QB 2.98 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1215, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2=1219,1220,
&end
#
# 79 GLU HN 80 LYS HN 3.49 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1215,1230, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 79 GLU QB 79 GLU HG2 2.89 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,1222, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr1=1219,1220,
&end
#
# 79 GLU QB 79 GLU HG3 2.77 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1223, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr1=1219,1220,
&end
#
# 79 GLU QB 80 LYS HA 4.25 (#SUP 1.00 #QF 0.94)
&rst
ixpk= 1, nxpk= 0, iat= -1,1232, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1219,1220,
&end
#
# 79 GLU QB 80 LYS HN 3.16 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,1230, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr1=1219,1220,
&end
#
# 79 GLU QB 80 LYS QE 5.50 (#SUP 0.90 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1219,1220,
igr2=1243,1244,
&end
#
# 79 GLU QB 82 PHE HB2 4.59 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1,1263, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1219,1220,
&end
#
# 79 GLU QB 82 PHE HB3 5.50 (#SUP 0.90 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1219,1220,
&end
#
# 79 GLU QB 82 PHE HN 5.50 (#SUP 1.00 #QF 0.92)
&rst
ixpk= 1, nxpk= 0, iat= -1,1259, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1219,1220,
&end
#
# 79 GLU QB 82 PHE QD 5.50 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1219,1220,
igr2=1267,1275,
&end
#
# 80 LYS HA 80 LYS QD 3.36 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1232, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1240,1241,
&end
#
# 80 LYS HA 80 LYS QE 4.05 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1232, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1243,1244,
&end
#
# 80 LYS HA 80 LYS QG 3.06 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat=1232, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2=1237,1238,
&end
#
# 80 LYS HA 82 PHE HN 4.70 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1232,1259, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 80 LYS HA 83 LYS HN 4.32 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1232,1279, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 80 LYS HA 83 LYS QB 3.89 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat=1232, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1283,1284,
&end
#
# 80 LYS HA 83 LYS QG 4.61
&rst
ixpk= 0, nxpk= 0, iat=1232, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2=1286,1287,
&end
#
# 80 LYS HA 84 ASP HN 4.62 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat=1232,1301, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 80 LYS HB2 81 GLY HN 3.93 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1234,1252, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 80 LYS HB3 81 GLY HN 3.93 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat=1235,1252, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 80 LYS HN 80 LYS HB2 3.05 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1230,1234, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 80 LYS HN 80 LYS HB3 3.05 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1230,1235, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 80 LYS HN 80 LYS QB 2.65
&rst
ixpk= 0, nxpk= 0, iat=1230, -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr2=1234,1235,
&end
#
# 80 LYS HN 80 LYS QD 4.50 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1230, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1240,1241,
&end
#
# 80 LYS HN 80 LYS QE 4.68 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat=1230, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1243,1244,
&end
#
# 80 LYS HN 80 LYS QG 4.08 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1230, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1237,1238,
&end
#
# 80 LYS HN 81 GLY HN 3.48 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1230,1252, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 80 LYS HN 82 PHE HN 4.60 (#SUP 0.66 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat=1230,1259, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 80 LYS QB 81 GLY HN 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1252, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr1=1234,1235,
&end
#
# 80 LYS QD 84 ASP HN 5.50 (#SUP 0.99 #QF 0.46)
&rst
ixpk= 0, nxpk= 0, iat= -1,1301, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1240,1241,
&end
#
# 80 LYS QG 80 LYS QE 3.60 (#SUP 0.87 #QF 0.37)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1237,1238,
igr2=1243,1244,
&end
#
# 80 LYS QG 81 GLY HN 3.85 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= -1,1252, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1=1237,1238,
&end
#
# 80 LYS QG 84 ASP HN 4.44 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1,1301, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1=1237,1238,
&end
#
# 81 GLY HA2 155 PHE HB2 4.23 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1254,2452, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 81 GLY HA2 155 PHE HB3 4.47 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1254,2453, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 81 GLY HA2 155 PHE QD 4.26 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1254, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=2456,2464,
&end
#
# 81 GLY HA2 84 ASP HB2 4.93 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1254,1305, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 81 GLY HA2 84 ASP HB3 4.37 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1254,1306, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 81 GLY HA2 85 TYR QD 4.66 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1254, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2=1321,1330,
&end
#
# 81 GLY HA3 155 PHE HA 5.50 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1255,2450, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 81 GLY HA3 155 PHE HB2 4.10 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1255,2452, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 81 GLY HA3 155 PHE HB3 4.22 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat=1255,2453, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 81 GLY HA3 155 PHE QD 4.19 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1255, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=2456,2464,
&end
#
# 81 GLY HA3 155 PHE QE 5.45 (#SUP 1.00 #QF 0.99)
&rst
ixpk= 1, nxpk= 0, iat=1255, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=2458,2462,
&end
#
# 81 GLY HA3 156 ASP HN 5.50 (#SUP 0.49 #QF 0.49)
&rst
ixpk= 0, nxpk= 0, iat=1255,2468, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 81 GLY HA3 84 ASP HB2 5.23 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1255,1305, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 81 GLY HA3 84 ASP HB3 4.60 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1255,1306, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 81 GLY HA3 84 ASP HN 5.02 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1255,1301, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 81 GLY HA3 85 TYR QD 4.29 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat=1255, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1321,1330,
&end
#
# 81 GLY HA3 85 TYR QE 4.18 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat=1255, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2=1323,1328,
&end
#
# 81 GLY HN 155 PHE HB2 4.23 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1252,2452, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 81 GLY HN 155 PHE HB3 5.14 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1252,2453, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 81 GLY HN 155 PHE QD 5.21 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1252, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=2456,2464,
&end
#
# 81 GLY HN 82 PHE HN 3.47 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1252,1259, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 81 GLY HN 83 LYS HN 5.14 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1252,1279, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 81 GLY HN 85 TYR QD 5.50 (#SUP 0.60 #QF 0.60)
&rst
ixpk= 0, nxpk= 0, iat=1252, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1321,1330,
&end
#
# 82 PHE HA 82 PHE QD 3.43 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1261, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2=1267,1275,
&end
#
# 82 PHE HA 82 PHE QE 4.51 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1261, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1269,1273,
&end
#
# 82 PHE HA 85 TYR HB2 3.81 (#SUP 0.97 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1261,1317, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 82 PHE HA 85 TYR HN 4.14 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat=1261,1313, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 82 PHE HA 87 PHE HB2 4.43 (#SUP 0.96 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1261,1355, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 82 PHE HA 87 PHE HB3 4.55 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1261,1356, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 82 PHE HA 87 PHE HN 3.91 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1261,1351, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 82 PHE HA 87 PHE QD 3.65 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1261, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1359,1367,
&end
#
# 82 PHE HB2 83 LYS HN 3.61 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat=1263,1279, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 82 PHE HB3 83 LYS HN 3.49 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1264,1279, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 82 PHE HN 82 PHE HB2 3.30 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1259,1263, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 82 PHE HN 82 PHE HB3 3.57 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1259,1264, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 82 PHE HN 82 PHE QD 3.98 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1259, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1267,1275,
&end
#
# 82 PHE HN 82 PHE QE 5.01 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1259, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=1269,1273,
&end
#
# 82 PHE HN 83 LYS HN 3.37 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1259,1279, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 82 PHE HN 83 LYS QB 5.50 (#SUP 0.99 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1259, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1283,1284,
&end
#
# 82 PHE HN 83 LYS QG 4.80
&rst
ixpk= 0, nxpk= 0, iat=1259, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1286,1287,
&end
#
# 82 PHE HN 84 ASP HN 4.84 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1259,1301, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 82 PHE QD 83 LYS QG 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1267,1275,
igr2=1286,1287,
&end
#
# 82 PHE QD 87 PHE HB3 5.09 (#SUP 0.88 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat= -1,1356, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=1267,1275,
&end
#
# 82 PHE QD 87 PHE QD 3.94 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=1267,1275,
igr2=1359,1367,
&end
#
# 82 PHE QD 94 LEU QD1 4.55 (#SUP 0.65 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1=1267,1275,
igr2=1472,1473,1474,
&end
#
# 82 PHE QE 87 PHE HB3 5.42 (#SUP 0.91 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= -1,1356, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1=1269,1273,
&end
#
# 82 PHE QE 87 PHE QD 4.24 (#SUP 0.89 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1269,1273,
igr2=1359,1367,
&end
#
# 82 PHE QE 94 LEU HG 5.38 (#SUP 0.93 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= -1,1470, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=1269,1273,
&end
#
# 82 PHE QE 94 LEU QD1 4.19 (#SUP 0.69 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1=1269,1273,
igr2=1472,1473,1474,
&end
#
# 82 PHE QE 94 LEU QD2 4.56 (#SUP 0.46 #QF 0.46)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1=1269,1273,
igr2=1476,1477,1478,
&end
#
# 83 LYS HA 83 LYS HG2 3.93 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1281,1286, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 83 LYS HA 83 LYS HG3 3.93 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1281,1287, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 83 LYS HA 83 LYS QB 2.86 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1281, -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
igr2=1283,1284,
&end
#
# 83 LYS HA 83 LYS QD 3.37 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1281, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=1289,1290,
&end
#
# 83 LYS HA 83 LYS QG 3.30
&rst
ixpk= 0, nxpk= 0, iat=1281, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1286,1287,
&end
#
# 83 LYS HA 86 HIS HN 3.90 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat=1281,1334, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 83 LYS HA 87 PHE HN 4.22 (#SUP 0.95 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1281,1351, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 83 LYS HG2 83 LYS QE 3.73 (#SUP 0.90 #QF 0.40)
&rst
ixpk= 0, nxpk= 0, iat=1286, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1292,1293,
&end
#
# 83 LYS HG3 83 LYS QE 3.73 (#SUP 0.87 #QF 0.37)
&rst
ixpk= 0, nxpk= 0, iat=1287, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1292,1293,
&end
#
# 83 LYS HN 83 LYS HG2 3.82 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1279,1286, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 83 LYS HN 83 LYS HG3 3.82 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1279,1287, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 83 LYS HN 83 LYS QB 2.91 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1279, -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
igr2=1283,1284,
&end
#
# 83 LYS HN 83 LYS QD 3.83 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1279, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1289,1290,
&end
#
# 83 LYS HN 83 LYS QG 3.35
&rst
ixpk= 0, nxpk= 0, iat=1279, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2=1286,1287,
&end
#
# 83 LYS HN 84 ASP HB2 5.06 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1279,1305, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 83 LYS HN 84 ASP HB3 5.41 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1279,1306, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 83 LYS HN 84 ASP HN 3.27 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1279,1301, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 83 LYS HN 85 TYR HN 4.64 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1279,1313, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 83 LYS QB 83 LYS QE 3.85 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1283,1284,
igr2=1292,1293,
&end
#
# 83 LYS QB 84 ASP HA 4.25 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1,1303, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1283,1284,
&end
#
# 83 LYS QB 84 ASP HN 3.33 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= -1,1301, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr1=1283,1284,
&end
#
# 83 LYS QB 85 TYR HN 5.00 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1,1313, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1283,1284,
&end
#
# 83 LYS QD 84 ASP HN 5.50 (#SUP 0.99 #QF 0.46)
&rst
ixpk= 0, nxpk= 0, iat= -1,1301, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1289,1290,
&end
#
# 83 LYS QG 83 LYS QE 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1=1286,1287,
igr2=1292,1293,
&end
#
# 83 LYS QG 84 ASP HN 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1301, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1=1286,1287,
&end
#
# 84 ASP HA 85 TYR QD 4.74 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1303, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1321,1330,
&end
#
# 84 ASP HA 86 HIS HN 4.11 (#SUP 0.99 #QF 0.47)
&rst
ixpk= 0, nxpk= 0, iat=1303,1334, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 84 ASP HB2 85 TYR HN 3.99 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1305,1313, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 84 ASP HB2 85 TYR QD 4.12 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1305, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1321,1330,
&end
#
# 84 ASP HB2 85 TYR QE 4.64 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1305, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1323,1328,
&end
#
# 84 ASP HB3 85 TYR HN 3.73 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1306,1313, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 84 ASP HB3 85 TYR QD 4.06 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1306, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1321,1330,
&end
#
# 84 ASP HB3 85 TYR QE 3.98 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1306, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1323,1328,
&end
#
# 84 ASP HN 84 ASP HB2 3.67 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1301,1305, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 84 ASP HN 84 ASP HB3 3.53 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1301,1306, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 84 ASP HN 85 TYR HN 3.62 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1301,1313, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 84 ASP HN 85 TYR QD 4.63 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1301, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1321,1330,
&end
#
# 84 ASP HN 86 HIS HN 4.55 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1301,1334, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 84 ASP HN 87 PHE HN 5.50 (#SUP 0.99 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1301,1351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 85 TYR HA 85 TYR QD 3.50 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat=1315, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1321,1330,
&end
#
# 85 TYR HA 85 TYR QE 4.71 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1315, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2=1323,1328,
&end
#
# 85 TYR HA 86 HIS HD2 3.94 (#SUP 0.94 #QF 0.24)
&rst
ixpk= 0, nxpk= 0, iat=1315,1347, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 85 TYR HB2 86 HIS HN 4.27 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1317,1334, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 85 TYR HB2 87 PHE HE1 4.38 (#SUP 1.00 #QF 0.99)
&rst
ixpk= 1, nxpk= 0, iat=1317,1361, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 85 TYR HB2 87 PHE QD 3.44 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=1317, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2=1359,1367,
&end
#
# 85 TYR HB3 155 PHE QE 5.30 (#SUP 0.98 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1318, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr2=2458,2462,
&end
#
# 85 TYR HB3 87 PHE HE1 3.92 (#SUP 1.00 #QF 0.99)
&rst
ixpk= 1, nxpk= 0, iat=1318,1361, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 85 TYR HB3 87 PHE QD 3.77 (#SUP 0.98 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1318, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=1359,1367,
&end
#
# 85 TYR HN 85 TYR HB2 3.45 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1313,1317, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 85 TYR HN 85 TYR HB3 3.62 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1313,1318, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 85 TYR HN 85 TYR QD 3.47 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1313, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=1321,1330,
&end
#
# 85 TYR HN 85 TYR QE 4.83 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1313, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1323,1328,
&end
#
# 85 TYR HN 86 HIS HA 4.71 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1313,1336, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 85 TYR HN 86 HIS HN 3.30 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1313,1334, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 85 TYR HN 87 PHE HN 4.53 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1313,1351, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 85 TYR HN 87 PHE QD 4.09 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1313, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1359,1367,
&end
#
# 85 TYR QD 155 PHE QD 4.10 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1=1321,1330,
igr2=2456,2464,
&end
#
# 85 TYR QD 155 PHE QE 4.71 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1321,1330,
igr2=2458,2462,
&end
#
# 85 TYR QD 87 PHE QD 4.45 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1321,1330,
igr2=1359,1367,
&end
#
# 85 TYR QE 156 ASP HA 5.29 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,2470, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1323,1328,
&end
#
# 85 TYR QE 156 ASP HB2 5.19 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,2472, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1=1323,1328,
&end
#
# 85 TYR QE 156 ASP HB3 3.88 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,2473, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1=1323,1328,
&end
#
# 85 TYR QE 156 ASP HN 4.73 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= -1,2468, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1323,1328,
&end
#
# 85 TYR QE 159 ILE QD1 5.29 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr1=1323,1328,
igr2=2519,2520,2521,
&end
#
# 85 TYR QE 159 ILE QG2 5.50 (#SUP 0.98 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1323,1328,
igr2=2512,2513,2514,
&end
#
# 86 HIS HA 86 HIS HD2 4.73 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1336,1347, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 86 HIS HA 87 PHE HN 3.49 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1336,1351, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 86 HIS HA 87 PHE QD 4.69 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat=1336, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1359,1367,
&end
#
# 86 HIS HB2 97 PRO HG2 4.50 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1338,1512, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 86 HIS HB2 97 PRO HG3 4.50 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1338,1513, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 86 HIS HB2 97 PRO QG 3.88
&rst
ixpk= 0, nxpk= 0, iat=1338, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2=1512,1513,
&end
#
# 86 HIS HB3 97 PRO QG 5.32
&rst
ixpk= 0, nxpk= 0, iat=1339, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=1512,1513,
&end
#
# 86 HIS HD2 97 PRO QG 5.10
&rst
ixpk= 0, nxpk= 0, iat=1347, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1512,1513,
&end
#
# 86 HIS HN 86 HIS HA 2.87 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1334,1336, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end
#
# 86 HIS HN 86 HIS HB2 4.02 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1334,1338, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 86 HIS HN 86 HIS HB3 4.19 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1334,1339, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 86 HIS HN 86 HIS HD2 4.56 (#SUP 0.99 #QF 0.62)
&rst
ixpk= 0, nxpk= 0, iat=1334,1347, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 86 HIS HN 87 PHE HB2 4.67 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat=1334,1355, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 86 HIS HN 87 PHE HN 3.56 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1334,1351, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 86 HIS HN 87 PHE QD 4.82 (#SUP 0.99 #QF 0.62)
&rst
ixpk= 0, nxpk= 0, iat=1334, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2=1359,1367,
&end
#
# 87 PHE HA 87 PHE QD 4.35 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1353, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1359,1367,
&end
#
# 87 PHE HA 88 THR HN 3.07 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1353,1371, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 87 PHE HB2 88 THR HN 4.62 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1355,1371, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 87 PHE HB2 94 LEU QD2 4.86 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat=1355, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1476,1477,1478,
&end
#
# 87 PHE HB3 88 THR HN 3.69 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1356,1371, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 87 PHE HB3 94 LEU HG 5.42 (#SUP 0.94 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat=1356,1470, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 87 PHE HB3 94 LEU QD2 3.87 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat=1356, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1476,1477,1478,
&end
#
# 87 PHE HE1 96 VAL HB 3.96 (#SUP 0.83 #QF 0.56)
&rst
ixpk= 0, nxpk= 0, iat=1361,1496, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 87 PHE HE2 94 LEU QD1 4.33 (#SUP 0.91 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat=1365, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1472,1473,1474,
&end
#
# 87 PHE HE2 96 VAL QG1 3.94 (#SUP 1.00 #QF 0.92)
&rst
ixpk= 1, nxpk= 0, iat=1365, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1498,1499,1500,
&end
#
# 87 PHE HN 87 PHE HB2 3.31 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1351,1355, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 87 PHE HN 87 PHE HB3 4.03 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1351,1356, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 87 PHE HN 87 PHE QD 3.28 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1351, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2=1359,1367,
&end
#
# 87 PHE HN 88 THR HN 4.64 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=1351,1371, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 87 PHE HZ 96 VAL HB 4.39 (#SUP 0.83 #QF 0.56)
&rst
ixpk= 0, nxpk= 0, iat=1363,1496, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 87 PHE HZ 96 VAL QG1 3.79 (#SUP 1.00 #QF 0.92)
&rst
ixpk= 1, nxpk= 0, iat=1363, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1498,1499,1500,
&end
#
# 87 PHE HZ 96 VAL QG2 4.00 (#SUP 0.61 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat=1363, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1502,1503,1504,
&end
#
# 87 PHE QD 88 THR HN 4.41 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1359,1367,
&end
#
# 87 PHE QD 94 LEU HG 4.65 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,1470, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1359,1367,
&end
#
# 87 PHE QD 94 LEU QD1 3.81 (#SUP 0.91 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1359,1367,
igr2=1472,1473,1474,
&end
#
# 87 PHE QD 94 LEU QD2 3.41 (#SUP 0.41 #QF 0.41)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1359,1367,
igr2=1476,1477,1478,
&end
#
# 87 PHE QD 95 ALA HN 5.50 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1,1482, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1359,1367,
&end
#
# 87 PHE QD 96 VAL HB 4.58 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= -1,1496, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1359,1367,
&end
#
# 87 PHE QD 96 VAL QG1 3.58 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1359,1367,
igr2=1498,1499,1500,
&end
#
# 88 THR HB 89 VAL HN 4.20 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1375,1385, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 88 THR HN 88 THR HB 4.02 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1371,1375, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 88 THR HN 88 THR QG2 3.49 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1371, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1377,1378,1379,
&end
#
# 88 THR HN 89 VAL HN 4.78 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1371,1385, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 88 THR HN 94 LEU HA 4.81 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat=1371,1465, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 88 THR HN 94 LEU HG 4.76 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1371,1470, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 88 THR HN 94 LEU QD2 3.80 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1371, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1476,1477,1478,
&end
#
# 88 THR HN 95 ALA HN 3.94 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1371,1482, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 88 THR HN 95 ALA QB 4.57 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1371, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1486,1487,1488,
&end
#
# 88 THR QG2 89 VAL HN 3.77 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1377,1378,1379,
&end
#
# 88 THR QG2 90 SER HN 4.75 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1377,1378,1379,
&end
#
# 88 THR QG2 90 SER QB 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1377,1378,1379,
igr2=1405,1406,
&end
#
# 88 THR QG2 95 ALA HN 4.50 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,1482, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1377,1378,1379,
&end
#
# 88 THR QG2 95 ALA QB 3.28 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=1377,1378,1379,
igr2=1486,1487,1488,
&end
#
# 89 VAL HB 90 SER HN 4.67 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1389,1401, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 89 VAL HB 92 GLY HN 5.03 (#SUP 0.94 #QF 0.28)
&rst
ixpk= 0, nxpk= 0, iat=1389,1434, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 89 VAL HN 89 VAL HB 3.20 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1385,1389, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 89 VAL HN 89 VAL QG1 3.92 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1385, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1391,1392,1393,
&end
#
# 89 VAL HN 89 VAL QG2 3.92 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1385, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1395,1396,1397,
&end
#
# 89 VAL HN 89 VAL QQG 3.14
&rst
ixpk= 0, nxpk= 0, iat=1385, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=1391,1392,1393,1395,1396,1397,
&end
#
# 89 VAL HN 90 SER HN 4.42 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1385,1401, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 89 VAL QG1 90 SER HN 4.23 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=1391,1392,1393,
&end
#
# 89 VAL QG1 92 GLY HA2 4.66 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,1436, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=1391,1392,1393,
&end
#
# 89 VAL QG2 90 SER HN 4.23 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=1395,1396,1397,
&end
#
# 89 VAL QG2 92 GLY HA2 4.66 (#SUP 0.23 #QF 0.23)
&rst
ixpk= 0, nxpk= 0, iat= -1,1436, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=1395,1396,1397,
&end
#
# 89 VAL QQG 90 SER HN 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1391,1392,1393,1395,1396,1397,
&end
#
# 89 VAL QQG 91 LYS HA 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1414, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1=1391,1392,1393,1395,1396,1397,
&end
#
# 89 VAL QQG 91 LYS HN 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1,1412, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1391,1392,1393,1395,1396,1397,
&end
#
# 89 VAL QQG 92 GLY HA2 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1436, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1391,1392,1393,1395,1396,1397,
&end
#
# 89 VAL QQG 92 GLY HA3 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1437, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1=1391,1392,1393,1395,1396,1397,
&end
