NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
489265 |
2kvd   |
cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 78 VAL QG1 79 GLU H 4.09 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= -1,1259, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr1=1249,1250,1251,
&end
#
# 79 GLU H 79 GLU HB3 3.75 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat=1259,1264, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 77 PRO HA 79 GLU H 3.82 (#SUP 0.51 #QF 0.51)
&rst
ixpk= 0, nxpk= 0, iat=1239,1259, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 79 GLU H 80 LYS H 3.32 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1259,1274, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 79 GLU H 81 ILE H 4.14 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1259,1296, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 78 VAL H 79 GLU H 3.38 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1243,1259, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 43 ALA QB 44 ARG H 3.32 (#SUP 0.93 #QF 0.30)
&rst
ixpk= 0, nxpk= 0, iat= -1, 710, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr1= 704, 705, 706,
&end
#
# 44 ARG H 47 GLU HB2 3.64 (#SUP 0.93 #QF 0.30)
&rst
ixpk= 0, nxpk= 0, iat= 710, 767, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 44 ARG H 44 ARG HB3 3.63 (#SUP 0.56 #QF 0.56)
&rst
ixpk= 0, nxpk= 0, iat= 710, 715, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 44 ARG H 47 GLU HB3 4.01 (#SUP 0.65 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat= 710, 768, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 44 ARG H 44 ARG HD3 5.46 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat= 710, 721, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 27 PHE H 28 SER H 5.01 (#SUP 0.80 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat= 439, 459, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 27 PHE H 27 PHE QD 3.74 (#SUP 0.69 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat= 439, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 447, 455,
&end
#
# 27 PHE H 27 PHE HB2 3.81 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 439, 443, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 26 THR HA 27 PHE H 2.99 (#SUP 0.55 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat= 427, 439, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 157 ASP QB 158 LEU H 3.89 (#SUP 0.57 #QF 0.57)
&rst
ixpk= 0, nxpk= 0, iat= -1,2574, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1=2566,2567,
&end
#
# 158 LEU H 158 LEU QB 3.01 (#SUP 0.61 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat=2574, -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
igr2=2578,2579,
&end
#
# 155 ARG HG2 158 LEU H 4.85 (#SUP 0.51 #QF 0.33)
&rst
ixpk= 0, nxpk= 0, iat=2531,2574, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 102 ASP HB2 103 LEU H 4.48 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat=1667,1675, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 102 ASP HB3 103 LEU H 4.48 (#SUP 0.62 #QF 0.62)
&rst
ixpk= 0, nxpk= 0, iat=1668,1675, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 101 ILE QD1 103 LEU H 4.02 (#SUP 0.80 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat= -1,1675, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1657,1658,1659,
&end
#
# 103 LEU H 103 LEU HB3 3.76 (#SUP 0.65 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat=1675,1680, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 103 LEU H 103 LEU HB2 3.04 (#SUP 0.70 #QF 0.24)
&rst
ixpk= 0, nxpk= 0, iat=1675,1679, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 132 CYS HA 131 ALA H 3.07 (#SUP 0.61 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat=2132,2140, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 131 ALA H 135 ASP QB 3.61 (#SUP 0.64 #QF 0.64)
&rst
ixpk= 0, nxpk= 0, iat=2140, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=2202,2203,
&end
#
# 131 ALA H 132 GLU QG 4.39 (#SUP 0.69 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat=2140, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2=2157,2158,
&end
#
# 131 ALA H 131 ALA QB 3.26 (#SUP 0.69 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat=2140, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=2144,2145,2146,
&end
#
# 131 ALA H 132 GLU HB3 5.17 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat=2140,2155, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 107 ASP HA 108 LEU H 2.68 (#SUP 0.55 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat=1737,1747, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18, &end
#
# 107 ASP HB3 108 LEU H 4.73 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat=1740,1747, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 108 LEU H 108 LEU QD2 4.14 (#SUP 0.50 #QF 0.50)
&rst
ixpk= 0, nxpk= 0, iat=1747, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1760,1761,1762,
&end
#
# 108 LEU H 108 LEU HB3 3.65 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat=1747,1752, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 108 LEU H 108 LEU HB2 2.82 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat=1747,1751, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, &end
#
# 108 LEU H 110 LYS H 4.70 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1747,1788, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 123 TRP HE1 147 TYR QD 4.81 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat=2041, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2424,2433,
&end
#
# 123 TRP HE1 147 TYR HA 4.95 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat=2041,2418, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 123 TRP HE1 144 MET HA 5.32 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=2041,2365, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 123 TRP HE1 150 LYS QE 5.50 (#SUP 0.86 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat=2041, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2474,2475,
&end
#
# 123 TRP HB3 123 TRP HE1 5.26 (#SUP 0.74 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat=2036,2041, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 123 TRP HE1 147 TYR HB3 3.64 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat=2041,2421, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 123 TRP HE1 150 LYS QD 5.50 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=2041, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2471,2472,
&end
#
# 123 TRP HE1 147 TYR HB2 3.91 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2041,2420, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 35 GLU H 36 LEU H 3.39 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 556, 571, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 36 LEU H 37 ILE H 3.48 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 571, 590, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 16 PHE HZ 36 LEU H 4.07 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat= 262, 571, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 36 LEU H 38 LYS QE 5.50 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 622, 623,
&end
#
# 35 GLU HG2 36 LEU H 4.71 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= 563, 571, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 35 GLU HG3 36 LEU H 4.71 (#SUP 0.64 #QF 0.64)
&rst
ixpk= 0, nxpk= 0, iat= 564, 571, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 36 LEU H 37 ILE QD1 4.13 (#SUP 0.93 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 603, 604, 605,
&end
#
# 102 ASP H 102 ASP HB2 3.71 (#SUP 0.61 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat=1663,1667, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 102 ASP H 102 ASP HB3 3.71 (#SUP 0.56 #QF 0.56)
&rst
ixpk= 0, nxpk= 0, iat=1663,1668, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 101 ILE HA 102 ASP H 2.93 (#SUP 0.52 #QF 0.52)
&rst
ixpk= 0, nxpk= 0, iat=1646,1663, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 101 ILE HB 102 ASP H 4.02 (#SUP 0.57 #QF 0.57)
&rst
ixpk= 0, nxpk= 0, iat=1648,1663, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 106 VAL HA 107 ASP H 3.32 (#SUP 0.59 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat=1721,1735, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 107 ASP H 107 ASP HB2 3.94 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat=1735,1739, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 107 ASP H 107 ASP HB3 3.94 (#SUP 0.74 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat=1735,1740, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 106 VAL HB 107 ASP H 4.69 (#SUP 0.66 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat=1723,1735, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 60 ALA QB 61 ALA H 3.73 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat= -1, 971, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 965, 966, 967,
&end
#
# 61 ALA H 61 ALA QB 3.30 (#SUP 0.44 #QF 0.44)
&rst
ixpk= 0, nxpk= 0, iat= 971, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 975, 976, 977,
&end
#
# 13 LEU QD1 15 ARG H 5.50 (#SUP 0.74 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat= -1, 226, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 209, 210, 211,
&end
#
# 13 LEU QD2 15 ARG H 5.50 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat= -1, 226, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 213, 214, 215,
&end
#
# 15 ARG H 15 ARG HB2 3.70 (#SUP 0.52 #QF 0.52)
&rst
ixpk= 0, nxpk= 0, iat= 226, 230, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 15 ARG H 16 PHE HB3 4.78 (#SUP 0.47 #QF 0.47)
&rst
ixpk= 0, nxpk= 0, iat= 226, 255, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 15 ARG H 15 ARG HD3 4.98 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 226, 237, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 148 ALA H 149 PRO HD2 3.39 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat=2437,2448, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 148 ALA H 149 PRO HD3 3.59 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat=2437,2449, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 12 TYR HA 15 ARG H 3.85 (#SUP 0.38 #QF 0.38)
&rst
ixpk= 0, nxpk= 0, iat= 181, 226, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 13 LEU H 15 ARG H 4.53 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 200, 226, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 14 GLY H 15 ARG H 3.56 (#SUP 0.81 #QF 0.33)
&rst
ixpk= 0, nxpk= 0, iat= 219, 226, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 146 LYS H 148 ALA H 4.01 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2394,2437, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 147 TYR H 148 ALA H 2.71 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2416,2437, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21, &end
#
# 147 TYR QD 148 ALA H 4.30 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= -1,2437, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=2424,2433,
&end
#
# 146 LYS HA 148 ALA H 4.36 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=2396,2437, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 145 PRO HA 148 ALA H 3.67 (#SUP 0.93 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat=2390,2437, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 147 TYR HB2 148 ALA H 3.73 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat=2420,2437, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 148 ALA H 148 ALA QB 2.79 (#SUP 0.27 #QF 0.27)
&rst
ixpk= 0, nxpk= 0, iat=2437, -1, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,
igr2=2441,2442,2443,
&end
#
# 147 TYR HB3 148 ALA H 4.44 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat=2421,2437, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 148 ALA H 149 PRO QG 4.38 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=2437, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=2451,2452,
&end
#
# 37 ILE H 39 PHE H 4.43 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 590, 631, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 39 PHE H 40 CYS H 3.31 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 631, 651, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 38 LYS H 39 PHE H 3.26 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 609, 631, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 16 PHE QE 39 PHE H 5.49 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= -1, 631, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 260, 264,
&end
#
# 35 GLU HA 39 PHE H 4.63 (#SUP 0.74 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat= 558, 631, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 39 PHE H 39 PHE HB2 3.09 (#SUP 0.38 #QF 0.38)
&rst
ixpk= 0, nxpk= 0, iat= 631, 635, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 37 ILE HA 39 PHE H 3.69 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 592, 631, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 38 LYS QB 39 PHE H 3.76 (#SUP 0.52 #QF 0.52)
&rst
ixpk= 0, nxpk= 0, iat= -1, 631, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 613, 614,
&end
#
# 38 LYS QD 39 PHE H 4.72 (#SUP 0.74 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat= -1, 631, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 619, 620,
&end
#
# 38 LYS QG 39 PHE H 4.84 (#SUP 0.59 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat= -1, 631, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 616, 617,
&end
#
# 36 LEU HB3 39 PHE H 5.46 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= 576, 631, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 37 ILE QD1 39 PHE H 5.27 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat= -1, 631, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1= 603, 604, 605,
&end
#
# 150 LYS HA 151 ALA H 3.41 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=2463,2483, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 151 ALA H 151 ALA QB 3.13 (#SUP 0.57 #QF 0.57)
&rst
ixpk= 0, nxpk= 0, iat=2483, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2=2487,2488,2489,
&end
#
# 41 ARG H 43 ALA H 3.73 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 661, 700, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 40 CYS H 43 ALA H 4.91 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 651, 700, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 43 ALA H 44 ARG H 3.80 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 700, 710, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 42 GLU H 43 ALA H 2.74 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 685, 700, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24, &end
#
# 12 TYR QE 43 ALA H 5.18 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat= -1, 700, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 189, 194,
&end
#
# 42 GLU HA 43 ALA H 3.32 (#SUP 0.67 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat= 687, 700, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 41 ARG HA 43 ALA H 4.51 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat= 663, 700, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 43 ALA H 48 ASN HA 5.41 (#SUP 0.56 #QF 0.56)
&rst
ixpk= 0, nxpk= 0, iat= 700, 780, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 40 CYS HB2 43 ALA H 5.50 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat= 655, 700, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 CYS HB3 43 ALA H 5.50 (#SUP 0.61 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat= 656, 700, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 TYR QD 60 ALA H 4.46 (#SUP 0.92 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= -1, 961, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 853, 862,
&end
#
# 57 THR H 60 ALA H 4.35 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= 923, 961, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 59 ASP HA 60 ALA H 3.55 (#SUP 0.72 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat= 951, 961, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 58 ASP HA 60 ALA H 4.51 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= 939, 961, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 59 ASP HB2 60 ALA H 4.05 (#SUP 0.72 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat= 953, 961, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 59 ASP HB3 60 ALA H 4.05 (#SUP 0.66 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat= 954, 961, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 60 ALA H 60 ALA QB 2.75 (#SUP 0.55 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat= 961, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2= 965, 966, 967,
&end
#
# 57 THR QG2 60 ALA H 4.88 (#SUP 0.66 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat= -1, 961, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 929, 930, 931,
&end
#
# 75 HIS HB2 76 ILE H 4.76 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat=1197,1210, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 75 HIS HB3 76 ILE H 4.76 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat=1198,1210, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 74 HIS HB3 76 ILE H 4.58 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1181,1210, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 71 PRO HB2 76 ILE H 3.97 (#SUP 0.60 #QF 0.60)
&rst
ixpk= 0, nxpk= 0, iat=1140,1210, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 76 ILE H 76 ILE HG13 2.68 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat=1210,1221, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18, &end
#
# 74 HIS H 76 ILE H 4.50 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1176,1210, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 75 HIS HD2 76 ILE H 5.50 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat=1206,1210, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 101 ILE H 101 ILE HG13 4.14 (#SUP 0.51 #QF 0.51)
&rst
ixpk= 0, nxpk= 0, iat=1644,1655, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 101 ILE H 101 ILE QD1 3.40 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat=1644, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2=1657,1658,1659,
&end
#
# 101 ILE H 101 ILE HG12 4.14 (#SUP 0.56 #QF 0.56)
&rst
ixpk= 0, nxpk= 0, iat=1644,1654, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 100 GLN HB3 101 ILE H 4.74 (#SUP 0.70 #QF 0.57)
&rst
ixpk= 0, nxpk= 0, iat=1632,1644, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 100 GLN HB2 101 ILE H 4.74 (#SUP 0.60 #QF 0.60)
&rst
ixpk= 0, nxpk= 0, iat=1631,1644, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 121 ASP H 122 ASP H 3.05 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=2007,2019, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 119 ILE H 122 ASP H 4.71 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1969,2019, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 120 LEU HA 122 ASP H 4.38 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat=1990,2019, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 119 ILE HA 122 ASP H 3.82 (#SUP 0.69 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat=1971,2019, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 122 ASP H 122 ASP HB2 2.73 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat=2019,2023, r1= 1.30, r2= 1.80, r3= 2.73, r4= 3.23, &end
#
# 122 ASP H 122 ASP HB3 3.09 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat=2019,2024, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 120 LEU HB2 122 ASP H 5.50 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat=1992,2019, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 118 LYS QG 122 ASP H 4.34 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1,2019, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1=1954,1955,
&end
#
# 65 ILE H 65 ILE HB 3.01 (#SUP 0.62 #QF 0.62)
&rst
ixpk= 0, nxpk= 0, iat=1036,1040, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 106 VAL H 106 VAL QG1 3.91 (#SUP 0.41 #QF 0.41)
&rst
ixpk= 0, nxpk= 0, iat=1719, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1725,1726,1727,
&end
#
# 103 LEU HA 106 VAL H 3.45 (#SUP 0.49 #QF 0.49)
&rst
ixpk= 0, nxpk= 0, iat=1677,1719, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 105 THR HB 106 VAL H 4.27 (#SUP 0.47 #QF 0.47)
&rst
ixpk= 0, nxpk= 0, iat=1709,1719, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 64 ILE H 65 ILE H 3.25 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1017,1036, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 65 ILE H 67 GLU H 4.70 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat=1036,1069, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 65 ILE H 66 ASN H 4.10 (#SUP 0.74 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat=1036,1055, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 105 THR H 106 VAL H 2.86 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=1705,1719, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 104 SER H 106 VAL H 4.26 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1694,1719, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 106 VAL H 107 ASP H 4.44 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1719,1735, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 41 ARG H 41 ARG HG3 3.41 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat= 661, 669, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 81 ILE H 81 ILE QG2 3.71 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1296, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1302,1303,1304,
&end
#
# 81 ILE H 81 ILE HG12 4.32 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat=1296,1306, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 81 ILE H 81 ILE HB 3.22 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat=1296,1300, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 132 GLU QG 135 ASP H 3.25 (#SUP 0.67 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat= -1,2198, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr1=2157,2158,
&end
#
# 134 SER QB 135 ASP H 3.31 (#SUP 0.61 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat= -1,2198, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1=2191,2192,
&end
#
# 135 ASP H 136 TYR QD 5.09 (#SUP 0.74 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat=2198, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr2=2218,2227,
&end
#
# 135 ASP H 136 TYR H 2.88 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=2198,2210, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end
#
# 134 SER H 135 ASP H 3.69 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=2187,2198, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 143 LEU H 144 MET H 2.94 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=2344,2363, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 144 MET H 145 PRO HD2 3.27 (#SUP 0.61 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat=2363,2381, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 144 MET H 145 PRO HD3 3.35 (#SUP 0.63 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat=2363,2382, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 144 MET H 144 MET HB3 3.03 (#SUP 0.56 #QF 0.56)
&rst
ixpk= 0, nxpk= 0, iat=2363,2368, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 144 MET H 145 PRO HG2 4.40 (#SUP 0.62 #QF 0.62)
&rst
ixpk= 0, nxpk= 0, iat=2363,2384, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 144 MET H 146 LYS HD3 4.38 (#SUP 0.35 #QF 0.35)
&rst
ixpk= 0, nxpk= 0, iat=2363,2405, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 51 CYS H 52 TYR H 3.40 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 835, 845, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 52 TYR H 53 TYR QD 4.63 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 874, 883,
&end
#
# 52 TYR H 53 TYR H 3.35 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 845, 866, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 50 LEU HA 52 TYR H 4.33 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 818, 845, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 49 ARG HA 52 TYR H 3.54 (#SUP 0.66 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat= 794, 845, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 52 TYR H 53 TYR HA 5.40 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 845, 868, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 50 LEU HB2 52 TYR H 5.50 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat= 820, 845, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 TYR H 57 THR QG2 3.54 (#SUP 0.64 #QF 0.64)
&rst
ixpk= 0, nxpk= 0, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 929, 930, 931,
&end
#
# 21 LYS QB 22 ASP H 3.75 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= -1, 361, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 343, 344,
&end
#
# 22 ASP H 22 ASP HB3 3.15 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat= 361, 366, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 22 ASP H 22 ASP HB2 3.15 (#SUP 0.66 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat= 361, 365, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 21 LYS HG2 22 ASP H 4.06 (#SUP 0.59 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat= 346, 361, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 21 LYS QD 22 ASP H 4.61 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= -1, 361, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 349, 350,
&end
#
# 18 GLN HA 22 ASP H 4.07 (#SUP 0.59 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat= 293, 361, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 20 LEU HA 22 ASP H 4.59 (#SUP 0.49 #QF 0.49)
&rst
ixpk= 0, nxpk= 0, iat= 322, 361, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 22 ASP H 22 ASP HA 2.91 (#SUP 0.62 #QF 0.62)
&rst
ixpk= 0, nxpk= 0, iat= 361, 363, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 21 LYS H 22 ASP H 3.20 (#SUP 0.62 #QF 0.33)
&rst
ixpk= 0, nxpk= 0, iat= 339, 361, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 19 ASP H 22 ASP H 4.81 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 308, 361, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 18 GLN HE21 22 ASP H 4.53 (#SUP 0.86 #QF 0.42)
&rst
ixpk= 0, nxpk= 0, iat= 303, 361, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 18 GLN HE22 22 ASP H 4.53 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 304, 361, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 22 ASP H 23 ARG HE 5.18 (#SUP 0.52 #QF 0.52)
&rst
ixpk= 0, nxpk= 0, iat= 361, 386, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 22 ASP H 25 VAL QG1 4.65 (#SUP 0.27 #QF 0.27)
&rst
ixpk= 0, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 415, 416, 417,
&end
#
# 32 ILE H 32 ILE QD1 3.75 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 521, 522, 523,
&end
#
# 32 ILE H 32 ILE HG12 2.87 (#SUP 0.85 #QF 0.27)
&rst
ixpk= 0, nxpk= 0, iat= 508, 518, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end
#
# 31 THR QG2 32 ILE H 2.96 (#SUP 0.69 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat= -1, 508, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr1= 500, 501, 502,
&end
#
# 32 ILE H 32 ILE HG13 3.07 (#SUP 0.50 #QF 0.50)
&rst
ixpk= 0, nxpk= 0, iat= 508, 519, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 37 ILE HG13 56 ALA H 5.06 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= 601, 913, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 32 ILE H 32 ILE HB 3.24 (#SUP 0.59 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat= 508, 512, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 54 ILE HB 56 ALA H 3.73 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat= 891, 913, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 32 ILE H 33 GLU HG2 4.93 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 508, 534, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 25 VAL HA 26 THR H 3.27 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat= 411, 425, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 26 THR H 26 THR HB 3.16 (#SUP 0.44 #QF 0.44)
&rst
ixpk= 0, nxpk= 0, iat= 425, 429, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 31 THR HB 32 ILE H 3.14 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat= 498, 508, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 55 GLY H 56 ALA H 3.04 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 906, 913, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 25 VAL H 26 THR H 3.67 (#SUP 0.97 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 409, 425, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 54 ILE H 56 ALA H 3.86 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 887, 913, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 26 THR H 27 PHE H 4.21 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 425, 439, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 15 ARG H 16 PHE H 3.31 (#SUP 0.45 #QF 0.45)
&rst
ixpk= 0, nxpk= 0, iat= 226, 250, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 16 PHE H 39 PHE QE 4.50 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 641, 645,
&end
#
# 13 LEU H 16 PHE H 5.50 (#SUP 0.44 #QF 0.44)
&rst
ixpk= 0, nxpk= 0, iat= 200, 250, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 GLY HA2 16 PHE H 4.94 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= 221, 250, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 16 PHE H 17 TYR QB 5.07 (#SUP 0.65 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 274, 275,
&end
#
# 16 PHE H 16 PHE HB3 3.36 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= 250, 255, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 15 ARG HB2 16 PHE H 4.18 (#SUP 0.59 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat= 230, 250, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 15 ARG HB3 16 PHE H 4.18 (#SUP 0.55 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat= 231, 250, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 152 ALA H 152 ALA QB 3.35 (#SUP 0.63 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat=2493, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=2497,2498,2499,
&end
#
# 13 LEU QD2 16 PHE H 5.14 (#SUP 0.41 #QF 0.41)
&rst
ixpk= 0, nxpk= 0, iat= -1, 250, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 213, 214, 215,
&end
#
# 13 LEU QD1 16 PHE H 4.88 (#SUP 0.64 #QF 0.64)
&rst
ixpk= 0, nxpk= 0, iat= -1, 250, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 209, 210, 211,
&end
#
# 41 ARG H 56 ALA QB 4.95 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 661, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 917, 918, 919,
&end
#
# 41 ARG H 41 ARG HB3 3.03 (#SUP 0.69 #QF 0.58)
&rst
ixpk= 0, nxpk= 0, iat= 661, 666, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 41 ARG H 41 ARG HG2 3.41 (#SUP 0.69 #QF 0.58)
&rst
ixpk= 0, nxpk= 0, iat= 661, 668, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 41 ARG H 41 ARG QD 3.98 (#SUP 0.62 #QF 0.62)
&rst
ixpk= 0, nxpk= 0, iat= 661, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 671, 672,
&end
#
# 40 CYS HB2 41 ARG H 4.56 (#SUP 0.56 #QF 0.56)
&rst
ixpk= 0, nxpk= 0, iat= 655, 661, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 38 LYS HA 41 ARG H 4.09 (#SUP 0.64 #QF 0.64)
&rst
ixpk= 0, nxpk= 0, iat= 611, 661, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 39 PHE HA 41 ARG H 4.12 (#SUP 0.66 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat= 633, 661, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 40 CYS H 41 ARG H 3.35 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 651, 661, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 39 PHE H 41 ARG H 4.11 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 631, 661, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 39 PHE HB2 41 ARG H 5.21 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 635, 661, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 39 PHE HB3 41 ARG H 5.01 (#SUP 0.66 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat= 636, 661, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 116 LEU H 116 LEU QD1 4.05 (#SUP 0.72 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat=1906, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1915,1916,1917,
&end
#
# 116 LEU H 116 LEU HB2 3.43 (#SUP 0.55 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat=1906,1910, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 115 GLU HG2 116 LEU H 4.51 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat=1898,1906, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 113 VAL HA 116 LEU H 3.69 (#SUP 0.67 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat=1855,1906, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 118 LYS HA 121 ASP H 3.66 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat=1949,2007, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 117 LYS HA 121 ASP H 4.97 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat=1927,2007, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 121 ASP H 121 ASP HB3 3.48 (#SUP 0.69 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat=2007,2012, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 119 ILE QG2 121 ASP H 4.69 (#SUP 0.54 #QF 0.54)
&rst
ixpk= 0, nxpk= 0, iat= -1,2007, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1975,1976,1977,
&end
#
# 120 LEU QD1 121 ASP H 3.97 (#SUP 0.74 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat= -1,2007, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1997,1998,1999,
&end
#
# 120 LEU QD2 121 ASP H 3.78 (#SUP 0.54 #QF 0.54)
&rst
ixpk= 0, nxpk= 0, iat= -1,2007, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=2001,2002,2003,
&end