#
# 89 VAL QQG 92 GLY HN 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1434, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=1391,1392,1393,1395,1396,1397,
&end
#
# 89 VAL QQG 93 LYS HN 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1441, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=1391,1392,1393,1395,1396,1397,
&end
#
# 90 SER HA 91 LYS HA 4.82 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1403,1414, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 90 SER HA 92 GLY HN 4.69 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat=1403,1434, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 90 SER HB2 95 ALA QB 4.25 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1405, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1486,1487,1488,
&end
#
# 90 SER HB3 95 ALA QB 4.25 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1406, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1486,1487,1488,
&end
#
# 90 SER HN 90 SER HB2 4.00 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1401,1405, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 90 SER HN 90 SER HB3 4.00 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1401,1406, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 90 SER HN 90 SER QB 3.44
&rst
ixpk= 1, nxpk= 0, iat=1401, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2=1405,1406,
&end
#
# 90 SER HN 91 LYS HN 4.93 (#SUP 0.90 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat=1401,1412, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 90 SER HN 93 LYS HN 3.92 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1401,1441, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 90 SER HN 95 ALA HN 5.13 (#SUP 0.90 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat=1401,1482, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 90 SER HN 95 ALA QB 4.43 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=1401, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1486,1487,1488,
&end
#
# 90 SER QB 93 LYS HN 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1441, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1405,1406,
&end
#
# 91 LYS HA 91 LYS HD2 4.09 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1414,1422, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 91 LYS HA 91 LYS HD3 4.09 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1414,1423, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 91 LYS HA 91 LYS QE 4.38 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1414, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1425,1426,
&end
#
# 91 LYS HA 91 LYS QG 3.25 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1414, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2=1419,1420,
&end
#
# 91 LYS HA 92 GLY HA2 4.88 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1414,1436, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 91 LYS HA 92 GLY HA3 4.63 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1414,1437, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 91 LYS HA 92 GLY HN 3.53 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1414,1434, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 91 LYS HA 93 LYS HN 4.63 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1414,1441, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 91 LYS HN 92 GLY HN 4.77 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1412,1434, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 91 LYS QB 91 LYS QG 2.73 (#SUP 0.53 #QF 0.53)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,
igr1=1416,1417,
igr2=1419,1420,
&end
#
# 91 LYS QB 92 GLY HN 5.19 (#SUP 0.94 #QF 0.28)
&rst
ixpk= 0, nxpk= 0, iat= -1,1434, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1=1416,1417,
&end
#
# 91 LYS QB 93 LYS HN 3.96 (#SUP 0.53 #QF 0.53)
&rst
ixpk= 0, nxpk= 0, iat= -1,1441, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1416,1417,
&end
#
# 91 LYS QB 93 LYS QE 3.73 (#SUP 0.28 #QF 0.28)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1=1416,1417,
igr2=1454,1455,
&end
#
# 91 LYS QG 91 LYS QE 2.82 (#SUP 0.77 #QF 0.57)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr1=1419,1420,
igr2=1425,1426,
&end
#
# 91 LYS QG 92 GLY HN 4.94 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1,1434, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=1419,1420,
&end
#
# 92 GLY HA3 93 LYS QG 4.53
&rst
ixpk= 0, nxpk= 0, iat=1437, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1448,1449,
&end
#
# 92 GLY HN 93 LYS HN 3.60 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1434,1441, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 93 LYS HG2 93 LYS QE 4.08 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1448, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1454,1455,
&end
#
# 93 LYS HG2 94 LEU HN 5.08 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat=1448,1463, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 93 LYS HG3 93 LYS QE 4.08 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1449, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1454,1455,
&end
#
# 93 LYS HG3 94 LEU HN 5.08 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=1449,1463, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 93 LYS HN 93 LYS HB2 3.79 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1441,1445, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 93 LYS HN 93 LYS HB3 3.79 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1441,1446, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 93 LYS HN 93 LYS HG2 3.84 (#SUP 0.87 #QF 0.33)
&rst
ixpk= 0, nxpk= 0, iat=1441,1448, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 93 LYS HN 93 LYS HG3 3.84 (#SUP 0.87 #QF 0.33)
&rst
ixpk= 0, nxpk= 0, iat=1441,1449, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 93 LYS HN 93 LYS QB 3.14
&rst
ixpk= 0, nxpk= 0, iat=1441, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2=1445,1446,
&end
#
# 93 LYS HN 93 LYS QD 4.32
&rst
ixpk= 0, nxpk= 0, iat=1441, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1451,1452,
&end
#
# 93 LYS HN 93 LYS QE 4.60 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1441, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1454,1455,
&end
#
# 93 LYS HN 93 LYS QG 3.31
&rst
ixpk= 1, nxpk= 0, iat=1441, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2=1448,1449,
&end
#
# 93 LYS HN 94 LEU HN 4.78 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1441,1463, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 93 LYS QB 93 LYS QD 3.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1=1445,1446,
igr2=1451,1452,
&end
#
# 93 LYS QB 93 LYS QE 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1=1445,1446,
igr2=1454,1455,
&end
#
# 93 LYS QB 94 LEU HN 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1463, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1=1445,1446,
&end
#
# 93 LYS QG 93 LYS QE 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1=1448,1449,
igr2=1454,1455,
&end
#
# 93 LYS QG 94 LEU HN 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1463, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=1448,1449,
&end
#
# 94 LEU HA 95 ALA HN 3.27 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat=1465,1482, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 94 LEU HB3 95 ALA HN 5.00 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat=1468,1482, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 94 LEU HG 95 ALA HN 3.82 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat=1470,1482, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 94 LEU HN 94 LEU HB2 3.29 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1463,1467, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 94 LEU HN 94 LEU HB3 3.47 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1463,1468, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 94 LEU HN 94 LEU QD2 4.51 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1463, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1476,1477,1478,
&end
#
# 94 LEU HN 95 ALA HN 4.79 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1463,1482, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 94 LEU QD1 95 ALA HN 4.95 (#SUP 0.70 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat= -1,1482, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1472,1473,1474,
&end
#
# 94 LEU QD2 95 ALA HN 3.27 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= -1,1482, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1476,1477,1478,
&end
#
# 94 LEU QD2 96 VAL QG1 3.52 (#SUP 0.23 #QF 0.23)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=1476,1477,1478,
igr2=1498,1499,1500,
&end
#
# 95 ALA HA 96 VAL HN 3.29 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1484,1492, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 95 ALA HA 96 VAL QG1 4.45 (#SUP 0.99 #QF 0.41)
&rst
ixpk= 0, nxpk= 0, iat=1484, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1498,1499,1500,
&end
#
# 95 ALA HA 96 VAL QG2 4.25 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1484, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1502,1503,1504,
&end
#
# 95 ALA HN 95 ALA QB 3.55 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1482, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2=1486,1487,1488,
&end
#
# 95 ALA HN 96 VAL HN 5.10 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1482,1492, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 95 ALA QB 96 VAL HN 3.44 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1=1486,1487,1488,
&end
#
# 95 ALA QB 96 VAL QG2 4.61 (#SUP 0.57 #QF 0.57)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1=1486,1487,1488,
igr2=1502,1503,1504,
&end
#
# 96 VAL HB 97 PRO HD2 4.25 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1496,1509, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 96 VAL HB 97 PRO HD3 4.35 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1496,1510, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 96 VAL HN 96 VAL HB 3.96 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1492,1496, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 96 VAL HN 96 VAL QG1 4.02 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1498,1499,1500,
&end
#
# 96 VAL HN 96 VAL QG2 3.32 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2=1502,1503,1504,
&end
#
# 96 VAL QG1 97 PRO HD2 3.52 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,1509, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1=1498,1499,1500,
&end
#
# 96 VAL QG1 97 PRO HD3 4.30 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,1510, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1498,1499,1500,
&end
#
# 96 VAL QG1 97 PRO QG 5.29
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr1=1498,1499,1500,
igr2=1512,1513,
&end
#
# 96 VAL QG2 97 PRO HD2 4.40 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1509, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1502,1503,1504,
&end
#
# 96 VAL QG2 97 PRO HD3 4.65 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1510, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1502,1503,1504,
&end
#
# 96 VAL QG2 99 GLY HN 5.50 (#SUP 0.85 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat= -1,1541, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1502,1503,1504,
&end
#
# 97 PRO HA 98 ILE HB 4.77 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1518,1526, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 97 PRO HA 98 ILE HN 3.18 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1518,1522, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 97 PRO HA 98 ILE QG1 4.38
&rst
ixpk= 0, nxpk= 0, iat=1518, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1532,1533,
&end
#
# 97 PRO HB2 99 GLY QA 5.34
&rst
ixpk= 0, nxpk= 0, iat=1515, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1543,1544,
&end
#
# 97 PRO HB3 98 ILE HN 4.51 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1516,1522, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 98 ILE HA 98 ILE HG12 3.74 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1524,1532, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 98 ILE HA 98 ILE HG13 3.74 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1524,1533, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 98 ILE HA 98 ILE QG1 3.24
&rst
ixpk= 1, nxpk= 0, iat=1524, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2=1532,1533,
&end
#
# 98 ILE HA 98 ILE QG2 3.06 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1524, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2=1528,1529,1530,
&end
#
# 98 ILE HA 99 GLY HN 2.73 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1524,1541, r1= 1.30, r2= 1.80, r3= 2.73, r4= 3.23, &end
#
# 98 ILE HA 99 GLY QA 4.53
&rst
ixpk= 0, nxpk= 0, iat=1524, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1543,1544,
&end
#
# 98 ILE HB 98 ILE QD1 3.10 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1526, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2=1535,1536,1537,
&end
#
# 98 ILE HB 99 GLY HN 4.14 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1526,1541, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 98 ILE HN 98 ILE HB 3.25 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1522,1526, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 98 ILE HN 98 ILE HG12 3.79 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1522,1532, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 98 ILE HN 98 ILE HG13 3.79 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1522,1533, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 98 ILE HN 98 ILE QD1 3.83 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1522, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1535,1536,1537,
&end
#
# 98 ILE HN 98 ILE QG1 3.22
&rst
ixpk= 0, nxpk= 0, iat=1522, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2=1532,1533,
&end
#
# 98 ILE HN 98 ILE QG2 3.87 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1522, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1528,1529,1530,
&end
#
# 98 ILE QG1 99 GLY HN 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1,1541, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1=1532,1533,
&end
#
# 98 ILE QG2 98 ILE QG1 3.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1=1528,1529,1530,
igr2=1532,1533,
&end
#
# 98 ILE QG2 99 GLY HA2 4.36 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1528,1529,1530,
&end
#
# 98 ILE QG2 99 GLY HA3 4.36 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,1544, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1528,1529,1530,
&end
#
# 98 ILE QG2 99 GLY HN 3.28 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1541, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1=1528,1529,1530,
&end
#
# 99 GLY HA2 100 ASP HN 3.21 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1543,1548, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 99 GLY HA3 100 ASP HN 3.21 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat=1544,1548, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 99 GLY HN 100 ASP HN 4.60 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1541,1548, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 99 GLY QA 100 ASP QB 4.82
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1543,1544,
igr2=1552,1553,
&end
#
# 100 ASP HB2 101 GLY HN 4.17 (#SUP 0.72 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat=1552,1560, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 100 ASP HB3 101 GLY HN 4.17 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat=1553,1560, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 100 ASP HN 100 ASP QB 3.44
&rst
ixpk= 0, nxpk= 0, iat=1548, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2=1552,1553,
&end
#
# 100 ASP QB 101 GLY HN 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1=1552,1553,
&end
#
# 101 GLY HN 102 ASP HN 4.31 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1560,1567, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 101 GLY QA 102 ASP HN 2.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1567, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
igr1=1562,1563,
&end
#
# 101 GLY QA 102 ASP QB 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1562,1563,
igr2=1571,1572,
&end
#
# 102 ASP HA 103 ASN HN 3.10 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat=1569,1579, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 102 ASP HN 102 ASP QB 3.21 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat=1567, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1571,1572,
&end
#
# 102 ASP HN 103 ASN HN 4.78 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1567,1579, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 102 ASP QB 103 ASN HN 3.93 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= -1,1579, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1571,1572,
&end
#
# 103 ASN HA 104 LEU HG 4.87 (#SUP 0.84 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat=1581,1600, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 103 ASN HA 104 LEU HN 3.22 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1581,1593, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 103 ASN HA 104 LEU QQD 4.47
&rst
ixpk= 0, nxpk= 0, iat=1581, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=1602,1603,1604,1606,1607,1608,
&end
#
# 103 ASN HA 105 LEU HG 5.27 (#SUP 0.84 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat=1581,1619, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 103 ASN HA 105 LEU HN 4.09 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat=1581,1612, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 103 ASN HA 105 LEU QQD 5.08
&rst
ixpk= 0, nxpk= 0, iat=1581, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr2=1621,1622,1623,1625,1626,1627,
&end
#
# 103 ASN HB2 103 ASN HD21 4.00 (#SUP 0.88 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat=1583,1588, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 103 ASN HB2 103 ASN HD22 4.00 (#SUP 0.86 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat=1583,1589, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 103 ASN HB2 105 LEU HG 4.74 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat=1583,1619, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 103 ASN HB2 105 LEU HN 4.81 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1583,1612, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 103 ASN HB3 103 ASN HD21 4.00 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1584,1588, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 103 ASN HB3 103 ASN HD22 4.00 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat=1584,1589, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 103 ASN HB3 105 LEU HG 4.74 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1584,1619, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 103 ASN HB3 105 LEU HN 4.81 (#SUP 0.95 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat=1584,1612, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 103 ASN HN 103 ASN QB 3.66
&rst
ixpk= 0, nxpk= 0, iat=1579, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1583,1584,
&end
#
# 103 ASN HN 104 LEU HN 4.48 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1579,1593, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 103 ASN QB 103 ASN QD2 3.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1=1583,1584,
igr2=1588,1589,
&end
#
# 103 ASN QB 104 LEU HN 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1593, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1583,1584,
&end
#
# 103 ASN QB 105 LEU HG 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1,1619, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=1583,1584,
&end
#
# 103 ASN QB 105 LEU HN 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1,1612, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1=1583,1584,
&end
#
# 103 ASN QB 105 LEU QQD 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=1583,1584,
igr2=1621,1622,1623,1625,1626,1627,
&end
#
# 103 ASN QB 128 VAL QG1 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1=1583,1584,
igr2=2004,2005,2006,
&end
#
# 103 ASN QD2 105 LEU QQD 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1588,1589,
igr2=1621,1622,1623,1625,1626,1627,
&end
#
# 103 ASN QD2 159 ILE QG2 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1=1588,1589,
igr2=2512,2513,2514,
&end
#
# 104 LEU HA 104 LEU HG 3.72 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1595,1600, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 104 LEU HA 104 LEU QQD 4.00
&rst
ixpk= 1, nxpk= 0, iat=1595, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1602,1603,1604,1606,1607,1608,
&end
#
# 104 LEU HB2 104 LEU QD1 3.73 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1597, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=1602,1603,1604,
&end
#
# 104 LEU HB2 104 LEU QD2 3.73 (#SUP 0.99 #QF 0.43)
&rst
ixpk= 0, nxpk= 0, iat=1597, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=1606,1607,1608,
&end
#
# 104 LEU HB2 105 LEU HN 5.00 (#SUP 0.84 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat=1597,1612, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 104 LEU HB3 104 LEU QD1 3.73 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1598, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=1602,1603,1604,
&end
#
# 104 LEU HB3 104 LEU QD2 3.73 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1598, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=1606,1607,1608,
&end
#
# 104 LEU HB3 105 LEU HN 5.00 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1598,1612, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 104 LEU HN 104 LEU HB2 4.00 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat=1593,1597, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 104 LEU HN 104 LEU HB3 4.00 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1593,1598, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 104 LEU HN 104 LEU HG 3.26 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat=1593,1600, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 104 LEU HN 104 LEU QB 3.38
&rst
ixpk= 0, nxpk= 0, iat=1593, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=1597,1598,
&end
#
# 104 LEU HN 104 LEU QD1 4.34 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1593, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1602,1603,1604,
&end
#
# 104 LEU HN 104 LEU QD2 4.34 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1593, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1606,1607,1608,
&end
#
# 104 LEU HN 105 LEU HN 3.31 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1593,1612, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 104 LEU QB 104 LEU QQD 2.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1=1597,1598,
igr2=1602,1603,1604,1606,1607,1608,
&end
#
# 104 LEU QB 105 LEU HN 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1612, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1597,1598,
&end
#
# 104 LEU QB 105 LEU QQD 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1597,1598,
igr2=1621,1622,1623,1625,1626,1627,
&end
#
# 104 LEU QB 130 THR HB 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1,2032, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1=1597,1598,
&end
#
# 104 LEU QB 131 LEU HN 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1,2042, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1=1597,1598,
&end
#
# 104 LEU QB 132 ASP HN 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1,2061, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1597,1598,
&end
#
# 104 LEU QD1 105 LEU HN 5.49 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= -1,1612, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1=1602,1603,1604,
&end
#
# 104 LEU QD1 132 ASP HB2 4.69 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,2065, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1602,1603,1604,
&end
#
# 104 LEU QD1 132 ASP HB3 4.69 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat= -1,2066, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1602,1603,1604,
&end
#
# 104 LEU QD1 132 ASP HN 4.86 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1,2061, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1602,1603,1604,
&end
#
# 104 LEU QD2 105 LEU HN 5.49 (#SUP 0.96 #QF 0.51)
&rst
ixpk= 0, nxpk= 0, iat= -1,1612, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1=1606,1607,1608,
&end
#
# 104 LEU QD2 132 ASP HB2 4.69 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= -1,2065, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1606,1607,1608,
&end
#
# 104 LEU QD2 132 ASP HB3 4.69 (#SUP 0.67 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat= -1,2066, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1606,1607,1608,
&end
#
# 104 LEU QD2 132 ASP HN 4.86 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1,2061, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1606,1607,1608,
&end
#
# 104 LEU QQD 105 LEU HN 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1612, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1602,1603,1604,1606,1607,1608,
&end
#
# 104 LEU QQD 130 THR HB 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,2032, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1=1602,1603,1604,1606,1607,1608,
&end
#
# 104 LEU QQD 131 LEU HN 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1,2042, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1=1602,1603,1604,1606,1607,1608,
&end
#
# 104 LEU QQD 132 ASP QB 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1=1602,1603,1604,1606,1607,1608,
igr2=2065,2066,
&end
#
# 105 LEU HA 105 LEU HG 3.98 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1614,1619, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 105 LEU HA 105 LEU QD1 4.11 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1614, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1621,1622,1623,
&end
#
# 105 LEU HA 105 LEU QD2 4.11 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1614, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1625,1626,1627,
&end
#
# 105 LEU HA 105 LEU QQD 2.96
&rst
ixpk= 0, nxpk= 0, iat=1614, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2=1621,1622,1623,1625,1626,1627,
&end
#
# 105 LEU HA 106 ASN HN 3.18 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1614,1631, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 105 LEU HA 128 VAL HB 4.72 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat=1614,2002, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 105 LEU HA 128 VAL QG1 4.02 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1614, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=2004,2005,2006,
&end
#
# 105 LEU HA 130 THR HA 3.96 (#SUP 0.66 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat=1614,2030, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 105 LEU HA 130 THR QG2 4.26 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1614, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=2034,2035,2036,
&end
#
# 105 LEU HB2 106 ASN HN 4.59 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1616,1631, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 105 LEU HB2 107 TRP HD1 4.38 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1616,1653, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 105 LEU HB2 107 TRP HE1 4.74 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1616,1655, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 105 LEU HB2 128 VAL QG1 3.53 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1616, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=2004,2005,2006,
&end
#
# 105 LEU HB3 106 ASN HN 4.59 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1617,1631, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 105 LEU HB3 107 TRP HD1 4.38 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1617,1653, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 105 LEU HB3 107 TRP HE1 4.74 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1617,1655, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 105 LEU HB3 128 VAL QG1 3.53 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1617, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=2004,2005,2006,
&end
#
# 105 LEU HG 106 ASN HN 5.30 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat=1619,1631, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 105 LEU HG 107 TRP HD1 5.50 (#SUP 0.46 #QF 0.46)
&rst
ixpk= 0, nxpk= 0, iat=1619,1653, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 105 LEU HG 107 TRP HE1 5.18 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1619,1655, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 105 LEU HG 128 VAL QG1 4.54 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1619, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2=2004,2005,2006,
&end
#
# 105 LEU HN 105 LEU HB2 3.73 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1612,1616, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 105 LEU HN 105 LEU HB3 3.73 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1612,1617, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 105 LEU HN 105 LEU HG 3.30 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat=1612,1619, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 105 LEU HN 105 LEU QB 3.25
&rst
ixpk= 0, nxpk= 0, iat=1612, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2=1616,1617,
&end
#
# 105 LEU HN 105 LEU QD1 3.84 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1612, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1621,1622,1623,
&end
#
# 105 LEU HN 105 LEU QD2 3.84 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1612, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1625,1626,1627,
&end
#
# 105 LEU HN 106 ASN HN 4.54 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1612,1631, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 105 LEU HN 107 TRP HD1 5.50 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1612,1653, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 105 LEU HN 107 TRP HE1 5.34 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1612,1655, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 105 LEU HN 128 VAL QG1 4.64 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1612, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=2004,2005,2006,
&end
#
# 105 LEU QB 106 ASN HN 3.71
&rst
ixpk= 1, nxpk= 0, iat= -1,1631, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1=1616,1617,
&end
#
# 105 LEU QB 107 TRP HD1 3.79
&rst
ixpk= 1, nxpk= 0, iat= -1,1653, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=1616,1617,
&end
#
# 105 LEU QB 107 TRP HE1 4.07
&rst
ixpk= 1, nxpk= 0, iat= -1,1655, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1=1616,1617,
&end
#
# 105 LEU QB 107 TRP HN 5.26
&rst
ixpk= 1, nxpk= 0, iat= -1,1645, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=1616,1617,
&end
#
# 105 LEU QD1 107 TRP HD1 5.49 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1653, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1=1621,1622,1623,
&end
#
# 105 LEU QD1 107 TRP HE1 4.65 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1655, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1621,1622,1623,
&end
#
# 105 LEU QD1 128 VAL HB 4.03 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1,2002, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1621,1622,1623,
&end
#
# 105 LEU QD1 128 VAL QG1 3.51 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1621,1622,1623,
igr2=2004,2005,2006,
&end
#
# 105 LEU QD1 128 VAL QG2 4.10 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1=1621,1622,1623,
igr2=2008,2009,2010,
&end
#
# 105 LEU QD1 137 ALA QB 3.51 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1621,1622,1623,
igr2=2120,2121,2122,
&end
#
# 105 LEU QD2 107 TRP HD1 5.49 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,1653, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1=1625,1626,1627,
&end
#
# 105 LEU QD2 107 TRP HE1 4.65 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,1655, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1625,1626,1627,
&end
#
# 105 LEU QD2 128 VAL HB 4.03 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,2002, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1625,1626,1627,
&end
#
# 105 LEU QD2 128 VAL QG1 3.51 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1625,1626,1627,
igr2=2004,2005,2006,
&end
#
# 105 LEU QD2 128 VAL QG2 4.10 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1=1625,1626,1627,
igr2=2008,2009,2010,
&end
#
# 105 LEU QD2 137 ALA QB 3.51 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1625,1626,1627,
igr2=2120,2121,2122,
&end
#
# 105 LEU QQD 106 ASN HN 3.85
&rst
ixpk= 1, nxpk= 0, iat= -1,1631, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1621,1622,1623,1625,1626,1627,
&end
#
# 105 LEU QQD 107 TRP HD1 4.39
&rst
ixpk= 1, nxpk= 0, iat= -1,1653, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=1621,1622,1623,1625,1626,1627,
&end
#
# 105 LEU QQD 107 TRP HE1 3.51
&rst
ixpk= 1, nxpk= 0, iat= -1,1655, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=1621,1622,1623,1625,1626,1627,
&end
#
# 105 LEU QQD 107 TRP HH2 5.44
&rst
ixpk= 1, nxpk= 0, iat= -1,1660, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1=1621,1622,1623,1625,1626,1627,
&end
#
# 105 LEU QQD 107 TRP HZ2 3.88
&rst
ixpk= 1, nxpk= 0, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=1621,1622,1623,1625,1626,1627,
&end
#
# 105 LEU QQD 128 VAL QG1 3.00
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1621,1622,1623,1625,1626,1627,
igr2=2004,2005,2006,
&end
#
# 105 LEU QQD 128 VAL QG2 3.50
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1621,1622,1623,1625,1626,1627,
igr2=2008,2009,2010,
&end
#
# 105 LEU QQD 129 PRO HD2 5.44
&rst
ixpk= 1, nxpk= 0, iat= -1,2015, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1=1621,1622,1623,1625,1626,1627,
&end
#
# 105 LEU QQD 130 THR HA 3.71
&rst
ixpk= 1, nxpk= 0, iat= -1,2030, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1=1621,1622,1623,1625,1626,1627,
&end
#
# 105 LEU QQD 130 THR HB 4.67
&rst
ixpk= 1, nxpk= 0, iat= -1,2032, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1621,1622,1623,1625,1626,1627,
&end
#
# 105 LEU QQD 130 THR QG2 2.93
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=1621,1622,1623,1625,1626,1627,
igr2=2034,2035,2036,
&end
#
# 105 LEU QQD 137 ALA HN 4.08
&rst
ixpk= 1, nxpk= 0, iat= -1,2116, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1621,1622,1623,1625,1626,1627,
&end
#
# 105 LEU QQD 137 ALA QB 2.81
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1=1621,1622,1623,1625,1626,1627,
igr2=2120,2121,2122,
&end
#
# 105 LEU QQD 139 ARG QD 4.76
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1=1621,1622,1623,1625,1626,1627,
igr2=2158,2159,
&end
#
# 105 LEU QQD 159 ILE HN 4.51
&rst
ixpk= 1, nxpk= 0, iat= -1,2506, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1=1621,1622,1623,1625,1626,1627,
&end
#
# 106 ASN HA 107 TRP HB2 4.73 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1633,1649, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 106 ASN HA 107 TRP HD1 4.53 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1633,1653, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 106 ASN HA 107 TRP HN 3.05 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1633,1645, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 106 ASN HA 108 LYS HB2 5.50 (#SUP 0.99 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1633,1673, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 106 ASN HA 108 LYS HN 4.32 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat=1633,1669, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 106 ASN HA 109 LYS HN 4.79 (#SUP 0.85 #QF 0.54)
&rst
ixpk= 0, nxpk= 0, iat=1633,1691, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 106 ASN HA 128 VAL QG1 4.26 (#SUP 0.89 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat=1633, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=2004,2005,2006,
&end
#
# 106 ASN HA 131 LEU HG 5.50 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1633,2049, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 106 ASN HA 131 LEU QD1 4.96 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1633, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=2051,2052,2053,
&end
#
# 106 ASN HA 131 LEU QD2 4.96 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1633, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=2055,2056,2057,
&end
#
# 106 ASN HA 131 LEU QQD 4.03
&rst
ixpk= 0, nxpk= 0, iat=1633, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=2051,2052,2053,2055,2056,2057,
&end
#
# 106 ASN HB2 106 ASN HD22 3.97 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat=1635,1641, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 106 ASN HB2 131 LEU HG 3.96 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1635,2049, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 106 ASN HB2 131 LEU QD1 4.27 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1635, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=2051,2052,2053,
&end
#
# 106 ASN HB2 131 LEU QD2 4.27 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1635, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=2055,2056,2057,
&end
#
# 106 ASN HB2 131 LEU QQD 3.18
&rst
ixpk= 1, nxpk= 0, iat=1635, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=2051,2052,2053,2055,2056,2057,
&end
#
# 106 ASN HB3 109 LYS HB2 4.23 (#SUP 0.81 #QF 0.53)
&rst
ixpk= 0, nxpk= 0, iat=1636,1695, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 106 ASN HB3 109 LYS HN 4.59 (#SUP 0.66 #QF 0.39)
&rst
ixpk= 0, nxpk= 0, iat=1636,1691, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 106 ASN HB3 128 VAL QG1 4.83 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1636, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=2004,2005,2006,
&end
#
# 106 ASN HB3 129 PRO HG2 3.91 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat=1636,2018, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 106 ASN HB3 129 PRO HG3 4.34 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1636,2019, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 106 ASN HB3 129 PRO QB 4.71
&rst
ixpk= 0, nxpk= 0, iat=1636, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2=2021,2022,
&end
#
# 106 ASN HB3 131 LEU HG 4.83 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1636,2049, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 106 ASN HB3 131 LEU QQD 3.52
&rst
ixpk= 0, nxpk= 0, iat=1636, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=2051,2052,2053,2055,2056,2057,
&end
#
# 106 ASN HD21 109 LYS HB3 4.84 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1640,1696, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 106 ASN HD21 109 LYS HG2 4.42 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1640,1698, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 106 ASN HD21 109 LYS HG3 3.94 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1640,1699, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 106 ASN HD21 109 LYS QD 4.51 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1640, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1701,1702,
&end
#
# 106 ASN HD21 109 LYS QE 4.38 (#SUP 0.66 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat=1640, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1704,1705,
&end
#
# 106 ASN HD21 129 PRO HG2 4.33 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1640,2018, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 106 ASN HD21 129 PRO HG3 5.03 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1640,2019, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 106 ASN HD21 131 LEU QQD 3.66
&rst
ixpk= 0, nxpk= 0, iat=1640, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2=2051,2052,2053,2055,2056,2057,
&end
#
# 106 ASN HD22 109 LYS HB3 4.79 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1641,1696, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 106 ASN HD22 109 LYS HG2 4.09 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1641,1698, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 106 ASN HD22 109 LYS HG3 3.75 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1641,1699, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 106 ASN HD22 109 LYS QD 4.06 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1641, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1701,1702,
&end
#
# 106 ASN HD22 109 LYS QE 4.03 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat=1641, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=1704,1705,
&end
#
# 106 ASN HD22 131 LEU QD1 4.80 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat=1641, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=2051,2052,2053,
&end
#
# 106 ASN HD22 131 LEU QD2 4.80 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1641, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=2055,2056,2057,
&end
#
# 106 ASN HD22 131 LEU QQD 3.73
&rst
ixpk= 1, nxpk= 0, iat=1641, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=2051,2052,2053,2055,2056,2057,
&end
#
# 106 ASN HN 106 ASN HB2 3.64 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1631,1635, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 106 ASN HN 106 ASN HB3 3.69 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1631,1636, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 106 ASN HN 106 ASN HD21 5.06 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1631,1640, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 106 ASN HN 107 TRP HN 4.57 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1631,1645, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 106 ASN HN 128 VAL QG1 3.70 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1631, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=2004,2005,2006,
&end
#
# 106 ASN HN 130 THR HA 3.88 (#SUP 0.61 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat=1631,2030, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 106 ASN HN 131 LEU HG 5.22 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1631,2049, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 106 ASN HN 131 LEU QD1 4.89 (#SUP 0.97 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat=1631, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=2051,2052,2053,
&end
#
# 106 ASN HN 131 LEU QD2 4.89 (#SUP 0.97 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat=1631, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=2055,2056,2057,
&end
#
# 106 ASN HN 131 LEU QQD 4.20
&rst
ixpk= 0, nxpk= 0, iat=1631, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=2051,2052,2053,2055,2056,2057,
&end
#
# 107 TRP HA 107 TRP HD1 4.53 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1647,1653, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 107 TRP HA 107 TRP HE3 4.00 (#SUP 1.00 #QF 0.99)
&rst
ixpk= 1, nxpk= 0, iat=1647,1664, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 107 TRP HA 109 LYS HN 4.36 (#SUP 1.00 #QF 0.99)
&rst
ixpk= 1, nxpk= 0, iat=1647,1691, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 107 TRP HA 110 SER HG 3.54 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat=1647,1720, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 107 TRP HA 110 SER HN 4.14 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1647,1713, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 107 TRP HA 128 VAL QG1 3.21 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1647, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2=2004,2005,2006,
&end
#
# 107 TRP HA 128 VAL QG2 4.18 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1647, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=2008,2009,2010,
&end
#
# 107 TRP HB2 108 LYS HN 4.39 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1649,1669, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 107 TRP HB3 107 TRP HE3 3.68 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1650,1664, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 107 TRP HB3 108 LYS HN 4.47 (#SUP 0.90 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat=1650,1669, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 107 TRP HB3 110 SER HB2 5.29 (#SUP 0.69 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat=1650,1717, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 107 TRP HB3 110 SER HB3 4.98 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat=1650,1718, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 107 TRP HB3 110 SER HG 4.68 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat=1650,1720, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 107 TRP HB3 128 VAL QG1 4.50 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1650, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2004,2005,2006,
&end
#
# 107 TRP HB3 128 VAL QG2 4.58 (#SUP 1.00 #QF 0.31)
&rst
ixpk= 1, nxpk= 0, iat=1650, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=2008,2009,2010,
&end
#
# 107 TRP HB3 158 VAL QG1 5.08 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1650, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2=2496,2497,2498,
&end
#
# 107 TRP HD1 128 VAL QG1 4.36 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1653, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=2004,2005,2006,
&end
#
# 107 TRP HD1 158 VAL QG1 5.04 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1653, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=2496,2497,2498,
&end
#
# 107 TRP HE1 128 VAL QG1 4.92 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1655, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2=2004,2005,2006,
&end
#
# 107 TRP HE1 158 VAL HA 5.25 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1655,2492, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 107 TRP HE1 158 VAL QG1 4.80 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1655, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=2496,2497,2498,
&end
#
# 107 TRP HE1 159 ILE HB 5.50 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1655,2510, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 107 TRP HE1 159 ILE HN 4.10 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1655,2506, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 107 TRP HE3 110 SER HB2 4.71 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1664,1717, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 107 TRP HE3 110 SER HB3 5.35 (#SUP 0.99 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1664,1718, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 107 TRP HE3 110 SER HG 4.20 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat=1664,1720, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 107 TRP HE3 126 PHE QD 4.24 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1664, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1972,1980,
&end
#
# 107 TRP HE3 128 VAL QG1 4.79 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1664, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=2004,2005,2006,
&end
#
# 107 TRP HE3 128 VAL QG2 4.26 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1664, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=2008,2009,2010,
&end
#
# 107 TRP HE3 158 VAL QG1 4.50 (#SUP 1.00 #QF 0.94)
&rst
ixpk= 1, nxpk= 0, iat=1664, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2496,2497,2498,
&end
#
# 107 TRP HH2 126 PHE HB2 4.63 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1660,1968, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 107 TRP HH2 126 PHE HB3 4.88 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1660,1969, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 107 TRP HH2 126 PHE QD 4.47 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1660, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1972,1980,
&end
#
# 107 TRP HH2 128 VAL QG2 4.32 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1660, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=2008,2009,2010,
&end
#
# 107 TRP HH2 139 ARG HB2 3.77 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat=1660,2152, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 107 TRP HH2 139 ARG HB3 4.04 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1660,2153, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 107 TRP HH2 139 ARG HD2 5.43 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1660,2158, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 107 TRP HH2 139 ARG HD3 5.43 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1660,2159, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 107 TRP HH2 139 ARG HG2 4.50 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1660,2155, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 107 TRP HH2 139 ARG HG3 4.50 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1660,2156, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 107 TRP HH2 139 ARG HN 5.26 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1660,2148, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 107 TRP HH2 139 ARG QD 4.55
&rst
ixpk= 1, nxpk= 0, iat=1660, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2=2158,2159,
&end
#
# 107 TRP HH2 141 VAL QG2 3.85 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1660, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=2204,2205,2206,
&end
#
# 107 TRP HH2 158 VAL HA 4.34 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1660,2492, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 107 TRP HH2 158 VAL QG1 4.47 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1660, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=2496,2497,2498,
&end
#
# 107 TRP HH2 158 VAL QG2 4.32 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1660, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=2500,2501,2502,
&end
#
# 107 TRP HH2 159 ILE HN 4.87 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1660,2506, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 107 TRP HN 107 TRP HB2 3.46 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1645,1649, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 107 TRP HN 107 TRP HB3 3.63 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1645,1650, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 107 TRP HN 107 TRP HD1 3.55 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1645,1653, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 107 TRP HN 107 TRP HE1 5.30 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1645,1655, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 107 TRP HN 107 TRP HE3 5.50 (#SUP 0.50 #QF 0.50)
&rst
ixpk= 0, nxpk= 0, iat=1645,1664, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 107 TRP HN 108 LYS HB2 4.44 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1645,1673, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 107 TRP HN 108 LYS HN 3.88 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1645,1669, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 107 TRP HN 108 LYS QG 4.70 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat=1645, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1676,1677,
&end
#
# 107 TRP HN 109 LYS HN 4.44 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1645,1691, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 107 TRP HN 110 SER HN 4.99 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1645,1713, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 107 TRP HN 128 VAL QG1 4.16 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1645, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2=2004,2005,2006,
&end
#
# 107 TRP HN 131 LEU QQD 5.44
&rst
ixpk= 1, nxpk= 0, iat=1645, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2=2051,2052,2053,2055,2056,2057,
&end
#
# 107 TRP HZ2 128 VAL QG2 4.33 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=2008,2009,2010,
&end
#
# 107 TRP HZ2 139 ARG HB3 4.78 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1658,2153, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 107 TRP HZ2 139 ARG QD 4.94
&rst
ixpk= 0, nxpk= 0, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=2158,2159,
&end
#
# 107 TRP HZ2 139 ARG QG 3.93
&rst
ixpk= 0, nxpk= 0, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=2155,2156,
&end
#
# 107 TRP HZ2 158 VAL HA 3.84 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1658,2492, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 107 TRP HZ2 158 VAL QG1 4.41 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=2496,2497,2498,
&end
#
# 107 TRP HZ2 158 VAL QG2 4.60 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=2500,2501,2502,
&end
#
# 107 TRP HZ2 159 ILE HG12 5.50 (#SUP 0.99 #QF 0.25)
&rst
ixpk= 0, nxpk= 0, iat=1658,2516, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 107 TRP HZ2 159 ILE HG13 5.03 (#SUP 0.91 #QF 0.62)
&rst
ixpk= 0, nxpk= 0, iat=1658,2517, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 107 TRP HZ2 159 ILE HN 3.70 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1658,2506, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 107 TRP HZ3 126 PHE HB2 4.29 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1662,1968, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 107 TRP HZ3 126 PHE HB3 4.45 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1662,1969, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 107 TRP HZ3 126 PHE QD 4.01 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1662, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=1972,1980,
&end
#
# 107 TRP HZ3 128 VAL QG2 4.22 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1662, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=2008,2009,2010,
&end
#
# 107 TRP HZ3 141 VAL QG2 4.28 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1662, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=2204,2205,2206,
&end
#
# 107 TRP HZ3 158 VAL QG1 4.64 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1662, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=2496,2497,2498,
&end
#
# 107 TRP HZ3 158 VAL QG2 4.56 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1662, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=2500,2501,2502,
&end
#
# 108 LYS HA 108 LYS QG 3.17 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1671, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2=1676,1677,
&end
#
# 108 LYS HB2 109 LYS HA 5.02 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=1673,1693, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 108 LYS HB2 109 LYS HN 3.68 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1673,1691, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 108 LYS HB3 109 LYS HN 3.88 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1674,1691, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 108 LYS HN 108 LYS HB2 3.47 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1669,1673, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 108 LYS HN 108 LYS HB3 3.61 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1669,1674, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 108 LYS HN 108 LYS QD 4.47 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1669, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1679,1680,
&end
#
# 108 LYS HN 108 LYS QG 3.63 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1669, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1676,1677,
&end
#
# 108 LYS HN 109 LYS HN 3.53 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1669,1691, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 108 LYS HN 110 SER HN 4.67 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1669,1713, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 108 LYS HN 128 VAL QG1 5.38 (#SUP 0.99 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1669, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr2=2004,2005,2006,
&end
#
# 108 LYS QG 109 LYS HN 4.60 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1,1691, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1676,1677,
&end
#
# 109 LYS HA 109 LYS HG2 3.51 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1693,1698, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 109 LYS HA 109 LYS HG3 3.82 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1693,1699, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 109 LYS HA 109 LYS QD 3.53 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1693, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1701,1702,
&end
#
# 109 LYS HA 109 LYS QE 3.97 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat=1693, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1704,1705,
&end
#
# 109 LYS HB2 110 SER HN 4.27 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat=1695,1713, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 109 LYS HB2 129 PRO HD2 4.71 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1695,2015, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 109 LYS HB2 129 PRO HG2 3.55 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat=1695,2018, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 109 LYS HB2 129 PRO HG3 3.91 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=1695,2019, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 109 LYS HB3 109 LYS QD 3.54 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1696, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2=1701,1702,
&end
#
# 109 LYS HB3 109 LYS QE 4.25 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1696, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1704,1705,
&end
#
# 109 LYS HB3 110 SER HN 4.53 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1696,1713, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 109 LYS HG2 109 LYS QE 3.67 (#SUP 0.86 #QF 0.27)
&rst
ixpk= 0, nxpk= 0, iat=1698, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1704,1705,
&end
#
# 109 LYS HG2 110 SER HN 4.60 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat=1698,1713, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 109 LYS HN 109 LYS HB2 3.27 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1691,1695, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 109 LYS HN 109 LYS HB3 3.74 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1691,1696, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 109 LYS HN 109 LYS HG2 3.64 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1691,1698, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 109 LYS HN 109 LYS HG3 4.16 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1691,1699, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 109 LYS HN 109 LYS QD 4.18 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1691, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2=1701,1702,
&end
#
# 109 LYS HN 109 LYS QE 5.24 (#SUP 0.66 #QF 0.39)
&rst
ixpk= 0, nxpk= 0, iat=1691, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1704,1705,
&end
#
# 109 LYS HN 110 SER HB3 5.50 (#SUP 0.99 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1691,1718, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 109 LYS HN 110 SER HG 5.04 (#SUP 0.85 #QF 0.54)
&rst
ixpk= 0, nxpk= 0, iat=1691,1720, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 109 LYS HN 110 SER HN 3.14 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1691,1713, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 109 LYS HN 128 VAL QG1 5.46 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1691, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2=2004,2005,2006,
&end
#
# 109 LYS HN 129 PRO HD2 4.82 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat=1691,2015, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 110 SER HB2 111 THR HN 3.25 (#SUP 0.97 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat=1717,1724, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 110 SER HB2 126 PHE HA 4.55 (#SUP 0.69 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat=1717,1966, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 110 SER HB2 126 PHE HB3 4.62 (#SUP 0.67 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat=1717,1969, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 110 SER HB2 126 PHE QD 3.75 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat=1717, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2=1972,1980,
&end
#
# 110 SER HB2 128 VAL QG1 4.09 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1717, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=2004,2005,2006,
&end
#
# 110 SER HB2 128 VAL QG2 3.70 (#SUP 1.00 #QF 0.97)
&rst
ixpk= 1, nxpk= 0, iat=1717, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=2008,2009,2010,
&end
#
# 110 SER HB3 111 THR HN 4.02 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1718,1724, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 110 SER HB3 126 PHE HB3 5.50 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1718,1969, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 110 SER HB3 126 PHE QD 4.75 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1718, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=1972,1980,
&end
#
# 110 SER HB3 128 VAL QG1 4.00 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1718, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=2004,2005,2006,
&end
#
# 110 SER HB3 128 VAL QG2 4.03 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1718, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=2008,2009,2010,
&end
#
# 110 SER HG 111 THR HN 4.46 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1720,1724, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 110 SER HG 128 VAL QG1 4.86 (#SUP 0.89 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat=1720, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=2004,2005,2006,
&end
#
# 110 SER HG 128 VAL QG2 4.64 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat=1720, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=2008,2009,2010,
&end
#
# 110 SER HN 110 SER HB2 3.61 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1713,1717, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 110 SER HN 110 SER HB3 3.43 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1713,1718, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 110 SER HN 110 SER HG 3.09 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat=1713,1720, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 110 SER HN 111 THR HN 4.78 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat=1713,1724, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 110 SER HN 128 VAL QG1 4.25 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1713, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=2004,2005,2006,
&end
#
# 110 SER HN 128 VAL QG2 5.46 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1713, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2=2008,2009,2010,
&end
#
# 110 SER HN 129 PRO HD2 4.44 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1713,2015, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 110 SER HN 129 PRO HD3 4.79 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1713,2016, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 110 SER HN 129 PRO HG3 5.03 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=1713,2019, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 111 THR HB 112 ALA HN 3.25 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1728,1738, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 111 THR HB 112 ALA QB 4.59 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1728, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1742,1743,1744,
&end
#
# 111 THR HN 111 THR HB 4.01 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1724,1728, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 111 THR HN 111 THR QG2 3.56 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1724, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=1730,1731,1732,
&end