#
# 119 ILE HB 121 ASP H 4.68 (#SUP 0.89 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat=1973,2007, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 120 LEU HG 121 ASP H 5.07 (#SUP 0.89 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat=1995,2007, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 119 ILE HA 121 ASP H 4.41 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat=1971,2007, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 120 LEU H 121 ASP H 2.98 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1988,2007, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 119 ILE H 121 ASP H 3.99 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1969,2007, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 91 GLN H 91 GLN HB2 3.24 (#SUP 0.60 #QF 0.60)
&rst
ixpk= 0, nxpk= 0, iat=1470,1474, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 91 GLN H 91 GLN HB3 3.78 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat=1470,1475, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 91 GLN H 91 GLN HG2 3.36 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat=1470,1477, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 91 GLN H 91 GLN HG3 3.60 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat=1470,1478, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 91 GLN H 92 ILE HA 5.26 (#SUP 0.65 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat=1470,1489, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 91 GLN H 92 ILE H 3.31 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1470,1487, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 91 GLN H 91 GLN HE22 4.50 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1470,1483, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 90 SER H 91 GLN H 3.91 (#SUP 0.48 #QF 0.48)
&rst
ixpk= 0, nxpk= 0, iat=1459,1470, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 22 ASP H 24 ASP H 3.96 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 361, 397, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 35 GLU H 37 ILE H 4.43 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 556, 590, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 16 PHE HZ 37 ILE H 5.35 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 262, 590, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 37 ILE H 39 PHE QD 5.50 (#SUP 0.55 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 639, 647,
&end
#
# 53 TYR H 54 ILE H 3.36 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 866, 887, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 51 CYS H 53 TYR H 4.46 (#SUP 0.96 #QF 0.40)
&rst
ixpk= 0, nxpk= 0, iat= 835, 866, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 17 TYR QD 78 VAL H 5.50 (#SUP 0.99 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat= -1,1243, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 278, 287,
&end
#
# 53 TYR H 53 TYR QD 3.73 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= 866, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 874, 883,
&end
#
# 52 TYR QD 53 TYR H 4.15 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1, 866, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 853, 862,
&end
#
# 64 ILE H 66 ASN H 5.14 (#SUP 0.87 #QF 0.49)
&rst
ixpk= 0, nxpk= 0, iat=1017,1055, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 78 VAL H 81 ILE H 5.49 (#SUP 0.87 #QF 0.49)
&rst
ixpk= 0, nxpk= 0, iat=1243,1296, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 53 TYR H 53 TYR HB2 3.48 (#SUP 0.64 #QF 0.64)
&rst
ixpk= 0, nxpk= 0, iat= 866, 870, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 77 PRO HB2 78 VAL H 3.75 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat=1236,1243, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 77 PRO QG 78 VAL H 3.29 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= -1,1243, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr1=1233,1234,
&end
#
# 53 TYR H 54 ILE QG1 3.84 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat= 866, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 897, 898,
&end
#
# 85 LEU H 85 LEU HB3 4.18 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat=1362,1367, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 78 VAL H 78 VAL QG1 2.87 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat=1243, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr2=1249,1250,1251,
&end
#
# 78 VAL H 81 ILE QD1 3.51 (#SUP 0.63 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat=1243, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=1309,1310,1311,
&end
#
# 85 LEU H 85 LEU QD1 4.31 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat=1362, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=1371,1372,1373,
&end
#
# 85 LEU H 85 LEU QD2 4.31 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat=1362, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=1375,1376,1377,
&end
#
# 53 TYR H 56 ALA H 5.50 (#SUP 0.64 #QF 0.64)
&rst
ixpk= 0, nxpk= 0, iat= 866, 913, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 ASP H 58 ASP HB3 3.74 (#SUP 0.53 #QF 0.53)
&rst
ixpk= 0, nxpk= 0, iat= 937, 942, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 58 ASP H 58 ASP HB2 3.74 (#SUP 0.63 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat= 937, 941, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 96 LYS QE 97 TYR H 5.04 (#SUP 0.47 #QF 0.47)
&rst
ixpk= 0, nxpk= 0, iat= -1,1572, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1563,1564,
&end
#
# 96 LYS HB3 97 TYR H 4.38 (#SUP 0.52 #QF 0.52)
&rst
ixpk= 0, nxpk= 0, iat=1555,1572, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 57 THR QG2 58 ASP H 4.10 (#SUP 0.59 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat= -1, 937, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 929, 930, 931,
&end
#
# 57 THR HA 58 ASP H 3.24 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat= 925, 937, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 96 LYS H 97 TYR H 4.61 (#SUP 0.45 #QF 0.45)
&rst
ixpk= 0, nxpk= 0, iat=1550,1572, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 16 PHE HA 19 ASP H 3.94 (#SUP 0.64 #QF 0.64)
&rst
ixpk= 0, nxpk= 0, iat= 252, 308, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 17 TYR HA 19 ASP H 4.91 (#SUP 0.59 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat= 272, 308, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 15 ARG HA 19 ASP H 4.47 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= 228, 308, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 19 ASP H 20 LEU HB2 5.05 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat= 308, 324, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 19 ASP H 39 PHE QE 5.36 (#SUP 0.93 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 641, 645,
&end
#
# 19 ASP H 23 ARG HE 5.50 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= 308, 386, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 TYR H 19 ASP H 4.82 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 270, 308, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 16 PHE H 19 ASP H 5.05 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 250, 308, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 19 ASP H 20 LEU H 3.14 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 308, 320, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 111 LEU H 111 LEU QD2 4.25 (#SUP 0.47 #QF 0.47)
&rst
ixpk= 0, nxpk= 0, iat=1810, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1823,1824,1825,
&end
#
# 110 LYS QE 111 LEU H 4.53 (#SUP 0.55 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat= -1,1810, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=1801,1802,
&end
#
# 108 LEU HA 111 LEU H 3.54 (#SUP 0.65 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat=1749,1810, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 71 PRO HA 74 HIS HD2 4.29 (#SUP 0.42 #QF 0.42)
&rst
ixpk= 0, nxpk= 0, iat=1143,1189, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 110 LYS H 111 LEU H 2.70 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1788,1810, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 72 LEU H 74 HIS HD2 4.23 (#SUP 0.25 #QF 0.25)
&rst
ixpk= 0, nxpk= 0, iat=1147,1189, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 111 LEU H 112 ARG H 4.61 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1810,1829, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 71 PRO QD 74 HIS HD2 5.50 (#SUP 0.30 #QF 0.30)
&rst
ixpk= 0, nxpk= 0, iat= -1,1189, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1134,1135,
&end
#
# 70 LYS H 70 LYS HG2 3.90 (#SUP 0.60 #QF 0.60)
&rst
ixpk= 0, nxpk= 0, iat=1111,1118, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 70 LYS H 70 LYS HG3 3.50 (#SUP 0.58 #QF 0.58)
&rst
ixpk= 0, nxpk= 0, iat=1111,1119, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 70 LYS H 70 LYS HB2 3.20 (#SUP 0.64 #QF 0.64)
&rst
ixpk= 0, nxpk= 0, iat=1111,1115, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 70 LYS H 71 PRO QD 3.00 (#SUP 0.50 #QF 0.50)
&rst
ixpk= 0, nxpk= 0, iat=1111, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1134,1135,
&end
#
# 68 VAL H 70 LYS H 4.34 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1084,1111, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 69 SER H 70 LYS H 3.63 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1100,1111, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 24 ASP H 25 VAL QG1 4.01 (#SUP 0.60 #QF 0.60)
&rst
ixpk= 0, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 415, 416, 417,
&end
#
# 24 ASP H 24 ASP HB2 3.23 (#SUP 0.65 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat= 397, 401, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 24 ASP H 24 ASP HA 2.57 (#SUP 0.61 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat= 397, 399, r1= 1.30, r2= 1.80, r3= 2.57, r4= 3.07, &end
#
# 23 ARG H 24 ASP H 2.80 (#SUP 0.98 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat= 373, 397, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 85 LEU H 86 LYS H 3.44 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1362,1381, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 141 ASN H 142 GLU H 3.04 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=2315,2329, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 142 GLU H 144 MET H 3.64 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=2329,2363, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 142 GLU H 143 LEU H 2.90 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=2329,2344, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 123 TRP HE3 125 GLU H 4.36 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat=2050,2062, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 121 ASP HA 125 GLU H 4.15 (#SUP 0.56 #QF 0.56)
&rst
ixpk= 0, nxpk= 0, iat=2009,2062, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 124 GLY HA2 125 GLU H 3.34 (#SUP 0.59 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat=2057,2062, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 120 LEU HA 125 GLU H 3.78 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat=1990,2062, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 141 ASN HB2 142 GLU H 3.33 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat=2319,2329, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 141 ASN HB3 142 GLU H 3.97 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat=2320,2329, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 125 GLU H 125 GLU HB3 3.56 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat=2062,2067, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 125 GLU H 125 GLU HB2 3.01 (#SUP 0.63 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat=2062,2066, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 86 LYS H 86 LYS HB3 3.71 (#SUP 0.51 #QF 0.37)
&rst
ixpk= 0, nxpk= 0, iat=1381,1386, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 86 LYS H 86 LYS QG 3.56 (#SUP 0.54 #QF 0.54)
&rst
ixpk= 0, nxpk= 0, iat=1381, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1388,1389,
&end
#
# 85 LEU QD1 86 LYS H 5.08 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= -1,1381, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=1371,1372,1373,
&end
#
# 120 LEU QD2 125 GLU H 5.07 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= -1,2062, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=2001,2002,2003,
&end
#
# 86 LYS H 86 LYS HB2 3.71 (#SUP 0.58 #QF 0.58)
&rst
ixpk= 0, nxpk= 0, iat=1381,1385, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 123 TRP HB2 125 GLU H 3.68 (#SUP 0.52 #QF 0.52)
&rst
ixpk= 0, nxpk= 0, iat=2035,2062, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 4 GLY H 5 ASP H 4.45 (#SUP 0.32 #QF 0.32)
&rst
ixpk= 0, nxpk= 0, iat= 79, 86, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 123 TRP H 123 TRP HB2 2.98 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat=2031,2035, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 122 ASP HB2 123 TRP H 4.17 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat=2023,2031, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 123 TRP H 123 TRP HB3 3.73 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat=2031,2036, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 120 LEU HA 123 TRP H 3.74 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat=1990,2031, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 121 ASP HA 123 TRP H 4.36 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat=2009,2031, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 123 TRP H 123 TRP HD1 3.67 (#SUP 0.72 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat=2031,2039, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 123 TRP H 123 TRP HE3 4.52 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=2031,2050, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 122 ASP H 123 TRP H 2.99 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=2019,2031, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 123 TRP H 125 GLU H 3.74 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2031,2062, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 120 LEU H 123 TRP H 5.38 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1988,2031, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 119 ILE HA 123 TRP H 5.00 (#SUP 0.63 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat=1971,2031, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 33 GLU H 65 ILE QD1 4.27 (#SUP 0.54 #QF 0.54)
&rst
ixpk= 0, nxpk= 0, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1049,1050,1051,
&end
#
# 31 THR QG2 33 GLU H 5.06 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 500, 501, 502,
&end
#
# 32 ILE HG13 33 GLU H 4.34 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat= 519, 527, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 32 ILE HB 33 GLU H 3.49 (#SUP 0.52 #QF 0.52)
&rst
ixpk= 0, nxpk= 0, iat= 512, 527, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 33 GLU H 33 GLU HG3 3.03 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 527, 535, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 33 GLU H 33 GLU HG2 3.43 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat= 527, 534, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 33 GLU H 34 ASN HB2 5.48 (#SUP 0.60 #QF 0.60)
&rst
ixpk= 0, nxpk= 0, iat= 527, 546, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 33 GLU H 69 SER HB3 3.91 (#SUP 0.95 #QF 0.58)
&rst
ixpk= 0, nxpk= 0, iat= 527,1105, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 30 ALA HA 33 GLU H 3.96 (#SUP 0.31 #QF 0.31)
&rst
ixpk= 0, nxpk= 0, iat= 486, 527, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 33 GLU H 69 SER HA 4.35 (#SUP 0.65 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat= 527,1102, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 33 GLU H 69 SER HB2 3.91 (#SUP 0.69 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat= 527,1104, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 149 PRO QG 150 LYS H 4.08 (#SUP 0.57 #QF 0.33)
&rst
ixpk= 0, nxpk= 0, iat= -1,2461, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=2451,2452,
&end
#
# 148 ALA QB 150 LYS H 4.90 (#SUP 0.92 #QF 0.53)
&rst
ixpk= 0, nxpk= 0, iat= -1,2461, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=2441,2442,2443,
&end
#
# 33 GLU H 36 LEU H 5.50 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 527, 571, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 ILE QD1 33 GLU H 4.59 (#SUP 0.65 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 521, 522, 523,
&end
#
# 139 LYS H 140 ILE H 3.21 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=2274,2296, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 138 ARG HA 140 ILE H 4.91 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat=2252,2296, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 137 ILE HA 140 ILE H 4.05 (#SUP 0.60 #QF 0.60)
&rst
ixpk= 0, nxpk= 0, iat=2233,2296, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 139 LYS QG 140 ILE H 3.77 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= -1,2296, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1=2281,2282,
&end
#
# 140 ILE H 140 ILE HG13 3.36 (#SUP 0.59 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat=2296,2307, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 15 ARG H 17 TYR H 4.85 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 226, 270, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 16 PHE H 17 TYR H 3.41 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 250, 270, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 32 ILE H 33 GLU H 3.39 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 508, 527, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 17 TYR H 39 PHE QE 5.49 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 270, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2= 641, 645,
&end
#
# 17 TYR H 17 TYR QB 3.20 (#SUP 0.42 #QF 0.42)
&rst
ixpk= 0, nxpk= 0, iat= 270, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 274, 275,
&end
#
# 16 PHE HB3 17 TYR H 3.68 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= 255, 270, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 17 TYR H 18 GLN HA 5.41 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 270, 293, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 14 GLY HA2 17 TYR H 4.76 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 221, 270, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 13 LEU HB3 17 TYR H 4.91 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat= 205, 270, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 137 ILE H 137 ILE QD1 3.57 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat=2231, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=2244,2245,2246,
&end
#
# 133 LYS QG 137 ILE H 4.09 (#SUP 0.67 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat= -1,2231, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1=2172,2173,
&end
#
# 137 ILE H 137 ILE HB 2.74 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat=2231,2235, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24, &end
#
# 136 TYR HB3 137 ILE H 3.86 (#SUP 0.69 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat=2215,2231, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 133 LYS HA 137 ILE H 4.40 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=2167,2231, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 134 SER HA 137 ILE H 3.45 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat=2189,2231, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 136 TYR QD 137 ILE H 4.13 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat= -1,2231, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=2218,2227,
&end
#
# 135 ASP H 137 ILE H 4.46 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=2198,2231, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 137 ILE H 140 ILE H 4.89 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=2231,2296, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 73 ALA H 75 HIS H 4.24 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1166,1193, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 37 ILE H 38 LYS H 3.26 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 590, 609, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 84 LYS H 85 LEU H 3.30 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1340,1362, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 82 CYS H 84 LYS H 4.39 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1315,1340, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 38 LYS H 40 CYS H 4.92 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 609, 651, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 48 ASN H 50 LEU H 4.34 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat= 778, 816, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 36 LEU H 38 LYS H 5.09 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 571, 609, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 73 ALA H 73 ALA QB 2.83 (#SUP 0.33 #QF 0.33)
&rst
ixpk= 0, nxpk= 0, iat=1166, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr2=1170,1171,1172,
&end
#
# 72 LEU H 72 LEU QD2 3.93 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat=1147, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1160,1161,1162,
&end
#
# 32 ILE QD1 73 ALA H 3.58 (#SUP 0.52 #QF 0.52)
&rst
ixpk= 0, nxpk= 0, iat= -1,1166, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 521, 522, 523,
&end
#
# 72 LEU HB2 73 ALA H 3.23 (#SUP 0.37 #QF 0.37)
&rst
ixpk= 0, nxpk= 0, iat=1151,1166, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 32 ILE HG13 73 ALA H 5.16 (#SUP 0.74 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat= 519,1166, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 71 PRO HB2 72 LEU H 3.28 (#SUP 0.59 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat=1140,1147, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 71 PRO QD 72 LEU H 3.57 (#SUP 0.46 #QF 0.46)
&rst
ixpk= 0, nxpk= 0, iat= -1,1147, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1=1134,1135,
&end
#
# 68 VAL HA 72 LEU H 4.09 (#SUP 0.65 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat=1086,1147, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 72 LEU H 72 LEU HB2 2.86 (#SUP 0.51 #QF 0.51)
&rst
ixpk= 0, nxpk= 0, iat=1147,1151, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 71 PRO HB3 72 LEU H 4.16 (#SUP 0.54 #QF 0.54)
&rst
ixpk= 0, nxpk= 0, iat=1141,1147, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 72 LEU H 75 HIS H 4.52 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1147,1193, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 48 ASN H 48 ASN HD22 4.19 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 778, 788, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 48 ASN H 48 ASN HD21 4.59 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 778, 787, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 48 ASN H 49 ARG HA 5.22 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 778, 794, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 47 GLU HB3 48 ASN H 4.22 (#SUP 0.63 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat= 768, 778, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 44 ARG HB3 48 ASN H 4.75 (#SUP 0.87 #QF 0.58)
&rst
ixpk= 0, nxpk= 0, iat= 715, 778, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 48 ASN H 49 ARG QB 4.97 (#SUP 0.87 #QF 0.58)
&rst
ixpk= 0, nxpk= 0, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 796, 797,
&end
#
# 44 ARG QG 48 ASN H 4.84 (#SUP 0.48 #QF 0.48)
&rst
ixpk= 0, nxpk= 0, iat= -1, 778, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 717, 718,
&end
#
# 48 ASN H 50 LEU HG 4.37 (#SUP 0.74 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat= 778, 823, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 47 GLU HB2 48 ASN H 3.47 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= 767, 778, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 84 LYS H 84 LYS HB2 2.82 (#SUP 0.59 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat=1340,1344, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, &end
#
# 84 LYS H 84 LYS HB3 3.98 (#SUP 0.82 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat=1340,1345, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 84 LYS H 84 LYS HD2 4.38 (#SUP 0.82 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat=1340,1350, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 81 ILE QG2 84 LYS H 5.03 (#SUP 0.63 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=1302,1303,1304,
&end
#
# 50 LEU H 50 LEU HB3 3.32 (#SUP 0.63 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat= 816, 821, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 50 LEU H 50 LEU HG 3.61 (#SUP 0.64 #QF 0.64)
&rst
ixpk= 0, nxpk= 0, iat= 816, 823, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 50 LEU H 50 LEU HB2 3.62 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 816, 820, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 50 LEU H 50 LEU QD1 4.34 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= 816, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 825, 826, 827,
&end
#
# 47 GLU HA 50 LEU H 3.66 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= 765, 816, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 137 ILE QD1 138 ARG H 4.73 (#SUP 0.50 #QF 0.50)
&rst
ixpk= 0, nxpk= 0, iat= -1,2250, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=2244,2245,2246,
&end
#
# 137 ILE HB 138 ARG H 2.93 (#SUP 0.61 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat=2235,2250, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 138 ARG H 138 ARG HG3 3.98 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=2250,2258, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 138 ARG H 138 ARG QD 4.01 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat=2250, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=2260,2261,
&end
#
# 136 TYR H 138 ARG H 4.06 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2210,2250, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 138 ARG H 139 LYS H 3.20 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=2250,2274, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 135 ASP H 138 ARG H 5.05 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2198,2250, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 137 ILE H 138 ARG H 3.14 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2231,2250, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 138 ARG H 140 ILE H 4.00 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat=2250,2296, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 136 TYR HB2 138 ARG H 5.14 (#SUP 0.72 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat=2214,2250, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 64 ILE H 64 ILE QG2 4.07 (#SUP 0.85 #QF 0.34)
&rst
ixpk= 0, nxpk= 0, iat=1017, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1023,1024,1025,
&end
#
# 132 CYS H 131 ALA QB 5.50 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat=2130, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2144,2145,2146,
&end
#
# 118 LYS H 118 LYS HB2 2.99 (#SUP 0.50 #QF 0.50)
&rst
ixpk= 0, nxpk= 0, iat=1947,1951, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 118 LYS H 118 LYS HB3 2.99 (#SUP 0.44 #QF 0.44)
&rst
ixpk= 0, nxpk= 0, iat=1947,1952, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 118 LYS H 119 ILE QD1 4.74 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat=1947, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1982,1983,1984,
&end
#
# 118 LYS H 120 LEU QD2 4.63 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat=1947, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=2001,2002,2003,
&end
#
# 118 LYS H 119 ILE QG2 5.50 (#SUP 0.29 #QF 0.29)
&rst
ixpk= 0, nxpk= 0, iat=1947, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1975,1976,1977,
&end
#
# 118 LYS H 119 ILE HA 5.21 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1947,1971, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 117 LYS HA 118 LYS H 3.55 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat=1927,1947, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 116 LEU HA 118 LYS H 3.61 (#SUP 0.65 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat=1908,1947, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 118 LYS H 120 LEU H 4.64 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1947,1988, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 116 LEU H 118 LYS H 4.13 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1906,1947, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 117 LYS H 118 LYS H 2.90 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1925,1947, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 118 LYS H 121 ASP H 4.93 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1947,2007, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 119 ILE H 119 ILE HG13 3.59 (#SUP 0.59 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat=1969,1980, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 119 ILE H 119 ILE QD1 3.37 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=1969, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=1982,1983,1984,
&end
#
# 118 LYS QG 119 ILE H 4.13 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= -1,1969, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=1954,1955,
&end
#
# 119 ILE H 119 ILE HB 2.92 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat=1969,1973, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 119 ILE H 122 ASP HB2 5.50 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1969,2023, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 117 LYS HA 119 ILE H 4.60 (#SUP 0.60 #QF 0.60)
&rst
ixpk= 0, nxpk= 0, iat=1927,1969, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 87 LYS H 88 LYS H 3.13 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1403,1425, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 85 LEU HA 88 LYS H 3.82 (#SUP 0.38 #QF 0.38)
&rst
ixpk= 0, nxpk= 0, iat=1364,1425, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 87 LYS QB 88 LYS H 3.13 (#SUP 0.83 #QF 0.28)
&rst
ixpk= 0, nxpk= 0, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr1=1407,1408,
&end
#
# 85 LEU QD1 88 LYS H 4.41 (#SUP 0.27 #QF 0.27)
&rst
ixpk= 0, nxpk= 0, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1371,1372,1373,
&end
#
# 85 LEU QD2 88 LYS H 4.41 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1375,1376,1377,
&end
#
# 48 ASN H 49 ARG H 3.29 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 778, 792, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 136 TYR H 136 TYR QE 4.50 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat=2210, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2220,2225,
&end
#
# 136 TYR H 136 TYR QD 3.02 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat=2210, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr2=2218,2227,
&end
#
# 136 TYR H 137 ILE H 2.92 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=2210,2231, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 132 GLU H 136 TYR H 4.99 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2150,2210, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 131 ALA H 136 TYR H 5.50 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat=2140,2210, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 133 LYS HA 136 TYR H 3.55 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat=2167,2210, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 136 TYR H 136 TYR HB3 3.73 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat=2210,2215, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 133 LYS QG 136 TYR H 4.68 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat= -1,2210, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=2172,2173,
&end
#
# 132 GLU QG 136 TYR H 4.49 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat= -1,2210, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=2157,2158,
&end
#
# 48 ASN HB3 49 ARG H 4.21 (#SUP 0.65 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat= 783, 792, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 20 LEU HA 25 VAL H 4.28 (#SUP 0.50 #QF 0.50)
&rst
ixpk= 0, nxpk= 0, iat= 322, 409, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 27 PHE HB2 28 SER H 3.83 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 443, 459, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 27 PHE HA 28 SER H 2.60 (#SUP 0.54 #QF 0.54)
&rst
ixpk= 0, nxpk= 0, iat= 441, 459, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 28 SER H 28 SER HB3 3.80 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= 459, 464, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 24 ASP HA 25 VAL H 3.02 (#SUP 0.67 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat= 399, 409, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 28 SER H 31 THR HB 3.28 (#SUP 0.38 #QF 0.38)
&rst
ixpk= 0, nxpk= 0, iat= 459, 498, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 28 SER H 29 PRO HG3 4.53 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 459, 475, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 25 VAL H 25 VAL HB 2.94 (#SUP 0.46 #QF 0.46)
&rst
ixpk= 0, nxpk= 0, iat= 409, 413, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 25 VAL H 25 VAL QG1 2.82 (#SUP 0.72 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr2= 415, 416, 417,
&end
#
# 28 SER H 32 ILE QD1 3.86 (#SUP 0.50 #QF 0.50)
&rst
ixpk= 0, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 521, 522, 523,
&end
#
# 21 LYS QB 25 VAL H 5.02 (#SUP 0.57 #QF 0.57)
&rst
ixpk= 0, nxpk= 0, iat= -1, 409, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 343, 344,
&end
#
# 25 VAL H 27 PHE QE 4.77 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 449, 453,
&end
#
# 27 PHE QD 28 SER H 4.95 (#SUP 0.98 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat= -1, 459, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 447, 455,
&end