#
# 111 THR HN 112 ALA HN 4.62 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1724,1738, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 111 THR HN 126 PHE HA 4.51 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1724,1966, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 111 THR HN 126 PHE QD 4.88 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1724, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1972,1980,
&end
#
# 111 THR HN 127 THR HB 4.32 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1724,1988, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 111 THR HN 127 THR HN 3.81 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1724,1984, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 111 THR HN 127 THR QG2 4.48 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat=1724, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1990,1991,1992,
&end
#
# 111 THR HN 128 VAL QG1 5.50 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat=1724, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2004,2005,2006,
&end
#
# 111 THR HN 128 VAL QG2 4.80 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1724, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=2008,2009,2010,
&end
#
# 111 THR HN 129 PRO HD2 5.32 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1724,2015, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 111 THR HN 129 PRO HD3 4.73 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1724,2016, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 111 THR QG2 112 ALA HN 3.79 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1,1738, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1=1730,1731,1732,
&end
#
# 111 THR QG2 127 THR HB 4.58 (#SUP 0.58 #QF 0.58)
&rst
ixpk= 0, nxpk= 0, iat= -1,1988, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1730,1731,1732,
&end
#
# 112 ALA HA 113 LYS HB2 4.62 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat=1740,1752, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 112 ALA HA 113 LYS HB3 4.72 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat=1740,1753, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 112 ALA HA 113 LYS HN 3.07 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=1740,1748, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 112 ALA HA 126 PHE HA 3.60 (#SUP 0.66 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat=1740,1966, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 112 ALA HN 112 ALA QB 3.19 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1738, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=1742,1743,1744,
&end
#
# 112 ALA HN 113 LYS HN 4.73 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1738,1748, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 112 ALA QB 113 LYS HN 3.47 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,1748, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1=1742,1743,1744,
&end
#
# 112 ALA QB 114 LEU HN 5.20 (#SUP 0.83 #QF 0.62)
&rst
ixpk= 0, nxpk= 0, iat= -1,1770, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=1742,1743,1744,
&end
#
# 112 ALA QB 124 TYR HB2 3.97 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,1932, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1742,1743,1744,
&end
#
# 112 ALA QB 124 TYR HB3 3.97 (#SUP 0.99 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,1933, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1742,1743,1744,
&end
#
# 112 ALA QB 124 TYR QD 3.24 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1=1742,1743,1744,
igr2=1936,1945,
&end
#
# 112 ALA QB 124 TYR QE 3.61 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1=1742,1743,1744,
igr2=1938,1943,
&end
#
# 112 ALA QB 125 GLU HN 4.80 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1949, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1742,1743,1744,
&end
#
# 112 ALA QB 126 PHE HA 4.03 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1966, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1742,1743,1744,
&end
#
# 112 ALA QB 126 PHE HZ 4.14 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1976, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1=1742,1743,1744,
&end
#
# 112 ALA QB 126 PHE QD 3.88 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=1742,1743,1744,
igr2=1972,1980,
&end
#
# 112 ALA QB 126 PHE QE 3.42 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=1742,1743,1744,
igr2=1974,1978,
&end
#
# 112 ALA QB 127 THR HN 5.25 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1,1984, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1742,1743,1744,
&end
#
# 113 LYS HA 114 LEU HB2 4.88 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat=1750,1774, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 113 LYS HB2 113 LYS QE 4.53 (#SUP 0.79 #QF 0.36)
&rst
ixpk= 0, nxpk= 0, iat=1752, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1761,1762,
&end
#
# 113 LYS HB2 114 LEU HN 4.38 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1752,1770, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 113 LYS HB2 125 GLU HB3 4.06 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat=1752,1954, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 113 LYS HB2 125 GLU HN 4.81 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1752,1949, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 113 LYS HB3 113 LYS QE 4.37 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=1753, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1761,1762,
&end
#
# 113 LYS HB3 114 LEU HN 4.53 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1753,1770, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 113 LYS HB3 115 ILE QD1 3.61 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat=1753, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1802,1803,1804,
&end
#
# 113 LYS HB3 125 GLU HB3 4.28 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1753,1954, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 113 LYS HB3 125 GLU HN 4.40 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1753,1949, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 113 LYS HG2 114 LEU HN 4.86 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1755,1770, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 113 LYS HG3 114 LEU HN 4.86 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=1756,1770, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 113 LYS HN 113 LYS HB2 3.49 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1748,1752, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 113 LYS HN 113 LYS HB3 3.54 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1748,1753, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 113 LYS HN 113 LYS QD 4.63 (#SUP 0.51 #QF 0.51)
&rst
ixpk= 0, nxpk= 0, iat=1748, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1758,1759,
&end
#
# 113 LYS HN 113 LYS QG 5.19
&rst
ixpk= 0, nxpk= 0, iat=1748, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr2=1755,1756,
&end
#
# 113 LYS HN 114 LEU HN 4.22 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1748,1770, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 113 LYS HN 115 ILE HG12 5.50 (#SUP 0.78 #QF 0.45)
&rst
ixpk= 0, nxpk= 0, iat=1748,1799, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 113 LYS HN 124 TYR QB 4.82
&rst
ixpk= 0, nxpk= 0, iat=1748, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2=1932,1933,
&end
#
# 113 LYS HN 124 TYR QD 4.00 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1748, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1936,1945,
&end
#
# 113 LYS HN 124 TYR QE 4.63 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1748, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1938,1943,
&end
#
# 113 LYS HN 125 GLU HB3 4.59 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1748,1954, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 113 LYS HN 125 GLU HN 3.84 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1748,1949, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 113 LYS HN 126 PHE HA 4.52 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1748,1966, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 113 LYS HN 126 PHE QD 4.87 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1748, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2=1972,1980,
&end
#
# 113 LYS QE 115 ILE HA 4.42 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= -1,1791, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=1761,1762,
&end
#
# 113 LYS QE 115 ILE HG12 4.72 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= -1,1799, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1761,1762,
&end
#
# 113 LYS QE 115 ILE HG13 5.17 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= -1,1800, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1761,1762,
&end
#
# 113 LYS QE 115 ILE HN 5.50 (#SUP 0.91 #QF 0.47)
&rst
ixpk= 0, nxpk= 0, iat= -1,1789, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1761,1762,
&end
#
# 113 LYS QE 115 ILE QD1 3.00 (#SUP 0.53 #QF 0.53)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1761,1762,
igr2=1802,1803,1804,
&end
#
# 113 LYS QE 115 ILE QG2 4.41 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1761,1762,
igr2=1795,1796,1797,
&end
#
# 113 LYS QG 114 LEU HN 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1,1770, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1755,1756,
&end
#
# 114 LEU HA 114 LEU HG 3.80 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1772,1777, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 114 LEU HA 114 LEU QD1 3.18 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1772, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1779,1780,1781,
&end
#
# 114 LEU HA 114 LEU QD2 4.24 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1772, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=1783,1784,1785,
&end
#
# 114 LEU HA 115 ILE HB 4.79 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1772,1793, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 114 LEU HA 115 ILE HG12 4.60 (#SUP 0.99 #QF 0.33)
&rst
ixpk= 0, nxpk= 0, iat=1772,1799, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 114 LEU HA 115 ILE HN 3.36 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1772,1789, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 114 LEU HA 116 SER HN 4.24 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1772,1808, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 114 LEU HA 122 ILE QG2 4.41 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1772, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1901,1902,1903,
&end
#
# 114 LEU HA 124 TYR HA 3.67 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1772,1930, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 114 LEU HA 124 TYR QD 4.15 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1772, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1936,1945,
&end
#
# 114 LEU HA 124 TYR QE 4.19 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1772, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1938,1943,
&end
#
# 114 LEU HA 125 GLU HN 4.41 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1772,1949, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 114 LEU HB2 114 LEU QD1 3.13 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1774, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2=1779,1780,1781,
&end
#
# 114 LEU HB2 114 LEU QD2 3.56 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1774, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=1783,1784,1785,
&end
#
# 114 LEU HB2 115 ILE HN 4.91 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1774,1789, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 114 LEU HB2 124 TYR QD 4.44 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1774, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=1936,1945,
&end
#
# 114 LEU HB2 124 TYR QE 3.83 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1774, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1938,1943,
&end
#
# 114 LEU HB3 114 LEU QD1 3.74 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1775, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1779,1780,1781,
&end
#
# 114 LEU HB3 114 LEU QD2 3.21 (#SUP 0.98 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat=1775, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2=1783,1784,1785,
&end
#
# 114 LEU HB3 115 ILE HN 4.61 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat=1775,1789, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 114 LEU HB3 124 TYR QE 4.16 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1775, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1938,1943,
&end
#
# 114 LEU HG 115 ILE HA 4.85 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat=1777,1791, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 114 LEU HG 115 ILE HN 3.97 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1777,1789, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 114 LEU HG 116 SER HN 4.24 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1777,1808, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 114 LEU HG 124 TYR HA 5.42 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1777,1930, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 114 LEU HG 124 TYR QD 5.50 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1777, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1936,1945,
&end
#
# 114 LEU HG 124 TYR QE 5.12 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1777, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=1938,1943,
&end
#
# 114 LEU HN 114 LEU HB2 3.46 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1770,1774, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 114 LEU HN 114 LEU HB3 3.40 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1770,1775, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 114 LEU HN 114 LEU HG 4.70 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1770,1777, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 114 LEU HN 114 LEU QD1 4.24 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1770, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=1779,1780,1781,
&end
#
# 114 LEU HN 114 LEU QD2 4.31 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1770, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=1783,1784,1785,
&end
#
# 114 LEU HN 124 TYR QD 4.71 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1770, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2=1936,1945,
&end
#
# 114 LEU HN 124 TYR QE 4.25 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1770, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1938,1943,
&end
#
# 114 LEU QD1 115 ILE HA 5.13 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1791, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1=1779,1780,1781,
&end
#
# 114 LEU QD1 115 ILE HN 3.40 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1789, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1=1779,1780,1781,
&end
#
# 114 LEU QD1 116 SER HN 3.65 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,1808, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1779,1780,1781,
&end
#
# 114 LEU QD1 117 LYS HB2 4.36 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= -1,1823, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1779,1780,1781,
&end
#
# 114 LEU QD1 117 LYS HB3 4.36 (#SUP 0.78 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat= -1,1824, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1779,1780,1781,
&end
#
# 114 LEU QD1 117 LYS QB 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1779,1780,1781,
igr2=1823,1824,
&end
#
# 114 LEU QD1 117 LYS QD 4.40 (#SUP 0.78 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1779,1780,1781,
igr2=1829,1830,
&end
#
# 114 LEU QD1 117 LYS QE 3.74 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1779,1780,1781,
igr2=1832,1833,
&end
#
# 114 LEU QD1 117 LYS QG 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1779,1780,1781,
igr2=1826,1827,
&end
#
# 114 LEU QD1 122 ILE QG2 2.94 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1779,1780,1781,
igr2=1901,1902,1903,
&end
#
# 114 LEU QD1 123 THR HN 4.01 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1,1914, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1=1779,1780,1781,
&end
#
# 114 LEU QD1 124 TYR HA 4.42 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= -1,1930, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1779,1780,1781,
&end
#
# 114 LEU QD1 124 TYR QD 3.99 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=1779,1780,1781,
igr2=1936,1945,
&end
#
# 114 LEU QD1 124 TYR QE 3.38 (#SUP 0.68 #QF 0.48)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1779,1780,1781,
igr2=1938,1943,
&end
#
# 114 LEU QD1 143 PHE QD 5.50 (#SUP 0.61 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1779,1780,1781,
igr2=2232,2240,
&end
#
# 114 LEU QD2 115 ILE HN 5.27 (#SUP 1.00 #QF 0.97)
&rst
ixpk= 1, nxpk= 0, iat= -1,1789, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1=1783,1784,1785,
&end
#
# 114 LEU QD2 116 SER HN 5.05 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1808, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1783,1784,1785,
&end
#
# 114 LEU QD2 117 LYS HA 4.87 (#SUP 0.74 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat= -1,1821, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1=1783,1784,1785,
&end
#
# 114 LEU QD2 117 LYS HN 5.50 (#SUP 1.00 #QF 0.97)
&rst
ixpk= 1, nxpk= 0, iat= -1,1819, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1783,1784,1785,
&end
#
# 114 LEU QD2 117 LYS QB 3.74
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1783,1784,1785,
igr2=1823,1824,
&end
#
# 114 LEU QD2 117 LYS QE 3.78 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1783,1784,1785,
igr2=1832,1833,
&end
#
# 114 LEU QD2 124 TYR QD 5.45 (#SUP 0.60 #QF 0.60)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
igr1=1783,1784,1785,
igr2=1936,1945,
&end
#
# 114 LEU QD2 124 TYR QE 4.30 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1783,1784,1785,
igr2=1938,1943,
&end
#
# 115 ILE HA 115 ILE HG12 3.87 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1791,1799, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 115 ILE HA 115 ILE HG13 3.85 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1791,1800, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 115 ILE HA 115 ILE QD1 2.90 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1791, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=1802,1803,1804,
&end
#
# 115 ILE HA 115 ILE QG2 3.02 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1791, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2=1795,1796,1797,
&end
#
# 115 ILE HB 116 SER HB2 4.53 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat=1793,1812, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 115 ILE HB 116 SER HB3 4.53 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat=1793,1813, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 115 ILE HB 116 SER HN 3.33 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1793,1808, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 115 ILE HB 123 THR HB 3.77 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1793,1918, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 115 ILE HB 123 THR HN 4.96 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1793,1914, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 115 ILE HB 123 THR QG2 3.59 (#SUP 0.99 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1793, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=1920,1921,1922,
&end
#
# 115 ILE HB 124 TYR HA 4.67 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1793,1930, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 115 ILE HG12 116 SER HN 4.32 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1799,1808, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 115 ILE HG12 123 THR HB 4.74 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat=1799,1918, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 115 ILE HG12 124 TYR HA 4.24 (#SUP 0.99 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1799,1930, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 115 ILE HG12 125 GLU HB3 4.49 (#SUP 0.99 #QF 0.49)
&rst
ixpk= 0, nxpk= 0, iat=1799,1954, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 115 ILE HG12 125 GLU HN 4.07 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1799,1949, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 115 ILE HG13 116 SER HN 5.05 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1800,1808, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 115 ILE HG13 123 THR HB 4.84 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1800,1918, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 115 ILE HG13 124 TYR HA 4.74 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1800,1930, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 115 ILE HG13 125 GLU HA 4.91 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat=1800,1951, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 115 ILE HG13 125 GLU HB2 3.50 (#SUP 0.56 #QF 0.56)
&rst
ixpk= 0, nxpk= 0, iat=1800,1953, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 115 ILE HG13 125 GLU HB3 4.54 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1800,1954, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 115 ILE HG13 125 GLU HN 4.20 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1800,1949, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 115 ILE HN 115 ILE HB 3.66 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1789,1793, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 115 ILE HN 115 ILE HG12 3.88 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1789,1799, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 115 ILE HN 115 ILE HG13 4.16 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1789,1800, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 115 ILE HN 115 ILE QD1 3.86 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1789, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1802,1803,1804,
&end
#
# 115 ILE HN 115 ILE QG2 3.92 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1789, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1795,1796,1797,
&end
#
# 115 ILE HN 116 SER HN 3.17 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1789,1808, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 115 ILE HN 123 THR HB 4.65 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1789,1918, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 115 ILE HN 123 THR HN 4.76 (#SUP 0.53 #QF 0.53)
&rst
ixpk= 0, nxpk= 0, iat=1789,1914, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 115 ILE HN 123 THR QG2 4.64 (#SUP 0.99 #QF 0.39)
&rst
ixpk= 0, nxpk= 0, iat=1789, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1920,1921,1922,
&end
#
# 115 ILE HN 124 TYR HA 3.73 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1789,1930, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 115 ILE HN 124 TYR QD 4.87 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1789, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2=1936,1945,
&end
#
# 115 ILE HN 125 GLU HN 4.40 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1789,1949, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 115 ILE QD1 116 SER HN 4.83 (#SUP 0.59 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat= -1,1808, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1802,1803,1804,
&end
#
# 115 ILE QD1 123 THR HB 5.20 (#SUP 0.51 #QF 0.51)
&rst
ixpk= 0, nxpk= 0, iat= -1,1918, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=1802,1803,1804,
&end
#
# 115 ILE QD1 124 TYR HA 4.12 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1,1930, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1802,1803,1804,
&end
#
# 115 ILE QD1 125 GLU HA 4.12 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1,1951, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1802,1803,1804,
&end
#
# 115 ILE QD1 125 GLU HB2 2.85 (#SUP 0.59 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat= -1,1953, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr1=1802,1803,1804,
&end
#
# 115 ILE QD1 125 GLU HB3 3.37 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1954, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1=1802,1803,1804,
&end
#
# 115 ILE QD1 125 GLU HN 4.00 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,1949, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1802,1803,1804,
&end
#
# 115 ILE QD1 140 LYS HA 5.44 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat= -1,2174, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1=1802,1803,1804,
&end
#
# 115 ILE QD1 140 LYS HG2 4.14 (#SUP 0.57 #QF 0.57)
&rst
ixpk= 0, nxpk= 0, iat= -1,2179, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1=1802,1803,1804,
&end
#
# 115 ILE QG2 115 ILE HG12 3.33 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,1799, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1795,1796,1797,
&end
#
# 115 ILE QG2 115 ILE HG13 3.48 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,1800, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=1795,1796,1797,
&end
#
# 115 ILE QG2 116 SER HB2 3.95 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1,1812, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=1795,1796,1797,
&end
#
# 115 ILE QG2 116 SER HB3 3.95 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1813, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=1795,1796,1797,
&end
#
# 115 ILE QG2 116 SER HN 3.78 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,1808, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1795,1796,1797,
&end
#
# 115 ILE QG2 116 SER QB 3.35
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1=1795,1796,1797,
igr2=1812,1813,
&end
#
# 115 ILE QG2 123 THR HB 4.15 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1,1918, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1=1795,1796,1797,
&end
#
# 115 ILE QG2 124 TYR HA 5.08 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1930, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=1795,1796,1797,
&end
#
# 115 ILE QG2 125 GLU HN 5.50 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,1949, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1795,1796,1797,
&end
#
# 116 SER HA 117 LYS HN 3.35 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1810,1819, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 116 SER HB2 117 LYS HN 4.24 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1812,1819, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 116 SER HB2 118 LYS QD 5.34 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1812, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1851,1852,
&end
#
# 116 SER HB2 118 LYS QG 5.03 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1812, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2=1848,1849,
&end
#
# 116 SER HB2 123 THR HN 5.39 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1812,1914, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 116 SER HB2 123 THR QG2 5.13 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1812, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2=1920,1921,1922,
&end
#
# 116 SER HB3 117 LYS HN 4.24 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat=1813,1819, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 116 SER HB3 118 LYS QD 5.34 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1813, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1851,1852,
&end
#
# 116 SER HB3 118 LYS QG 5.03 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1813, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2=1848,1849,
&end
#
# 116 SER HB3 123 THR HN 5.39 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1813,1914, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 116 SER HB3 123 THR QG2 5.13 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1813, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2=1920,1921,1922,
&end
#
# 116 SER HN 116 SER HB2 4.09 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1808,1812, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 116 SER HN 116 SER HB3 4.09 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat=1808,1813, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 116 SER HN 116 SER QB 3.57
&rst
ixpk= 0, nxpk= 0, iat=1808, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1812,1813,
&end
#
# 116 SER HN 117 LYS HN 5.06 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1808,1819, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 116 SER HN 122 ILE QG2 4.56 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1808, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1901,1902,1903,
&end
#
# 116 SER HN 123 THR HB 3.50 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1808,1918, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 116 SER HN 123 THR HN 3.69 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1808,1914, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 116 SER HN 123 THR QG2 4.19 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1808, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1920,1921,1922,
&end
#
# 116 SER HN 124 TYR HA 4.50 (#SUP 0.37 #QF 0.37)
&rst
ixpk= 0, nxpk= 0, iat=1808,1930, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 116 SER QB 117 LYS HN 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1819, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1=1812,1813,
&end
#
# 116 SER QB 118 LYS QD 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1812,1813,
igr2=1851,1852,
&end
#
# 116 SER QB 118 LYS QG 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=1812,1813,
igr2=1848,1849,
&end
#
# 116 SER QB 123 THR HN 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1,1914, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=1812,1813,
&end
#
# 116 SER QB 123 THR QG2 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1=1812,1813,
igr2=1920,1921,1922,
&end
#
# 117 LYS HA 118 LYS HN 2.90 (#SUP 0.72 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat=1821,1841, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 117 LYS HA 122 ILE HG13 4.00 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat=1821,1906, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 117 LYS HA 122 ILE QD1 4.27 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat=1821, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1908,1909,1910,
&end
#
# 117 LYS HB2 117 LYS QE 4.32 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1823, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1832,1833,
&end
#
# 117 LYS HB2 122 ILE HG12 4.53 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1823,1905, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 117 LYS HB2 122 ILE QD1 5.07 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1823, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=1908,1909,1910,
&end
#
# 117 LYS HB3 117 LYS QE 4.32 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1824, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1832,1833,
&end
#
# 117 LYS HB3 122 ILE HG12 4.53 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1824,1905, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 117 LYS HB3 122 ILE QD1 5.07 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1824, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=1908,1909,1910,
&end
#
# 117 LYS HG2 117 LYS QE 4.01 (#SUP 0.91 #QF 0.36)
&rst
ixpk= 0, nxpk= 0, iat=1826, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=1832,1833,
&end
#
# 117 LYS HG2 122 ILE QD1 4.25 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1826, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1908,1909,1910,
&end
#
# 117 LYS HG3 117 LYS QE 4.01 (#SUP 0.93 #QF 0.50)
&rst
ixpk= 0, nxpk= 0, iat=1827, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=1832,1833,
&end
#
# 117 LYS HG3 122 ILE QD1 4.25 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=1827, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1908,1909,1910,
&end
#
# 117 LYS QB 117 LYS QE 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1823,1824,
igr2=1832,1833,
&end
#
# 117 LYS QB 122 ILE HG12 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1905, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1=1823,1824,
&end