#
# 24 ASP H 25 VAL H 3.09 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 397, 409, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 25 VAL H 27 PHE H 4.26 (#SUP 0.43 #QF 0.43)
&rst
ixpk= 0, nxpk= 0, iat= 409, 439, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 22 ASP H 25 VAL H 5.23 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat= 361, 409, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 49 ARG H 50 LEU H 3.34 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 792, 816, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 46 LYS HA 49 ARG H 3.85 (#SUP 0.82 #QF 0.41)
&rst
ixpk= 0, nxpk= 0, iat= 743, 792, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 47 GLU HA 49 ARG H 4.56 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= 765, 792, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 48 ASN HB2 49 ARG H 4.21 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 782, 792, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 49 ARG H 49 ARG QB 3.34 (#SUP 0.67 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat= 792, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 796, 797,
&end
#
# 46 LYS QB 49 ARG H 5.27 (#SUP 0.79 #QF 0.60)
&rst
ixpk= 0, nxpk= 0, iat= -1, 792, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 745, 746,
&end
#
# 49 ARG H 50 LEU HG 3.39 (#SUP 0.67 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat= 792, 823, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 49 ARG H 50 LEU HB3 5.50 (#SUP 1.00 #QF 0.93)
&rst
ixpk= 1, nxpk= 0, iat= 792, 821, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 ARG H 95 LEU QD2 5.50 (#SUP 0.88 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= 792, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1544,1545,1546,
&end
#
# 115 GLU H 115 GLU HG3 3.33 (#SUP 0.58 #QF 0.58)
&rst
ixpk= 0, nxpk= 0, iat=1891,1899, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 115 GLU H 115 GLU HG2 3.02 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat=1891,1898, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 115 GLU H 115 GLU HB3 3.66 (#SUP 0.59 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat=1891,1896, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 114 LYS HB2 115 GLU H 3.16 (#SUP 0.50 #QF 0.50)
&rst
ixpk= 0, nxpk= 0, iat=1873,1891, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 115 GLU H 116 LEU H 2.76 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1891,1906, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26, &end
#
# 114 LYS H 115 GLU H 3.31 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1869,1891, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 112 ARG H 115 GLU H 3.72 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1829,1891, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 32 ILE H 35 GLU H 5.12 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 508, 556, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 34 ASN H 35 GLU H 3.26 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 542, 556, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 16 PHE HZ 35 GLU H 4.99 (#SUP 0.72 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat= 262, 556, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 32 ILE HA 35 GLU H 3.87 (#SUP 0.63 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat= 510, 556, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 35 GLU H 35 GLU HG2 3.39 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= 556, 563, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 35 GLU H 35 GLU HB2 3.62 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat= 556, 560, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 35 GLU H 35 GLU HB3 3.62 (#SUP 0.61 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat= 556, 561, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 35 GLU H 35 GLU HG3 3.39 (#SUP 0.61 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat= 556, 564, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 31 THR QG2 35 GLU H 4.23 (#SUP 0.67 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat= -1, 556, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 500, 501, 502,
&end
#
# 35 GLU H 38 LYS QD 4.34 (#SUP 0.56 #QF 0.56)
&rst
ixpk= 0, nxpk= 0, iat= 556, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 619, 620,
&end
#
# 20 LEU QD1 35 GLU H 5.10 (#SUP 0.33 #QF 0.33)
&rst
ixpk= 0, nxpk= 0, iat= -1, 556, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 329, 330, 331,
&end
#
# 30 ALA H 30 ALA QB 4.05 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat= 484, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 488, 489, 490,
&end
#
# 111 LEU HA 112 ARG H 2.64 (#SUP 0.54 #QF 0.54)
&rst
ixpk= 0, nxpk= 0, iat=1812,1829, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14, &end
#
# 112 ARG H 115 GLU HA 5.50 (#SUP 0.60 #QF 0.60)
&rst
ixpk= 0, nxpk= 0, iat=1829,1893, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 108 LEU HA 112 ARG H 5.50 (#SUP 0.51 #QF 0.51)
&rst
ixpk= 0, nxpk= 0, iat=1749,1829, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 112 ARG H 112 ARG QD 4.88 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1829, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1839,1840,
&end
#
# 112 ARG H 115 GLU HG2 3.96 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat=1829,1898, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 111 LEU HB2 112 ARG H 3.62 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat=1814,1829, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 112 ARG H 112 ARG HB2 2.96 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat=1829,1833, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 111 LEU HB3 112 ARG H 3.62 (#SUP 0.63 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat=1815,1829, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 131 ALA H 132 GLU H 2.76 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=2140,2150, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26, &end
#
# 132 GLU H 136 TYR QE 4.29 (#SUP 0.63 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat=2150, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=2220,2225,
&end
#
# 116 LEU H 117 LYS H 3.01 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1906,1925, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 132 GLU H 135 ASP HA 5.42 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=2150,2200, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 132 CYS HA 132 GLU H 3.97 (#SUP 0.61 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat=2132,2150, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 132 GLU H 132 GLU QG 2.81 (#SUP 0.52 #QF 0.52)
&rst
ixpk= 0, nxpk= 0, iat=2150, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr2=2157,2158,
&end
#
# 117 LYS H 120 LEU QD2 4.24 (#SUP 0.66 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat=1925, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=2001,2002,2003,
&end
#
# 116 LEU HB2 117 LYS H 3.59 (#SUP 0.72 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat=1910,1925, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 117 LYS H 117 LYS HB2 2.90 (#SUP 0.51 #QF 0.51)
&rst
ixpk= 0, nxpk= 0, iat=1925,1929, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 132 GLU H 132 GLU HB3 3.35 (#SUP 0.62 #QF 0.62)
&rst
ixpk= 0, nxpk= 0, iat=2150,2155, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 132 GLU H 135 ASP QB 3.14 (#SUP 0.36 #QF 0.36)
&rst
ixpk= 0, nxpk= 0, iat=2150, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2=2202,2203,
&end
#
# 114 LYS HA 117 LYS H 4.10 (#SUP 0.81 #QF 0.27)
&rst
ixpk= 0, nxpk= 0, iat=1871,1925, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 115 GLU HA 117 LYS H 4.71 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat=1893,1925, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 67 GLU H 69 SER H 4.24 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1069,1100, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 66 ASN H 67 GLU H 4.22 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat=1055,1069, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 65 ILE HA 67 GLU H 4.46 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1038,1069, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 67 GLU H 70 LYS HG3 4.71 (#SUP 0.56 #QF 0.56)
&rst
ixpk= 0, nxpk= 0, iat=1069,1119, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 65 ILE QG2 67 GLU H 4.70 (#SUP 0.95 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= -1,1069, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=1042,1043,1044,
&end
#
# 65 ILE QD1 67 GLU H 5.17 (#SUP 0.95 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= -1,1069, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=1049,1050,1051,
&end
#
# 47 GLU H 48 ASN H 3.23 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 763, 778, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 143 LEU H 147 TYR QE 5.50 (#SUP 0.55 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat=2344, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2426,2431,
&end
#
# 143 LEU H 147 TYR QD 5.50 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat=2344, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2424,2433,
&end
#
# 140 ILE HA 143 LEU H 3.77 (#SUP 0.26 #QF 0.26)
&rst
ixpk= 0, nxpk= 0, iat=2298,2344, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 143 LEU H 145 PRO HD3 5.20 (#SUP 0.67 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat=2344,2382, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 143 LEU H 143 LEU HG 3.68 (#SUP 0.54 #QF 0.54)
&rst
ixpk= 0, nxpk= 0, iat=2344,2351, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 143 LEU H 143 LEU QD2 3.84 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat=2344, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=2357,2358,2359,
&end
#
# 92 ILE H 92 ILE HG12 4.08 (#SUP 0.57 #QF 0.57)
&rst
ixpk= 0, nxpk= 0, iat=1487,1497, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 92 ILE H 92 ILE HG13 4.08 (#SUP 0.56 #QF 0.56)
&rst
ixpk= 0, nxpk= 0, iat=1487,1498, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 92 ILE H 92 ILE QG2 3.76 (#SUP 0.33 #QF 0.33)
&rst
ixpk= 0, nxpk= 0, iat=1487, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=1493,1494,1495,
&end
#
# 20 LEU QD1 21 LYS H 4.68 (#SUP 0.40 #QF 0.40)
&rst
ixpk= 0, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 329, 330, 331,
&end
#
# 20 LEU QD2 21 LYS H 4.68 (#SUP 0.63 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 333, 334, 335,
&end
#
# 10 ILE QD1 80 LYS H 4.78 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1,1274, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 162, 163, 164,
&end
#
# 80 LYS H 80 LYS HG2 3.84 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1274,1281, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 80 LYS H 80 LYS HB3 3.81 (#SUP 0.62 #QF 0.62)
&rst
ixpk= 0, nxpk= 0, iat=1274,1279, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 79 GLU HB3 80 LYS H 4.32 (#SUP 0.90 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat=1264,1274, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 77 PRO HB2 80 LYS H 5.45 (#SUP 0.54 #QF 0.54)
&rst
ixpk= 0, nxpk= 0, iat=1236,1274, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 80 LYS H 81 ILE HA 5.21 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1274,1298, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 79 GLU HG3 80 LYS H 4.36 (#SUP 0.64 #QF 0.64)
&rst
ixpk= 0, nxpk= 0, iat=1267,1274, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 80 LYS H 81 ILE H 3.43 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1274,1296, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 80 LYS H 82 CYS H 4.83 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1274,1315, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 78 VAL H 80 LYS H 5.26 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1243,1274, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 140 ILE HG13 141 ASN H 4.57 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat=2307,2315, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 139 LYS QG 141 ASN H 4.89 (#SUP 0.56 #QF 0.56)
&rst
ixpk= 0, nxpk= 0, iat= -1,2315, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=2281,2282,
&end
#
# 141 ASN H 141 ASN HB3 3.68 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat=2315,2320, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 141 ASN H 141 ASN HB2 2.90 (#SUP 0.53 #QF 0.53)
&rst
ixpk= 0, nxpk= 0, iat=2315,2319, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 137 ILE HA 141 ASN H 4.05 (#SUP 0.65 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat=2233,2315, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 141 ASN H 141 ASN HD21 4.20 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2315,2324, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 141 ASN H 141 ASN HD22 4.09 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2315,2325, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 139 LYS H 141 ASN H 4.54 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=2274,2315, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 138 ARG H 141 ASN H 4.61 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=2250,2315, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 88 LYS QD 89 ASP H 4.90 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat= -1,1447, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1435,1436,
&end
#
# 88 LYS H 89 ASP H 3.20 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1425,1447, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 89 ASP H 90 SER H 4.56 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat=1447,1459, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 47 GLU H 47 GLU HB2 3.42 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat= 763, 767, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 46 LYS QB 47 GLU H 3.79 (#SUP 0.31 #QF 0.31)
&rst
ixpk= 0, nxpk= 0, iat= -1, 763, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 745, 746,
&end
#
# 47 GLU H 49 ARG H 4.33 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 763, 792, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 44 ARG H 47 GLU H 4.48 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 710, 763, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 21 LYS H 27 PHE QE 4.33 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 449, 453,
&end
#
# 21 LYS H 27 PHE HZ 4.07 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 339, 451, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 108 LEU HA 110 LYS H 4.28 (#SUP 0.66 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat=1749,1788, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 110 LYS H 110 LYS QE 5.03 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1788, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2=1801,1802,
&end
#
# 92 ILE H 94 GLU HG3 5.43 (#SUP 0.56 #QF 0.56)
&rst
ixpk= 0, nxpk= 0, iat=1487,1524, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 21 LYS H 21 LYS HG2 3.19 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= 339, 346, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 91 GLN HB2 92 ILE H 3.88 (#SUP 0.42 #QF 0.21)
&rst
ixpk= 0, nxpk= 0, iat=1474,1487, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 109 LYS HB2 110 LYS H 3.06 (#SUP 0.37 #QF 0.37)
&rst
ixpk= 0, nxpk= 0, iat=1770,1788, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 81 ILE H 82 CYS H 3.24 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat=1296,1315, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 79 GLU HA 82 CYS H 5.21 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat=1261,1315, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 81 ILE HB 82 CYS H 3.38 (#SUP 0.63 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat=1300,1315, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 81 ILE QG2 82 CYS H 3.54 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= -1,1315, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=1302,1303,1304,
&end
#
# 22 ASP H 23 ARG H 3.22 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= 361, 373, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 23 ARG H 23 ARG HE 4.44 (#SUP 0.77 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat= 373, 386, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 21 LYS HA 23 ARG H 4.02 (#SUP 0.47 #QF 0.47)
&rst
ixpk= 0, nxpk= 0, iat= 341, 373, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 17 TYR HA 20 LEU H 3.87 (#SUP 0.54 #QF 0.54)
&rst
ixpk= 0, nxpk= 0, iat= 272, 320, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 16 PHE HA 20 LEU H 5.18 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= 252, 320, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 22 ASP HB2 23 ARG H 4.10 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat= 365, 373, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 19 ASP HB3 20 LEU H 4.02 (#SUP 0.42 #QF 0.24)
&rst
ixpk= 0, nxpk= 0, iat= 313, 320, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 22 ASP HB3 23 ARG H 4.10 (#SUP 0.42 #QF 0.24)
&rst
ixpk= 0, nxpk= 0, iat= 366, 373, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 20 LEU H 20 LEU HB2 3.16 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= 320, 324, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 23 ARG H 23 ARG QB 3.23 (#SUP 0.33 #QF 0.33)
&rst
ixpk= 0, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 377, 378,
&end
#
# 20 LEU H 20 LEU QD1 3.92 (#SUP 0.42 #QF 0.42)
&rst
ixpk= 0, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 329, 330, 331,
&end
#
# 114 LYS H 116 LEU H 4.44 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1869,1906, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 112 ARG H 114 LYS H 4.98 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1829,1869, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 112 ARG HA 114 LYS H 4.23 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat=1831,1869, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 114 LYS H 114 LYS QE 4.79 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat=1869, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1882,1883,
&end
#
# 112 ARG HB3 114 LYS H 3.73 (#SUP 0.42 #QF 0.42)
&rst
ixpk= 0, nxpk= 0, iat=1834,1869, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 113 VAL HB 114 LYS H 3.36 (#SUP 0.47 #QF 0.47)
&rst
ixpk= 0, nxpk= 0, iat=1857,1869, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 114 LYS H 114 LYS HB2 2.99 (#SUP 0.53 #QF 0.53)
&rst
ixpk= 0, nxpk= 0, iat=1869,1873, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 114 LYS H 114 LYS HG2 3.88 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1869,1876, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 114 LYS H 114 LYS HG3 3.88 (#SUP 0.72 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat=1869,1877, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 113 VAL QG1 114 LYS H 4.27 (#SUP 0.55 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat= -1,1869, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=1859,1860,1861,
&end
#
# 34 ASN H 37 ILE QD1 4.83 (#SUP 0.94 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 603, 604, 605,
&end
#
# 31 THR QG2 34 ASN H 4.62 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 500, 501, 502,
&end
#
# 32 ILE HB 34 ASN H 4.88 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= 512, 542, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 33 GLU HB2 34 ASN H 3.56 (#SUP 0.90 #QF 0.43)
&rst
ixpk= 0, nxpk= 0, iat= 531, 542, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 33 GLU HG3 34 ASN H 3.73 (#SUP 0.90 #QF 0.43)
&rst
ixpk= 0, nxpk= 0, iat= 535, 542, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 33 GLU HG2 34 ASN H 4.35 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= 534, 542, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 34 ASN H 34 ASN HB3 3.04 (#SUP 0.65 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat= 542, 547, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 34 ASN H 34 ASN HB2 2.90 (#SUP 0.45 #QF 0.45)
&rst
ixpk= 0, nxpk= 0, iat= 542, 546, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 31 THR HA 34 ASN H 3.95 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 496, 542, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 33 GLU H 34 ASN H 3.17 (#SUP 0.96 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat= 527, 542, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 32 ILE H 34 ASN H 4.39 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 508, 542, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 34 ASN H 36 LEU H 4.76 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 542, 571, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 17 TYR H 18 GLN H 3.31 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 270, 291, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 16 PHE H 18 GLN H 4.24 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 250, 291, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 15 ARG H 18 GLN H 5.04 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= 226, 291, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 18 GLN H 20 LEU H 4.22 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat= 291, 320, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 17 TYR QD 18 GLN H 3.99 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat= -1, 291, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 278, 287,
&end
#
# 15 ARG HA 18 GLN H 3.70 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat= 228, 291, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 14 GLY HA2 18 GLN H 4.79 (#SUP 0.55 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat= 221, 291, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 16 PHE HA 18 GLN H 4.31 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 252, 291, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 17 TYR QB 18 GLN H 3.67 (#SUP 0.61 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat= -1, 291, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 274, 275,
&end
#
# 18 GLN H 18 GLN QG 3.80 (#SUP 0.72 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat= 291, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 298, 299,
&end
#
# 18 GLN H 18 GLN HB2 3.14 (#SUP 0.56 #QF 0.56)
&rst
ixpk= 0, nxpk= 0, iat= 291, 295, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 18 GLN H 18 GLN HB3 3.14 (#SUP 0.61 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat= 291, 296, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 18 GLN H 20 LEU HB2 5.19 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= 291, 324, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 18 GLN H 78 VAL QG1 5.31 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= 291, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2=1249,1250,1251,
&end
#
# 16 PHE HB3 18 GLN H 4.88 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= 255, 291, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 48 ASN H 51 CYS H 5.29 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 778, 835, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 49 ARG H 51 CYS H 4.34 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= 792, 835, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 51 CYS H 51 CYS HB3 3.98 (#SUP 0.58 #QF 0.58)
&rst
ixpk= 0, nxpk= 0, iat= 835, 840, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 50 LEU HB2 51 CYS H 3.88 (#SUP 0.53 #QF 0.53)
&rst
ixpk= 0, nxpk= 0, iat= 820, 835, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 51 CYS H 54 ILE QG1 4.51 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= 835, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 897, 898,
&end
#
# 50 LEU HB3 51 CYS H 4.32 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= 821, 835, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 51 CYS H 57 THR QG2 4.18 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= 835, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 929, 930, 931,
&end
#
# 59 ASP H 60 ALA HA 4.99 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat= 949, 963, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 52 TYR HA 59 ASP H 5.50 (#SUP 0.54 #QF 0.54)
&rst
ixpk= 0, nxpk= 0, iat= 847, 949, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 SER H 70 LYS HA 5.02 (#SUP 0.59 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat=1100,1113, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 69 SER H 71 PRO QD 4.50 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat=1100, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1134,1135,
&end
#
# 40 CYS H 40 CYS HB2 3.43 (#SUP 0.60 #QF 0.60)
&rst
ixpk= 0, nxpk= 0, iat= 651, 655, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 39 PHE HB2 40 CYS H 3.57 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 635, 651, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 38 LYS HA 40 CYS H 5.24 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat= 611, 651, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 40 CYS H 41 ARG HA 5.40 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat= 651, 663, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 59 ASP H 59 ASP HB2 3.79 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat= 949, 953, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 59 ASP H 59 ASP HB3 3.79 (#SUP 0.65 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat= 949, 954, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 68 VAL HB 69 SER H 3.48 (#SUP 0.53 #QF 0.53)
&rst
ixpk= 0, nxpk= 0, iat=1088,1100, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 32 ILE HB 69 SER H 5.50 (#SUP 0.63 #QF 0.24)
&rst
ixpk= 0, nxpk= 0, iat= 512,1100, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 SER H 70 LYS HB2 5.50 (#SUP 0.63 #QF 0.24)
&rst
ixpk= 0, nxpk= 0, iat=1100,1115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 CYS H 40 CYS HB3 3.43 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat= 651, 656, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 39 PHE HB3 40 CYS H 3.60 (#SUP 0.60 #QF 0.60)
&rst
ixpk= 0, nxpk= 0, iat= 636, 651, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 37 ILE QD1 40 CYS H 5.48 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 603, 604, 605,
&end
#
# 40 CYS H 56 ALA QB 3.89 (#SUP 0.65 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat= 651, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 917, 918, 919,
&end
#
# 65 ILE QD1 69 SER H 4.05 (#SUP 0.42 #QF 0.42)
&rst
ixpk= 0, nxpk= 0, iat= -1,1100, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1049,1050,1051,
&end
#
# 57 THR QG2 59 ASP H 4.35 (#SUP 0.64 #QF 0.64)
&rst
ixpk= 0, nxpk= 0, iat= -1, 949, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 929, 930, 931,
&end
#
# 59 ASP H 60 ALA QB 3.98 (#SUP 0.69 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat= 949, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 965, 966, 967,
&end
#
# 69 SER H 70 LYS HG2 5.22 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1100,1118, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 58 ASP HA 59 ASP H 3.21 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 939, 949, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 66 ASN HA 69 SER H 4.02 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat=1057,1100, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 59 ASP H 60 ALA H 3.05 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 949, 961, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 39 PHE QD 40 CYS H 4.87 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 639, 647,
&end
#
# 37 ILE H 40 CYS H 4.77 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 590, 651, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 58 ASP H 59 ASP H 3.83 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 937, 949, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 120 LEU H 122 ASP H 4.34 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1988,2019, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 119 ILE QD1 120 LEU H 4.53 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= -1,1988, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=1982,1983,1984,
&end
#
# 120 LEU H 120 LEU QD1 3.34 (#SUP 0.69 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat=1988, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1997,1998,1999,
&end
#
# 120 LEU H 120 LEU QD2 3.40 (#SUP 0.57 #QF 0.57)
&rst
ixpk= 0, nxpk= 0, iat=1988, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2=2001,2002,2003,
&end
#
# 120 LEU H 120 LEU HB3 3.27 (#SUP 0.62 #QF 0.62)
&rst
ixpk= 0, nxpk= 0, iat=1988,1993, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 119 ILE HB 120 LEU H 2.79 (#SUP 0.43 #QF 0.43)
&rst
ixpk= 0, nxpk= 0, iat=1973,1988, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29, &end
#
# 120 LEU H 120 LEU HB2 3.55 (#SUP 0.65 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat=1988,1992, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 120 LEU H 121 ASP HB3 5.50 (#SUP 0.57 #QF 0.57)
&rst
ixpk= 0, nxpk= 0, iat=1988,2012, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 117 LYS HA 120 LEU H 4.35 (#SUP 0.61 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat=1927,1988, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 118 LYS HA 120 LEU H 5.09 (#SUP 0.66 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat=1949,1988, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 120 LEU H 121 ASP HA 5.45 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat=1988,2009, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 119 ILE H 120 LEU H 3.31 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1969,1988, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 147 TYR H 147 TYR QD 3.46 (#SUP 0.72 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat=2416, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=2424,2433,
&end
#
# 146 LYS HA 147 TYR H 3.53 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat=2396,2416, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 145 PRO HD3 147 TYR H 5.35 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat=2382,2416, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 147 TYR H 147 TYR HB3 3.70 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat=2416,2421, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 146 LYS HD3 147 TYR H 4.45 (#SUP 0.91 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat=2405,2416, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 147 TYR H 148 ALA QB 4.71 (#SUP 0.91 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat=2416, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=2441,2442,2443,
&end
#
# 147 TYR H 147 TYR HB2 3.07 (#SUP 0.62 #QF 0.62)
&rst
ixpk= 0, nxpk= 0, iat=2416,2420, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 147 TYR H 149 PRO QG 5.15 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat=2416, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=2451,2452,
&end
#
# 146 LYS H 147 TYR H 3.03 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2394,2416, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 31 THR H 32 ILE H 3.05 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 494, 508, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 31 THR H 33 GLU H 4.90 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 494, 527, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 30 ALA H 31 THR H 3.78 (#SUP 0.61 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat= 484, 494, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 28 SER H 31 THR H 4.49 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 459, 494, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 146 LYS H 147 TYR QD 4.86 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat=2394, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=2424,2433,
&end
#
# 31 THR H 31 THR HB 2.96 (#SUP 0.54 #QF 0.54)
&rst
ixpk= 0, nxpk= 0, iat= 494, 498, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 31 THR H 31 THR HA 2.93 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat= 494, 496, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 146 LYS H 146 LYS HB3 2.96 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat=2394,2399, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 146 LYS H 146 LYS HD3 2.86 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat=2394,2405, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 145 PRO HB3 146 LYS H 3.75 (#SUP 0.65 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat=2388,2394, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 145 PRO HG2 146 LYS H 3.65 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=2384,2394, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 145 PRO HG3 146 LYS H 3.75 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat=2385,2394, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 145 PRO HB2 146 LYS H 3.78 (#SUP 0.61 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat=2387,2394, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 31 THR H 32 ILE HG12 4.90 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat= 494, 518, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 67 GLU H 68 VAL H 3.28 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1069,1084, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 68 VAL H 69 SER H 3.07 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1084,1100, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 66 ASN HA 68 VAL H 4.05 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat=1057,1084, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 65 ILE HA 68 VAL H 3.91 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat=1038,1084, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 68 VAL H 71 PRO QD 4.34 (#SUP 0.56 #QF 0.56)
&rst
ixpk= 0, nxpk= 0, iat=1084, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2=1134,1135,
&end
#
# 66 ASN HB3 68 VAL H 5.50 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1060,1084, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 VAL H 68 VAL HB 3.09 (#SUP 0.52 #QF 0.52)
&rst
ixpk= 0, nxpk= 0, iat=1084,1088, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 68 VAL H 68 VAL QG1 3.87 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1084, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1090,1091,1092,
&end
#
# 75 HIS H 76 ILE H 3.16 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1193,1210, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 75 HIS H 75 HIS HD2 4.49 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat=1193,1206, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 75 HIS H 77 PRO HD2 4.00 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat=1193,1230, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 74 HIS HB3 75 HIS H 4.18 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat=1181,1193, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 75 HIS H 75 HIS HB2 4.05 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat=1193,1197, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 75 HIS H 75 HIS HB3 4.05 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat=1193,1198, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 74 HIS HB2 75 HIS H 4.07 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat=1180,1193, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 72 LEU HB2 75 HIS H 5.50 (#SUP 0.90 #QF 0.64)
&rst
ixpk= 0, nxpk= 0, iat=1151,1193, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 LEU HG 75 HIS H 5.50 (#SUP 0.90 #QF 0.64)
&rst
ixpk= 0, nxpk= 0, iat=1154,1193, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 HIS H 76 ILE HG13 3.85 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat=1193,1221, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 72 LEU HB3 75 HIS H 4.90 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1152,1193, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 104 SER H 105 THR H 3.43 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1694,1705, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 103 LEU H 104 SER H 3.31 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1675,1694, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 102 ASP HA 104 SER H 3.62 (#SUP 0.64 #QF 0.64)
&rst
ixpk= 0, nxpk= 0, iat=1665,1694, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 104 SER H 104 SER HB2 3.15 (#SUP 0.65 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat=1694,1698, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 104 SER H 104 SER HB3 3.15 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat=1694,1699, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 103 LEU HB2 104 SER H 3.52 (#SUP 0.66 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat=1679,1694, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 103 LEU HB3 104 SER H 3.93 (#SUP 0.61 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat=1680,1694, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 101 ILE HG12 104 SER H 4.46 (#SUP 0.61 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat=1654,1694, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 101 ILE HG13 104 SER H 4.46 (#SUP 0.66 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat=1655,1694, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 101 ILE QD1 104 SER H 3.93 (#SUP 0.67 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat= -1,1694, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1657,1658,1659,
&end
#
# 13 LEU H 13 LEU QD1 4.01 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 209, 210, 211,
&end
#
# 13 LEU H 13 LEU QD2 3.33 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 213, 214, 215,
&end
#
# 13 LEU H 13 LEU HB3 3.59 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat= 200, 205, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 13 LEU H 13 LEU HG 4.20 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= 200, 207, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 13 LEU H 16 PHE HB3 4.62 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 200, 255, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 12 TYR HB3 13 LEU H 3.96 (#SUP 0.41 #QF 0.41)
&rst
ixpk= 0, nxpk= 0, iat= 184, 200, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 13 LEU H 14 GLY HA2 5.31 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= 200, 221, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 12 TYR QD 13 LEU H 4.22 (#SUP 0.51 #QF 0.51)
&rst
ixpk= 0, nxpk= 0, iat= -1, 200, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 187, 196,
&end
#
# 13 LEU H 14 GLY H 3.58 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 200, 219, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 42 GLU H 42 GLU HG3 3.43 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat= 685, 693, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 41 ARG HG2 42 GLU H 3.33 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= 668, 685, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 41 ARG HG3 42 GLU H 3.33 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 669, 685, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 39 PHE HA 42 GLU H 3.90 (#SUP 0.55 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat= 633, 685, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 41 ARG H 42 GLU H 2.98 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 661, 685, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 40 CYS H 42 GLU H 4.75 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 651, 685, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 39 PHE H 42 GLU H 5.23 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 631, 685, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 41 ARG QD 42 GLU H 4.41 (#SUP 0.67 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat= -1, 685, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 671, 672,
&end
#
# 87 LYS H 87 LYS QB 2.80 (#SUP 0.52 #QF 0.52)
&rst
ixpk= 0, nxpk= 0, iat=1403, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1407,1408,
&end
#
# 86 LYS QG 87 LYS H 4.56 (#SUP 0.89 #QF 0.52)
&rst
ixpk= 0, nxpk= 0, iat= -1,1403, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1388,1389,
&end
#
# 87 LYS H 87 LYS QG 4.88 (#SUP 0.89 #QF 0.52)
&rst
ixpk= 0, nxpk= 0, iat=1403, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1410,1411,
&end
#
# 85 LEU QD1 87 LYS H 5.50 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat= -1,1403, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1371,1372,1373,
&end
#
# 86 LYS QE 87 LYS H 5.20 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat= -1,1403, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1394,1395,
&end
#
# 87 LYS H 88 LYS HA 5.18 (#SUP 0.74 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat=1403,1427, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 86 LYS H 87 LYS H 3.26 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1381,1403, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 85 LEU H 87 LYS H 4.60 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1362,1403, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 74 HIS H 75 HIS H 2.95 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1176,1193, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 73 ALA H 74 HIS H 3.10 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1166,1176, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 74 HIS H 74 HIS HD2 3.84 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat=1176,1189, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 71 PRO HA 74 HIS H 3.62 (#SUP 0.51 #QF 0.51)
&rst
ixpk= 0, nxpk= 0, iat=1143,1176, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 74 HIS H 75 HIS HA 4.53 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1176,1195, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 74 HIS H 74 HIS HB3 3.75 (#SUP 0.74 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat=1176,1181, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 74 HIS H 74 HIS HB2 3.17 (#SUP 0.58 #QF 0.58)
&rst
ixpk= 0, nxpk= 0, iat=1176,1180, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 32 ILE QD1 74 HIS H 5.02 (#SUP 0.51 #QF 0.51)
&rst
ixpk= 0, nxpk= 0, iat= -1,1176, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 521, 522, 523,
&end
#
# 73 ALA QB 74 HIS H 3.36 (#SUP 0.49 #QF 0.49)
&rst
ixpk= 0, nxpk= 0, iat= -1,1176, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1170,1171,1172,
&end
#
# 74 HIS H 76 ILE HG13 4.51 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat=1176,1221, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 126 THR H 126 THR HB 4.17 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat=2077,2081, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 125 GLU HB3 126 THR H 3.22 (#SUP 0.54 #QF 0.54)
&rst
ixpk= 0, nxpk= 0, iat=2067,2077, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 125 GLU HB2 126 THR H 3.57 (#SUP 0.63 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat=2066,2077, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 120 LEU HB3 126 THR H 4.59 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat=1993,2077, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 126 THR H 126 THR QG2 3.33 (#SUP 0.39 #QF 0.39)
&rst
ixpk= 0, nxpk= 0, iat=2077, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=2083,2084,2085,
&end
#
# 120 LEU QD1 126 THR H 5.23 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1,2077, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1=1997,1998,1999,
&end
#
# 125 GLU H 126 THR H 3.99 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat=2062,2077, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 109 LYS H 111 LEU H 4.24 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1766,1810, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 109 LYS H 110 LYS H 3.01 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1766,1788, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 108 LEU H 109 LYS H 3.13 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1747,1766, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 107 ASP HA 109 LYS H 3.86 (#SUP 0.72 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat=1737,1766, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 108 LEU HA 109 LYS H 3.53 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat=1749,1766, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 109 LYS H 109 LYS QE 4.83 (#SUP 0.62 #QF 0.62)
&rst
ixpk= 0, nxpk= 0, iat=1766, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1779,1780,
&end
#
# 107 ASP HB2 109 LYS H 4.79 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat=1739,1766, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 107 ASP HB3 109 LYS H 4.79 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat=1740,1766, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 109 LYS H 109 LYS HB2 2.84 (#SUP 0.54 #QF 0.54)
&rst
ixpk= 0, nxpk= 0, iat=1766,1770, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34, &end
#
# 108 LEU HB2 109 LYS H 3.31 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat=1751,1766, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 109 LYS H 109 LYS QG 2.88 (#SUP 0.41 #QF 0.41)
&rst
ixpk= 0, nxpk= 0, iat=1766, -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
igr2=1773,1774,
&end
#
# 109 LYS H 137 ILE QG2 4.20 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1766, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=2237,2238,2239,
&end
#
# 108 LEU QD2 109 LYS H 5.32 (#SUP 0.84 #QF 0.51)
&rst
ixpk= 0, nxpk= 0, iat= -1,1766, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1=1760,1761,1762,
&end
#
# 60 ALA QB 62 THR H 3.30 (#SUP 0.45 #QF 0.45)
&rst
ixpk= 0, nxpk= 0, iat= -1, 981, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 965, 966, 967,
&end
#
# 61 ALA QB 62 THR H 3.78 (#SUP 0.60 #QF 0.60)
&rst
ixpk= 0, nxpk= 0, iat= -1, 981, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 975, 976, 977,
&end
#
# 60 ALA HA 62 THR H 4.55 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat= 963, 981, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 61 ALA HA 62 THR H 3.19 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 973, 981, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 61 ALA H 62 THR H 3.39 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 971, 981, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 134 SER H 134 SER QB 3.51 (#SUP 0.95 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat=2187, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=2191,2192,
&end
#
# 132 GLU QG 134 SER H 4.12 (#SUP 0.58 #QF 0.58)
&rst
ixpk= 0, nxpk= 0, iat= -1,2187, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=2157,2158,
&end
#
# 133 LYS QB 134 SER H 3.71 (#SUP 0.44 #QF 0.44)
&rst
ixpk= 0, nxpk= 0, iat= -1,2187, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1=2169,2170,
&end
#
# 54 ILE H 54 ILE QD1 3.76 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= 887, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 900, 901, 902,
&end
#
# 54 ILE H 56 ALA QB 4.78 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= 887, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 917, 918, 919,
&end
#
# 54 ILE H 54 ILE QG1 3.20 (#SUP 0.67 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat= 887, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 897, 898,
&end
#
# 54 ILE H 54 ILE HB 3.53 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= 887, 891, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 53 TYR HB2 54 ILE H 4.01 (#SUP 0.72 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat= 870, 887, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 51 CYS HA 54 ILE H 3.90 (#SUP 0.65 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat= 837, 887, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 53 TYR QD 54 ILE H 4.74 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= -1, 887, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 874, 883,
&end
#
# 54 ILE H 55 GLY H 3.22 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 887, 906, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 52 TYR H 54 ILE H 4.40 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 845, 887, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 138 ARG HA 141 ASN HD22 5.50 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat=2252,2325, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 137 ILE HB 141 ASN HD22 5.20 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat=2235,2325, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 138 ARG HA 141 ASN HD21 5.01 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat=2252,2324, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 137 ILE QG2 141 ASN HD21 3.69 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat= -1,2324, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1=2237,2238,2239,
&end
#
# 105 THR H 106 VAL QG2 5.50 (#SUP 0.65 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat=1705, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1729,1730,1731,
&end
#
# 123 TRP H 124 GLY H 2.83 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2031,2055, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end
#
# 122 ASP H 124 GLY H 4.09 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2019,2055, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 121 ASP H 124 GLY H 4.61 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=2007,2055, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 123 TRP HE3 124 GLY H 4.96 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat=2050,2055, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 123 TRP HD1 124 GLY H 5.50 (#SUP 0.69 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat=2039,2055, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 121 ASP HA 124 GLY H 3.42 (#SUP 0.67 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat=2009,2055, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 124 GLY H 124 GLY HA2 2.88 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat=2055,2057, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end
#
# 123 TRP HB2 124 GLY H 3.68 (#SUP 0.72 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat=2035,2055, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 124 GLY H 125 GLU HB2 4.04 (#SUP 0.62 #QF 0.62)
&rst
ixpk= 0, nxpk= 0, iat=2055,2066, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 123 TRP HB3 124 GLY H 4.09 (#SUP 0.69 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat=2036,2055, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 120 LEU QD2 124 GLY H 5.15 (#SUP 0.61 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat= -1,2055, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1=2001,2002,2003,
&end
#
# 124 GLY H 126 THR H 4.41 (#SUP 0.42 #QF 0.42)
&rst
ixpk= 0, nxpk= 0, iat=2055,2077, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 13 LEU QD2 14 GLY H 4.29 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= -1, 219, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 213, 214, 215,
&end
#
# 14 GLY H 78 VAL HB 4.71 (#SUP 0.55 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat= 219,1247, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 54 ILE QG2 55 GLY H 4.68 (#SUP 0.94 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat= -1, 906, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 893, 894, 895,
&end
#
# 55 GLY H 64 ILE QD1 5.41 (#SUP 0.94 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat= 906, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2=1030,1031,1032,
&end
#
# 56 ALA QB 57 THR H 3.26 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1, 923, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 917, 918, 919,
&end
#
# 57 THR H 57 THR QG2 2.98 (#SUP 0.48 #QF 0.48)
&rst
ixpk= 0, nxpk= 0, iat= 923, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 929, 930, 931,
&end
#
# 54 ILE QG1 55 GLY H 3.86 (#SUP 0.56 #QF 0.56)
&rst
ixpk= 0, nxpk= 0, iat= -1, 906, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 897, 898,
&end
#
# 55 GLY H 56 ALA QB 3.72 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 906, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 917, 918, 919,
&end
#
# 54 ILE HB 55 GLY H 4.22 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= 891, 906, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 54 ILE HB 57 THR H 5.50 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat= 891, 923, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 GLY HA3 57 THR H 4.45 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat= 909, 923, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 51 CYS HA 55 GLY H 4.49 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat= 837, 906, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 54 ILE HA 55 GLY H 3.56 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= 889, 906, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 55 GLY HA2 57 THR H 4.45 (#SUP 0.63 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat= 908, 923, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 52 TYR HA 57 THR H 3.70 (#SUP 0.25 #QF 0.25)
&rst
ixpk= 0, nxpk= 0, iat= 847, 923, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 56 ALA HA 57 THR H 3.52 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 915, 923, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 55 GLY H 57 THR H 3.87 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 906, 923, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 54 ILE H 57 THR H 5.26 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 887, 923, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 56 ALA H 57 THR H 3.02 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 913, 923, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 57 THR H 58 ASP H 4.58 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 923, 937, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 57 THR H 59 ASP H 4.44 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 923, 949, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 53 TYR H 55 GLY H 4.22 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 866, 906, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 52 TYR H 55 GLY H 5.13 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 845, 906, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 52 TYR H 57 THR H 5.20 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 845, 923, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 91 GLN HG2 91 GLN HE22 3.73 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat=1477,1483, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 91 GLN HE22 94 GLU HG3 4.77 (#SUP 0.92 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat=1483,1524, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 91 GLN HB3 91 GLN HE21 4.31 (#SUP 0.74 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat=1475,1482, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 91 GLN HE21 92 ILE QD1 5.00 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat=1482, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1500,1501,1502,
&end
#
# 91 GLN HB3 91 GLN HE22 4.50 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat=1475,1483, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 GLN HA 18 GLN HE22 4.37 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= 293, 304, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 18 GLN QG 18 GLN HE22 3.47 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 298, 299,
&end
#
# 18 GLN HE22 21 LYS QB 4.84 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 343, 344,
&end
#
# 18 GLN HE21 21 LYS QD 4.72 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 349, 350,
&end
#
# 18 GLN QG 18 GLN HE21 3.47 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat= -1, 303, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 298, 299,
&end
#
# 18 GLN HA 18 GLN HE21 4.37 (#SUP 0.54 #QF 0.54)
&rst
ixpk= 0, nxpk= 0, iat= 293, 303, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 48 ASN HA 48 ASN HD22 4.05 (#SUP 0.69 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat= 780, 788, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 47 GLU HB2 48 ASN HD22 4.43 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 767, 788, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 47 GLU HB2 48 ASN HD21 4.61 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 767, 787, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 34 ASN HD21 35 GLU H 4.51 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= 551, 556, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 34 ASN HD22 35 GLU H 5.50 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 552, 556, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 THR HA 34 ASN HD22 5.50 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 496, 552, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 THR HA 34 ASN HD21 4.28 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= 496, 551, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 34 ASN HD22 38 LYS QE 3.79 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 622, 623,
&end
#
# 34 ASN HD21 38 LYS QE 3.75 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 551, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2= 622, 623,
&end
#
# 34 ASN HD22 38 LYS QD 4.60 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 619, 620,
&end
#
# 34 ASN HD21 38 LYS QD 4.65 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 551, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 619, 620,
&end
#
# 0 SER QB 2 ARG H 4.57 (#SUP 0.54 #QF 0.54)
&rst
ixpk= 0, nxpk= 0, iat= -1, 41, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 15, 16,
&end
#
# 1 LEU HG 2 ARG H 3.64 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat= 29, 41, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 1 LEU HB3 2 ARG H 4.81 (#SUP 0.69 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat= 27, 41, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 27 PHE H 27 PHE QE 4.90 (#SUP 0.63 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat= 439, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 449, 453,
&end
#
# 25 VAL QG1 27 PHE H 4.93 (#SUP 0.79 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat= -1, 439, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 415, 416, 417,
&end
#
# 27 PHE H 32 ILE QD1 5.08 (#SUP 0.62 #QF 0.62)
&rst
ixpk= 0, nxpk= 0, iat= 439, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2= 521, 522, 523,
&end
#
# 131 ALA H 135 ASP H 4.81 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2140,2198, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 132 CYS H 131 ALA H 4.73 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2130,2140, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 131 ALA H 136 TYR QD 5.04 (#SUP 0.58 #QF 0.58)
&rst
ixpk= 0, nxpk= 0, iat=2140, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=2218,2227,
&end
#
# 131 ALA H 136 TYR QE 5.21 (#SUP 0.62 #QF 0.62)
&rst
ixpk= 0, nxpk= 0, iat=2140, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=2220,2225,
&end
#
# 107 ASP H 108 LEU H 4.88 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1735,1747, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 34 ASN HA 36 LEU H 4.91 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 544, 571, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 102 ASP H 103 LEU H 4.89 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1663,1675, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 101 ILE QG2 102 ASP H 4.47 (#SUP 0.78 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat= -1,1663, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1650,1651,1652,
&end
#
# 101 ILE QD1 102 ASP H 4.83 (#SUP 0.78 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat= -1,1663, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1657,1658,1659,
&end
#
# 154 ALA H 154 ALA QB 3.71 (#SUP 0.46 #QF 0.46)
&rst
ixpk= 0, nxpk= 0, iat=2514, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=2518,2519,2520,
&end
#
# 0 SER HA 2 ARG H 4.70 (#SUP 0.72 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat= 13, 41, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 104 SER H 107 ASP H 5.50 (#SUP 1.00 #QF 0.68)
&rst
ixpk= 1, nxpk= 0, iat=1694,1735, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 ALA H 61 ALA H 4.64 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat= 961, 971, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 148 ALA H 150 LYS QB 5.23 (#SUP 0.23 #QF 0.23)
&rst
ixpk= 0, nxpk= 0, iat=2437, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=2465,2466,
&end
#
# 145 PRO HB3 148 ALA H 5.50 (#SUP 0.98 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=2388,2437, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 148 ALA H 150 LYS QD 5.50 (#SUP 0.98 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=2437, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2471,2472,
&end
#
# 151 ALA H 152 ALA H 4.39 (#SUP 0.58 #QF 0.58)
&rst
ixpk= 0, nxpk= 0, iat=2483,2493, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 150 LYS H 151 ALA H 4.79 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=2461,2483, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 76 ILE H 77 PRO HD2 3.41 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat=1210,1230, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 74 HIS HB2 76 ILE H 3.98 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat=1180,1210, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 63 LYS HA 65 ILE H 3.45 (#SUP 0.63 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat= 997,1036, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 120 LEU QD1 122 ASP H 5.50 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat= -1,2019, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1997,1998,1999,
&end
#
# 64 ILE HB 65 ILE H 4.26 (#SUP 0.55 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat=1021,1036, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 119 ILE QG2 122 ASP H 4.75 (#SUP 0.56 #QF 0.56)
&rst
ixpk= 0, nxpk= 0, iat= -1,2019, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1975,1976,1977,
&end
#
# 141 ASN H 144 MET H 4.81 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2315,2363, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 141 ASN HD21 144 MET H 5.50 (#SUP 0.69 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat=2324,2363, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 144 MET H 147 TYR QD 5.50 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat=2363, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2424,2433,
&end
#
# 52 TYR H 54 ILE QG1 4.51 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 897, 898,
&end
#
# 52 TYR H 56 ALA QB 4.92 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2= 917, 918, 919,
&end
#
# 81 ILE H 81 ILE HG13 4.32 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat=1296,1307, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 103 LEU HB3 106 VAL H 4.63 (#SUP 0.61 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat=1680,1719, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 135 ASP H 138 ARG QD 5.30 (#SUP 0.22 #QF 0.22)
&rst
ixpk= 0, nxpk= 0, iat=2198, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr2=2260,2261,
&end
#
# 38 LYS QG 41 ARG H 5.50 (#SUP 0.27 #QF 0.27)
&rst
ixpk= 0, nxpk= 0, iat= -1, 661, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 616, 617,
&end
#
# 99 LYS H 99 LYS QD 4.91 (#SUP 0.77 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat=1605, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1615,1616,
&end
#
# 99 LYS H 99 LYS QG 4.75 (#SUP 0.79 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat=1605, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=1612,1613,
&end
#
# 51 CYS HA 56 ALA H 4.14 (#SUP 0.49 #QF 0.49)
&rst
ixpk= 0, nxpk= 0, iat= 837, 913, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 27 PHE HB2 32 ILE H 4.80 (#SUP 0.62 #QF 0.62)
&rst
ixpk= 0, nxpk= 0, iat= 443, 508, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 42 GLU H 44 ARG H 5.50 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 685, 710, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 ARG H 48 ASN H 4.37 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 710, 778, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 12 TYR QE 44 ARG H 5.23 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat= -1, 710, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 189, 194,
&end
#
# 112 ARG H 116 LEU H 4.37 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat=1829,1906, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 44 ARG H 48 ASN HA 4.77 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat= 710, 780, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 44 ARG H 47 GLU HA 5.09 (#SUP 0.66 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat= 710, 765, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 44 ARG H 44 ARG HD2 5.46 (#SUP 0.58 #QF 0.58)
&rst
ixpk= 0, nxpk= 0, iat= 710, 720, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 77 PRO HD2 78 VAL H 4.28 (#SUP 0.72 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat=1230,1243, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 37 ILE H 38 LYS HA 5.50 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat= 590, 611, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 GLU HA 37 ILE H 4.66 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat= 558, 590, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 37 ILE H 38 LYS QE 5.50 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 622, 623,
&end
#
# 36 LEU HB3 37 ILE H 3.62 (#SUP 0.64 #QF 0.64)
&rst
ixpk= 0, nxpk= 0, iat= 576, 590, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 37 ILE H 37 ILE QD1 3.10 (#SUP 0.67 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 603, 604, 605,
&end
#
# 82 CYS H 85 LEU H 4.74 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat=1315,1362, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 81 ILE HA 85 LEU H 4.93 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat=1298,1362, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 70 LYS H 70 LYS QE 4.64 (#SUP 0.64 #QF 0.64)
&rst
ixpk= 0, nxpk= 0, iat=1111, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1124,1125,
&end
#
# 21 LYS HG3 24 ASP H 5.42 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= 347, 397, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 21 LYS QB 24 ASP H 4.34 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat= -1, 397, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 343, 344,
&end
#
# 21 LYS HA 24 ASP H 3.76 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat= 341, 397, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 24 ASP H 26 THR H 4.83 (#SUP 0.57 #QF 0.57)
&rst
ixpk= 0, nxpk= 0, iat= 397, 425, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 24 ASP H 27 PHE QE 5.50 (#SUP 0.59 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 449, 453,
&end
#
# 123 TRP H 125 GLU HB2 4.96 (#SUP 0.61 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat=2031,2066, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 120 LEU QD2 123 TRP H 5.17 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat= -1,2031, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=2001,2002,2003,
&end
#
# 119 ILE QG2 123 TRP H 4.83 (#SUP 0.56 #QF 0.56)
&rst
ixpk= 0, nxpk= 0, iat= -1,2031, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1975,1976,1977,
&end
#
# 123 TRP H 124 GLY HA2 4.71 (#SUP 0.64 #QF 0.64)
&rst