#
# 117 LYS QB 122 ILE QD1 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=1823,1824,
igr2=1908,1909,1910,
&end
#
# 117 LYS QE 118 LYS HN 5.50 (#SUP 0.80 #QF 0.32)
&rst
ixpk= 0, nxpk= 0, iat= -1,1841, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1832,1833,
&end
#
# 117 LYS QE 122 ILE QD1 3.73 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=1832,1833,
igr2=1908,1909,1910,
&end
#
# 117 LYS QG 118 LYS HN 4.20
&rst
ixpk= 1, nxpk= 0, iat= -1,1841, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1826,1827,
&end
#
# 117 LYS QG 122 ILE HG12 4.19
&rst
ixpk= 1, nxpk= 0, iat= -1,1905, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1=1826,1827,
&end
#
# 118 LYS HA 118 LYS QE 4.47 (#SUP 0.66 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat=1843, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1854,1855,
&end
#
# 118 LYS HA 118 LYS QG 4.14 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat=1843, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1848,1849,
&end
#
# 118 LYS HB2 121 THR HB 4.47 (#SUP 0.58 #QF 0.42)
&rst
ixpk= 0, nxpk= 0, iat=1845,1885, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 118 LYS HB2 121 THR HN 5.11 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1845,1881, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 118 LYS HB3 121 THR HB 4.47 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=1846,1885, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 118 LYS HB3 121 THR HN 5.11 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat=1846,1881, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 118 LYS HN 118 LYS QB 3.23
&rst
ixpk= 0, nxpk= 0, iat=1841, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2=1845,1846,
&end
#
# 118 LYS HN 118 LYS QD 4.52 (#SUP 0.98 #QF 0.42)
&rst
ixpk= 0, nxpk= 0, iat=1841, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1851,1852,
&end
#
# 118 LYS HN 118 LYS QE 5.50 (#SUP 0.80 #QF 0.32)
&rst
ixpk= 0, nxpk= 0, iat=1841, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1854,1855,
&end
#
# 118 LYS HN 118 LYS QG 3.70 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1841, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=1848,1849,
&end
#
# 118 LYS HN 121 THR HB 4.38 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat=1841,1885, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 118 LYS HN 121 THR HN 4.12 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1841,1881, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 118 LYS HN 122 ILE HA 3.07 (#SUP 0.59 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat=1841,1897, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 118 LYS HN 122 ILE HG12 4.44 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1841,1905, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 118 LYS HN 122 ILE HG13 4.68 (#SUP 0.98 #QF 0.42)
&rst
ixpk= 0, nxpk= 0, iat=1841,1906, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 118 LYS HN 122 ILE QG2 4.88 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1841, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=1901,1902,1903,
&end
#
# 118 LYS HN 123 THR HN 4.85 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1841,1914, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 118 LYS QB 121 THR HB 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1,1885, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1=1845,1846,
&end
#
# 118 LYS QB 121 THR HN 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1881, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1845,1846,
&end
#
# 118 LYS QG 118 LYS QD 2.67 (#SUP 0.99 #QF 0.51)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1848,1849,
igr2=1851,1852,
&end
#
# 118 LYS QG 118 LYS QE 3.92 (#SUP 0.91 #QF 0.36)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1848,1849,
igr2=1854,1855,
&end
#
# 120 SER HB2 144 VAL HA 5.01 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat=1874,2246, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 120 SER HB3 144 VAL HA 5.01 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1875,2246, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 120 SER QB 121 THR HN 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1881, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1=1874,1875,
&end
#
# 120 SER QB 144 VAL HA 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1,2246, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1874,1875,
&end
#
# 120 SER QB 144 VAL QQG 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1874,1875,
igr2=2250,2251,2252,2254,2255,2256,
&end
#
# 120 SER QB 145 LYS HN 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1,2260, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1=1874,1875,
&end
#
# 120 SER QB 145 LYS QB 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1=1874,1875,
igr2=2264,2265,
&end
#
# 120 SER QB 145 LYS QD 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1874,1875,
igr2=2270,2271,
&end
#
# 121 THR HA 121 THR QG2 3.10 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1883, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2=1887,1888,1889,
&end
#
# 121 THR HA 122 ILE HB 4.60 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat=1883,1899, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 121 THR HA 122 ILE HN 3.17 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1883,1895, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 121 THR HA 142 THR QG2 4.17 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1883, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=2216,2217,2218,
&end
#
# 121 THR HA 144 VAL HA 3.48 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1883,2246, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 121 THR HA 144 VAL HB 5.24 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1883,2248, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 121 THR HA 144 VAL QG1 3.93 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1883, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2250,2251,2252,
&end
#
# 121 THR HA 144 VAL QG2 3.93 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1883, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2254,2255,2256,
&end
#
# 121 THR HA 144 VAL QQG 3.38
&rst
ixpk= 0, nxpk= 0, iat=1883, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=2250,2251,2252,2254,2255,2256,
&end
#
# 121 THR HA 145 LYS HN 4.19 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1883,2260, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 121 THR HA 150 TRP HZ3 3.68 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1883,2372, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 121 THR HB 122 ILE HN 4.17 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1885,1895, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 121 THR HB 142 THR QG2 4.22 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat=1885, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=2216,2217,2218,
&end
#
# 121 THR HB 144 VAL QQG 4.53
&rst
ixpk= 0, nxpk= 0, iat=1885, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=2250,2251,2252,2254,2255,2256,
&end
#
# 121 THR HB 150 TRP HZ3 5.50 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1885,2372, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 121 THR HN 121 THR HB 3.31 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1881,1885, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 121 THR HN 121 THR QG2 3.95 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1881, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1887,1888,1889,
&end
#
# 121 THR HN 122 ILE HN 4.50 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1881,1895, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 121 THR HN 144 VAL HA 4.81 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1881,2246, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 121 THR HN 144 VAL QQG 5.12
&rst
ixpk= 1, nxpk= 0, iat=1881, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2=2250,2251,2252,2254,2255,2256,
&end
#
# 121 THR HN 150 TRP HH2 5.11 (#SUP 0.90 #QF 0.57)
&rst
ixpk= 0, nxpk= 0, iat=1881,2370, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 121 THR HN 150 TRP HZ3 4.93 (#SUP 0.91 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat=1881,2372, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 121 THR QG2 122 ILE HN 3.42 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1,1895, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1=1887,1888,1889,
&end
#
# 121 THR QG2 123 THR HA 5.32 (#SUP 0.89 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat= -1,1916, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1=1887,1888,1889,
&end
#
# 121 THR QG2 123 THR HN 4.81 (#SUP 0.33 #QF 0.33)
&rst
ixpk= 0, nxpk= 0, iat= -1,1914, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=1887,1888,1889,
&end
#
# 121 THR QG2 142 THR HA 4.42 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= -1,2212, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1887,1888,1889,
&end
#
# 121 THR QG2 142 THR HB 4.32 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= -1,2214, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1887,1888,1889,
&end
#
# 121 THR QG2 143 PHE HA 5.50 (#SUP 0.89 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat= -1,2226, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1887,1888,1889,
&end
#
# 121 THR QG2 143 PHE HN 4.67 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= -1,2224, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1887,1888,1889,
&end
#
# 121 THR QG2 144 VAL HA 3.67 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1,2246, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1887,1888,1889,
&end
#
# 121 THR QG2 150 TRP HZ3 4.51 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,2372, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1887,1888,1889,
&end
#
# 121 THR QG2 153 ASN HB3 4.68 (#SUP 0.43 #QF 0.43)
&rst
ixpk= 0, nxpk= 0, iat= -1,2422, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=1887,1888,1889,
&end
#
# 121 THR QG2 153 ASN HD21 4.34 (#SUP 0.63 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat= -1,2426, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1=1887,1888,1889,
&end
#
# 122 ILE HB 122 ILE QD1 3.29 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1899, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=1908,1909,1910,
&end
#
# 122 ILE HB 123 THR HN 4.65 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1899,1914, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 122 ILE HB 143 PHE QD 4.66 (#SUP 0.95 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=1899, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2=2232,2240,
&end
#
# 122 ILE HB 150 TRP HE3 4.92 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat=1899,2374, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 122 ILE HG12 123 THR HN 4.30 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1905,1914, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 122 ILE HG12 150 TRP HH2 4.11 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat=1905,2370, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 122 ILE HG13 123 THR HN 5.08 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1906,1914, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 122 ILE HG13 150 TRP HH2 4.18 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1906,2370, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 122 ILE HG13 150 TRP HZ2 4.82 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1906,2368, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 122 ILE HG13 150 TRP HZ3 4.58 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1906,2372, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 122 ILE HN 122 ILE HB 3.74 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1895,1899, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 122 ILE HN 122 ILE HG12 4.83 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1895,1905, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 122 ILE HN 122 ILE HG13 4.23 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1895,1906, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 122 ILE HN 122 ILE QD1 4.71 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1895, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1908,1909,1910,
&end
#
# 122 ILE HN 122 ILE QG2 3.98 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1895, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1901,1902,1903,
&end
#
# 122 ILE HN 123 THR HN 4.71 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1895,1914, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 122 ILE HN 142 THR QG2 3.88 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat=1895, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=2216,2217,2218,
&end
#
# 122 ILE HN 143 PHE HB2 4.50 (#SUP 0.50 #QF 0.50)
&rst
ixpk= 0, nxpk= 0, iat=1895,2228, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 122 ILE HN 144 VAL HA 4.27 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1895,2246, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 122 ILE HN 144 VAL QQG 5.28
&rst
ixpk= 0, nxpk= 0, iat=1895, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr2=2250,2251,2252,2254,2255,2256,
&end
#
# 122 ILE HN 150 TRP HZ3 3.81 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1895,2372, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 122 ILE QD1 124 TYR QE 4.04 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1908,1909,1910,
igr2=1938,1943,
&end
#
# 122 ILE QD1 150 TRP HH2 3.42 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= -1,2370, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1=1908,1909,1910,
&end
#
# 122 ILE QD1 150 TRP HZ2 4.03 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,2368, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1908,1909,1910,
&end
#
# 122 ILE QD1 150 TRP HZ3 4.75 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,2372, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1908,1909,1910,
&end
#
# 122 ILE QG2 122 ILE HG13 3.34 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1906, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1=1901,1902,1903,
&end
#
# 122 ILE QG2 122 ILE QD1 3.06 (#SUP 0.65 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1901,1902,1903,
igr2=1908,1909,1910,
&end
#
# 122 ILE QG2 123 THR HA 4.31 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= -1,1916, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=1901,1902,1903,
&end
#
# 122 ILE QG2 123 THR HB 4.50 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1,1918, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1901,1902,1903,
&end
#
# 122 ILE QG2 123 THR HN 3.68 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,1914, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1=1901,1902,1903,
&end
#
# 122 ILE QG2 124 TYR HB2 5.50 (#SUP 0.97 #QF 0.53)
&rst
ixpk= 0, nxpk= 0, iat= -1,1932, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1901,1902,1903,
&end
#
# 122 ILE QG2 124 TYR HB3 5.50 (#SUP 0.97 #QF 0.43)
&rst
ixpk= 0, nxpk= 0, iat= -1,1933, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1901,1902,1903,
&end
#
# 122 ILE QG2 124 TYR HN 5.15 (#SUP 1.00 #QF 0.95)
&rst
ixpk= 1, nxpk= 0, iat= -1,1928, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1=1901,1902,1903,
&end
#
# 122 ILE QG2 124 TYR QB 4.83
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=1901,1902,1903,
igr2=1932,1933,
&end
#
# 122 ILE QG2 124 TYR QD 3.41 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1901,1902,1903,
igr2=1936,1945,
&end
#
# 122 ILE QG2 124 TYR QE 3.28 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1=1901,1902,1903,
igr2=1938,1943,
&end
#
# 122 ILE QG2 143 PHE HB2 4.11 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= -1,2228, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1901,1902,1903,
&end
#
# 122 ILE QG2 143 PHE HN 4.35 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1,2224, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1901,1902,1903,
&end
#
# 122 ILE QG2 143 PHE QD 3.91 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1=1901,1902,1903,
igr2=2232,2240,
&end
#
# 122 ILE QG2 150 TRP HZ3 5.10 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1,2372, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1901,1902,1903,
&end
#
# 123 THR HA 123 THR QG2 3.35 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1916, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1920,1921,1922,
&end
#
# 123 THR HA 124 TYR HN 3.26 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1916,1928, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 123 THR HA 142 THR HA 3.57 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1916,2212, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 123 THR HA 142 THR HB 5.50 (#SUP 0.98 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat=1916,2214, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 123 THR HA 142 THR HN 4.94 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1916,2210, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 123 THR HA 142 THR QG2 3.86 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat=1916, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=2216,2217,2218,
&end
#
# 123 THR HA 143 PHE HN 4.11 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1916,2224, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 123 THR HA 143 PHE QD 4.27 (#SUP 0.99 #QF 0.52)
&rst
ixpk= 0, nxpk= 0, iat=1916, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=2232,2240,
&end
#
# 123 THR HB 124 TYR HN 4.71 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1918,1928, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 123 THR HN 123 THR HB 3.54 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1914,1918, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 123 THR HN 123 THR QG2 4.00 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1914, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1920,1921,1922,
&end
#
# 123 THR HN 124 TYR HN 5.03 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1914,1928, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 123 THR QG2 124 TYR HN 3.43 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,1928, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1=1920,1921,1922,
&end
#
# 123 THR QG2 140 LYS HA 4.09 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1,2174, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=1920,1921,1922,
&end
#
# 123 THR QG2 140 LYS HB3 3.04 (#SUP 0.57 #QF 0.44)
&rst
ixpk= 0, nxpk= 0, iat= -1,2177, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr1=1920,1921,1922,
&end
#
# 123 THR QG2 140 LYS QD 3.47 (#SUP 0.57 #QF 0.44)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=1920,1921,1922,
igr2=2182,2183,
&end
#
# 123 THR QG2 140 LYS QE 4.65 (#SUP 0.66 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1=1920,1921,1922,
igr2=2185,2186,
&end
#
# 123 THR QG2 141 VAL HA 4.23 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat= -1,2196, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=1920,1921,1922,
&end
#
# 123 THR QG2 141 VAL HN 3.83 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,2194, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1920,1921,1922,
&end
#
# 123 THR QG2 142 THR HA 3.76 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= -1,2212, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1=1920,1921,1922,
&end
#
# 123 THR QG2 142 THR HN 4.57 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,2210, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1920,1921,1922,
&end
#
# 123 THR QG2 143 PHE HN 4.95 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= -1,2224, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1920,1921,1922,
&end
#
# 123 THR QG2 143 PHE QD 5.14 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1920,1921,1922,
igr2=2232,2240,
&end
#
# 123 THR QG2 143 PHE QE 5.50 (#SUP 0.99 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1920,1921,1922,
igr2=2234,2238,
&end
#
# 124 TYR HA 124 TYR QD 3.85 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1930, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=1936,1945,
&end
#
# 124 TYR HA 125 GLU HN 3.37 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1930,1949, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 124 TYR HB2 125 GLU HN 4.39 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1932,1949, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 124 TYR HB2 126 PHE QE 3.92 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1932, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1974,1978,
&end
#
# 124 TYR HB2 141 VAL HN 5.09 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1932,2194, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 124 TYR HB2 141 VAL QG2 5.50 (#SUP 0.97 #QF 0.53)
&rst
ixpk= 0, nxpk= 0, iat=1932, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2204,2205,2206,
&end
#
# 124 TYR HB2 143 PHE QE 3.96 (#SUP 0.70 #QF 0.36)
&rst
ixpk= 0, nxpk= 0, iat=1932, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=2234,2238,
&end
#
# 124 TYR HB3 125 GLU HN 4.39 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1933,1949, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 124 TYR HB3 126 PHE QE 3.92 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1933, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1974,1978,
&end
#
# 124 TYR HB3 141 VAL HN 5.09 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1933,2194, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 124 TYR HB3 141 VAL QG2 5.50 (#SUP 0.97 #QF 0.43)
&rst
ixpk= 0, nxpk= 0, iat=1933, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2204,2205,2206,
&end
#
# 124 TYR HB3 143 PHE QE 3.96 (#SUP 0.99 #QF 0.23)
&rst
ixpk= 0, nxpk= 0, iat=1933, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=2234,2238,
&end
#
# 124 TYR HN 124 TYR HB2 4.16 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1928,1932, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 124 TYR HN 124 TYR HB3 4.16 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1928,1933, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 124 TYR HN 124 TYR QB 3.57
&rst
ixpk= 1, nxpk= 0, iat=1928, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1932,1933,
&end
#
# 124 TYR HN 124 TYR QD 4.28 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1928, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1936,1945,
&end
#
# 124 TYR HN 125 GLU HN 4.93 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1928,1949, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 124 TYR HN 126 PHE QD 5.36 (#SUP 0.98 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat=1928, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=1972,1980,
&end
#
# 124 TYR HN 126 PHE QE 5.22 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat=1928, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=1974,1978,
&end
#
# 124 TYR HN 141 VAL HN 3.98 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat=1928,2194, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 124 TYR HN 141 VAL QG2 5.18 (#SUP 0.75 #QF 0.51)
&rst
ixpk= 0, nxpk= 0, iat=1928, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2=2204,2205,2206,
&end
#
# 124 TYR HN 142 THR HA 3.97 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat=1928,2212, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 124 TYR HN 142 THR HN 5.20 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1928,2210, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 124 TYR HN 143 PHE QD 4.41 (#SUP 0.89 #QF 0.38)
&rst
ixpk= 0, nxpk= 0, iat=1928, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=2232,2240,
&end
#
# 124 TYR HN 143 PHE QE 4.62 (#SUP 0.89 #QF 0.38)
&rst
ixpk= 0, nxpk= 0, iat=1928, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=2234,2238,
&end
#
# 124 TYR QB 125 GLU HN 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1949, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=1932,1933,
&end
#
# 124 TYR QB 126 PHE HZ 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1976, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1932,1933,
&end
#
# 124 TYR QB 126 PHE QD 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1=1932,1933,
igr2=1972,1980,
&end
#
# 124 TYR QB 143 PHE HZ 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1,2236, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1932,1933,
&end
#
# 124 TYR QB 143 PHE QE 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1=1932,1933,
igr2=2234,2238,
&end
#
# 124 TYR QD 125 GLU HN 4.32 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1,1949, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1936,1945,
&end
#
# 124 TYR QD 126 PHE QE 4.64 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1=1936,1945,
igr2=1974,1978,
&end
#
# 124 TYR QD 143 PHE HZ 5.50 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,2236, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1936,1945,
&end
#
# 124 TYR QD 143 PHE QD 3.27 (#SUP 0.87 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1=1936,1945,
igr2=2232,2240,
&end
#
# 124 TYR QD 143 PHE QE 3.70 (#SUP 0.87 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=1936,1945,
igr2=2234,2238,
&end
#
# 124 TYR QE 143 PHE QD 4.83 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=1938,1943,
igr2=2232,2240,
&end
#
# 125 GLU HA 126 PHE HN 3.42 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1951,1964, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 125 GLU HA 140 LYS HA 3.54 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1951,2174, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 125 GLU HA 140 LYS HG2 4.31 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat=1951,2179, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 125 GLU HA 140 LYS HG3 4.40 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1951,2180, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 125 GLU HA 141 VAL HN 4.29 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1951,2194, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 125 GLU HB2 126 PHE HN 5.50 (#SUP 0.98 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1953,1964, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 125 GLU HB3 126 PHE HN 4.92 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1954,1964, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 125 GLU HG2 139 ARG HN 5.01 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat=1956,2148, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 125 GLU HG2 140 LYS HA 5.50 (#SUP 0.70 #QF 0.36)
&rst
ixpk= 0, nxpk= 0, iat=1956,2174, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 125 GLU HG3 139 ARG HN 5.01 (#SUP 0.46 #QF 0.46)
&rst
ixpk= 0, nxpk= 0, iat=1957,2148, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 125 GLU HG3 140 LYS HA 5.50 (#SUP 0.70 #QF 0.36)
&rst
ixpk= 0, nxpk= 0, iat=1957,2174, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 125 GLU HN 125 GLU HB2 3.69 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1949,1953, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 125 GLU HN 125 GLU HB3 3.91 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1949,1954, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 125 GLU HN 125 GLU QG 4.42
&rst
ixpk= 1, nxpk= 0, iat=1949, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=1956,1957,
&end
#
# 125 GLU HN 126 PHE HN 5.02 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1949,1964, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 125 GLU QG 126 PHE HN 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1964, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1956,1957,
&end
#
# 125 GLU QG 139 ARG HN 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1,2148, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1=1956,1957,
&end
#
# 126 PHE HA 126 PHE QD 4.00 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1966, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1972,1980,
&end
#
# 126 PHE HA 127 THR HB 4.93 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1966,1988, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 126 PHE HA 127 THR HN 3.10 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1966,1984, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 126 PHE HA 128 VAL QG2 4.58 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1966, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=2008,2009,2010,
&end
#
# 126 PHE HA 139 ARG HB2 5.24 (#SUP 0.53 #QF 0.53)
&rst
ixpk= 0, nxpk= 0, iat=1966,2152, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 126 PHE HB2 127 THR HN 4.97 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1968,1984, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 126 PHE HB2 128 VAL QG2 4.16 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1968, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2=2008,2009,2010,
&end
#
# 126 PHE HB2 139 ARG HB2 4.55 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat=1968,2152, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 126 PHE HB2 139 ARG HB3 4.74 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1968,2153, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 126 PHE HB2 139 ARG HN 4.46 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1968,2148, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 126 PHE HB3 127 THR HN 3.96 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1969,1984, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 126 PHE HB3 128 VAL QG2 3.56 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1969, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=2008,2009,2010,
&end
#
# 126 PHE HB3 139 ARG HB2 4.66 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1969,2152, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 126 PHE HB3 139 ARG HN 4.83 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1969,2148, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 126 PHE HN 126 PHE HB2 3.90 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1964,1968, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 126 PHE HN 126 PHE HB3 4.18 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1964,1969, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 126 PHE HN 126 PHE QD 3.62 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1964, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=1972,1980,
&end
#
# 126 PHE HN 127 THR HN 4.85 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1964,1984, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 126 PHE HN 139 ARG HB2 4.44 (#SUP 0.97 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat=1964,2152, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 126 PHE HN 139 ARG HB3 5.39 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1964,2153, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 126 PHE HN 139 ARG HN 4.07 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1964,2148, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 126 PHE HN 140 LYS HA 4.13 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1964,2174, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 126 PHE HN 141 VAL HN 4.94 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat=1964,2194, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 126 PHE HZ 141 VAL HB 5.16 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat=1976,2198, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 126 PHE HZ 141 VAL QG1 5.15 (#SUP 0.94 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat=1976, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2=2200,2201,2202,
&end
#
# 126 PHE HZ 141 VAL QG2 4.59 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1976, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=2204,2205,2206,
&end
#
# 126 PHE HZ 143 PHE HZ 3.93 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=1976,2236, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 126 PHE HZ 158 VAL QG2 5.50 (#SUP 0.94 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat=1976, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2500,2501,2502,
&end