ixpk= 0, nxpk= 0, iat=2031,2057, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 123 TRP H 124 GLY HA3 5.01 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat=2031,2058, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 121 ASP H 123 TRP H 4.02 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=2007,2031, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 123 TRP H 123 TRP HE1 5.26 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2031,2041, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 33 GLU H 34 ASN HA 5.50 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= 527, 544, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 147 TYR HB3 150 LYS H 5.17 (#SUP 0.58 #QF 0.58)
&rst
ixpk= 0, nxpk= 0, iat=2421,2461, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 125 GLU H 126 THR QG2 4.79 (#SUP 0.26 #QF 0.26)
&rst
ixpk= 0, nxpk= 0, iat=2062, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=2083,2084,2085,
&end
#
# 120 LEU HB2 125 GLU H 4.21 (#SUP 0.74 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat=1992,2062, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 149 PRO HD2 150 LYS H 5.05 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat=2448,2461, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 121 ASP H 125 GLU H 5.14 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=2007,2062, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 140 ILE H 141 ASN HB2 4.81 (#SUP 0.38 #QF 0.38)
&rst
ixpk= 0, nxpk= 0, iat=2296,2319, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 136 TYR HB3 140 ILE H 5.13 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat=2215,2296, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 154 ALA HA 155 ARG H 3.52 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat=2516,2524, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 141 ASN HD21 142 GLU H 4.97 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=2324,2329, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 139 LYS H 142 GLU H 5.43 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat=2274,2329, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 84 LYS H 86 LYS H 4.06 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat=1340,1381, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 86 LYS H 88 LYS H 4.70 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1381,1425, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 82 CYS HA 84 LYS H 4.02 (#SUP 0.51 #QF 0.51)
&rst
ixpk= 0, nxpk= 0, iat=1317,1340, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 81 ILE HA 84 LYS H 4.27 (#SUP 0.56 #QF 0.56)
&rst
ixpk= 0, nxpk= 0, iat=1298,1340, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 84 LYS H 84 LYS QE 5.02 (#SUP 0.63 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat=1340, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=1353,1354,
&end
#
# 85 LEU QD2 86 LYS H 5.08 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat= -1,1381, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=1375,1376,1377,
&end
#
# 38 LYS H 38 LYS QE 4.02 (#SUP 0.44 #QF 0.44)
&rst
ixpk= 0, nxpk= 0, iat= 609, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2= 622, 623,
&end
#
# 38 LYS H 41 ARG QD 4.78 (#SUP 0.55 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat= 609, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 671, 672,
&end
#
# 137 ILE H 139 LYS H 4.57 (#SUP 0.24 #QF 0.24)
&rst
ixpk= 0, nxpk= 0, iat=2231,2274, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 32 ILE QD1 72 LEU H 5.14 (#SUP 0.57 #QF 0.57)
&rst
ixpk= 0, nxpk= 0, iat= -1,1147, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 521, 522, 523,
&end
#
# 49 ARG HD3 50 LEU H 4.49 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 803, 816, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 49 ARG HD2 50 LEU H 4.98 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 802, 816, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 71 PRO HA 73 ALA H 5.06 (#SUP 0.61 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat=1143,1166, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 71 PRO QD 73 ALA H 5.34 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat= -1,1166, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1134,1135,
&end
#
# 17 TYR QB 73 ALA H 5.50 (#SUP 0.27 #QF 0.27)
&rst
ixpk= 0, nxpk= 0, iat= -1,1166, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 274, 275,
&end
#
# 47 GLU H 50 LEU H 5.50 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 763, 816, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 LEU H 52 TYR H 4.53 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= 816, 845, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 13 LEU QD1 17 TYR H 4.25 (#SUP 0.86 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= -1, 270, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 209, 210, 211,
&end
#
# 17 TYR H 78 VAL QG1 4.57 (#SUP 0.67 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat= 270, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1249,1250,1251,
&end
#
# 72 LEU H 74 HIS H 4.33 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1147,1176, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 16 PHE HZ 17 TYR H 5.50 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= 262, 270, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 TYR H 20 LEU H 5.30 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 270, 320, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 64 ILE H 64 ILE HG12 3.94 (#SUP 0.45 #QF 0.45)
&rst
ixpk= 0, nxpk= 0, iat=1017,1027, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 136 TYR HB3 138 ARG H 5.50 (#SUP 0.42 #QF 0.42)
&rst
ixpk= 0, nxpk= 0, iat=2215,2250, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 ILE H 65 ILE HA 5.50 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1017,1038, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 117 LYS H 119 ILE H 4.64 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat=1925,1969, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 116 LEU H 119 ILE H 5.28 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat=1906,1969, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 110 LYS QE 112 ARG H 5.50 (#SUP 0.33 #QF 0.33)
&rst
ixpk= 0, nxpk= 0, iat= -1,1829, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1801,1802,
&end
#
# 64 ILE H 64 ILE QD1 3.93 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat=1017, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1030,1031,1032,
&end
#
# 88 LYS H 88 LYS QE 4.83 (#SUP 0.67 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat=1425, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1438,1439,
&end
#
# 49 ARG H 52 TYR H 4.93 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 792, 845, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 114 LYS QE 115 GLU H 5.50 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= -1,1891, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1882,1883,
&end
#
# 113 VAL HA 115 GLU H 4.55 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat=1855,1891, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 115 GLU H 116 LEU HB2 5.04 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat=1891,1910, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 112 ARG HA 115 GLU H 4.69 (#SUP 0.56 #QF 0.56)
&rst
ixpk= 0, nxpk= 0, iat=1831,1891, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 132 GLU H 136 TYR QD 4.33 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat=2150, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=2218,2227,
&end
#
# 132 GLU H 135 ASP H 3.62 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=2150,2198, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 132 GLU H 133 LYS HA 5.42 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=2150,2167, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 143 LEU H 146 LYS QE 5.24 (#SUP 0.63 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat=2344, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=2407,2408,
&end
#
# 91 GLN HG2 92 ILE H 4.52 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat=1477,1487, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 117 LYS H 136 TYR QE 4.25 (#SUP 0.43 #QF 0.43)
&rst
ixpk= 0, nxpk= 0, iat=1925, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=2220,2225,
&end
#
# 141 ASN H 144 MET HB3 4.53 (#SUP 0.65 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat=2315,2368, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 92 ILE H 94 GLU HG2 5.43 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1487,1523, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 89 ASP H 91 GLN H 5.50 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat=1447,1470, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 143 LEU H 144 MET HA 5.00 (#SUP 0.67 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat=2344,2365, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 47 GLU H 47 GLU HB3 3.66 (#SUP 0.64 #QF 0.64)
&rst
ixpk= 0, nxpk= 0, iat= 763, 768, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 142 GLU HB2 143 LEU H 3.55 (#SUP 0.38 #QF 0.38)
&rst
ixpk= 0, nxpk= 0, iat=2333,2344, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 46 LYS QE 47 GLU H 5.50 (#SUP 0.73 #QF 0.45)
&rst
ixpk= 0, nxpk= 0, iat= -1, 763, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 754, 755,
&end
#
# 32 ILE HA 34 ASN H 4.73 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 510, 542, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 49 ARG HD3 51 CYS H 4.96 (#SUP 0.58 #QF 0.58)
&rst
ixpk= 0, nxpk= 0, iat= 803, 835, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 145 PRO HB3 147 TYR H 5.50 (#SUP 0.64 #QF 0.52)
&rst
ixpk= 0, nxpk= 0, iat=2388,2416, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 147 TYR H 150 LYS QD 5.50 (#SUP 0.64 #QF 0.52)
&rst
ixpk= 0, nxpk= 0, iat=2416, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2471,2472,
&end
#
# 147 TYR H 150 LYS QB 5.50 (#SUP 0.69 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat=2416, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2465,2466,
&end
#
# 147 TYR H 149 PRO HD2 4.53 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=2416,2448, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 123 TRP HE1 147 TYR H 5.50 (#SUP 0.65 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat=2041,2416, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 146 LYS H 146 LYS QE 4.76 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=2394, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=2407,2408,
&end
#
# 31 THR H 34 ASN HB3 5.50 (#SUP 0.63 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat= 494, 547, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 HIS HD2 75 HIS H 4.72 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat=1189,1193, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 71 PRO HB2 75 HIS H 5.08 (#SUP 0.59 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat=1140,1193, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 42 GLU H 43 ALA QB 4.00 (#SUP 0.42 #QF 0.42)
&rst
ixpk= 0, nxpk= 0, iat= 685, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 704, 705, 706,
&end
#
# 38 LYS HA 42 GLU H 4.91 (#SUP 0.62 #QF 0.62)
&rst
ixpk= 0, nxpk= 0, iat= 611, 685, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 85 LEU QD2 87 LYS H 5.50 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= -1,1403, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1375,1376,1377,
&end
#
# 71 PRO HB2 74 HIS H 4.84 (#SUP 0.66 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat=1140,1176, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 74 HIS H 75 HIS HD2 5.43 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat=1176,1206, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 48 ASN HA 48 ASN HD21 4.20 (#SUP 0.60 #QF 0.60)
&rst
ixpk= 0, nxpk= 0, iat= 780, 787, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 47 GLU HA 48 ASN HD21 4.96 (#SUP 0.67 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat= 765, 787, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 152 ALA QB 153 SER H 4.46 (#SUP 0.43 #QF 0.43)
&rst
ixpk= 0, nxpk= 0, iat= -1,2503, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1=2497,2498,2499,
&end
#
# 153 SER H 153 SER QB 4.05 (#SUP 0.52 #QF 0.52)
&rst
ixpk= 0, nxpk= 0, iat=2503, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=2507,2508,
&end
#
# 120 LEU HG 126 THR H 4.52 (#SUP 0.60 #QF 0.60)
&rst
ixpk= 0, nxpk= 0, iat=1995,2077, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 91 GLN H 91 GLN HE21 4.66 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1470,1482, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 134 SER H 135 ASP QB 5.23 (#SUP 0.46 #QF 0.46)
&rst
ixpk= 0, nxpk= 0, iat=2187, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=2202,2203,
&end
#
# 134 SER H 137 ILE QD1 4.85 (#SUP 0.66 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat=2187, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=2244,2245,2246,
&end
#
# 134 SER H 137 ILE HG12 5.50 (#SUP 0.59 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat=2187,2241, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 134 SER H 136 TYR H 5.39 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2187,2210, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 134 SER H 137 ILE H 5.34 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=2187,2231, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 132 GLU H 134 SER H 5.50 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat=2150,2187, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 141 ASN HD22 144 MET QE 5.49 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat=2325, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2=2374,2375,2376,
&end
#
# 108 LEU HB2 141 ASN HD21 5.22 (#SUP 0.68 #QF 0.26)
&rst
ixpk= 0, nxpk= 0, iat=1751,2324, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 137 ILE HB 141 ASN HD21 5.50 (#SUP 0.68 #QF 0.26)
&rst
ixpk= 0, nxpk= 0, iat=2235,2324, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 141 ASN HD21 144 MET QE 5.50 (#SUP 0.56 #QF 0.56)
&rst
ixpk= 0, nxpk= 0, iat=2324, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2374,2375,2376,
&end
#
# 138 ARG H 141 ASN HD21 5.50 (#SUP 0.42 #QF 0.42)
&rst
ixpk= 0, nxpk= 0, iat=2250,2324, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 138 ARG H 141 ASN HD22 5.50 (#SUP 0.53 #QF 0.53)
&rst
ixpk= 0, nxpk= 0, iat=2250,2325, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 103 LEU HA 105 THR H 4.49 (#SUP 0.67 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat=1677,1705, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 103 LEU HB2 105 THR H 5.19 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat=1679,1705, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 103 LEU HB3 105 THR H 4.85 (#SUP 0.53 #QF 0.53)
&rst
ixpk= 0, nxpk= 0, iat=1680,1705, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 105 THR H 106 VAL QG1 5.50 (#SUP 0.72 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat=1705, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1725,1726,1727,
&end
#
# 55 GLY H 56 ALA HA 4.84 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat= 906, 915, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 55 GLY H 65 ILE HB 5.06 (#SUP 0.21 #QF 0.21)
&rst
ixpk= 0, nxpk= 0, iat= 906,1040, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 132 CYS H 135 ASP QB 4.92 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat=2130, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=2202,2203,
&end
#
# 51 CYS H 54 ILE H 5.36 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 835, 887, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 103 LEU H 105 THR H 5.50 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat=1675,1705, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 135 ASP H 136 TYR QE 5.41 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=2198, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2220,2225,
&end
#
# 157 ASP H 158 LEU H 3.50 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat=2562,2574, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 71 PRO HA 76 ILE QD1 3.30 (#SUP 0.67 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat=1143, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1223,1224,1225,
&end
#
# 76 ILE QD1 77 PRO HD2 3.47 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= -1,1230, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1=1223,1224,1225,
&end
#
# 74 HIS HB3 76 ILE QD1 3.26 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1181, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1223,1224,1225,
&end
#
# 74 HIS HB2 76 ILE QD1 3.79 (#SUP 0.66 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat=1180, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1223,1224,1225,
&end
#
# 71 PRO HB2 76 ILE QD1 3.31 (#SUP 0.56 #QF 0.56)
&rst
ixpk= 0, nxpk= 0, iat=1140, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=1223,1224,1225,
&end
#
# 76 ILE H 76 ILE QD1 3.43 (#SUP 0.64 #QF 0.64)
&rst
ixpk= 0, nxpk= 0, iat=1210, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1223,1224,1225,
&end
#
# 32 ILE HB 32 ILE QD1 3.10 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 512, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 521, 522, 523,
&end
#
# 32 ILE QD1 73 ALA HA 2.97 (#SUP 0.44 #QF 0.44)
&rst
ixpk= 0, nxpk= 0, iat= -1,1168, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr1= 521, 522, 523,
&end
#
# 32 ILE HA 32 ILE QD1 3.84 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 521, 522, 523,
&end
#
# 27 PHE HB2 32 ILE QD1 3.76 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 521, 522, 523,
&end
#
# 32 ILE QD1 73 ALA QB 2.95 (#SUP 0.60 #QF 0.60)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 521, 522, 523,
igr2=1170,1171,1172,
&end
#
# 32 ILE QG2 32 ILE QD1 2.95 (#SUP 0.52 #QF 0.52)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 514, 515, 516,
igr2= 521, 522, 523,
&end
#
# 27 PHE QD 32 ILE QD1 3.42 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 447, 455,
igr2= 521, 522, 523,
&end
#
# 27 PHE QE 32 ILE QD1 4.09 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 449, 453,
igr2= 521, 522, 523,
&end
#
# 27 PHE HZ 32 ILE QD1 4.57 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 521, 522, 523,
&end
#
# 32 ILE QD1 35 GLU HG3 5.50 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat= -1, 564, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 521, 522, 523,
&end
#
# 133 LYS QD 137 ILE QD1 2.83 (#SUP 0.73 #QF 0.30)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr1=2175,2176,
igr2=2244,2245,2246,
&end
#
# 137 ILE HB 137 ILE QD1 3.01 (#SUP 0.73 #QF 0.30)
&rst
ixpk= 0, nxpk= 0, iat=2235, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2=2244,2245,2246,
&end
#
# 109 LYS QE 137 ILE QD1 4.65 (#SUP 0.83 #QF 0.40)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1=1779,1780,
igr2=2244,2245,2246,
&end
#
# 133 LYS QE 137 ILE QD1 4.87 (#SUP 0.83 #QF 0.40)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1=2178,2179,
igr2=2244,2245,2246,
&end
#
# 109 LYS HA 137 ILE QD1 3.08 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat=1768, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=2244,2245,2246,
&end
#
# 137 ILE HA 137 ILE QD1 4.00 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat=2233, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=2244,2245,2246,
&end
#
# 36 LEU HB3 37 ILE QD1 3.28 (#SUP 0.38 #QF 0.38)
&rst
ixpk= 0, nxpk= 0, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 603, 604, 605,
&end
#
# 37 ILE QD1 38 LYS H 3.97 (#SUP 0.53 #QF 0.53)
&rst
ixpk= 0, nxpk= 0, iat= -1, 609, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 603, 604, 605,
&end
#
# 55 GLY HA3 65 ILE HB 4.72 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat= 909,1040, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 3 PRO HB2 4 GLY HA2 4.82 (#SUP 0.35 #QF 0.35)
&rst
ixpk= 0, nxpk= 0, iat= 72, 81, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 3 PRO HB2 4 GLY HA3 4.82 (#SUP 0.36 #QF 0.36)
&rst
ixpk= 0, nxpk= 0, iat= 72, 82, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 143 LEU H 143 LEU HB2 3.96 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=2344,2348, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 143 LEU H 143 LEU HB3 4.12 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=2344,2349, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 123 TRP HE3 143 LEU HB2 3.91 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=2050,2348, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 57 THR HB 58 ASP H 4.50 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 927, 937, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 57 THR HB 59 ASP H 4.50 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat= 927, 949, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 62 THR HB 64 ILE QG2 4.07 (#SUP 0.52 #QF 0.29)
&rst
ixpk= 0, nxpk= 0, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1023,1024,1025,
&end
#
# 62 THR HB 64 ILE QD1 4.28 (#SUP 0.52 #QF 0.29)
&rst
ixpk= 0, nxpk= 0, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1030,1031,1032,
&end
#
# 62 THR H 62 THR HB 3.58 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat= 981, 985, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 27 PHE HA 31 THR HB 3.42 (#SUP 0.98 #QF 0.36)
&rst
ixpk= 0, nxpk= 0, iat= 441, 498, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 29 PRO HD2 31 THR HB 3.94 (#SUP 0.57 #QF 0.57)
&rst
ixpk= 0, nxpk= 0, iat= 471, 498, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 31 THR HB 32 ILE HG12 4.12 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= 498, 518, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 113 VAL HA 116 LEU HA 5.50 (#SUP 0.73 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat=1855,1908, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 113 VAL HA 136 TYR QD 4.24 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat=1855, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=2218,2227,
&end
#
# 113 VAL HA 117 LYS H 4.14 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat=1855,1925, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 113 VAL HA 133 LYS QG 3.73 (#SUP 0.61 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat=1855, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=2172,2173,
&end
#
# 113 VAL HA 116 LEU HB2 3.79 (#SUP 0.69 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat=1855,1910, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 29 PRO HA 32 ILE HG13 5.21 (#SUP 0.34 #QF 0.34)
&rst
ixpk= 0, nxpk= 0, iat= 480, 519, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 29 PRO HA 32 ILE H 5.42 (#SUP 0.47 #QF 0.47)
&rst
ixpk= 0, nxpk= 0, iat= 480, 508, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 108 LEU HB2 137 ILE HA 3.74 (#SUP 0.94 #QF 0.25)
&rst
ixpk= 0, nxpk= 0, iat=1751,2233, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 137 ILE HA 137 ILE HG13 3.89 (#SUP 0.94 #QF 0.25)
&rst
ixpk= 0, nxpk= 0, iat=2233,2242, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 137 ILE HA 137 ILE HG12 3.10 (#SUP 0.70 #QF 0.58)
&rst
ixpk= 0, nxpk= 0, iat=2233,2241, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 137 ILE HA 140 ILE QD1 3.47 (#SUP 0.70 #QF 0.58)
&rst
ixpk= 0, nxpk= 0, iat=2233, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2=2309,2310,2311,
&end
#
# 136 TYR H 137 ILE HA 5.33 (#SUP 0.56 #QF 0.56)
&rst
ixpk= 0, nxpk= 0, iat=2210,2233, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 134 SER HA 137 ILE HA 5.42 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2189,2233, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 136 TYR HB2 137 ILE HA 4.43 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=2214,2233, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 31 THR HA 33 GLU HG3 4.99 (#SUP 0.50 #QF 0.50)
&rst
ixpk= 0, nxpk= 0, iat= 496, 535, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 31 THR HA 31 THR QG2 3.08 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 500, 501, 502,
&end
#
# 31 THR HA 32 ILE HG12 5.50 (#SUP 0.41 #QF 0.41)
&rst
ixpk= 0, nxpk= 0, iat= 496, 518, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 THR HA 33 GLU H 5.47 (#SUP 0.99 #QF 0.44)
&rst
ixpk= 0, nxpk= 0, iat= 496, 527, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 31 THR HA 35 GLU H 5.50 (#SUP 0.99 #QF 0.44)
&rst
ixpk= 0, nxpk= 0, iat= 496, 556, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 140 ILE HA 143 LEU HB2 4.54 (#SUP 0.55 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat=2298,2348, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 140 ILE HA 140 ILE HG12 3.48 (#SUP 0.99 #QF 0.32)
&rst
ixpk= 0, nxpk= 0, iat=2298,2306, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 139 LYS QG 140 ILE HA 3.80 (#SUP 0.25 #QF 0.25)
&rst
ixpk= 0, nxpk= 0, iat= -1,2298, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=2281,2282,
&end
#
# 140 ILE HA 140 ILE QG2 3.11 (#SUP 0.34 #QF 0.34)
&rst
ixpk= 0, nxpk= 0, iat=2298, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2=2302,2303,2304,
&end
#
# 77 PRO HA 78 VAL HA 5.20 (#SUP 0.58 #QF 0.58)
&rst
ixpk= 0, nxpk= 0, iat=1239,1245, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 17 TYR QD 78 VAL HA 4.54 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1,1245, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 278, 287,
&end
#
# 78 VAL HA 81 ILE H 4.39 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat=1245,1296, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 108 LEU HB3 137 ILE HA 4.22 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat=1752,2233, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 119 ILE QG2 140 ILE HA 4.59 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1,2298, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1975,1976,1977,
&end
#
# 140 ILE HA 144 MET H 4.69 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat=2298,2363, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 14 GLY HA2 78 VAL HA 5.34 (#SUP 0.77 #QF 0.49)
&rst
ixpk= 0, nxpk= 0, iat= 221,1245, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 77 PRO HD2 78 VAL HA 5.50 (#SUP 0.77 #QF 0.49)
&rst
ixpk= 0, nxpk= 0, iat=1230,1245, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 ILE HA 37 ILE QG2 2.92 (#SUP 0.91 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2= 596, 597, 598,
&end
#
# 37 ILE HA 37 ILE QD1 3.28 (#SUP 0.91 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 603, 604, 605,
&end
#
# 78 VAL HA 81 ILE HB 3.43 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat=1245,1300, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 78 VAL HA 78 VAL QG1 2.98 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat=1245, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2=1249,1250,1251,
&end
#
# 37 ILE HA 37 ILE HG13 3.20 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 592, 601, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 37 ILE HA 40 CYS H 4.25 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 592, 651, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 32 ILE HA 36 LEU H 5.00 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 510, 571, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 53 TYR QE 92 ILE HA 4.27 (#SUP 0.48 #QF 0.48)
&rst
ixpk= 0, nxpk= 0, iat= -1,1489, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 876, 881,
&end
#
# 31 THR HB 32 ILE HA 4.86 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 498, 510, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 27 PHE HA 32 ILE HA 5.36 (#SUP 0.92 #QF 0.52)
&rst
ixpk= 0, nxpk= 0, iat= 441, 510, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 31 THR HA 32 ILE HA 5.50 (#SUP 0.92 #QF 0.52)
&rst
ixpk= 0, nxpk= 0, iat= 496, 510, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 LEU QD1 32 ILE HA 4.27 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 329, 330, 331,
&end
#
# 20 LEU QD2 32 ILE HA 4.27 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 333, 334, 335,
&end
#
# 32 ILE HA 32 ILE QG2 3.29 (#SUP 0.77 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 514, 515, 516,
&end
#
# 92 ILE HA 92 ILE QD1 3.44 (#SUP 0.77 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat=1489, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1500,1501,1502,
&end
#
# 32 ILE HA 35 GLU HG2 4.75 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat= 510, 563, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 53 TYR HB2 92 ILE HA 4.31 (#SUP 0.64 #QF 0.64)
&rst
ixpk= 0, nxpk= 0, iat= 870,1489, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 31 THR QG2 32 ILE HA 4.01 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 500, 501, 502,
&end
#
# 32 ILE HA 32 ILE HG12 3.57 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 510, 518, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 70 LYS HB2 71 PRO HA 4.00 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat=1115,1143, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 71 PRO HA 74 HIS HB2 3.96 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat=1143,1180, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 54 ILE QG2 65 ILE HA 3.07 (#SUP 0.21 #QF 0.21)
&rst
ixpk= 0, nxpk= 0, iat= -1,1038, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr1= 893, 894, 895,
&end
#
# 65 ILE HA 65 ILE HG13 3.79 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat=1038,1047, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 65 ILE HA 69 SER H 5.48 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat=1038,1100, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 28 SER H 28 SER HB2 3.80 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 459, 463, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 8 VAL HA 12 TYR HB3 4.94 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat= 125, 184, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 119 ILE HA 119 ILE QG2 3.18 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat=1971, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1975,1976,1977,
&end
#
# 119 ILE HA 119 ILE HG12 3.82 (#SUP 0.95 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1971,1979, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 119 ILE HA 122 ASP HB2 3.85 (#SUP 0.74 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat=1971,2023, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 10 ILE HA 13 LEU H 4.71 (#SUP 0.47 #QF 0.47)
&rst
ixpk= 0, nxpk= 0, iat= 151, 200, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 10 ILE HA 10 ILE QD1 2.96 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 162, 163, 164,
&end
#
# 68 VAL HA 68 VAL QG1 2.79 (#SUP 0.85 #QF 0.33)
&rst
ixpk= 0, nxpk= 0, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,
igr2=1090,1091,1092,
&end
#
# 68 VAL HA 71 PRO HG2 3.99 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1086,1137, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 26 THR HA 26 THR QG2 3.24 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 431, 432, 433,
&end
#
# 25 VAL QG1 26 THR HA 4.39 (#SUP 0.39 #QF 0.39)
&rst
ixpk= 0, nxpk= 0, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 415, 416, 417,
&end
#
# 26 THR HA 27 PHE QD 4.24 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 447, 455,
&end
#
# 68 VAL HA 71 PRO QD 3.76 (#SUP 0.63 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=1134,1135,
&end
#
# 25 VAL H 26 THR HA 5.12 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= 409, 427, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 12 TYR HA 12 TYR QE 4.73 (#SUP 0.59 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat= 181, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 189, 194,
&end
#
# 12 TYR HA 13 LEU QD2 4.64 (#SUP 0.69 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat= 181, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 213, 214, 215,
&end
#
# 76 ILE QG2 77 PRO HA 4.53 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1,1239, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=1216,1217,1218,
&end
#
# 32 ILE HB 69 SER HB3 4.61 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 512,1105, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 32 ILE QG2 69 SER HA 3.26 (#SUP 0.97 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1,1102, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 514, 515, 516,
&end
#
# 133 LYS HA 133 LYS QG 3.39 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat=2167, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2=2172,2173,
&end
#
# 133 LYS HA 136 TYR HB2 3.99 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=2167,2214, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 69 SER HA 72 LEU H 4.32 (#SUP 0.43 #QF 0.43)
&rst
ixpk= 0, nxpk= 0, iat=1102,1147, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 134 SER HA 138 ARG H 4.45 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat=2189,2250, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 134 SER HA 137 ILE HB 3.16 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat=2189,2235, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 106 VAL HA 106 VAL QG1 3.20 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat=1721, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=1725,1726,1727,
&end
#
# 106 VAL HA 106 VAL QG2 3.20 (#SUP 0.72 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat=1721, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=1729,1730,1731,
&end
#
# 54 ILE HA 54 ILE QG2 3.44 (#SUP 0.94 #QF 0.64)
&rst
ixpk= 0, nxpk= 0, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 893, 894, 895,
&end
#
# 70 LYS HA 70 LYS HG2 3.25 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat=1113,1118, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 38 LYS QB 39 PHE HA 4.23 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat= -1, 633, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 613, 614,
&end