#
# 126 PHE QD 126 PHE HZ 4.02 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,1976, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1=1972,1980,
&end
#
# 126 PHE QD 127 THR HN 4.49 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,1984, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1972,1980,
&end
#
# 126 PHE QD 128 VAL QG2 3.98 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1972,1980,
igr2=2008,2009,2010,
&end
#
# 126 PHE QD 139 ARG HB2 4.62 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1,2152, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1972,1980,
&end
#
# 126 PHE QD 139 ARG HN 5.25 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1,2148, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1=1972,1980,
&end
#
# 126 PHE QD 140 LYS HA 4.60 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1,2174, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1972,1980,
&end
#
# 126 PHE QD 141 VAL HB 3.83 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,2198, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1972,1980,
&end
#
# 126 PHE QD 141 VAL HN 4.39 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,2194, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1=1972,1980,
&end
#
# 126 PHE QD 141 VAL QG1 4.18 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1972,1980,
igr2=2200,2201,2202,
&end
#
# 126 PHE QD 141 VAL QG2 3.26 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1=1972,1980,
igr2=2204,2205,2206,
&end
#
# 126 PHE QE 141 VAL HB 3.28 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= -1,2198, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1=1974,1978,
&end
#
# 126 PHE QE 141 VAL HN 4.46 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat= -1,2194, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=1974,1978,
&end
#
# 126 PHE QE 141 VAL QG1 3.73 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=1974,1978,
igr2=2200,2201,2202,
&end
#
# 126 PHE QE 141 VAL QG2 3.38 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1974,1978,
igr2=2204,2205,2206,
&end
#
# 126 PHE QE 158 VAL QG1 5.50 (#SUP 1.00 #QF 0.93)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1974,1978,
igr2=2496,2497,2498,
&end
#
# 127 THR HA 128 VAL HN 3.27 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1986,1998, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 127 THR HA 138 LYS HA 4.10 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat=1986,2128, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 127 THR HA 139 ARG HN 4.24 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat=1986,2148, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 127 THR HB 128 VAL HN 4.61 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1988,1998, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 127 THR HB 129 PRO HD2 5.50 (#SUP 0.90 #QF 0.47)
&rst
ixpk= 0, nxpk= 0, iat=1988,2015, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 127 THR HB 136 SER QB 5.34
&rst
ixpk= 0, nxpk= 0, iat=1988, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=2109,2110,
&end
#
# 127 THR HN 127 THR HB 3.37 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1984,1988, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 127 THR HN 127 THR QG2 3.89 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat=1984, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1990,1991,1992,
&end
#
# 127 THR HN 128 VAL HN 4.79 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1984,1998, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 127 THR HN 128 VAL QG2 4.54 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1984, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2=2008,2009,2010,
&end
#
# 127 THR QG2 128 VAL HN 3.59 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1998, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1=1990,1991,1992,
&end
#
# 127 THR QG2 128 VAL QG2 4.67 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1990,1991,1992,
igr2=2008,2009,2010,
&end
#
# 127 THR QG2 136 SER HA 4.07 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1,2107, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1990,1991,1992,
&end
#
# 127 THR QG2 136 SER HB2 3.25 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,2109, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr1=1990,1991,1992,
&end
#
# 127 THR QG2 136 SER HB3 3.25 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,2110, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr1=1990,1991,1992,
&end
#
# 127 THR QG2 136 SER HN 4.78 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,2105, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=1990,1991,1992,
&end
#
# 127 THR QG2 137 ALA HN 4.38 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1,2116, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1990,1991,1992,
&end
#
# 127 THR QG2 138 LYS HA 4.42 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,2128, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1990,1991,1992,
&end
#
# 127 THR QG2 138 LYS HD2 3.90 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1,2136, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=1990,1991,1992,
&end
#
# 127 THR QG2 138 LYS HD3 3.90 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1,2137, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=1990,1991,1992,
&end
#
# 127 THR QG2 138 LYS QE 3.79 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1=1990,1991,1992,
igr2=2139,2140,
&end
#
# 127 THR QG2 138 LYS QG 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1=1990,1991,1992,
igr2=2133,2134,
&end
#
# 128 VAL HA 128 VAL QG1 3.36 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=2000, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=2004,2005,2006,
&end
#
# 128 VAL HA 128 VAL QG2 3.76 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2000, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=2008,2009,2010,
&end
#
# 128 VAL HB 129 PRO HD2 4.74 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat=2002,2015, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 128 VAL HB 137 ALA HN 4.09 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2002,2116, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 128 VAL HB 137 ALA QB 3.56 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=2002, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=2120,2121,2122,
&end
#
# 128 VAL HN 128 VAL HB 3.74 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1998,2002, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 128 VAL HN 128 VAL QG1 4.37 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1998, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=2004,2005,2006,
&end
#
# 128 VAL HN 128 VAL QG2 3.65 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1998, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=2008,2009,2010,
&end
#
# 128 VAL HN 129 PRO HD2 4.95 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1998,2015, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 128 VAL HN 136 SER HA 4.97 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1998,2107, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 128 VAL HN 136 SER QB 4.28
&rst
ixpk= 0, nxpk= 0, iat=1998, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=2109,2110,
&end
#
# 128 VAL HN 137 ALA HN 3.99 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1998,2116, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 128 VAL HN 137 ALA QB 4.07 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1998, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=2120,2121,2122,
&end
#
# 128 VAL HN 138 LYS HA 4.38 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1998,2128, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 128 VAL HN 139 ARG HN 5.00 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1998,2148, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 128 VAL QG1 129 PRO HD2 3.85 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,2015, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=2004,2005,2006,
&end
#
# 128 VAL QG1 129 PRO HD3 4.07 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,2016, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=2004,2005,2006,
&end
#
# 128 VAL QG1 129 PRO HG2 4.62 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1,2018, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1=2004,2005,2006,
&end
#
# 128 VAL QG1 137 ALA HN 5.50 (#SUP 0.99 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= -1,2116, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2004,2005,2006,
&end
#
# 128 VAL QG1 137 ALA QB 4.40 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=2004,2005,2006,
igr2=2120,2121,2122,
&end
#
# 128 VAL QG2 129 PRO HD2 4.20 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,2015, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=2008,2009,2010,
&end
#
# 128 VAL QG2 129 PRO HD3 4.78 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,2016, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=2008,2009,2010,
&end
#
# 128 VAL QG2 137 ALA HN 4.65 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,2116, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=2008,2009,2010,
&end
#
# 128 VAL QG2 137 ALA QB 3.67 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1=2008,2009,2010,
igr2=2120,2121,2122,
&end
#
# 128 VAL QG2 138 LYS HA 4.88 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1,2128, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=2008,2009,2010,
&end
#
# 128 VAL QG2 139 ARG HB2 3.93 (#SUP 0.61 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat= -1,2152, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2008,2009,2010,
&end
#
# 128 VAL QG2 139 ARG HB3 4.78 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,2153, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=2008,2009,2010,
&end
#
# 128 VAL QG2 139 ARG HG2 4.45 (#SUP 0.99 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,2155, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=2008,2009,2010,
&end
#
# 128 VAL QG2 139 ARG HG3 4.45 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,2156, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=2008,2009,2010,
&end
#
# 128 VAL QG2 139 ARG HN 4.43 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,2148, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=2008,2009,2010,
&end
#
# 128 VAL QG2 139 ARG QG 3.88
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=2008,2009,2010,
igr2=2155,2156,
&end
#
# 129 PRO HB2 130 THR HN 4.21 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat=2021,2028, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 129 PRO HB3 130 THR HN 4.21 (#SUP 0.72 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat=2022,2028, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 129 PRO HG2 130 THR HN 5.04 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=2018,2028, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 129 PRO QB 130 THR HN 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1,2028, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=2021,2022,
&end
#
# 130 THR HA 130 THR QG2 3.29 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat=2030, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=2034,2035,2036,
&end
#
# 130 THR HA 131 LEU HG 5.33 (#SUP 0.58 #QF 0.58)
&rst
ixpk= 0, nxpk= 0, iat=2030,2049, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 130 THR HA 131 LEU HN 3.42 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat=2030,2042, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 130 THR HB 131 LEU HN 3.56 (#SUP 1.00 #QF 0.34)
&rst
ixpk= 1, nxpk= 0, iat=2032,2042, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 130 THR HB 132 ASP HN 3.29 (#SUP 0.95 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=2032,2061, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 130 THR HB 133 GLY HN 3.84 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=2032,2073, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 130 THR HB 134 SER HN 4.29 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat=2032,2080, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 130 THR HG1 134 SER HN 3.21 (#SUP 0.54 #QF 0.54)
&rst
ixpk= 0, nxpk= 0, iat=2038,2080, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 130 THR HN 130 THR HB 3.93 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2028,2032, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 130 THR HN 130 THR HG1 3.82 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=2028,2038, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 130 THR HN 130 THR QG2 3.22 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2028, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=2034,2035,2036,
&end
#
# 130 THR HN 131 LEU HN 4.89 (#SUP 0.56 #QF 0.56)
&rst
ixpk= 0, nxpk= 0, iat=2028,2042, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 130 THR HN 133 GLY HN 5.50 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat=2028,2073, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 130 THR HN 136 SER HA 3.74 (#SUP 0.69 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat=2028,2107, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 130 THR HN 136 SER QB 5.22
&rst
ixpk= 0, nxpk= 0, iat=2028, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=2109,2110,
&end
#
# 130 THR QG2 130 THR HG1 3.16 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1,2038, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1=2034,2035,2036,
&end
#
# 130 THR QG2 131 LEU HN 4.24 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,2042, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=2034,2035,2036,
&end
#
# 130 THR QG2 132 ASP HN 4.32 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,2061, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=2034,2035,2036,
&end
#
# 130 THR QG2 133 GLY HN 4.49 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,2073, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=2034,2035,2036,
&end
#
# 130 THR QG2 134 SER HN 4.32 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,2080, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=2034,2035,2036,
&end
#
# 130 THR QG2 136 SER HA 3.46 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= -1,2107, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1=2034,2035,2036,
&end
#
# 130 THR QG2 136 SER HN 4.70 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1,2105, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=2034,2035,2036,
&end
#
# 130 THR QG2 136 SER QB 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr1=2034,2035,2036,
igr2=2109,2110,
&end
#
# 130 THR QG2 137 ALA HN 3.70 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= -1,2116, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=2034,2035,2036,
&end
#
# 131 LEU HA 131 LEU HG 4.03 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=2044,2049, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 131 LEU HA 131 LEU QB 2.98 (#SUP 0.94 #QF 0.25)
&rst
ixpk= 0, nxpk= 0, iat=2044, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2=2046,2047,
&end
#
# 131 LEU HA 131 LEU QQD 2.73
&rst
ixpk= 0, nxpk= 0, iat=2044, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2=2051,2052,2053,2055,2056,2057,
&end
#
# 131 LEU HN 131 LEU HG 4.03 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2042,2049, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 131 LEU HN 131 LEU QB 3.77 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=2042, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=2046,2047,
&end
#
# 131 LEU HN 131 LEU QD1 3.90 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat=2042, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=2051,2052,2053,
&end
#
# 131 LEU HN 131 LEU QD2 3.90 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat=2042, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=2055,2056,2057,
&end
#
# 131 LEU HN 131 LEU QQD 3.39
&rst
ixpk= 0, nxpk= 0, iat=2042, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2=2051,2052,2053,2055,2056,2057,
&end
#
# 131 LEU HN 132 ASP HN 3.53 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2042,2061, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 131 LEU HN 133 GLY HN 4.90 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2042,2073, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 131 LEU QB 131 LEU QD1 3.30 (#SUP 0.99 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1=2046,2047,
igr2=2051,2052,2053,
&end
#
# 131 LEU QB 131 LEU QD2 3.30 (#SUP 0.72 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1=2046,2047,
igr2=2055,2056,2057,
&end
#
# 131 LEU QB 131 LEU QQD 2.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr1=2046,2047,
igr2=2051,2052,2053,2055,2056,2057,
&end
#
# 131 LEU QB 132 ASP HN 4.30 (#SUP 0.92 #QF 0.30)
&rst
ixpk= 0, nxpk= 0, iat= -1,2061, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=2046,2047,
&end
#
# 131 LEU QB 132 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=2046,2047,
igr2=2065,2066,
&end
#
# 131 LEU QQD 132 ASP HN 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,2061, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1=2051,2052,2053,2055,2056,2057,
&end
#
# 132 ASP HB2 133 GLY HN 4.51 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat=2065,2073, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 132 ASP HB3 133 GLY HN 4.51 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=2066,2073, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 132 ASP HN 132 ASP HB2 3.88 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2061,2065, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 132 ASP HN 132 ASP HB3 3.88 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=2061,2066, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 132 ASP HN 132 ASP QB 3.39
&rst
ixpk= 0, nxpk= 0, iat=2061, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2=2065,2066,
&end
#
# 132 ASP HN 133 GLY HN 3.19 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat=2061,2073, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 132 ASP HN 133 GLY QA 4.79
&rst
ixpk= 0, nxpk= 0, iat=2061, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=2075,2076,
&end
#
# 133 GLY HN 134 SER HN 3.38 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2073,2080, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 134 SER HA 135 PRO HD2 3.63 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2082,2092, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 134 SER HA 135 PRO HD3 3.63 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2082,2093, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 134 SER HA 135 PRO QD 3.17
&rst
ixpk= 1, nxpk= 0, iat=2082, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2=2092,2093,
&end
#
# 134 SER HA 135 PRO QG 4.59
&rst
ixpk= 1, nxpk= 0, iat=2082, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=2095,2096,
&end
#
# 134 SER HN 134 SER HB2 3.57 (#SUP 0.58 #QF 0.58)
&rst
ixpk= 0, nxpk= 0, iat=2080,2084, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 134 SER HN 134 SER HB3 3.57 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=2080,2085, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 134 SER QB 135 PRO QD 3.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1=2084,2085,
igr2=2092,2093,
&end
#
# 135 PRO HA 136 SER HN 2.75 (#SUP 0.50 #QF 0.50)
&rst
ixpk= 0, nxpk= 0, iat=2101,2105, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25, &end
#
# 135 PRO HA 136 SER QB 4.81
&rst
ixpk= 0, nxpk= 0, iat=2101, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2109,2110,
&end
#
# 135 PRO HB2 136 SER HN 3.93 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2098,2105, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 135 PRO HB3 136 SER HN 3.93 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2099,2105, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 135 PRO QB 136 SER HN 3.39
&rst
ixpk= 1, nxpk= 0, iat= -1,2105, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr1=2098,2099,
&end
#
# 135 PRO QG 136 SER HN 4.65
&rst
ixpk= 1, nxpk= 0, iat= -1,2105, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=2095,2096,
&end
#
# 136 SER HA 137 ALA HN 3.04 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2107,2116, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 136 SER HA 137 ALA QB 4.03 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=2107, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=2120,2121,2122,
&end
#
# 136 SER HB2 137 ALA HN 4.08 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat=2109,2116, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 136 SER HB3 137 ALA HN 4.08 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2110,2116, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 136 SER HN 136 SER HA 2.78 (#SUP 0.58 #QF 0.58)
&rst
ixpk= 0, nxpk= 0, iat=2105,2107, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28, &end
#
# 136 SER HN 136 SER HB2 3.61 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=2105,2109, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 136 SER HN 136 SER HB3 3.61 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2105,2110, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 136 SER HN 136 SER QB 3.03
&rst
ixpk= 0, nxpk= 0, iat=2105, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr2=2109,2110,
&end
#
# 136 SER HN 137 ALA HN 4.66 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2105,2116, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 136 SER QB 137 ALA HN 3.32
&rst
ixpk= 1, nxpk= 0, iat= -1,2116, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr1=2109,2110,
&end
#
# 136 SER QB 137 ALA QB 4.59
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1=2109,2110,
igr2=2120,2121,2122,
&end
#
# 137 ALA HA 138 LYS HA 4.83 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=2118,2128, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 137 ALA HA 138 LYS HB2 4.67 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat=2118,2130, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 137 ALA HA 138 LYS HN 2.78 (#SUP 0.90 #QF 0.34)
&rst
ixpk= 0, nxpk= 0, iat=2118,2126, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28, &end
#
# 137 ALA HA 138 LYS QE 5.29 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat=2118, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=2139,2140,
&end
#
# 137 ALA HN 137 ALA QB 3.10 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2116, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2=2120,2121,2122,
&end
#
# 137 ALA QB 138 LYS HN 3.29 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= -1,2126, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1=2120,2121,2122,
&end
#
# 138 LYS HA 138 LYS HD2 4.07 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2128,2136, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 138 LYS HA 138 LYS HD3 4.07 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2128,2137, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 138 LYS HA 138 LYS HG2 3.85 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2128,2133, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 138 LYS HA 138 LYS HG3 3.85 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=2128,2134, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 138 LYS HA 138 LYS QD 3.37
&rst
ixpk= 0, nxpk= 0, iat=2128, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=2136,2137,
&end
#
# 138 LYS HA 138 LYS QE 4.45 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2128, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2=2139,2140,
&end
#
# 138 LYS HA 138 LYS QG 3.36
&rst
ixpk= 1, nxpk= 0, iat=2128, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=2133,2134,
&end
#
# 138 LYS HA 139 ARG HN 3.09 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2128,2148, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 138 LYS HB2 138 LYS QD 3.64
&rst
ixpk= 0, nxpk= 0, iat=2130, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2=2136,2137,
&end
#
# 138 LYS HB2 138 LYS QG 2.49
&rst
ixpk= 0, nxpk= 0, iat=2130, -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
igr2=2133,2134,
&end
#
# 138 LYS HB2 139 ARG HN 4.70 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=2130,2148, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 138 LYS HB3 138 LYS QE 4.67 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=2131, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=2139,2140,
&end
#
# 138 LYS HB3 139 ARG HN 4.03 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat=2131,2148, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 138 LYS HN 138 LYS HB2 3.25 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=2126,2130, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 138 LYS HN 138 LYS HB3 3.95 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=2126,2131, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 138 LYS HN 138 LYS HD2 4.43 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat=2126,2136, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 138 LYS HN 138 LYS HD3 4.43 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat=2126,2137, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 138 LYS HN 138 LYS HG2 4.98 (#SUP 0.99 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=2126,2133, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 138 LYS HN 138 LYS HG3 4.98 (#SUP 0.85 #QF 0.53)
&rst
ixpk= 0, nxpk= 0, iat=2126,2134, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 138 LYS HN 138 LYS QE 4.46 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2126, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=2139,2140,
&end
#
# 138 LYS HN 138 LYS QG 4.35
&rst
ixpk= 0, nxpk= 0, iat=2126, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=2133,2134,
&end
#
# 138 LYS HN 139 ARG HN 4.78 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=2126,2148, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 138 LYS QD 139 ARG HN 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1,2148, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=2136,2137,
&end
#
# 138 LYS QG 138 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=2133,2134,
igr2=2139,2140,
&end
#
# 138 LYS QG 139 ARG HN 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1,2148, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=2133,2134,
&end
#
# 139 ARG HA 139 ARG HD2 3.74 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2150,2158, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 139 ARG HA 139 ARG HD3 3.74 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2150,2159, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 139 ARG HA 140 LYS HN 3.08 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=2150,2172, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 139 ARG HA 140 LYS QE 5.28 (#SUP 0.56 #QF 0.56)
&rst
ixpk= 0, nxpk= 0, iat=2150, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=2185,2186,
&end
#
# 139 ARG HB3 139 ARG HD2 4.03 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=2153,2158, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 139 ARG HB3 139 ARG HD3 4.03 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2153,2159, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 139 ARG HB3 139 ARG QD 3.50
&rst
ixpk= 1, nxpk= 0, iat=2153, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2158,2159,
&end
#
# 139 ARG HB3 140 LYS HN 4.10 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=2153,2172, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 139 ARG HN 139 ARG HB2 3.40 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=2148,2152, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 139 ARG HN 139 ARG HB3 4.04 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2148,2153, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 139 ARG HN 139 ARG HG2 4.45 (#SUP 0.93 #QF 0.27)
&rst
ixpk= 0, nxpk= 0, iat=2148,2155, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 139 ARG HN 139 ARG HG3 4.45 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=2148,2156, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 139 ARG HN 139 ARG QD 4.52
&rst
ixpk= 0, nxpk= 0, iat=2148, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=2158,2159,
&end
#
# 139 ARG HN 139 ARG QG 3.70
&rst
ixpk= 0, nxpk= 0, iat=2148, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=2155,2156,
&end
#
# 139 ARG QD 140 LYS HN 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1,2172, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=2158,2159,
&end
#
# 140 LYS HA 140 LYS HG2 3.79 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2174,2179, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 140 LYS HA 140 LYS HG3 3.89 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2174,2180, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 140 LYS HA 140 LYS QE 4.53 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=2174, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=2185,2186,
&end
#
# 140 LYS HA 141 VAL HN 3.21 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2174,2194, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 140 LYS HA 141 VAL QG2 4.23 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2174, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=2204,2205,2206,
&end
#
# 140 LYS HB2 140 LYS QE 4.35 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2176, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=2185,2186,
&end
#
# 140 LYS HB2 141 VAL HN 4.65 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2176,2194, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 140 LYS HB3 140 LYS QE 4.32 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2177, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=2185,2186,
&end
#
# 140 LYS HB3 141 VAL HN 3.85 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2177,2194, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 140 LYS HG2 140 LYS QE 3.76 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=2179, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=2185,2186,
&end
#
# 140 LYS HG2 141 VAL HN 4.44 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2179,2194, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 140 LYS HG3 140 LYS QE 3.90 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2180, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=2185,2186,
&end
#
# 140 LYS HG3 141 VAL HN 5.00 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2180,2194, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 140 LYS HN 140 LYS HB2 3.30 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=2172,2176, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 140 LYS HN 140 LYS HB3 3.99 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2172,2177, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 140 LYS HN 140 LYS HG2 4.29 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat=2172,2179, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 140 LYS HN 140 LYS HG3 3.28 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=2172,2180, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 140 LYS HN 140 LYS QE 4.58 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=2172, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=2185,2186,
&end
#
# 140 LYS HN 141 VAL HN 4.39 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2172,2194, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 140 LYS HN 141 VAL QG2 4.76 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat=2172, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=2204,2205,2206,
&end
#
# 141 VAL HA 141 VAL QG1 3.24 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2196, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=2200,2201,2202,
&end
#
# 141 VAL HA 141 VAL QG2 3.35 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2196, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=2204,2205,2206,
&end