#
# 103 LEU HB2 104 SER HA 4.73 (#SUP 0.60 #QF 0.60)
&rst
ixpk= 0, nxpk= 0, iat=1679,1696, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 156 THR HA 156 THR QG2 3.35 (#SUP 0.55 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat=2550, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=2554,2555,2556,
&end
#
# 64 ILE HA 64 ILE QG2 3.38 (#SUP 0.55 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat=1019, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=1023,1024,1025,
&end
#
# 79 GLU HA 81 ILE H 4.37 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=1261,1296, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 33 GLU HA 36 LEU H 4.34 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat= 529, 571, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 17 TYR HA 17 TYR QE 5.50 (#SUP 0.85 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 280, 285,
&end
#
# 17 TYR HA 39 PHE QE 5.50 (#SUP 0.85 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 641, 645,
&end
#
# 17 TYR HA 20 LEU QD1 4.58 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 329, 330, 331,
&end
#
# 33 GLU HA 65 ILE QD1 3.33 (#SUP 0.67 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat= 529, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1049,1050,1051,
&end
#
# 33 GLU HA 36 LEU HB3 4.56 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= 529, 576, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 33 GLU HA 36 LEU HB2 3.75 (#SUP 0.32 #QF 0.32)
&rst
ixpk= 0, nxpk= 0, iat= 529, 575, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 33 GLU HA 33 GLU HG2 3.98 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 529, 534, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 79 GLU HA 79 GLU HG3 3.74 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat=1261,1267, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 10 ILE QD1 79 GLU HA 3.17 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= -1,1261, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr1= 162, 163, 164,
&end
#
# 17 TYR HA 21 LYS H 5.16 (#SUP 0.49 #QF 0.49)
&rst
ixpk= 0, nxpk= 0, iat= 272, 339, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 101 ILE HA 101 ILE QG2 3.19 (#SUP 0.72 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat=1646, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=1650,1651,1652,
&end
#
# 140 ILE QG2 144 MET HA 3.88 (#SUP 0.50 #QF 0.28)
&rst
ixpk= 0, nxpk= 0, iat= -1,2365, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=2302,2303,2304,
&end
#
# 82 CYS HA 85 LEU HB3 4.46 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat=1317,1367, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 52 TYR HA 57 THR QG2 3.40 (#SUP 0.65 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat= 847, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 929, 930, 931,
&end
#
# 82 CYS HA 86 LYS H 5.07 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat=1317,1381, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 123 TRP HH2 144 MET HA 3.70 (#SUP 0.21 #QF 0.21)
&rst
ixpk= 0, nxpk= 0, iat=2046,2365, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 61 ALA QB 62 THR HA 4.27 (#SUP 0.55 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat= -1, 983, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 975, 976, 977,
&end
#
# 126 THR HA 126 THR QG2 3.82 (#SUP 0.80 #QF 0.54)
&rst
ixpk= 0, nxpk= 0, iat=2079, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=2083,2084,2085,
&end
#
# 70 LYS HA 71 PRO QD 3.96 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1113, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=1134,1135,
&end
#
# 133 LYS QG 134 SER HA 4.47 (#SUP 0.66 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat= -1,2189, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1=2172,2173,
&end
#
# 105 THR HA 105 THR QG2 3.24 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat=1707, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=1711,1712,1713,
&end
#
# 57 THR HA 57 THR QG2 3.43 (#SUP 0.60 #QF 0.60)
&rst
ixpk= 0, nxpk= 0, iat= 925, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 929, 930, 931,
&end
#
# 114 LYS HA 114 LYS HB3 2.96 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1871,1874, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 117 LYS HA 120 LEU QD2 3.64 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat=1927, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=2001,2002,2003,
&end
#
# 97 TYR HA 99 LYS QD 5.04 (#SUP 0.40 #QF 0.40)
&rst
ixpk= 0, nxpk= 0, iat=1574, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1615,1616,
&end
#
# 96 LYS QG 97 TYR HA 5.50 (#SUP 0.67 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat= -1,1574, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1557,1558,
&end
#
# 153 SER HA 153 SER QB 2.86 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat=2505, -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
igr2=2507,2508,
&end
#
# 15 ARG HA 18 GLN QG 4.28 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= 228, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 298, 299,
&end
#
# 15 ARG HA 15 ARG HG3 4.02 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= 228, 234, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 137 ILE QG2 138 ARG HA 4.08 (#SUP 0.37 #QF 0.37)
&rst
ixpk= 0, nxpk= 0, iat= -1,2252, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1=2237,2238,2239,
&end
#
# 138 ARG HA 141 ASN HB2 3.56 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=2252,2319, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 41 ARG HA 41 ARG QD 4.94 (#SUP 0.94 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 663, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 671, 672,
&end
#
# 15 ARG HA 16 PHE HA 5.50 (#SUP 0.98 #QF 0.37)
&rst
ixpk= 0, nxpk= 0, iat= 228, 252, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 147 TYR HA 149 PRO HD3 5.13 (#SUP 0.48 #QF 0.48)
&rst
ixpk= 0, nxpk= 0, iat=2418,2449, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 117 LYS HA 117 LYS QE 4.57 (#SUP 0.31 #QF 0.31)
&rst
ixpk= 0, nxpk= 0, iat=1927, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1938,1939,
&end
#
# 117 LYS HA 136 TYR QE 3.54 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1927, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2=2220,2225,
&end
#
# 16 PHE HA 39 PHE QD 4.81 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 639, 647,
&end
#
# 13 LEU HA 16 PHE HA 5.27 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 202, 252, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 44 ARG HB3 47 GLU HA 4.76 (#SUP 0.88 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat= 715, 765, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 47 GLU HA 50 LEU HG 4.35 (#SUP 0.53 #QF 0.53)
&rst
ixpk= 0, nxpk= 0, iat= 765, 823, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 21 LYS HA 25 VAL H 3.32 (#SUP 0.92 #QF 0.39)
&rst
ixpk= 0, nxpk= 0, iat= 341, 409, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 27 PHE HA 27 PHE QD 3.97 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 441, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 447, 455,
&end
#
# 21 LYS HA 27 PHE QE 3.74 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 449, 453,
&end
#
# 21 LYS HA 27 PHE HZ 4.38 (#SUP 0.49 #QF 0.49)
&rst
ixpk= 0, nxpk= 0, iat= 341, 451, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 118 LYS HA 122 ASP H 4.45 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1949,2019, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 50 LEU HA 53 TYR H 4.71 (#SUP 0.43 #QF 0.43)
&rst
ixpk= 0, nxpk= 0, iat= 818, 866, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 86 LYS HA 86 LYS QG 3.41 (#SUP 0.44 #QF 0.44)
&rst
ixpk= 0, nxpk= 0, iat=1383, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=1388,1389,
&end
#
# 72 LEU HA 72 LEU QD2 3.87 (#SUP 0.67 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat=1149, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1160,1161,1162,
&end
#
# 27 PHE HA 32 ILE QD1 4.44 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 441, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 521, 522, 523,
&end
#
# 118 LYS HA 118 LYS QG 3.10 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat=1949, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=1954,1955,
&end
#
# 115 GLU HA 115 GLU HG2 3.35 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1893,1898, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 118 LYS HA 121 ASP HB2 3.61 (#SUP 0.45 #QF 0.45)
&rst
ixpk= 0, nxpk= 0, iat=1949,2011, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 84 LYS HA 84 LYS HB3 3.00 (#SUP 0.80 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat=1342,1345, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 84 LYS HA 84 LYS QG 3.26 (#SUP 0.77 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat=1342, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2=1347,1348,
&end
#
# 128 LYS HA 128 LYS QB 2.98 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat=2103, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2=2105,2106,
&end
#
# 0 SER HA 0 SER QB 2.96 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 13, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr2= 15, 16,
&end
#
# 21 LYS HA 21 LYS HG3 3.71 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 341, 347, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 21 LYS HA 25 VAL QG1 4.14 (#SUP 0.93 #QF 0.45)
&rst
ixpk= 0, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 415, 416, 417,
&end
#
# 109 LYS HA 109 LYS QG 3.19 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1768, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2=1773,1774,
&end
#
# 41 ARG HA 41 ARG HB2 3.00 (#SUP 0.94 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= 663, 665, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 109 LYS HA 109 LYS QE 5.00 (#SUP 0.92 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat=1768, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1779,1780,
&end
#
# 109 LYS HA 133 LYS QE 5.34 (#SUP 0.92 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat=1768, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=2178,2179,
&end
#
# 50 LEU HA 52 TYR HB3 5.18 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= 818, 850, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 18 GLN HA 21 LYS H 3.99 (#SUP 0.44 #QF 0.44)
&rst
ixpk= 0, nxpk= 0, iat= 293, 339, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 40 CYS HA 43 ALA QB 4.16 (#SUP 0.64 #QF 0.50)
&rst
ixpk= 0, nxpk= 0, iat= 653, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 704, 705, 706,
&end
#
# 40 CYS HA 43 ALA H 4.46 (#SUP 0.74 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat= 653, 700, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 52 TYR QD 53 TYR HA 4.38 (#SUP 0.44 #QF 0.44)
&rst
ixpk= 0, nxpk= 0, iat= -1, 868, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 853, 862,
&end
#
# 53 TYR HA 55 GLY H 5.11 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat= 868, 906, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 123 TRP HZ2 147 TYR HA 5.50 (#SUP 0.84 #QF 0.29)
&rst
ixpk= 0, nxpk= 0, iat=2044,2418, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 146 LYS H 147 TYR HA 5.50 (#SUP 0.84 #QF 0.29)
&rst
ixpk= 0, nxpk= 0, iat=2394,2418, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 GLU HA 39 PHE QD 4.57 (#SUP 0.72 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat= 558, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 639, 647,
&end
#
# 16 PHE HZ 35 GLU HA 5.20 (#SUP 0.52 #QF 0.52)
&rst
ixpk= 0, nxpk= 0, iat= 262, 558, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 17 TYR QD 18 GLN HA 4.70 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= -1, 293, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 278, 287,
&end
#
# 120 LEU HA 123 TRP HE3 3.69 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat=1990,2050, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 17 TYR QE 75 HIS HA 4.89 (#SUP 0.64 #QF 0.28)
&rst
ixpk= 0, nxpk= 0, iat= -1,1195, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 280, 285,
&end
#
# 75 HIS HA 75 HIS HD2 5.40 (#SUP 0.64 #QF 0.28)
&rst
ixpk= 0, nxpk= 0, iat=1195,1206, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 13 LEU HA 15 ARG H 4.27 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= 202, 226, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 13 LEU HA 17 TYR H 4.12 (#SUP 0.99 #QF 0.58)
&rst
ixpk= 0, nxpk= 0, iat= 202, 270, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 19 ASP HA 23 ARG HE 5.06 (#SUP 0.56 #QF 0.56)
&rst
ixpk= 0, nxpk= 0, iat= 310, 386, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 13 LEU HA 16 PHE QE 4.95 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 260, 264,
&end
#
# 16 PHE HZ 36 LEU HA 3.88 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 262, 573, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 36 LEU HA 39 PHE QD 4.30 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 639, 647,
&end
#
# 16 PHE QE 36 LEU HA 4.63 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1, 573, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 260, 264,
&end
#
# 36 LEU HA 39 PHE H 4.31 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 573, 631, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 35 GLU H 36 LEU HA 5.50 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 556, 573, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 LEU HA 27 PHE QE 4.81 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 449, 453,
&end
#
# 20 LEU HA 27 PHE QD 5.22 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 447, 455,
&end
#
# 86 LYS H 87 LYS HA 5.50 (#SUP 0.42 #QF 0.42)
&rst
ixpk= 0, nxpk= 0, iat=1381,1405, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 80 LYS HA 82 CYS H 5.30 (#SUP 0.57 #QF 0.57)
&rst
ixpk= 0, nxpk= 0, iat=1276,1315, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 79 GLU H 80 LYS HA 5.23 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat=1259,1276, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 135 ASP HA 139 LYS H 4.50 (#SUP 0.22 #QF 0.22)
&rst
ixpk= 0, nxpk= 0, iat=2200,2274, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 135 ASP HA 138 ARG H 3.95 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat=2200,2250, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 76 ILE HA 78 VAL H 5.09 (#SUP 0.33 #QF 0.33)
&rst
ixpk= 0, nxpk= 0, iat=1212,1243, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 13 LEU HA 16 PHE H 3.97 (#SUP 0.67 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat= 202, 250, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 116 LEU HA 119 ILE H 3.89 (#SUP 0.21 #QF 0.21)
&rst
ixpk= 0, nxpk= 0, iat=1908,1969, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 122 ASP HA 124 GLY H 5.11 (#SUP 0.79 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat=2021,2055, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 135 ASP HA 137 ILE H 5.47 (#SUP 0.79 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat=2200,2231, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 48 ASN HA 51 CYS H 4.26 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 780, 835, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 141 ASN HA 144 MET H 4.56 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=2317,2363, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 141 ASN HA 144 MET HB3 4.04 (#SUP 0.98 #QF 0.44)
&rst
ixpk= 0, nxpk= 0, iat=2317,2368, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 140 ILE HB 141 ASN HA 4.42 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=2300,2317, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 34 ASN HA 37 ILE QD1 3.17 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 603, 604, 605,
&end
#
# 155 ARG HA 156 THR QG2 4.38 (#SUP 0.27 #QF 0.27)
&rst
ixpk= 0, nxpk= 0, iat=2526, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=2554,2555,2556,
&end
#
# 155 ARG HA 155 ARG HD2 4.38 (#SUP 0.69 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat=2526,2534, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 155 ARG HA 155 ARG HD3 4.38 (#SUP 0.66 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat=2526,2535, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 134 SER QB 135 ASP HA 3.87 (#SUP 0.45 #QF 0.45)
&rst
ixpk= 0, nxpk= 0, iat= -1,2200, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1=2191,2192,
&end
#
# 23 ARG HA 23 ARG QD 4.28 (#SUP 0.52 #QF 0.52)
&rst
ixpk= 0, nxpk= 0, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 383, 384,
&end
#
# 88 LYS HA 88 LYS QE 4.54 (#SUP 0.67 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat=1427, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1438,1439,
&end
#
# 23 ARG HA 24 ASP HB3 4.67 (#SUP 0.50 #QF 0.50)
&rst
ixpk= 0, nxpk= 0, iat= 375, 402, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 88 LYS HA 88 LYS QD 2.96 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat=1427, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr2=1435,1436,
&end
#
# 142 GLU HA 142 GLU HB3 2.99 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat=2331,2334, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 158 LEU HA 158 LEU QB 2.98 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=2576, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2=2578,2579,
&end
#
# 103 LEU HA 103 LEU QD2 4.12 (#SUP 0.59 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat=1677, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1688,1689,1690,
&end
#
# 43 ALA QB 48 ASN HA 3.99 (#SUP 0.32 #QF 0.32)
&rst
ixpk= 0, nxpk= 0, iat= -1, 780, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 704, 705, 706,
&end
#
# 48 ASN HA 51 CYS HB2 5.28 (#SUP 0.83 #QF 0.27)
&rst
ixpk= 0, nxpk= 0, iat= 780, 839, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 118 LYS HA 120 LEU QD2 4.23 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat=1949, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=2001,2002,2003,
&end
#
# 114 LYS HA 114 LYS QE 4.84 (#SUP 0.68 #QF 0.52)
&rst
ixpk= 0, nxpk= 0, iat=1871, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1882,1883,
&end
#
# 114 LYS HA 117 LYS QE 5.20 (#SUP 0.68 #QF 0.52)
&rst
ixpk= 0, nxpk= 0, iat=1871, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1938,1939,
&end
#
# 113 VAL HA 114 LYS HA 5.02 (#SUP 0.60 #QF 0.60)
&rst
ixpk= 0, nxpk= 0, iat=1855,1871, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 16 PHE HA 17 TYR QB 5.42 (#SUP 0.74 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2= 274, 275,
&end
#
# 117 LYS HA 136 TYR HB3 5.16 (#SUP 0.50 #QF 0.50)
&rst
ixpk= 0, nxpk= 0, iat=1927,2215, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 76 ILE HA 76 ILE QD1 3.88 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1212, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1223,1224,1225,
&end
#
# 139 LYS HA 139 LYS QG 3.51 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=2276, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=2281,2282,
&end
#
# 76 ILE HA 76 ILE HG12 3.97 (#SUP 0.81 #QF 0.24)
&rst
ixpk= 0, nxpk= 0, iat=1212,1220, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 18 GLN HA 21 LYS HG2 4.05 (#SUP 0.62 #QF 0.62)
&rst
ixpk= 0, nxpk= 0, iat= 293, 346, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 18 GLN HA 18 GLN QG 3.48 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 293, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2= 298, 299,
&end
#
# 20 LEU HA 25 VAL QG1 3.16 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 415, 416, 417,
&end
#
# 20 LEU HA 20 LEU QD2 4.08 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 333, 334, 335,
&end
#
# 18 GLN HA 21 LYS QD 4.05 (#SUP 0.57 #QF 0.57)
&rst
ixpk= 0, nxpk= 0, iat= 293, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 349, 350,
&end
#
# 17 TYR QB 18 GLN HA 4.78 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= -1, 293, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 274, 275,
&end
#
# 49 ARG HA 49 ARG HD3 3.26 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= 794, 803, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 120 LEU HA 125 GLU HB3 3.99 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1990,2067, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 49 ARG HA 49 ARG QG 3.42 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 794, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 799, 800,
&end
#
# 108 LEU HA 108 LEU QD2 4.03 (#SUP 0.87 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat=1749, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1760,1761,1762,
&end
#
# 108 LEU HA 111 LEU QD2 3.97 (#SUP 0.87 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat=1749, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1823,1824,1825,
&end
#
# 146 LYS HA 146 LYS HG2 3.62 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=2396,2401, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 85 LEU HA 85 LEU QD2 3.85 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1364, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1375,1376,1377,
&end
#
# 36 LEU HA 37 ILE QD1 4.71 (#SUP 0.91 #QF 0.20)
&rst
ixpk= 0, nxpk= 0, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 603, 604, 605,
&end
#
# 36 LEU HA 36 LEU HG 3.99 (#SUP 0.98 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 573, 578, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 36 LEU HA 39 PHE HB3 3.85 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= 573, 636, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 20 LEU HA 25 VAL HB 3.65 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat= 322, 413, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 20 LEU HA 20 LEU QD1 4.08 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 329, 330, 331,
&end
#
# 135 ASP HA 135 ASP QB 2.97 (#SUP 0.55 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat=2200, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr2=2202,2203,
&end
#
# 87 LYS HA 87 LYS QB 2.71 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat=1405, -1, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,
igr2=1407,1408,
&end
#
# 87 LYS HA 87 LYS QD 3.48 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat=1405, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2=1413,1414,
&end
#
# 87 LYS HA 87 LYS QG 3.25 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1405, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2=1410,1411,
&end
#
# 13 LEU HA 17 TYR QB 4.56 (#SUP 0.72 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 274, 275,
&end
#
# 150 LYS HA 150 LYS QB 2.77 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat=2463, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr2=2465,2466,
&end
#
# 13 LEU HA 13 LEU QD2 3.86 (#SUP 0.82 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 213, 214, 215,
&end
#
# 116 LEU HA 119 ILE QG2 4.65 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat=1908, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1975,1976,1977,
&end
#
# 48 ASN HA 52 TYR H 5.20 (#SUP 0.45 #QF 0.45)
&rst
ixpk= 0, nxpk= 0, iat= 780, 845, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 40 CYS HA 48 ASN HA 4.47 (#SUP 0.35 #QF 0.35)
&rst
ixpk= 0, nxpk= 0, iat= 653, 780, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 132 CYS HA 131 ALA QB 4.79 (#SUP 0.50 #QF 0.50)
&rst
ixpk= 0, nxpk= 0, iat=2132, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=2144,2145,2146,
&end
#
# 99 LYS HA 99 LYS QG 3.28 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat=1607, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2=1612,1613,
&end
#
# 100 GLN HA 101 ILE H 3.11 (#SUP 0.66 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat=1629,1644, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 34 ASN HA 37 ILE H 3.96 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat= 544, 590, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 48 ASN HA 57 THR QG2 4.53 (#SUP 0.64 #QF 0.64)
&rst
ixpk= 0, nxpk= 0, iat= 780, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 929, 930, 931,
&end
#
# 30 ALA HA 34 ASN H 4.76 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= 486, 542, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 143 LEU HA 147 TYR QD 4.86 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat=2346, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=2424,2433,
&end
#
# 66 ASN HA 70 LYS H 4.08 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=1057,1111, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 30 ALA HA 33 GLU HG3 3.47 (#SUP 0.35 #QF 0.35)
&rst
ixpk= 0, nxpk= 0, iat= 486, 535, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 30 ALA HA 33 GLU HG2 4.73 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 486, 534, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 65 ILE QD1 66 ASN HA 3.97 (#SUP 0.78 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat= -1,1057, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1049,1050,1051,
&end
#
# 28 SER HA 32 ILE QD1 4.73 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 521, 522, 523,
&end
#
# 28 SER HA 32 ILE HG12 5.01 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 461, 518, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 28 SER HA 32 ILE HG13 5.07 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 461, 519, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 27 PHE HB2 28 SER HA 5.05 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat= 443, 461, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 111 LEU HA 111 LEU HG 3.68 (#SUP 0.73 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat=1812,1817, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 27 PHE QE 73 ALA HA 4.27 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat= -1,1168, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 449, 453,
&end
#
# 27 PHE QD 28 SER HA 5.21 (#SUP 0.60 #QF 0.60)
&rst
ixpk= 0, nxpk= 0, iat= -1, 461, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 447, 455,
&end
#
# 1 LEU HA 2 ARG H 3.54 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 24, 41, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 102 ASP HA 103 LEU H 3.56 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat=1665,1675, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 107 ASP HA 110 LYS H 5.17 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat=1737,1788, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 103 LEU HB2 107 ASP HA 4.65 (#SUP 0.68 #QF 0.26)
&rst
ixpk= 0, nxpk= 0, iat=1679,1737, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 103 LEU HG 107 ASP HA 4.83 (#SUP 0.68 #QF 0.26)
&rst
ixpk= 0, nxpk= 0, iat=1682,1737, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 101 ILE QD1 102 ASP HA 4.70 (#SUP 0.35 #QF 0.35)
&rst
ixpk= 0, nxpk= 0, iat= -1,1665, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=1657,1658,1659,
&end
#
# 107 ASP HA 108 LEU HA 4.71 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1737,1749, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 132 GLU HA 136 TYR QD 4.51 (#SUP 0.34 #QF 0.34)
&rst
ixpk= 0, nxpk= 0, iat=2152, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=2218,2227,
&end
#
# 132 GLU HA 132 GLU HB2 2.89 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat=2152,2154, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 150 LYS QB 151 ALA HA 4.67 (#SUP 0.55 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat= -1,2485, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=2465,2466,
&end
#
# 77 PRO HD3 78 VAL H 5.46 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1231,1243, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 74 HIS HD2 77 PRO HD3 5.50 (#SUP 0.25 #QF 0.25)
&rst
ixpk= 0, nxpk= 0, iat=1189,1231, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 LEU H 77 PRO HD2 5.11 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat=1147,1230, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 143 LEU H 145 PRO HD2 4.86 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=2344,2381, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 145 PRO HD2 146 LYS H 4.65 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=2381,2394, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 145 PRO HD2 147 TYR H 5.35 (#SUP 0.49 #QF 0.49)
&rst
ixpk= 0, nxpk= 0, iat=2381,2416, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 145 PRO HD3 146 LYS H 4.17 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=2382,2394, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 144 MET HB2 145 PRO HD3 4.08 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat=2367,2382, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 144 MET HB2 145 PRO HD2 4.30 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=2367,2381, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 144 MET HG2 145 PRO HD2 5.03 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=2370,2381, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 144 MET HB3 145 PRO HD2 3.36 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=2368,2381, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 144 MET HB3 145 PRO HD3 3.53 (#SUP 0.61 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat=2368,2382, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 145 PRO HD3 146 LYS HD3 4.48 (#SUP 0.51 #QF 0.51)
&rst
ixpk= 0, nxpk= 0, iat=2382,2405, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 29 PRO HD2 31 THR QG2 4.11 (#SUP 0.64 #QF 0.64)
&rst
ixpk= 0, nxpk= 0, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 500, 501, 502,
&end
#
# 76 ILE HG13 77 PRO HD3 4.00 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat=1221,1231, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 76 ILE HB 77 PRO HD2 4.43 (#SUP 1.00 #QF 0.21)
&rst
ixpk= 1, nxpk= 0, iat=1214,1230, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 77 PRO HD2 78 VAL QG1 3.77 (#SUP 0.40 #QF 0.40)
&rst
ixpk= 0, nxpk= 0, iat=1230, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1249,1250,1251,
&end
#
# 37 ILE H 56 ALA HA 4.85 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat= 590, 915, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 147 TYR HB2 148 ALA HA 4.81 (#SUP 0.65 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat=2420,2439, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 148 ALA HA 149 PRO QG 5.24 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=2439, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=2451,2452,
&end
#
# 37 ILE QD1 56 ALA HA 3.31 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= -1, 915, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1= 603, 604, 605,
&end
#
# 37 ILE HG12 56 ALA HA 4.06 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 600, 915, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 37 ILE HG13 56 ALA HA 4.36 (#SUP 0.52 #QF 0.52)
&rst
ixpk= 0, nxpk= 0, iat= 601, 915, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 148 ALA QB 149 PRO HD2 3.94 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= -1,2448, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=2441,2442,2443,
&end
#
# 149 PRO HD2 150 LYS QD 5.42 (#SUP 0.40 #QF 0.40)
&rst
ixpk= 0, nxpk= 0, iat=2448, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2=2471,2472,
&end
#
# 149 PRO HD2 150 LYS HA 5.50 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat=2448,2463, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 148 ALA QB 149 PRO HD3 3.67 (#SUP 0.69 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat= -1,2449, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2441,2442,2443,
&end
#
# 76 ILE QD1 77 PRO HD3 4.17 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= -1,1231, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=1223,1224,1225,
&end
#
# 70 LYS HG2 71 PRO QD 4.28 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1118, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1134,1135,
&end
#
# 70 LYS HB2 71 PRO QD 3.07 (#SUP 0.85 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr2=1134,1135,
&end
#
# 70 LYS QE 71 PRO QD 4.49 (#SUP 0.48 #QF 0.48)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1124,1125,
igr2=1134,1135,
&end
#
# 67 GLU HA 71 PRO QD 4.14 (#SUP 0.94 #QF 0.20)
&rst
ixpk= 0, nxpk= 0, iat=1071, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1134,1135,
&end
#
# 142 GLU HA 145 PRO HD2 4.47 (#SUP 0.20 #QF 0.20)
&rst
ixpk= 0, nxpk= 0, iat=2331,2381, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 76 ILE QG2 77 PRO HD3 3.56 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= -1,1231, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1=1216,1217,1218,
&end
#
# 14 GLY HA3 78 VAL QG2 4.35 (#SUP 0.56 #QF 0.56)
&rst
ixpk= 0, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1253,1254,1255,
&end
#
# 14 GLY HA2 78 VAL HB 4.94 (#SUP 0.96 #QF 0.22)
&rst
ixpk= 0, nxpk= 0, iat= 221,1247, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 14 GLY HA3 79 GLU HA 5.50 (#SUP 0.74 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat= 222,1261, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 ILE HA 14 GLY HA2 5.50 (#SUP 0.34 #QF 0.34)
&rst
ixpk= 0, nxpk= 0, iat= 151, 221, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 124 GLY HA3 125 GLU HB2 5.50 (#SUP 0.65 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat=2058,2066, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 123 TRP HB3 124 GLY HA3 5.14 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat=2036,2058, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 123 TRP HB2 124 GLY HA3 4.57 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat=2035,2058, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 123 TRP HB2 124 GLY HA2 4.97 (#SUP 0.60 #QF 0.60)
&rst
ixpk= 0, nxpk= 0, iat=2035,2057, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 12 TYR QD 15 ARG HD2 4.88 (#SUP 0.41 #QF 0.41)
&rst
ixpk= 0, nxpk= 0, iat= -1, 236, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 187, 196,
&end
#
# 12 TYR QD 15 ARG HD3 4.88 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat= -1, 237, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 187, 196,
&end
#
# 15 ARG H 15 ARG HD2 4.98 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 226, 236, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 138 ARG HG3 138 ARG QD 2.85 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat=2258, -1, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,
igr2=2260,2261,
&end
#
# 138 ARG HG2 138 ARG QD 2.85 (#SUP 0.74 #QF 0.42)
&rst
ixpk= 0, nxpk= 0, iat=2257, -1, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,
igr2=2260,2261,
&end
#
# 112 ARG QG 112 ARG QD 2.78 (#SUP 0.25 #QF 0.25)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1=1836,1837,
igr2=1839,1840,
&end
#
# 41 ARG HB2 41 ARG QD 3.02 (#SUP 0.87 #QF 0.49)
&rst
ixpk= 0, nxpk= 0, iat= 665, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr2= 671, 672,
&end
#
# 138 ARG QB 138 ARG QD 3.13 (#SUP 0.87 #QF 0.49)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1=2254,2255,
igr2=2260,2261,
&end
#
# 49 ARG QB 49 ARG HD3 4.10 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1, 803, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 796, 797,
&end
#
# 49 ARG HD3 95 LEU QD2 4.45 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 803, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1544,1545,1546,
&end
#
# 146 LYS HB3 146 LYS QE 3.33 (#SUP 0.50 #QF 0.50)
&rst
ixpk= 0, nxpk= 0, iat=2399, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2=2407,2408,
&end
#
# 49 ARG H 49 ARG HD3 4.83 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= 792, 803, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 49 ARG H 49 ARG HD2 5.50 (#SUP 0.59 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat= 792, 802, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 LYS QG 86 LYS QE 2.40 (#SUP 0.22 #QF 0.22)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,
igr1=1388,1389,
igr2=1394,1395,
&end
#
# 1 LEU HB3 1 LEU QD1 3.71 (#SUP 0.94 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat= 27, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 31, 32, 33,
&end
#
# 1 LEU HB3 1 LEU QD2 3.71 (#SUP 0.94 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat= 27, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 35, 36, 37,
&end
#
# 1 LEU HB2 1 LEU QD1 3.71 (#SUP 0.83 #QF 0.47)
&rst
ixpk= 0, nxpk= 0, iat= 26, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 31, 32, 33,
&end
#
# 32 ILE QD1 72 LEU HB3 3.81 (#SUP 0.67 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat= -1,1152, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 521, 522, 523,
&end
#
# 32 ILE QD1 72 LEU HB2 4.06 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 521, 522, 523,
&end
#
# 72 LEU H 72 LEU HB3 3.63 (#SUP 0.58 #QF 0.58)
&rst
ixpk= 0, nxpk= 0, iat=1147,1152, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 111 LEU H 111 LEU HB3 3.91 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1810,1815, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 108 LEU HB3 111 LEU H 5.50 (#SUP 0.69 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat=1752,1810, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 108 LEU HB3 109 LYS H 4.65 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1752,1766, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 143 LEU HB2 144 MET H 4.88 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=2348,2363, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 143 LEU HB3 144 MET H 4.94 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat=2349,2363, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 108 LEU HB2 137 ILE QG2 3.24 (#SUP 0.57 #QF 0.57)
&rst
ixpk= 0, nxpk= 0, iat=1751, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=2237,2238,2239,
&end
#
# 19 ASP HB2 20 LEU H 4.02 (#SUP 0.55 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat= 312, 320, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 51 CYS H 51 CYS HB2 3.98 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 835, 839, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 40 CYS HB3 41 ARG H 4.56 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 656, 661, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 146 LYS HG2 146 LYS QE 3.37 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat=2401, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=2407,2408,
&end
#
# 89 ASP QB 92 ILE QD1 3.48 (#SUP 0.69 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1=1451,1452,
igr2=1500,1501,1502,
&end
#
# 48 ASN HA 51 CYS HB3 5.28 (#SUP 0.46 #QF 0.46)
&rst
ixpk= 0, nxpk= 0, iat= 780, 840, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 96 LYS QG 96 LYS QE 3.06 (#SUP 0.55 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1=1557,1558,
igr2=1563,1564,
&end
#
# 96 LYS QD 96 LYS QE 2.68 (#SUP 0.55 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
igr1=1560,1561,
igr2=1563,1564,
&end
#
# 72 LEU HB2 74 HIS H 5.33 (#SUP 0.48 #QF 0.48)
&rst
ixpk= 0, nxpk= 0, iat=1151,1176, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 72 LEU HB2 74 HIS HD2 5.50 (#SUP 0.35 #QF 0.35)
&rst
ixpk= 0, nxpk= 0, iat=1151,1189, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 1 LEU HB2 2 ARG H 4.81 (#SUP 0.72 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat= 26, 41, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 20 LEU H 20 LEU HB3 4.12 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 320, 325, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 111 LEU H 111 LEU HB2 3.91 (#SUP 0.64 #QF 0.64)
&rst
ixpk= 0, nxpk= 0, iat=1810,1814, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 17 TYR HA 20 LEU HB3 5.08 (#SUP 0.74 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat= 272, 325, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 20 LEU HB3 27 PHE QD 5.50 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 447, 455,
&end
#
# 20 LEU HB3 20 LEU QD1 4.19 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 329, 330, 331,
&end
#
# 20 LEU HB3 20 LEU QD2 4.19 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 333, 334, 335,
&end
#
# 116 LEU HB2 116 LEU QD1 3.35 (#SUP 0.98 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1910, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1915,1916,1917,
&end
#
# 116 LEU HB2 133 LYS QG 4.69 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1910, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=2172,2173,
&end
#
# 113 VAL HA 116 LEU HB3 4.37 (#SUP 0.58 #QF 0.58)
&rst
ixpk= 0, nxpk= 0, iat=1855,1911, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 116 LEU HB3 133 LYS QG 4.86 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat=1911, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=2172,2173,
&end
#
# 85 LEU HB3 85 LEU QD1 3.33 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1371,1372,1373,
&end
#
# 21 LYS QB 21 LYS HE3 4.42 (#SUP 0.84 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat= -1, 353, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 343, 344,
&end
#
# 13 LEU HB2 13 LEU QD2 3.47 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2= 213, 214, 215,
&end
#
# 82 CYS HA 85 LEU HB2 4.46 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat=1317,1366, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 36 LEU HB3 36 LEU QD2 3.86 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 584, 585, 586,
&end
#
# 36 LEU HB2 65 ILE QD1 4.34 (#SUP 0.99 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= 575, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1049,1050,1051,
&end
#
# 47 GLU HA 50 LEU HB3 5.01 (#SUP 0.92 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= 765, 821, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 50 LEU HB3 92 ILE HA 5.35 (#SUP 0.92 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= 821,1489, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 47 GLU HA 50 LEU HB2 5.08 (#SUP 0.98 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 765, 820, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 50 LEU HB2 92 ILE HA 5.50 (#SUP 0.98 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 820,1489, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 LEU HB3 78 VAL HA 4.49 (#SUP 0.97 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 205,1245, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 120 LEU HB3 120 LEU QD2 3.47 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat=1993, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2=2001,2002,2003,
&end
#
# 120 LEU HB3 125 GLU HB2 4.25 (#SUP 0.51 #QF 0.51)
&rst
ixpk= 0, nxpk= 0, iat=1993,2066, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 13 LEU HB3 14 GLY HA2 4.93 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 205, 221, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 10 ILE HA 13 LEU HB2 5.09 (#SUP 0.51 #QF 0.51)
&rst
ixpk= 0, nxpk= 0, iat= 151, 204, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 13 LEU HB2 14 GLY HA2 5.21 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat= 204, 221, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 103 LEU HB3 107 ASP HB3 4.24 (#SUP 0.55 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat=1680,1740, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 118 LYS HA 121 ASP HB3 3.61 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat=1949,2012, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 19 ASP HA 22 ASP HB3 3.38 (#SUP 1.00 #QF 0.58)
&rst
ixpk= 1, nxpk= 0, iat= 310, 366, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 37 ILE QD1 39 PHE HB2 5.50 (#SUP 0.23 #QF 0.23)
&rst
ixpk= 0, nxpk= 0, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 603, 604, 605,
&end
#
# 36 LEU HB3 39 PHE HB2 5.50 (#SUP 0.88 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat= 576, 635, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 LEU HG 39 PHE HB2 5.50 (#SUP 0.88 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat= 578, 635, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 PHE HB2 56 ALA QB 5.50 (#SUP 0.88 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 917, 918, 919,
&end
#
# 38 LYS QD 39 PHE HB2 5.50 (#SUP 0.46 #QF 0.46)
&rst
ixpk= 0, nxpk= 0, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 619, 620,
&end
#
# 38 LYS QB 39 PHE HB2 5.18 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 613, 614,
&end
#
# 36 LEU HG 39 PHE HB3 5.50 (#SUP 0.70 #QF 0.23)
&rst
ixpk= 0, nxpk= 0, iat= 578, 636, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 PHE HB3 56 ALA QB 5.50 (#SUP 0.70 #QF 0.23)
&rst
ixpk= 0, nxpk= 0, iat= 636, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 917, 918, 919,
&end
#
# 132 CYS HA 135 ASP QB 3.70 (#SUP 0.29 #QF 0.29)
&rst
ixpk= 0, nxpk= 0, iat=2132, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=2202,2203,
&end
#
# 103 LEU HB3 107 ASP HB2 4.24 (#SUP 0.59 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat=1680,1739, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 132 GLU HB3 135 ASP QB 5.29 (#SUP 0.23 #QF 0.23)
&rst
ixpk= 0, nxpk= 0, iat=2155, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=2202,2203,
&end
#
# 116 LEU QD2 136 TYR HB3 4.57 (#SUP 0.64 #QF 0.30)
&rst
ixpk= 0, nxpk= 0, iat= -1,2215, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1919,1920,1921,
&end
#
# 116 LEU HB2 136 TYR HB3 3.94 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1910,2215, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 136 TYR HB2 137 ILE HG13 4.37 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat=2214,2242, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 116 LEU HB3 136 TYR HB2 4.23 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat=1911,2214, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 133 LYS QG 136 TYR HB2 4.67 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,2214, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=2172,2173,
&end
#
# 116 LEU HB2 136 TYR HB2 4.09 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1910,2214, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 12 TYR HB3 13 LEU QD2 4.42 (#SUP 0.98 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 213, 214, 215,
&end
#
# 23 ARG QB 24 ASP HB3 4.79 (#SUP 0.65 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 377, 378,
&end
#
# 116 LEU QD1 136 TYR HB2 4.35 (#SUP 0.82 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat= -1,2214, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1915,1916,1917,
&end
#
# 116 LEU QD2 136 TYR HB2 4.35 (#SUP 0.82 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat= -1,2214, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1919,1920,1921,
&end
#
# 119 ILE QG2 122 ASP HB2 5.25 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= -1,2023, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1975,1976,1977,
&end
#
# 133 LYS QG 136 TYR HB3 4.95 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= -1,2215, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=2172,2173,
&end
#
# 116 LEU HB3 136 TYR HB3 3.96 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat=1911,2215, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 136 TYR HB3 140 ILE HB 5.16 (#SUP 0.86 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat=2215,2300, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 136 TYR HB3 140 ILE HG12 5.50 (#SUP 0.86 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat=2215,2306, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 133 LYS HA 136 TYR HB3 4.86 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=2167,2215, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 19 ASP HA 22 ASP HB2 3.38 (#SUP 1.00 #QF 0.72)
&rst
ixpk= 1, nxpk= 0, iat= 310, 365, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 36 LEU H 36 LEU HB3 4.09 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= 571, 576, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 13 LEU HB3 14 GLY H 4.77 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat= 205, 219, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 16 PHE HZ 36 LEU HB3 4.57 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 262, 576, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 16 PHE QE 36 LEU HB3 5.38 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= -1, 576, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 260, 264,
&end
#
# 116 LEU HB2 136 TYR QE 5.50 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1910, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2220,2225,
&end
#
# 120 LEU HB3 121 ASP H 4.53 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat=1993,2007, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 120 LEU HB3 123 TRP HE3 5.09 (#SUP 0.93 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat=1993,2050, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 120 LEU HB3 136 TYR QD 5.50 (#SUP 0.93 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat=1993, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2218,2227,
&end
#
# 120 LEU HB3 125 GLU H 5.16 (#SUP 0.66 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat=1993,2062, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 116 LEU HB3 117 LYS H 4.15 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1911,1925, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 116 LEU H 116 LEU HB3 4.01 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat=1906,1911, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 116 LEU HB3 136 TYR QD 4.57 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1911, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=2218,2227,
&end
#
# 120 LEU HB2 121 ASP H 3.94 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat=1992,2007, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 120 LEU HB2 123 TRP HE3 5.50 (#SUP 0.80 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat=1992,2050, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 120 LEU HB2 136 TYR QD 5.50 (#SUP 0.80 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat=1992, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2218,2227,
&end
#
# 85 LEU H 85 LEU HB2 4.18 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat=1362,1366, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 36 LEU H 36 LEU HB2 4.02 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 571, 575, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 35 GLU H 36 LEU HB2 5.44 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= 556, 575, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 36 LEU HB2 37 ILE H 4.77 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= 575, 590, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 16 PHE QD 36 LEU HB2 5.50 (#SUP 0.66 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat= -1, 575, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 258, 266,
&end
#
# 16 PHE HZ 36 LEU HB2 4.80 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 262, 575, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 16 PHE HZ 39 PHE HB2 4.63 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 262, 635, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 39 PHE H 39 PHE HB3 3.78 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat= 631, 636, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 16 PHE QE 39 PHE HB3 4.79 (#SUP 0.51 #QF 0.51)
&rst
ixpk= 0, nxpk= 0, iat= -1, 636, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 260, 264,
&end
#
# 13 LEU H 13 LEU HB2 4.18 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 200, 204, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 13 LEU HB2 14 GLY H 4.86 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 204, 219, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 121 ASP H 121 ASP HB2 3.48 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=2007,2011, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 107 ASP HB2 108 LEU H 4.73 (#SUP 0.58 #QF 0.58)
&rst
ixpk= 0, nxpk= 0, iat=1739,1747, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 136 TYR H 136 TYR HB2 3.97 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat=2210,2214, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 135 ASP H 136 TYR HB2 5.17 (#SUP 0.25 #QF 0.25)
&rst
ixpk= 0, nxpk= 0, iat=2198,2214, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 24 ASP HB3 25 VAL H 4.53 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 402, 409, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 136 TYR HB2 137 ILE H 4.15 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=2214,2231, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 12 TYR HB3 14 GLY H 5.33 (#SUP 0.53 #QF 0.53)
&rst
ixpk= 0, nxpk= 0, iat= 184, 219, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 120 LEU H 121 ASP HB2 5.50 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1988,2011, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 135 ASP QB 136 TYR H 3.99 (#SUP 0.64 #QF 0.64)
&rst
ixpk= 0, nxpk= 0, iat= -1,2210, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=2202,2203,
&end
#
# 135 ASP H 135 ASP QB 3.59 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat=2198, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2=2202,2203,
&end
#
# 24 ASP H 24 ASP HB3 3.75 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 397, 402, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 24 ASP HB2 25 VAL H 4.77 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 401, 409, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 12 TYR HB2 13 LEU H 4.44 (#SUP 0.54 #QF 0.54)
&rst
ixpk= 0, nxpk= 0, iat= 183, 200, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 122 ASP HB3 123 TRP HD1 5.02 (#SUP 0.74 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat=2024,2039, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 122 ASP HB3 123 TRP H 4.23 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat=2024,2031, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 120 LEU H 122 ASP HB3 5.50 (#SUP 0.72 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat=1988,2024, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 121 ASP H 122 ASP HB3 4.93 (#SUP 0.50 #QF 0.50)
&rst
ixpk= 0, nxpk= 0, iat=2007,2024, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 101 ILE H 101 ILE HB 3.98 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1644,1648, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 37 ILE HB 38 LYS H 3.19 (#SUP 0.88 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat= 594, 609, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 140 ILE H 140 ILE HB 3.28 (#SUP 0.93 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat=2296,2300, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 140 ILE HB 141 ASN H 3.55 (#SUP 0.93 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat=2300,2315, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 64 ILE H 64 ILE HB 3.96 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat=1017,1021, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 78 VAL H 81 ILE HB 5.07 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=1243,1300, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 37 ILE H 37 ILE HB 3.50 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 590, 594, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 92 ILE H 92 ILE HB 3.46 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=1487,1491, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 53 TYR QD 92 ILE HB 5.04 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1,1491, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 874, 883,
&end
#
# 123 TRP HH2 140 ILE HB 4.85 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=2046,2300, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 140 ILE HB 141 ASN HD22 4.53 (#SUP 0.60 #QF 0.60)
&rst
ixpk= 0, nxpk= 0, iat=2300,2325, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 112 ARG H 115 GLU HG3 4.48 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1829,1899, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 115 GLU HG3 116 LEU H 4.55 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat=1899,1906, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 16 PHE H 16 PHE HB2 3.90 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 250, 254, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 97 TYR H 97 TYR HB3 4.18 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat=1572,1577, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 141 ASN HB2 141 ASN HD22 3.81 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=2319,2325, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 97 TYR H 97 TYR HB2 4.18 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat=1572,1576, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 52 TYR H 53 TYR HB2 4.98 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= 845, 870, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 17 TYR QB 27 PHE QE 4.41 (#SUP 0.27 #QF 0.27)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 274, 275,
igr2= 449, 453,
&end
#
# 17 TYR QB 27 PHE HZ 5.23 (#SUP 0.96 #QF 0.21)
&rst
ixpk= 0, nxpk= 0, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 274, 275,
&end
#
# 51 CYS H 53 TYR HB2 5.43 (#SUP 0.72 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat= 835, 870, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 141 ASN HB3 141 ASN HD22 4.09 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=2320,2325, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 16 PHE HB2 39 PHE QD 4.68 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 639, 647,
&end
#
# 48 ASN H 48 ASN HB3 3.79 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 778, 783, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 136 TYR H 137 ILE HB 4.97 (#SUP 0.51 #QF 0.51)
&rst
ixpk= 0, nxpk= 0, iat=2210,2235, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 91 GLN H 92 ILE HB 5.18 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat=1470,1491, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 64 ILE HB 67 GLU H 5.02 (#SUP 0.34 #QF 0.34)
&rst
ixpk= 0, nxpk= 0, iat=1021,1069, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 16 PHE HB2 17 TYR H 4.35 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 254, 270, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 13 LEU HA 16 PHE HB2 4.16 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 202, 254, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 14 GLY HA2 17 TYR QB 4.52 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 274, 275,
&end
#
# 13 LEU HA 16 PHE HB3 4.13 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 202, 255, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 138 ARG HA 141 ASN HB3 4.60 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=2252,2320, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 33 GLU HG2 69 SER HB3 4.14 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 534,1105, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 115 GLU HA 115 GLU HG3 4.11 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1893,1899, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 34 ASN HB3 35 GLU H 3.45 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= 547, 556, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 47 GLU HA 47 GLU HG2 4.15 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= 765, 770, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 16 PHE HB2 17 TYR QB 5.50 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 274, 275,
&end
#
# 13 LEU QD1 16 PHE HB2 4.64 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 209, 210, 211,
&end
#
# 53 TYR HB2 92 ILE HG13 4.32 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 870,1498, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 53 TYR HB2 92 ILE HG12 4.32 (#SUP 0.93 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat= 870,1497, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 31 THR QG2 34 ASN HB2 5.18 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1, 546, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 500, 501, 502,
&end
#
# 33 GLU HB2 34 ASN HB2 4.76 (#SUP 0.32 #QF 0.32)
&rst
ixpk= 0, nxpk= 0, iat= 531, 546, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 31 THR HA 34 ASN HB2 3.54 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= 496, 546, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 137 ILE QG2 141 ASN HB3 5.50 (#SUP 0.86 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat= -1,2320, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2237,2238,2239,
&end
#
# 13 LEU HB3 16 PHE HB3 5.33 (#SUP 0.88 #QF 0.57)
&rst
ixpk= 0, nxpk= 0, iat= 205, 255, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 37 ILE HB 37 ILE QD1 3.10 (#SUP 0.94 #QF 0.62)
&rst
ixpk= 0, nxpk= 0, iat= 594, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 603, 604, 605,
&end
#
# 140 ILE HB 140 ILE QD1 3.13 (#SUP 0.94 #QF 0.62)
&rst
ixpk= 0, nxpk= 0, iat=2300, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2=2309,2310,2311,
&end
#
# 115 GLU HB3 115 GLU HG2 2.99 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1896,1898, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 115 GLU HB3 115 GLU HG3 2.99 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat=1896,1899, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 112 ARG HB2 115 GLU HG3 3.61 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat=1833,1899, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 137 ILE HA 140 ILE HB 3.71 (#SUP 0.63 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat=2233,2300, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 47 GLU HA 47 GLU HG3 4.15 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 765, 771, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 55 GLY HA2 65 ILE HB 4.72 (#SUP 0.58 #QF 0.58)
&rst
ixpk= 0, nxpk= 0, iat= 908,1040, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 63 LYS HA 65 ILE HB 4.72 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat= 997,1040, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 50 LEU HA 53 TYR HB3 5.50 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 818, 871, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 LEU HB3 17 TYR QB 5.29 (#SUP 0.79 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 274, 275,
&end
#
# 17 TYR QB 21 LYS HG2 5.50 (#SUP 0.79 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat= -1, 346, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 274, 275,
&end
#
# 53 TYR HB2 92 ILE HB 5.50 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 870,1491, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 TYR QB 78 VAL HB 4.82 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat= -1,1247, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 274, 275,
&end
#
# 140 ILE HB 141 ASN HB2 4.81 (#SUP 0.64 #QF 0.64)
&rst
ixpk= 0, nxpk= 0, iat=2300,2319, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 119 ILE QG2 140 ILE HB 4.70 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1,2300, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=1975,1976,1977,
&end
#
# 108 LEU HB3 137 ILE HB 5.50 (#SUP 0.74 #QF 0.33)
&rst
ixpk= 0, nxpk= 0, iat=1752,2235, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 133 LYS QG 137 ILE HB 5.50 (#SUP 0.74 #QF 0.33)
&rst
ixpk= 0, nxpk= 0, iat= -1,2235, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2172,2173,
&end
#
# 32 ILE HG13 33 GLU HG2 4.98 (#SUP 0.53 #QF 0.53)
&rst
ixpk= 0, nxpk= 0, iat= 519, 534, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 33 GLU HG2 69 SER HA 4.59 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 534,1102, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 33 GLU HG2 69 SER HB2 4.14 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 534,1104, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 49 ARG HA 52 TYR HB3 4.18 (#SUP 0.41 #QF 0.41)
&rst
ixpk= 0, nxpk= 0, iat= 794, 850, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 31 THR HA 34 ASN HB3 3.58 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 496, 547, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 53 TYR HB3 92 ILE HG12 4.78 (#SUP 0.85 #QF 0.50)
&rst
ixpk= 0, nxpk= 0, iat= 871,1497, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 119 ILE HB 119 ILE QD1 3.44 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1973, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1982,1983,1984,
&end
#
# 116 LEU HA 119 ILE HB 4.23 (#SUP 0.38 #QF 0.38)
&rst
ixpk= 0, nxpk= 0, iat=1908,1973, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 32 ILE HB 69 SER HB2 4.61 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= 512,1104, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 33 GLU HA 33 GLU HG3 3.87 (#SUP 0.87 #QF 0.32)
&rst
ixpk= 0, nxpk= 0, iat= 529, 535, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 71 PRO HA 76 ILE HB 5.24 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat=1143,1214, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 76 ILE HB 77 PRO HD3 4.54 (#SUP 0.72 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat=1214,1231, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 71 PRO HB2 76 ILE HB 4.66 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat=1140,1214, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 79 GLU HA 79 GLU HG2 3.74 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1261,1266, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 10 ILE QD1 79 GLU HG2 3.92 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 162, 163, 164,
&end
#
# 27 PHE HB2 31 THR QG2 4.60 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 500, 501, 502,
&end
#
# 27 PHE HB3 31 THR QG2 4.69 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 500, 501, 502,
&end
#
# 52 TYR HB3 57 THR QG2 4.36 (#SUP 0.74 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat= 850, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 929, 930, 931,
&end
#
# 27 PHE HB3 32 ILE QD1 4.63 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 521, 522, 523,
&end
#
# 83 GLU HA 83 GLU HG2 4.20 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat=1327,1332, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 83 GLU HA 83 GLU HG3 4.20 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat=1327,1333, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 80 LYS HA 83 GLU HG3 4.47 (#SUP 0.60 #QF 0.60)
&rst
ixpk= 0, nxpk= 0, iat=1276,1333, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 67 GLU HA 67 GLU HG2 4.14 (#SUP 0.88 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat=1071,1076, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 80 LYS HA 83 GLU HG2 4.47 (#SUP 0.88 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat=1276,1332, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 42 GLU HA 42 GLU HG2 3.96 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 687, 692, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 42 GLU HA 42 GLU HG3 3.96 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 687, 693, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 35 GLU HA 35 GLU HG2 4.12 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 558, 563, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 76 ILE HB 76 ILE QD1 3.57 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat=1214, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=1223,1224,1225,
&end
#
# 31 THR QG2 32 ILE HB 5.39 (#SUP 0.94 #QF 0.60)
&rst
ixpk= 0, nxpk= 0, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 500, 501, 502,
&end
#
# 32 ILE HB 73 ALA QB 5.50 (#SUP 0.94 #QF 0.60)
&rst
ixpk= 0, nxpk= 0, iat= 512, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1170,1171,1172,