#
# 141 VAL HA 142 THR HN 3.07 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2196,2210, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 141 VAL HA 143 PHE HZ 5.50 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=2196,2236, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 141 VAL HA 157 ALA QB 3.63 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat=2196, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2=2484,2485,2486,
&end
#
# 141 VAL HB 142 THR HN 4.83 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=2198,2210, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 141 VAL HB 143 PHE HZ 3.88 (#SUP 0.92 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat=2198,2236, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 141 VAL HB 143 PHE QE 4.15 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=2198, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=2234,2238,
&end
#
# 141 VAL HN 141 VAL HB 3.86 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2194,2198, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 141 VAL HN 141 VAL QG1 4.30 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2194, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=2200,2201,2202,
&end
#
# 141 VAL HN 141 VAL QG2 3.71 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2194, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=2204,2205,2206,
&end
#
# 141 VAL HN 142 THR HN 4.93 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2194,2210, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 141 VAL QG1 142 THR HA 4.91 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,2212, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=2200,2201,2202,
&end
#
# 141 VAL QG1 142 THR HB 5.24 (#SUP 0.97 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat= -1,2214, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1=2200,2201,2202,
&end
#
# 141 VAL QG1 142 THR HN 3.57 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,2210, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1=2200,2201,2202,
&end
#
# 141 VAL QG1 143 PHE HA 4.97 (#SUP 0.95 #QF 0.36)
&rst
ixpk= 0, nxpk= 0, iat= -1,2226, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=2200,2201,2202,
&end
#
# 141 VAL QG1 143 PHE HZ 3.40 (#SUP 0.96 #QF 0.54)
&rst
ixpk= 0, nxpk= 0, iat= -1,2236, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1=2200,2201,2202,
&end
#
# 141 VAL QG1 143 PHE QD 4.30 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=2200,2201,2202,
igr2=2232,2240,
&end
#
# 141 VAL QG1 143 PHE QE 3.59 (#SUP 0.96 #QF 0.54)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=2200,2201,2202,
igr2=2234,2238,
&end
#
# 141 VAL QG1 152 VAL QG1 3.27 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2200,2201,2202,
igr2=2407,2408,2409,
&end
#
# 141 VAL QG1 152 VAL QG2 3.27 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2200,2201,2202,
igr2=2411,2412,2413,
&end
#
# 141 VAL QG1 152 VAL QQG 2.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=2200,2201,2202,
igr2=2407,2408,2409,2411,2412,2413,
&end
#
# 141 VAL QG1 153 ASN HN 4.87 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1,2417, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1=2200,2201,2202,
&end
#
# 141 VAL QG1 154 GLN HN 4.97 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,2431, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=2200,2201,2202,
&end
#
# 141 VAL QG1 157 ALA HA 4.70 (#SUP 0.85 #QF 0.43)
&rst
ixpk= 0, nxpk= 0, iat= -1,2482, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=2200,2201,2202,
&end
#
# 141 VAL QG1 157 ALA QB 3.01 (#SUP 0.93 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1=2200,2201,2202,
igr2=2484,2485,2486,
&end
#
# 141 VAL QG2 142 THR HN 4.18 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,2210, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1=2204,2205,2206,
&end
#
# 141 VAL QG2 143 PHE HZ 4.31 (#SUP 0.97 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= -1,2236, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=2204,2205,2206,
&end
#
# 141 VAL QG2 157 ALA HA 4.46 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= -1,2482, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1=2204,2205,2206,
&end
#
# 141 VAL QG2 157 ALA HN 5.50 (#SUP 0.73 #QF 0.30)
&rst
ixpk= 0, nxpk= 0, iat= -1,2480, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2204,2205,2206,
&end
#
# 141 VAL QG2 157 ALA QB 3.22 (#SUP 0.95 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=2204,2205,2206,
igr2=2484,2485,2486,
&end
#
# 141 VAL QG2 158 VAL HA 4.45 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,2492, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=2204,2205,2206,
&end
#
# 141 VAL QG2 158 VAL QG1 4.28 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2204,2205,2206,
igr2=2496,2497,2498,
&end
#
# 141 VAL QG2 158 VAL QG2 3.01 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1=2204,2205,2206,
igr2=2500,2501,2502,
&end
#
# 142 THR HA 142 THR QG2 3.36 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=2212, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=2216,2217,2218,
&end
#
# 142 THR HA 143 PHE HB2 4.74 (#SUP 0.66 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat=2212,2228, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 142 THR HA 143 PHE HN 3.35 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2212,2224, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 142 THR HA 143 PHE QD 4.46 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2212, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=2232,2240,
&end
#
# 142 THR HA 153 ASN HD22 5.50 (#SUP 0.99 #QF 0.29)
&rst
ixpk= 0, nxpk= 0, iat=2212,2427, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 142 THR HB 143 PHE HA 5.50 (#SUP 0.98 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat=2214,2226, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 142 THR HB 143 PHE HN 4.62 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=2214,2224, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 142 THR HB 153 ASN HB2 4.94 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2214,2421, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 142 THR HB 153 ASN HB3 4.73 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=2214,2422, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 142 THR HB 153 ASN HD21 4.37 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=2214,2426, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 142 THR HB 153 ASN HD22 4.04 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2214,2427, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 142 THR HN 142 THR HB 3.44 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2210,2214, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 142 THR HN 142 THR QG2 3.94 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat=2210, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=2216,2217,2218,
&end
#
# 142 THR HN 143 PHE HN 5.11 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=2210,2224, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 142 THR HN 143 PHE QD 5.50 (#SUP 0.99 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=2210, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2232,2240,
&end
#
# 142 THR HN 143 PHE QE 5.50 (#SUP 0.99 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=2210, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2234,2238,
&end
#
# 142 THR HN 157 ALA QB 4.27 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2210, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=2484,2485,2486,
&end
#
# 142 THR QG2 143 PHE HN 3.46 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1,2224, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1=2216,2217,2218,
&end
#
# 142 THR QG2 143 PHE QD 4.86 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1=2216,2217,2218,
igr2=2232,2240,
&end
#
# 142 THR QG2 144 VAL HA 5.09 (#SUP 0.85 #QF 0.27)
&rst
ixpk= 0, nxpk= 0, iat= -1,2246, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=2216,2217,2218,
&end
#
# 142 THR QG2 153 ASN HB2 4.67 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,2421, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2216,2217,2218,
&end
#
# 142 THR QG2 153 ASN HB3 3.88 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1,2422, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=2216,2217,2218,
&end
#
# 142 THR QG2 153 ASN HD21 3.80 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,2426, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=2216,2217,2218,
&end
#
# 142 THR QG2 153 ASN HD22 3.73 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,2427, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=2216,2217,2218,
&end
#
# 142 THR QG2 153 ASN HN 4.57 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat= -1,2417, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=2216,2217,2218,
&end
#
# 143 PHE HA 143 PHE QD 3.65 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2226, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=2232,2240,
&end
#
# 143 PHE HA 144 VAL HB 5.19 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=2226,2248, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 143 PHE HA 144 VAL HN 3.25 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2226,2244, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 143 PHE HA 144 VAL QQG 3.99
&rst
ixpk= 1, nxpk= 0, iat=2226, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=2250,2251,2252,2254,2255,2256,
&end
#
# 143 PHE HA 150 TRP HE3 4.67 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=2226,2374, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 143 PHE HA 152 VAL HA 3.66 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2226,2403, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 143 PHE HA 152 VAL QG1 4.41 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=2226, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=2407,2408,2409,
&end
#
# 143 PHE HA 152 VAL QG2 4.41 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=2226, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=2411,2412,2413,
&end
#
# 143 PHE HA 153 ASN HN 4.10 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2226,2417, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 143 PHE HB2 144 VAL HN 4.45 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=2228,2244, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 143 PHE HB3 144 VAL HN 4.08 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=2229,2244, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 143 PHE HB3 150 TRP HA 4.60 (#SUP 0.59 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat=2229,2357, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 143 PHE HB3 150 TRP HE3 3.73 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat=2229,2374, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 143 PHE HB3 151 LYS HN 4.13 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat=2229,2379, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 143 PHE HN 143 PHE HB2 4.06 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2224,2228, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 143 PHE HN 143 PHE QD 3.63 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2224, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=2232,2240,
&end
#
# 143 PHE HZ 152 VAL QQG 4.93
&rst
ixpk= 1, nxpk= 0, iat=2236, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr2=2407,2408,2409,2411,2412,2413,
&end
#
# 143 PHE QD 144 VAL HN 4.88 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1,2244, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=2232,2240,
&end
#
# 143 PHE QD 152 VAL HA 4.39 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1,2403, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1=2232,2240,
&end
#
# 143 PHE QD 152 VAL HN 4.76 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= -1,2401, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=2232,2240,
&end
#
# 143 PHE QD 152 VAL QQG 3.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1=2232,2240,
igr2=2407,2408,2409,2411,2412,2413,
&end
#
# 143 PHE QE 152 VAL QQG 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1=2234,2238,
igr2=2407,2408,2409,2411,2412,2413,
&end
#
# 144 VAL HA 144 VAL QG1 3.26 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2246, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=2250,2251,2252,
&end
#
# 144 VAL HA 144 VAL QG2 3.26 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=2246, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=2254,2255,2256,
&end
#
# 144 VAL HA 145 LYS HA 4.84 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=2246,2262, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 144 VAL HA 145 LYS HB2 5.15 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2246,2264, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 144 VAL HA 145 LYS HB3 5.15 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=2246,2265, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 144 VAL HA 145 LYS HN 3.12 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2246,2260, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 144 VAL HA 145 LYS QB 4.50
&rst
ixpk= 0, nxpk= 0, iat=2246, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2264,2265,
&end
#
# 144 VAL HA 150 TRP HE3 4.48 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2246,2374, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 144 VAL HA 150 TRP HZ3 3.74 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2246,2372, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 144 VAL HB 145 LYS HN 4.30 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2248,2260, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 144 VAL HB 151 LYS HN 5.39 (#SUP 0.96 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=2248,2379, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 144 VAL HB 153 ASN HB2 4.68 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2248,2421, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 144 VAL HB 153 ASN HB3 4.74 (#SUP 0.79 #QF 0.36)
&rst
ixpk= 0, nxpk= 0, iat=2248,2422, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 144 VAL HN 144 VAL HB 3.68 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2244,2248, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 144 VAL HN 144 VAL QG1 4.01 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=2244, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=2250,2251,2252,
&end
#
# 144 VAL HN 144 VAL QG2 4.01 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=2244, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=2254,2255,2256,
&end
#
# 144 VAL HN 144 VAL QQG 3.30
&rst
ixpk= 0, nxpk= 0, iat=2244, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr2=2250,2251,2252,2254,2255,2256,
&end
#
# 144 VAL HN 145 LYS HN 4.49 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2244,2260, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 144 VAL HN 150 TRP HA 5.31 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=2244,2357, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 144 VAL HN 150 TRP HE3 4.22 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2244,2374, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 144 VAL HN 151 LYS HN 3.92 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=2244,2379, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 144 VAL HN 152 VAL HA 4.36 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2244,2403, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 144 VAL HN 153 ASN HB3 4.25 (#SUP 0.97 #QF 0.30)
&rst
ixpk= 0, nxpk= 0, iat=2244,2422, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 144 VAL HN 153 ASN HN 4.66 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=2244,2417, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 144 VAL QG1 145 LYS HN 4.47 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,2260, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=2250,2251,2252,
&end
#
# 144 VAL QG1 150 TRP HZ3 4.73 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,2372, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=2250,2251,2252,
&end
#
# 144 VAL QG1 153 ASN HB3 4.66 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1,2422, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=2250,2251,2252,
&end
#
# 144 VAL QG2 145 LYS HN 4.47 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,2260, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=2254,2255,2256,
&end
#
# 144 VAL QG2 150 TRP HZ3 4.73 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1,2372, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=2254,2255,2256,
&end
#
# 144 VAL QG2 153 ASN HB3 4.66 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,2422, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=2254,2255,2256,
&end
#
# 144 VAL QQG 145 LYS HN 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1,2260, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1=2250,2251,2252,2254,2255,2256,
&end
#
# 144 VAL QQG 146 GLU HN 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1,2282, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=2250,2251,2252,2254,2255,2256,
&end
#
# 144 VAL QQG 150 TRP HE3 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1,2374, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2250,2251,2252,2254,2255,2256,
&end
#
# 144 VAL QQG 153 ASN HA 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1,2419, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1=2250,2251,2252,2254,2255,2256,
&end
#
# 144 VAL QQG 153 ASN HB2 3.23
&rst
ixpk= 0, nxpk= 0, iat= -1,2421, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1=2250,2251,2252,2254,2255,2256,
&end
#
# 144 VAL QQG 153 ASN HB3 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1,2422, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1=2250,2251,2252,2254,2255,2256,
&end
#
# 144 VAL QQG 153 ASN HD21 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1,2426, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1=2250,2251,2252,2254,2255,2256,
&end
#
# 144 VAL QQG 153 ASN HD22 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1,2427, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=2250,2251,2252,2254,2255,2256,
&end
#
# 144 VAL QQG 153 ASN HN 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1,2417, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1=2250,2251,2252,2254,2255,2256,
&end
#
# 145 LYS HA 145 LYS HG2 3.99 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2262,2267, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 145 LYS HA 145 LYS HG3 3.54 (#SUP 1.00 #QF 0.98)
&rst
ixpk= 1, nxpk= 0, iat=2262,2268, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 145 LYS HA 145 LYS QD 4.20 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=2262, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=2270,2271,
&end
#
# 145 LYS HA 146 GLU HN 3.05 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2262,2282, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 145 LYS HA 146 GLU QB 4.20 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat=2262, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=2286,2287,
&end
#
# 145 LYS HA 149 LYS HN 4.58 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat=2262,2333, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 145 LYS HA 150 TRP HA 3.57 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat=2262,2357, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 145 LYS HA 150 TRP HE3 4.84 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2262,2374, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 145 LYS HA 150 TRP HN 4.85 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat=2262,2355, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 145 LYS HA 151 LYS HN 3.94 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat=2262,2379, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 145 LYS HB2 145 LYS HE2 4.61 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat=2264,2273, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 145 LYS HB2 145 LYS HE3 4.61 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=2264,2274, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 145 LYS HB2 145 LYS QD 3.82 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2264, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=2270,2271,
&end
#
# 145 LYS HB2 146 GLU HN 4.62 (#SUP 0.74 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat=2264,2282, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 145 LYS HB2 150 TRP HH2 5.50 (#SUP 0.86 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat=2264,2370, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 145 LYS HB2 150 TRP HZ3 5.28 (#SUP 0.86 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat=2264,2372, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 145 LYS HB3 145 LYS HE2 4.61 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=2265,2273, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 145 LYS HB3 145 LYS HE3 4.61 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=2265,2274, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 145 LYS HB3 145 LYS QD 3.82 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2265, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=2270,2271,
&end
#
# 145 LYS HB3 146 GLU HN 4.62 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2265,2282, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 145 LYS HB3 150 TRP HH2 5.50 (#SUP 0.91 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat=2265,2370, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 145 LYS HB3 150 TRP HZ3 5.28 (#SUP 0.91 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat=2265,2372, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 145 LYS HE2 150 TRP HD1 4.50 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=2273,2363, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 145 LYS HE2 150 TRP HE1 4.30 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2273,2365, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 145 LYS HE2 150 TRP HZ2 4.49 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2273,2368, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 145 LYS HE3 150 TRP HD1 4.50 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=2274,2363, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 145 LYS HE3 150 TRP HE1 4.30 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=2274,2365, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 145 LYS HE3 150 TRP HZ2 4.49 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat=2274,2368, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 145 LYS HG2 145 LYS QE 3.70
&rst
ixpk= 0, nxpk= 0, iat=2267, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=2273,2274,
&end
#
# 145 LYS HG2 146 GLU HN 4.37 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2267,2282, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 145 LYS HG2 148 LYS HA 4.32 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=2267,2313, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 145 LYS HG2 148 LYS HN 4.97 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2267,2311, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 145 LYS HG2 149 LYS HN 4.26 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2267,2333, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 145 LYS HG3 145 LYS HE2 4.00 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2268,2273, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 145 LYS HG3 145 LYS HE3 4.00 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=2268,2274, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 145 LYS HG3 146 GLU HN 4.70 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2268,2282, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 145 LYS HG3 148 LYS HA 4.68 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=2268,2313, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 145 LYS HG3 149 LYS HN 4.20 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2268,2333, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 145 LYS HG3 150 TRP HA 4.36 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=2268,2357, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 145 LYS HG3 150 TRP HB2 4.37 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=2268,2359, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 145 LYS HG3 150 TRP HB3 5.41 (#SUP 0.99 #QF 0.46)
&rst
ixpk= 0, nxpk= 0, iat=2268,2360, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 145 LYS HG3 150 TRP HD1 3.76 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2268,2363, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 145 LYS HG3 150 TRP HE1 4.37 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2268,2365, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 145 LYS HG3 150 TRP HE3 4.70 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2268,2374, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 145 LYS HG3 150 TRP HN 4.55 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2268,2355, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 145 LYS HG3 150 TRP HZ2 5.50 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2268,2368, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 145 LYS HN 145 LYS HB2 3.57 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2260,2264, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 145 LYS HN 145 LYS HB3 3.57 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2260,2265, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 145 LYS HN 145 LYS HG2 4.59 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2260,2267, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 145 LYS HN 145 LYS HG3 4.56 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=2260,2268, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 145 LYS HN 145 LYS QB 3.13
&rst
ixpk= 0, nxpk= 0, iat=2260, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2=2264,2265,
&end
#
# 145 LYS HN 145 LYS QD 4.77 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=2260, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2=2270,2271,
&end
#
# 145 LYS HN 146 GLU HN 4.49 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=2260,2282, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 145 LYS HN 150 TRP HE3 4.43 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2260,2374, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 145 LYS HN 150 TRP HH2 5.50 (#SUP 0.90 #QF 0.57)
&rst
ixpk= 0, nxpk= 0, iat=2260,2370, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 145 LYS HN 150 TRP HZ3 3.84 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2260,2372, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 145 LYS QB 145 LYS QD 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1=2264,2265,
igr2=2270,2271,
&end
#
# 145 LYS QB 145 LYS QE 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=2264,2265,
igr2=2273,2274,
&end
#
# 145 LYS QB 146 GLU HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2282, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=2264,2265,
&end
#
# 145 LYS QB 149 LYS HN 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,2333, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=2264,2265,
&end
#
# 145 LYS QB 150 TRP HA 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1,2357, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=2264,2265,
&end
#
# 145 LYS QB 150 TRP HE3 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1,2374, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=2264,2265,
&end
#
# 145 LYS QB 150 TRP HZ3 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1,2372, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1=2264,2265,
&end
#
# 145 LYS QD 146 GLU HN 5.04 (#SUP 0.59 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat= -1,2282, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=2270,2271,
&end
#
# 145 LYS QD 148 LYS HA 3.88 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,2313, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1=2270,2271,
&end
#
# 145 LYS QD 148 LYS HN 4.88 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1,2311, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=2270,2271,
&end
#
# 145 LYS QD 149 LYS HN 4.24 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,2333, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=2270,2271,
&end
#
# 145 LYS QD 150 TRP HD1 5.02 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1,2363, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=2270,2271,
&end
#
# 145 LYS QD 150 TRP HE1 4.61 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= -1,2365, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1=2270,2271,
&end
#
# 145 LYS QD 150 TRP HN 4.74 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= -1,2355, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=2270,2271,
&end
#
# 145 LYS QD 150 TRP HZ2 4.87 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= -1,2368, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1=2270,2271,
&end
#
# 145 LYS QE 148 LYS HA 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1,2313, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=2273,2274,
&end
#
# 145 LYS QE 149 LYS HA 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1,2335, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=2273,2274,
&end
#
# 145 LYS QE 149 LYS HN 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1,2333, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2273,2274,
&end
#
# 145 LYS QE 150 TRP HH2 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1,2370, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=2273,2274,
&end
#
# 145 LYS QE 150 TRP HZ2 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1,2368, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1=2273,2274,
&end
#
# 146 GLU HA 146 GLU HG2 4.04 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2284,2289, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 146 GLU HA 146 GLU HG3 4.04 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2284,2290, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 146 GLU HA 146 GLU QG 3.42
&rst
ixpk= 1, nxpk= 0, iat=2284, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=2289,2290,
&end
#
# 146 GLU HN 146 GLU HG2 4.87 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2282,2289, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 146 GLU HN 146 GLU HG3 4.87 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2282,2290, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 146 GLU HN 146 GLU QB 3.47 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=2282, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=2286,2287,
&end
#
# 146 GLU HN 146 GLU QG 4.24
&rst
ixpk= 0, nxpk= 0, iat=2282, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=2289,2290,
&end
#
# 146 GLU HN 149 LYS HN 4.12 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2282,2333, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 146 GLU HN 150 TRP HA 4.20 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat=2282,2357, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 146 GLU HN 151 LYS QE 4.47
&rst
ixpk= 0, nxpk= 0, iat=2282, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=2392,2393,
&end
#
# 146 GLU QB 147 ASN QB 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=2286,2287,
igr2=2301,2302,
&end
#
# 146 GLU QB 151 LYS QE 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1=2286,2287,
igr2=2392,2393,
&end
#
# 146 GLU QG 147 ASN QB 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1=2289,2290,
igr2=2301,2302,
&end
#
# 147 ASN HA 147 ASN QD2 4.87
&rst
ixpk= 0, nxpk= 0, iat=2299, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2=2306,2307,
&end
#
# 147 ASN HA 148 LYS QG 3.92 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=2299, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=2318,2319,
&end
#
# 147 ASN HB2 148 LYS HN 4.62 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2301,2311, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 147 ASN HB2 149 LYS HN 5.16 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=2301,2333, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 147 ASN HB3 148 LYS HN 4.62 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2302,2311, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 147 ASN HB3 149 LYS HN 5.16 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat=2302,2333, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 147 ASN QB 148 LYS HN 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1,2311, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1=2301,2302,
&end
#
# 147 ASN QB 148 LYS QB 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=2301,2302,
igr2=2315,2316,
&end
#
# 147 ASN QB 148 LYS QG 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=2301,2302,
igr2=2318,2319,
&end
#
# 147 ASN QB 149 LYS HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2333, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2301,2302,
&end
#
# 147 ASN QB 149 LYS QG 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=2301,2302,
igr2=2340,2341,
&end
#
# 148 LYS HA 148 LYS HD2 4.98 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2313,2321, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 148 LYS HA 148 LYS HD3 4.98 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat=2313,2322, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 148 LYS HA 148 LYS QD 4.22
&rst
ixpk= 0, nxpk= 0, iat=2313, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=2321,2322,
&end
#
# 148 LYS HA 148 LYS QG 3.24 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2313, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2=2318,2319,
&end
#
# 148 LYS HA 149 LYS HN 3.53 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2313,2333, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 148 LYS HN 148 LYS QD 5.34
&rst
ixpk= 1, nxpk= 0, iat=2311, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=2321,2322,
&end
#
# 148 LYS HN 148 LYS QE 5.50 (#SUP 0.91 #QF 0.47)
&rst
ixpk= 0, nxpk= 0, iat=2311, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2324,2325,
&end
#
# 148 LYS HN 148 LYS QG 4.00 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=2311, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2318,2319,
&end
#
# 148 LYS HN 149 LYS HN 3.46 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=2311,2333, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 148 LYS HN 149 LYS QB 5.34
&rst
ixpk= 0, nxpk= 0, iat=2311, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=2337,2338,
&end
#
# 148 LYS QB 148 LYS QD 2.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=2315,2316,
igr2=2321,2322,
&end
#
# 148 LYS QB 148 LYS QE 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=2315,2316,
igr2=2324,2325,
&end
#
# 148 LYS QG 148 LYS QE 3.81 (#SUP 0.86 #QF 0.27)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=2318,2319,
igr2=2324,2325,
&end
#
# 148 LYS QG 149 LYS HN 4.68 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,2333, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=2318,2319,
&end
#
# 149 LYS HA 149 LYS QD 4.18 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=2335, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2=2343,2344,
&end
#
# 149 LYS HA 149 LYS QG 3.35 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2335, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2=2340,2341,
&end
#
# 149 LYS HA 150 TRP HD1 4.30 (#SUP 0.74 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat=2335,2363, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 149 LYS HA 150 TRP HN 2.88 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat=2335,2355, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end
#
# 149 LYS HN 149 LYS QB 3.05
&rst
ixpk= 0, nxpk= 0, iat=2333, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2=2337,2338,
&end
#
# 149 LYS HN 149 LYS QG 3.64 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2333, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2=2340,2341,
&end
#
# 149 LYS HN 150 TRP HN 4.45 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2333,2355, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 149 LYS QB 149 LYS QE 4.13
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=2337,2338,
igr2=2346,2347,
&end
#
# 149 LYS QB 150 TRP HN 3.46
&rst
ixpk= 1, nxpk= 0, iat= -1,2355, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1=2337,2338,
&end
#
# 149 LYS QB 151 LYS QE 3.60
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=2337,2338,
igr2=2392,2393,
&end
#
# 149 LYS QD 151 LYS QE 5.30
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr1=2343,2344,
igr2=2392,2393,
&end
#
# 149 LYS QE 150 TRP HN 5.50 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= -1,2355, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2346,2347,
&end
#
# 149 LYS QG 149 LYS QE 3.22 (#SUP 0.64 #QF 0.64)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1=2340,2341,
igr2=2346,2347,
&end
#
# 149 LYS QG 150 TRP HN 4.43 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,2355, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1=2340,2341,
&end
#
# 149 LYS QG 151 LYS QE 5.05
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2340,2341,
igr2=2392,2393,
&end
#
# 150 TRP HA 150 TRP HE3 3.93 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=2357,2374, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 150 TRP HA 151 LYS HN 3.15 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=2357,2379, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 150 TRP HB2 150 TRP HD1 3.53 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=2359,2363, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 150 TRP HB2 151 LYS HN 4.42 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2359,2379, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 150 TRP HB3 150 TRP HD1 3.82 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2360,2363, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 150 TRP HB3 150 TRP HE3 3.88 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2360,2374, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 150 TRP HB3 151 LYS HN 4.09 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=2360,2379, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 150 TRP HE3 151 LYS HN 3.93 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=2374,2379, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 150 TRP HN 150 TRP HB2 3.29 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=2355,2359, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 150 TRP HN 150 TRP HB3 3.77 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2355,2360, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 150 TRP HN 150 TRP HD1 3.52 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2355,2363, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 150 TRP HN 150 TRP HE1 5.19 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2355,2365, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 150 TRP HN 151 LYS HN 4.68 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat=2355,2379, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 151 LYS HB2 152 VAL HN 4.02 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=2383,2401, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 151 LYS HB3 152 VAL HN 4.02 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=2384,2401, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 151 LYS HN 151 LYS HD2 4.83 (#SUP 0.76 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat=2379,2389, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 151 LYS HN 151 LYS HD3 4.83 (#SUP 1.00 #QF 0.99)
&rst
ixpk= 1, nxpk= 0, iat=2379,2390, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 151 LYS HN 151 LYS HG2 4.80 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=2379,2386, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 151 LYS HN 151 LYS HG3 4.80 (#SUP 0.76 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat=2379,2387, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 151 LYS HN 151 LYS QB 3.59
&rst
ixpk= 0, nxpk= 0, iat=2379, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2=2383,2384,
&end
#
# 151 LYS HN 151 LYS QD 4.23
&rst
ixpk= 0, nxpk= 0, iat=2379, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2=2389,2390,
&end
#
# 151 LYS HN 151 LYS QG 3.97
&rst
ixpk= 0, nxpk= 0, iat=2379, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=2386,2387,
&end
#
# 151 LYS QB 151 LYS QE 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1=2383,2384,
igr2=2392,2393,
&end
#
# 152 VAL HA 152 VAL QG1 3.25 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2403, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2=2407,2408,2409,
&end
#
# 152 VAL HA 152 VAL QG2 3.25 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2403, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2=2411,2412,2413,
&end
#
# 152 VAL HA 153 ASN HB3 4.59 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=2403,2422, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 152 VAL HA 153 ASN HN 3.21 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2403,2417, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 152 VAL HA 154 GLN HN 3.73 (#SUP 0.55 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat=2403,2431, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 152 VAL HB 153 ASN HN 4.68 (#SUP 0.99 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=2405,2417, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 152 VAL HB 154 GLN HN 3.81 (#SUP 1.00 #QF 0.80)
&rst
ixpk= 1, nxpk= 0, iat=2405,2431, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 152 VAL HN 152 VAL HB 3.59 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2401,2405, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 152 VAL HN 152 VAL QG1 4.00 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=2401, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=2407,2408,2409,
&end
#
# 152 VAL HN 152 VAL QG2 4.00 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2401, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=2411,2412,2413,
&end
#
# 152 VAL HN 152 VAL QQG 3.24
&rst
ixpk= 0, nxpk= 0, iat=2401, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=2407,2408,2409,2411,2412,2413,
&end
#
# 152 VAL HN 153 ASN HN 4.69 (#SUP 0.67 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat=2401,2417, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 152 VAL QG1 153 ASN HN 4.14 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,2417, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1=2407,2408,2409,
&end
#
# 152 VAL QG1 157 ALA HN 5.50 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,2480, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2407,2408,2409,
&end
#
# 152 VAL QG1 157 ALA QB 3.61 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1=2407,2408,2409,
igr2=2484,2485,2486,
&end
#
# 152 VAL QG2 153 ASN HN 4.14 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,2417, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1=2411,2412,2413,
&end
#
# 152 VAL QG2 157 ALA HN 5.50 (#SUP 0.73 #QF 0.30)
&rst
ixpk= 0, nxpk= 0, iat= -1,2480, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2411,2412,2413,
&end
#
# 152 VAL QG2 157 ALA QB 3.61 (#SUP 0.95 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1=2411,2412,2413,
igr2=2484,2485,2486,
&end
#
# 152 VAL QQG 153 ASN HB2 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1,2421, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1=2407,2408,2409,2411,2412,2413,
&end
#
# 152 VAL QQG 153 ASN HB3 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1,2422, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=2407,2408,2409,2411,2412,2413,
&end
#
# 152 VAL QQG 153 ASN HN 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1,2417, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1=2407,2408,2409,2411,2412,2413,
&end
#
# 152 VAL QQG 154 GLN HN 2.83
&rst
ixpk= 0, nxpk= 0, iat= -1,2431, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr1=2407,2408,2409,2411,2412,2413,
&end
#
# 152 VAL QQG 154 GLN QB 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1=2407,2408,2409,2411,2412,2413,
igr2=2435,2436,
&end
#
# 152 VAL QQG 157 ALA HA 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1,2482, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=2407,2408,2409,2411,2412,2413,
&end
#
# 152 VAL QQG 157 ALA HN 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1,2480, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=2407,2408,2409,2411,2412,2413,
&end
#
# 152 VAL QQG 157 ALA QB 2.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=2407,2408,2409,2411,2412,2413,
igr2=2484,2485,2486,
&end
#
# 152 VAL QQG 158 VAL QG2 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=2407,2408,2409,2411,2412,2413,
igr2=2500,2501,2502,
&end
#
# 153 ASN HA 153 ASN HD21 4.75 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=2419,2426, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 153 ASN HB2 153 ASN HD22 3.96 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2421,2427, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 153 ASN HB2 154 GLN HN 4.77 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=2421,2431, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 153 ASN HB3 153 ASN HD22 4.00 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2422,2427, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 153 ASN HB3 154 GLN HN 4.46 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2422,2431, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 153 ASN HN 153 ASN HB2 3.69 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2417,2421, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 153 ASN HN 153 ASN HB3 3.75 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2417,2422, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 153 ASN HN 153 ASN HD21 5.50 (#SUP 1.00 #QF 0.28)
&rst
ixpk= 1, nxpk= 0, iat=2417,2426, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 153 ASN HN 154 GLN HB2 5.25 (#SUP 0.54 #QF 0.54)
&rst
ixpk= 0, nxpk= 0, iat=2417,2435, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 153 ASN HN 154 GLN HB3 5.25 (#SUP 0.99 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=2417,2436, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 153 ASN HN 154 GLN HN 3.48 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2417,2431, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 153 ASN HN 154 GLN QB 4.45
&rst
ixpk= 0, nxpk= 0, iat=2417, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2=2435,2436,
&end
#
# 153 ASN HN 157 ALA QB 4.95 (#SUP 0.99 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat=2417, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=2484,2485,2486,
&end
#
# 154 GLN HA 154 GLN HG2 3.98 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2433,2438, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 154 GLN HA 154 GLN HG3 3.98 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2433,2439, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 154 GLN HA 154 GLN QG 3.47
&rst
ixpk= 1, nxpk= 0, iat=2433, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=2438,2439,
&end
#
# 154 GLN HA 155 PHE HA 4.61 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=2433,2450, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 154 GLN HA 155 PHE HB3 5.00 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=2433,2453, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 154 GLN HA 155 PHE HN 3.52 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2433,2448, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 154 GLN HA 156 ASP HN 4.78 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2433,2468, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 154 GLN HA 157 ALA QB 4.52 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2433, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=2484,2485,2486,
&end
#
# 154 GLN HB2 154 GLN HE21 5.07 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2435,2443, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 154 GLN HB2 155 PHE HN 4.80 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2435,2448, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 154 GLN HB2 157 ALA QB 3.72 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2435, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=2484,2485,2486,
&end
#
# 154 GLN HB3 154 GLN HE21 5.07 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2436,2443, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 154 GLN HB3 155 PHE HN 4.80 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2436,2448, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 154 GLN HB3 157 ALA QB 3.72 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=2436, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=2484,2485,2486,
&end
#
# 154 GLN HE21 156 ASP HB3 5.36 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2443,2473, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 154 GLN HE21 156 ASP HN 4.34 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2443,2468, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 154 GLN HE21 157 ALA HA 4.41 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2443,2482, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 154 GLN HE21 157 ALA HN 4.96 (#SUP 0.92 #QF 0.30)
&rst
ixpk= 0, nxpk= 0, iat=2443,2480, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 154 GLN HE21 157 ALA QB 4.58 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2443, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=2484,2485,2486,
&end
#
# 154 GLN HE22 156 ASP HN 5.27 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=2444,2468, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 154 GLN HE22 157 ALA HA 4.17 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=2444,2482, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 154 GLN HE22 157 ALA QB 4.79 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=2444, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=2484,2485,2486,
&end
#
# 154 GLN HG2 154 GLN HE22 4.03 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2438,2444, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 154 GLN HG2 155 PHE HN 4.46 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2438,2448, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 154 GLN HG2 156 ASP HN 3.72 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat=2438,2468, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 154 GLN HG2 157 ALA HA 4.61 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat=2438,2482, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 154 GLN HG2 157 ALA QB 4.23 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2438, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=2484,2485,2486,
&end
#
# 154 GLN HG3 154 GLN HE22 4.03 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2439,2444, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 154 GLN HG3 155 PHE HN 4.46 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2439,2448, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 154 GLN HG3 156 ASP HN 3.72 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2439,2468, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 154 GLN HG3 157 ALA HA 4.61 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2439,2482, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 154 GLN HG3 157 ALA QB 4.23 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2439, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=2484,2485,2486,
&end
#
# 154 GLN HN 154 GLN HB2 4.00 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2431,2435, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 154 GLN HN 154 GLN HB3 4.00 (#SUP 1.00 #QF 0.80)
&rst
ixpk= 1, nxpk= 0, iat=2431,2436, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 154 GLN HN 154 GLN QB 3.38
&rst
ixpk= 1, nxpk= 0, iat=2431, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=2435,2436,
&end
#
# 154 GLN HN 154 GLN QG 4.48
&rst
ixpk= 1, nxpk= 0, iat=2431, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=2438,2439,
&end
#
# 154 GLN HN 155 PHE HN 4.39 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2431,2448, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 154 GLN HN 157 ALA QB 3.89 (#SUP 1.00 #QF 0.92)
&rst
ixpk= 1, nxpk= 0, iat=2431, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=2484,2485,2486,
&end
#
# 154 GLN QB 154 GLN HE21 4.24
&rst
ixpk= 1, nxpk= 0, iat= -1,2443, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=2435,2436,
&end
#
# 154 GLN QB 156 ASP HN 4.95
&rst
ixpk= 1, nxpk= 0, iat= -1,2468, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=2435,2436,
&end
#
# 154 GLN QB 157 ALA HA 4.31
&rst
ixpk= 1, nxpk= 0, iat= -1,2482, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=2435,2436,
&end
#
# 154 GLN QB 157 ALA HN 3.87
&rst
ixpk= 1, nxpk= 0, iat= -1,2480, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1=2435,2436,
&end
#
# 154 GLN QB 157 ALA QB 2.95
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1=2435,2436,
igr2=2484,2485,2486,
&end
#
# 154 GLN QG 154 GLN HE21 3.02
&rst
ixpk= 1, nxpk= 0, iat= -1,2443, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr1=2438,2439,
&end
#
# 154 GLN QG 155 PHE HN 3.88
&rst
ixpk= 1, nxpk= 0, iat= -1,2448, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1=2438,2439,
&end
#
# 154 GLN QG 156 ASP HN 3.20
&rst
ixpk= 1, nxpk= 0, iat= -1,2468, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=2438,2439,
&end
#
# 154 GLN QG 157 ALA HA 4.04
&rst
ixpk= 1, nxpk= 0, iat= -1,2482, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=2438,2439,
&end
#
# 154 GLN QG 157 ALA HN 3.75
&rst
ixpk= 1, nxpk= 0, iat= -1,2480, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1=2438,2439,
&end
#
# 154 GLN QG 157 ALA QB 3.62
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1=2438,2439,
igr2=2484,2485,2486,
&end
#
# 155 PHE HA 155 PHE QD 3.40 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2450, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=2456,2464,
&end
#
# 155 PHE HA 155 PHE QE 4.66 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=2450, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2=2458,2462,
&end
#
# 155 PHE HA 157 ALA QB 4.86 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2450, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=2484,2485,2486,
&end
#
# 155 PHE HB2 156 ASP HN 4.14 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2452,2468, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 155 PHE HB3 156 ASP HN 3.80 (#SUP 0.99 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=2453,2468, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 155 PHE HN 155 PHE HB2 3.88 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2448,2452, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 155 PHE HN 155 PHE HB3 3.87 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=2448,2453, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 155 PHE HN 155 PHE QD 4.51 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2448, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=2456,2464,
&end
#
# 155 PHE HN 156 ASP HN 3.96 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2448,2468, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 155 PHE QD 155 PHE HZ 4.25 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,2460, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=2456,2464,
&end
#
# 155 PHE QD 156 ASP HN 4.40 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,2468, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=2456,2464,
&end
#
# 156 ASP HA 157 ALA QB 4.66 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=2470, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=2484,2485,2486,
&end
#
# 156 ASP HA 159 ILE HG12 4.86 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=2470,2516, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 156 ASP HA 159 ILE QD1 4.07 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=2470, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=2519,2520,2521,
&end
#
# 156 ASP HA 159 ILE QG2 3.72 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2470, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=2512,2513,2514,
&end
#
# 156 ASP HB2 157 ALA HN 4.71 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=2472,2480, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 156 ASP HB2 159 ILE QD1 3.64 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2472, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=2519,2520,2521,
&end
#
# 156 ASP HB2 159 ILE QG2 4.03 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat=2472, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=2512,2513,2514,
&end
#
# 156 ASP HB3 157 ALA HN 5.30 (#SUP 0.98 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=2473,2480, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 156 ASP HB3 159 ILE QD1 3.96 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2473, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=2519,2520,2521,
&end
#
# 156 ASP HB3 159 ILE QG2 4.45 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2473, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=2512,2513,2514,
&end
#
# 156 ASP HN 156 ASP HB2 4.15 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2468,2472, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 156 ASP HN 156 ASP HB3 3.94 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=2468,2473, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 156 ASP HN 157 ALA HN 3.52 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2468,2480, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 156 ASP HN 157 ALA QB 4.50 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2468, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2484,2485,2486,
&end
#
# 156 ASP HN 159 ILE QD1 5.49 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2468, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2=2519,2520,2521,
&end
#
# 156 ASP HN 159 ILE QG2 5.50 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2468, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2512,2513,2514,
&end
#
# 157 ALA HA 158 VAL QG2 4.53 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=2482, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=2500,2501,2502,
&end
#
# 157 ALA HN 157 ALA QB 2.96 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2480, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2=2484,2485,2486,
&end
#
# 157 ALA HN 158 VAL HN 3.55 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=2480,2490, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 157 ALA HN 158 VAL QG2 5.09 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat=2480, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=2500,2501,2502,
&end
#
# 157 ALA QB 158 VAL HA 4.29 (#SUP 0.64 #QF 0.64)
&rst
ixpk= 0, nxpk= 0, iat= -1,2492, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=2484,2485,2486,
&end
#
# 157 ALA QB 158 VAL HN 3.70 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,2490, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=2484,2485,2486,
&end
#
# 157 ALA QB 158 VAL QG1 4.76 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1=2484,2485,2486,
igr2=2496,2497,2498,
&end
#
# 157 ALA QB 158 VAL QG2 3.11 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=2484,2485,2486,
igr2=2500,2501,2502,
&end
#
# 158 VAL HA 158 VAL QG1 3.42 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2492, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=2496,2497,2498,
&end
#
# 158 VAL HA 158 VAL QG2 3.46 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2492, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=2500,2501,2502,
&end
#
# 158 VAL HA 159 ILE HA 4.70 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=2492,2508, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 158 VAL HA 159 ILE HB 5.50 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat=2492,2510, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 158 VAL HA 159 ILE HG12 4.68 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat=2492,2516, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 158 VAL HA 159 ILE HG13 4.89 (#SUP 0.65 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat=2492,2517, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 158 VAL HA 159 ILE HN 3.03 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2492,2506, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 158 VAL HB 159 ILE HN 5.13 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=2494,2506, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 158 VAL HN 158 VAL HB 3.76 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2490,2494, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 158 VAL HN 158 VAL QG1 4.64 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2490, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=2496,2497,2498,
&end
#
# 158 VAL HN 158 VAL QG2 3.66 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2490, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=2500,2501,2502,
&end
#
# 158 VAL HN 159 ILE HN 4.54 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=2490,2506, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 158 VAL HN 159 ILE QG2 5.04 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat=2490, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=2512,2513,2514,
&end
#
# 158 VAL QG1 159 ILE HA 4.48 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1,2508, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=2496,2497,2498,
&end
#
# 158 VAL QG1 159 ILE HN 3.83 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,2506, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=2496,2497,2498,
&end
#
# 158 VAL QG2 159 ILE HA 5.50 (#SUP 0.58 #QF 0.58)
&rst
ixpk= 0, nxpk= 0, iat= -1,2508, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2500,2501,2502,
&end
#
# 158 VAL QG2 159 ILE HN 4.24 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1,2506, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=2500,2501,2502,
&end
#
# 159 ILE HA 159 ILE HG12 4.07 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2508,2516, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 159 ILE HA 159 ILE HG13 4.00 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2508,2517, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 159 ILE HA 159 ILE QD1 4.18 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2508, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=2519,2520,2521,
&end
#
# 159 ILE HA 159 ILE QG2 3.37 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2508, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=2512,2513,2514,
&end
#
# 159 ILE HB 159 ILE QD1 3.17 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2510, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2=2519,2520,2521,
&end
#
# 159 ILE HN 159 ILE HB 3.84 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2506,2510, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 159 ILE HN 159 ILE HG12 3.94 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2506,2516, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 159 ILE HN 159 ILE HG13 3.91 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2506,2517, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 159 ILE HN 159 ILE QD1 4.34 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2506, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=2519,2520,2521,
&end
#
# 159 ILE HN 159 ILE QG2 4.03 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2506, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=2512,2513,2514,
&end
#
# 159 ILE QG2 159 ILE HG12 3.67 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,2516, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2512,2513,2514,
&end
#
# 159 ILE QG2 159 ILE HG13 3.74 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,2517, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=2512,2513,2514,
&end
#
# 159 ILE QG2 159 ILE QD1 2.95 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=2512,2513,2514,
igr2=2519,2520,2521,
&end
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