&end
#
# 35 GLU HA 35 GLU HG3 4.12 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= 558, 564, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 76 ILE H 76 ILE HB 3.64 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat=1210,1214, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 79 GLU H 79 GLU HG3 4.79 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1259,1267, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 79 GLU H 79 GLU HG2 4.79 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1259,1266, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 79 GLU HG2 80 LYS H 4.36 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat=1266,1274, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 96 LYS HB2 97 TYR H 4.38 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat=1554,1572, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 27 PHE HB3 28 SER H 5.15 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 444, 459, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 91 GLN HE22 94 GLU HG2 4.77 (#SUP 0.23 #QF 0.23)
&rst
ixpk= 0, nxpk= 0, iat=1483,1523, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 31 THR H 32 ILE HB 5.50 (#SUP 0.92 #QF 0.62)
&rst
ixpk= 0, nxpk= 0, iat= 494, 512, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 TYR HB3 53 TYR H 4.36 (#SUP 0.56 #QF 0.56)
&rst
ixpk= 0, nxpk= 0, iat= 850, 866, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 114 LYS H 115 GLU HG3 5.50 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat=1869,1899, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 ASN HB2 68 VAL H 5.50 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1059,1084, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 TYR HB3 54 ILE H 4.73 (#SUP 0.43 #QF 0.43)
&rst
ixpk= 0, nxpk= 0, iat= 871, 887, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 48 ASN H 48 ASN HB2 3.79 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 778, 782, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 34 ASN HB3 36 LEU H 5.50 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat= 547, 571, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 ASP H 89 ASP QB 3.95 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat=1447, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=1451,1452,
&end
#
# 89 ASP QB 91 GLN H 4.83 (#SUP 0.26 #QF 0.26)
&rst
ixpk= 0, nxpk= 0, iat= -1,1470, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1451,1452,
&end
#
# 49 ARG HD3 53 TYR H 4.86 (#SUP 0.28 #QF 0.28)
&rst
ixpk= 0, nxpk= 0, iat= 803, 866, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 16 PHE HZ 35 GLU HG2 5.25 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 262, 563, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 16 PHE HZ 35 GLU HG3 5.25 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat= 262, 564, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 42 GLU H 42 GLU HG2 3.43 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= 685, 692, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 132 GLU HA 132 GLU QG 3.45 (#SUP 0.59 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat=2152, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=2157,2158,
&end
#
# 123 TRP HE3 125 GLU HG3 4.75 (#SUP 0.27 #QF 0.27)
&rst
ixpk= 0, nxpk= 0, iat=2050,2070, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 123 TRP HE3 125 GLU HG2 4.75 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat=2050,2069, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 125 GLU HA 125 GLU HG3 4.09 (#SUP 0.56 #QF 0.56)
&rst
ixpk= 0, nxpk= 0, iat=2064,2070, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 125 GLU HA 125 GLU HG2 4.09 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat=2064,2069, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 91 GLN HG3 92 ILE H 5.50 (#SUP 0.45 #QF 0.45)
&rst
ixpk= 0, nxpk= 0, iat=1478,1487, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 ARG H 44 ARG HB2 4.05 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 710, 714, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 77 PRO HB2 79 GLU H 4.87 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat=1236,1259, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 67 GLU H 68 VAL HB 5.50 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat=1069,1088, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 PRO HB3 78 VAL H 4.45 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat=1237,1243, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 106 VAL H 106 VAL HB 3.86 (#SUP 0.67 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat=1719,1723, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 38 LYS H 38 LYS QB 3.17 (#SUP 0.59 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat= 609, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2= 613, 614,
&end
#
# 132 GLU HB2 135 ASP H 4.59 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat=2154,2198, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 132 GLU H 132 GLU HB2 3.97 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2150,2154, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 123 TRP HZ2 144 MET HG3 5.50 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat=2044,2371, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 144 MET H 144 MET HG3 4.73 (#SUP 0.72 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat=2363,2371, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 144 MET H 144 MET HG2 4.73 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=2363,2370, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 68 VAL HB 70 LYS H 5.50 (#SUP 0.48 #QF 0.48)
&rst
ixpk= 0, nxpk= 0, iat=1088,1111, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 114 LYS H 114 LYS HB3 3.92 (#SUP 0.73 #QF 0.31)
&rst
ixpk= 0, nxpk= 0, iat=1869,1874, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 117 LYS H 117 LYS HB3 4.19 (#SUP 0.73 #QF 0.31)
&rst
ixpk= 0, nxpk= 0, iat=1925,1930, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 117 LYS HB3 136 TYR QE 4.67 (#SUP 0.65 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat=1930, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=2220,2225,
&end
#
# 146 LYS HB3 147 TYR H 4.40 (#SUP 0.64 #QF 0.64)
&rst
ixpk= 0, nxpk= 0, iat=2399,2416, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 146 LYS HB2 147 TYR H 4.07 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat=2398,2416, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 146 LYS HB2 147 TYR QD 4.65 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=2398, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=2424,2433,
&end
#
# 117 LYS HB2 118 LYS H 3.88 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1929,1947, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 117 LYS HB2 136 TYR QE 4.72 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1929, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=2220,2225,
&end
#
# 146 LYS HB2 147 TYR QE 5.11 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat=2398, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=2426,2431,
&end
#
# 117 LYS HB3 118 LYS H 4.06 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat=1930,1947, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 25 VAL HB 26 THR H 4.54 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 413, 425, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 24 ASP H 25 VAL HB 5.38 (#SUP 0.48 #QF 0.48)
&rst
ixpk= 0, nxpk= 0, iat= 397, 413, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 53 TYR QE 92 ILE HG12 5.50 (#SUP 0.61 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat= -1,1497, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 876, 881,
&end
#
# 25 VAL HB 27 PHE QD 4.91 (#SUP 0.46 #QF 0.46)
&rst
ixpk= 0, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 447, 455,
&end
#
# 53 TYR QE 92 ILE HG13 5.50 (#SUP 0.59 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat= -1,1498, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 876, 881,
&end
#
# 116 LEU H 117 LYS HB2 4.97 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat=1906,1929, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 133 LYS QB 136 TYR QE 5.50 (#SUP 0.55 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2169,2170,
igr2=2220,2225,
&end
#
# 109 LYS H 109 LYS HB3 3.61 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=1766,1771, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 140 ILE H 140 ILE HG12 3.99 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=2296,2306, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 84 LYS HB2 85 LEU H 3.52 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat=1344,1362, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 80 LYS H 80 LYS HB2 3.81 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat=1274,1278, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 123 TRP HH2 144 MET HB3 4.27 (#SUP 0.60 #QF 0.60)
&rst
ixpk= 0, nxpk= 0, iat=2046,2368, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 78 VAL H 78 VAL HB 3.87 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1243,1247, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 112 ARG H 112 ARG HB3 3.90 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat=1829,1834, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 78 VAL HB 79 GLU H 4.32 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat=1247,1259, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 144 MET H 144 MET HB2 3.38 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat=2363,2367, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 123 TRP HH2 144 MET HB2 4.27 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat=2046,2367, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 21 LYS H 21 LYS QB 3.80 (#SUP 0.92 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 343, 344,
&end
#
# 112 ARG HB2 115 GLU H 4.25 (#SUP 0.69 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat=1833,1891, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 112 ARG H 115 GLU HB3 4.30 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat=1829,1896, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 137 ILE H 137 ILE HG13 3.62 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=2231,2242, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 137 ILE H 137 ILE HG12 3.99 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=2231,2241, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 115 GLU HB2 116 LEU H 4.26 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat=1895,1906, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 112 ARG H 115 GLU HB2 4.15 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1829,1895, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 143 LEU H 144 MET HB2 5.20 (#SUP 0.35 #QF 0.35)
&rst
ixpk= 0, nxpk= 0, iat=2344,2367, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 136 TYR QD 140 ILE HG13 4.65 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat= -1,2307, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=2218,2227,
&end
#
# 23 ARG QB 24 ASP H 5.08 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat= -1, 397, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 377, 378,
&end
#
# 23 ARG QB 23 ARG HE 5.18 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat= -1, 386, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 377, 378,
&end
#
# 115 GLU H 115 GLU HB2 3.68 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat=1891,1895, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 15 ARG H 15 ARG HB3 3.70 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat= 226, 231, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 136 TYR QD 137 ILE HG13 5.03 (#SUP 0.59 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat= -1,2242, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1=2218,2227,
&end
#
# 41 ARG HB3 42 GLU H 4.18 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 666, 685, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 91 GLN HE22 94 GLU HB3 4.46 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1483,1521, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 91 GLN HE22 94 GLU HB2 4.46 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat=1483,1520, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 109 LYS H 137 ILE HG12 5.02 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1766,2241, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 136 TYR H 137 ILE HG12 5.50 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat=2210,2241, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 108 LEU H 137 ILE HG12 5.50 (#SUP 0.67 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat=1747,2241, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 138 ARG H 138 ARG QB 3.35 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat=2250, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2=2254,2255,
&end
#
# 115 GLU HB2 117 LYS H 5.50 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat=1895,1925, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 ILE H 37 ILE HG12 4.04 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= 590, 600, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 115 GLU HB3 116 LEU H 4.17 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat=1896,1906, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 82 CYS H 83 GLU QB 4.92 (#SUP 0.27 #QF 0.27)
&rst
ixpk= 0, nxpk= 0, iat=1315, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1329,1330,
&end
#
# 137 ILE H 138 ARG QB 5.06 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat=2231, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=2254,2255,
&end
#
# 138 ARG QB 139 LYS H 3.80 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= -1,2274, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=2254,2255,
&end
#
# 37 ILE H 37 ILE HG13 3.90 (#SUP 0.85 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= 590, 601, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 37 ILE H 38 LYS QD 4.30 (#SUP 0.85 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 619, 620,
&end
#
# 123 TRP HB3 123 TRP HE3 4.15 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat=2036,2050, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 123 TRP HB2 123 TRP HE3 4.02 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=2035,2050, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 86 LYS QD 87 LYS H 4.83 (#SUP 0.58 #QF 0.58)
&rst
ixpk= 0, nxpk= 0, iat= -1,1403, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1391,1392,
&end
#
# 71 PRO HB2 74 HIS HD2 4.70 (#SUP 0.45 #QF 0.45)
&rst
ixpk= 0, nxpk= 0, iat=1140,1189, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 37 ILE HG12 38 LYS H 5.04 (#SUP 0.67 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat= 600, 609, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 146 LYS HD2 147 TYR QE 5.50 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat=2404, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2426,2431,
&end
#
# 120 LEU HA 123 TRP HB2 4.41 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat=1990,2035, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 120 LEU HA 123 TRP HB3 5.50 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1990,2036, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 ILE QG2 37 ILE HG12 3.30 (#SUP 0.98 #QF 0.62)
&rst
ixpk= 0, nxpk= 0, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 596, 597, 598,
&end
#
# 37 ILE HA 37 ILE HG12 3.98 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 592, 600, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 114 LYS HG3 114 LYS QD 2.66 (#SUP 0.83 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat=1877, -1, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,
igr2=1879,1880,
&end
#
# 65 ILE HA 65 ILE HG12 3.79 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1038,1046, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 41 ARG HB3 41 ARG QD 3.55 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 666, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 671, 672,
&end
#
# 70 LYS HB3 71 PRO QD 3.39 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2=1134,1135,
&end
#
# 140 ILE HA 142 GLU HB2 4.53 (#SUP 0.22 #QF 0.22)
&rst
ixpk= 0, nxpk= 0, iat=2298,2333, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 109 LYS HA 133 LYS QD 3.91 (#SUP 0.25 #QF 0.25)
&rst
ixpk= 0, nxpk= 0, iat=1768, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2=2175,2176,
&end
#
# 114 LYS HA 114 LYS QD 4.46 (#SUP 0.90 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat=1871, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1879,1880,
&end
#
# 109 LYS QD 109 LYS QE 2.88 (#SUP 0.72 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr1=1776,1777,
igr2=1779,1780,
&end
#
# 35 GLU HA 38 LYS QD 3.53 (#SUP 0.55 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat= 558, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 619, 620,
&end
#
# 34 ASN HA 38 LYS QD 4.53 (#SUP 0.50 #QF 0.50)
&rst
ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 619, 620,
&end
#
# 86 LYS HA 86 LYS QD 4.40 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat=1383, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1391,1392,
&end
#
# 37 ILE QG2 37 ILE HG13 3.24 (#SUP 0.72 #QF 0.32)
&rst
ixpk= 0, nxpk= 0, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 596, 597, 598,
&end
#
# 10 ILE QD1 79 GLU HB3 3.86 (#SUP 0.57 #QF 0.57)
&rst
ixpk= 0, nxpk= 0, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 162, 163, 164,
&end
#
# 30 ALA QB 33 GLU HB2 4.73 (#SUP 0.61 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat= -1, 531, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 488, 489, 490,
&end
#
# 74 HIS HB2 76 ILE HG13 3.77 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat=1180,1221, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 114 LYS QD 114 LYS QE 2.72 (#SUP 0.88 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr1=1879,1880,
igr2=1882,1883,
&end
#
# 86 LYS HB2 86 LYS QD 3.59 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat=1385, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2=1391,1392,
&end
#
# 70 LYS HB2 71 PRO HB3 4.14 (#SUP 0.50 #QF 0.50)
&rst
ixpk= 0, nxpk= 0, iat=1115,1141, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 37 ILE QG2 41 ARG HB2 5.39 (#SUP 0.77 #QF 0.64)
&rst
ixpk= 0, nxpk= 0, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 596, 597, 598,
&end
#
# 137 ILE QG2 138 ARG QB 5.50 (#SUP 0.77 #QF 0.64)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2237,2238,2239,
igr2=2254,2255,
&end
#
# 71 PRO HB3 76 ILE QD1 3.42 (#SUP 0.44 #QF 0.44)
&rst
ixpk= 0, nxpk= 0, iat=1141, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1223,1224,1225,
&end
#
# 86 LYS HB3 86 LYS QD 3.59 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat=1386, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2=1391,1392,
&end
#
# 111 LEU HB3 115 GLU HB2 4.38 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1815,1895, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 111 LEU HG 115 GLU HB2 4.75 (#SUP 0.98 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1817,1895, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 112 ARG HB2 115 GLU HB2 5.16 (#SUP 0.98 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1833,1895, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 108 LEU HB3 137 ILE HG12 4.26 (#SUP 0.92 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat=1752,2241, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 133 LYS QG 137 ILE HG12 4.73 (#SUP 0.92 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat= -1,2241, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=2172,2173,
&end
#
# 71 PRO HB3 77 PRO HD2 4.74 (#SUP 0.39 #QF 0.39)
&rst
ixpk= 0, nxpk= 0, iat=1141,1230, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 134 SER HA 137 ILE HG13 4.36 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat=2189,2242, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 141 ASN HA 144 MET HB2 4.18 (#SUP 0.51 #QF 0.51)
&rst
ixpk= 0, nxpk= 0, iat=2317,2367, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 140 ILE QG2 144 MET HB2 4.22 (#SUP 0.64 #QF 0.64)
&rst
ixpk= 0, nxpk= 0, iat= -1,2367, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=2302,2303,2304,
&end
#
# 112 ARG HB2 112 ARG QD 4.00 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1833, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1839,1840,
&end
#
# 145 PRO HB3 146 LYS HA 5.43 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=2388,2396, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 140 ILE HA 140 ILE HG13 4.01 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat=2298,2307, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 81 ILE HA 84 LYS HB2 3.68 (#SUP 0.44 #QF 0.44)
&rst
ixpk= 0, nxpk= 0, iat=1298,1344, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 112 ARG HB3 112 ARG QD 3.84 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1834, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=1839,1840,
&end
#
# 112 ARG HB2 115 GLU HG2 3.90 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=1833,1898, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 119 ILE QG2 140 ILE HG13 4.41 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= -1,2307, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1975,1976,1977,
&end
#
# 119 ILE HB 140 ILE HG13 4.28 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1973,2307, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 109 LYS HB2 109 LYS QE 3.86 (#SUP 0.63 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat=1770, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2=1779,1780,
&end
#
# 145 PRO HB2 146 LYS HA 4.25 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat=2387,2396, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 14 GLY HA3 78 VAL HB 4.02 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= 222,1247, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 84 LYS HB2 84 LYS QE 4.88 (#SUP 0.73 #QF 0.36)
&rst
ixpk= 0, nxpk= 0, iat=1344, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1353,1354,
&end
#
# 114 LYS HA 117 LYS HB2 3.95 (#SUP 0.41 #QF 0.41)
&rst
ixpk= 0, nxpk= 0, iat=1871,1929, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 114 LYS HB3 114 LYS QE 4.50 (#SUP 0.89 #QF 0.46)
&rst
ixpk= 0, nxpk= 0, iat=1874, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1882,1883,
&end
#
# 117 LYS HB3 117 LYS QE 4.79 (#SUP 0.89 #QF 0.46)
&rst
ixpk= 0, nxpk= 0, iat=1930, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1938,1939,
&end
#
# 89 ASP QB 92 ILE HG12 4.79 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat= -1,1497, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=1451,1452,
&end
#
# 140 ILE QG2 144 MET HG2 4.47 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat= -1,2370, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=2302,2303,2304,
&end
#
# 140 ILE QG2 144 MET HG3 4.47 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1,2371, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=2302,2303,2304,
&end
#
# 131 ALA QB 132 GLU HB2 4.96 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,2154, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=2144,2145,2146,
&end
#
# 120 LEU HB3 125 GLU HB3 3.95 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat=1993,2067, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 120 LEU QD1 125 GLU HB2 4.35 (#SUP 0.61 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat= -1,2066, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1997,1998,1999,
&end
#
# 120 LEU QD2 125 GLU HB2 4.06 (#SUP 0.50 #QF 0.50)
&rst
ixpk= 0, nxpk= 0, iat= -1,2066, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1=2001,2002,2003,
&end
#
# 120 LEU QD2 125 GLU HB3 5.09 (#SUP 0.85 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat= -1,2067, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=2001,2002,2003,
&end
#
# 144 MET HG2 144 MET QE 4.00 (#SUP 0.96 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=2370, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=2374,2375,2376,
&end
#
# 144 MET HA 144 MET HG2 4.03 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat=2365,2370, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 144 MET HA 144 MET HG3 4.03 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat=2365,2371, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 141 ASN HA 144 MET HG3 4.76 (#SUP 0.51 #QF 0.51)
&rst
ixpk= 0, nxpk= 0, iat=2317,2371, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 141 ASN HA 144 MET HG2 4.76 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat=2317,2370, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 120 LEU QD1 125 GLU HB3 4.90 (#SUP 0.56 #QF 0.56)
&rst
ixpk= 0, nxpk= 0, iat= -1,2067, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1997,1998,1999,
&end
#
# 131 ALA QB 132 GLU HB3 3.61 (#SUP 0.65 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat= -1,2155, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1=2144,2145,2146,
&end
#
# 120 LEU HB2 125 GLU HB3 3.39 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat=1992,2067, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 117 LYS HB2 117 LYS QE 4.49 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1929, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1938,1939,
&end
#
# 146 LYS HB2 146 LYS QE 4.67 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=2398, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=2407,2408,
&end
#
# 24 ASP HA 25 VAL HB 5.50 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat= 399, 413, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 143 LEU HA 146 LYS HB2 4.57 (#SUP 0.25 #QF 0.25)
&rst
ixpk= 0, nxpk= 0, iat=2346,2398, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 77 PRO HB2 78 VAL QG1 4.78 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat=1236, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=1249,1250,1251,
&end
#
# 99 LYS HB2 99 LYS QE 5.16 (#SUP 0.82 #QF 0.43)
&rst
ixpk= 0, nxpk= 0, iat=1609, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=1618,1619,
&end
#
# 38 LYS QB 38 LYS QE 3.73 (#SUP 0.86 #QF 0.57)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 613, 614,
igr2= 622, 623,
&end
#
# 144 MET HG3 145 PRO HD2 5.03 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=2371,2381, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 143 LEU HA 146 LYS HB3 4.90 (#SUP 0.49 #QF 0.49)
&rst
ixpk= 0, nxpk= 0, iat=2346,2399, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 56 ALA QB 57 THR HB 5.49 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= -1, 927, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 917, 918, 919,
&end
#
# 52 TYR QD 57 THR HB 5.14 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat= -1, 927, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 853, 862,
&end
#
# 25 VAL H 26 THR HB 5.50 (#SUP 0.44 #QF 0.44)
&rst
ixpk= 0, nxpk= 0, iat= 409, 429, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 PRO HG3 31 THR HB 4.60 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 475, 498, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 31 THR HB 32 ILE QG2 5.50 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 514, 515, 516,
&end
#
# 31 THR HB 32 ILE QD1 4.94 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 521, 522, 523,
&end
#
# 31 THR HB 33 GLU H 5.50 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 498, 527, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 PRO HA 31 THR H 5.47 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat= 480, 494, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 145 PRO HA 147 TYR H 4.95 (#SUP 0.36 #QF 0.36)
&rst
ixpk= 0, nxpk= 0, iat=2390,2416, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 68 VAL HA 72 LEU HB2 4.64 (#SUP 0.50 #QF 0.50)
&rst
ixpk= 0, nxpk= 0, iat=1086,1151, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 76 ILE HB 77 PRO HA 4.70 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat=1214,1239, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 52 TYR HA 55 GLY H 4.26 (#SUP 0.84 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat= 847, 906, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 90 SER HA 92 ILE H 4.50 (#SUP 0.84 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat=1461,1487, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 89 ASP QB 90 SER HA 5.34 (#SUP 0.80 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat= -1,1461, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1451,1452,
&end
#
# 138 ARG HA 141 ASN H 3.99 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat=2252,2315, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 83 GLU HA 86 LYS H 4.40 (#SUP 0.36 #QF 0.36)
&rst
ixpk= 0, nxpk= 0, iat=1327,1381, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 35 GLU HA 38 LYS QE 3.75 (#SUP 0.30 #QF 0.30)
&rst
ixpk= 0, nxpk= 0, iat= 558, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2= 622, 623,
&end
#
# 110 LYS HA 110 LYS QE 4.19 (#SUP 0.65 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat=1790, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1801,1802,
&end
#
# 32 ILE HG12 73 ALA HA 5.50 (#SUP 0.66 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat= 518,1168, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 LEU HG 73 ALA HA 5.46 (#SUP 0.58 #QF 0.58)
&rst
ixpk= 0, nxpk= 0, iat=1154,1168, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 73 ALA HA 75 HIS H 4.86 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1168,1193, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 74 HIS HB2 77 PRO HD3 5.48 (#SUP 0.38 #QF 0.38)
&rst
ixpk= 0, nxpk= 0, iat=1180,1231, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 37 ILE HB 56 ALA HA 5.28 (#SUP 0.98 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 594, 915, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 56 ALA HA 65 ILE HB 5.50 (#SUP 0.98 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 915,1040, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 147 TYR HB3 149 PRO HD2 4.95 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat=2421,2448, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 147 TYR HB2 149 PRO HD2 5.21 (#SUP 0.72 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat=2420,2448, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 147 TYR H 149 PRO HD3 5.36 (#SUP 0.52 #QF 0.52)
&rst
ixpk= 0, nxpk= 0, iat=2416,2449, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 14 GLY HA2 79 GLU HA 5.50 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat= 221,1261, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 LEU H 14 GLY HA3 5.26 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 200, 222, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 14 GLY HA3 17 TYR H 5.50 (#SUP 0.27 #QF 0.27)
&rst
ixpk= 0, nxpk= 0, iat= 222, 270, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 GLY HA3 18 GLN H 5.50 (#SUP 0.69 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat= 222, 291, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 112 ARG HA 112 ARG QD 4.21 (#SUP 0.40 #QF 0.40)
&rst
ixpk= 0, nxpk= 0, iat=1831, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1839,1840,
&end
#
# 138 ARG HA 138 ARG QD 4.66 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat=2252, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2=2260,2261,
&end
#
# 135 ASP HA 138 ARG QD 3.83 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat=2200, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=2260,2261,
&end
#
# 39 PHE H 41 ARG QD 5.50 (#SUP 0.76 #QF 0.37)
&rst
ixpk= 0, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 671, 672,
&end
#
# 112 ARG QD 113 VAL H 5.50 (#SUP 0.76 #QF 0.37)
&rst
ixpk= 0, nxpk= 0, iat= -1,1853, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1839,1840,
&end
#
# 111 LEU HB2 115 GLU HB2 4.38 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1814,1895, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 20 LEU HB3 21 LYS HG2 4.99 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat= 325, 346, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 87 LYS QB 87 LYS QE 2.66 (#SUP 0.53 #QF 0.39)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,
igr1=1407,1408,
igr2=1416,1417,
&end
#
# 101 ILE QD1 103 LEU HB2 3.76 (#SUP 0.65 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat= -1,1679, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1=1657,1658,1659,
&end
#
# 17 TYR HA 20 LEU HB2 4.34 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat= 272, 324, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 21 LYS QB 21 LYS HE2 4.42 (#SUP 0.59 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat= -1, 352, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 343, 344,
&end
#
# 13 LEU HB2 13 LEU QD1 4.12 (#SUP 0.99 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 209, 210, 211,
&end
#
# 13 LEU HB2 81 ILE QD1 4.45 (#SUP 0.99 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1309,1310,1311,
&end
#
# 35 GLU HA 39 PHE HB2 4.77 (#SUP 0.55 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat= 558, 635, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 38 LYS HA 39 PHE HB2 5.50 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat= 611, 635, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 TYR HB3 50 LEU HG 5.50 (#SUP 0.35 #QF 0.35)
&rst
ixpk= 0, nxpk= 0, iat= 184, 823, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 TYR HB2 47 GLU HB2 4.99 (#SUP 0.30 #QF 0.30)
&rst
ixpk= 0, nxpk= 0, iat= 183, 767, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 119 ILE HA 122 ASP HB3 4.29 (#SUP 0.52 #QF 0.52)
&rst
ixpk= 0, nxpk= 0, iat=1971,2024, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 10 ILE HB 13 LEU HB2 5.50 (#SUP 0.56 #QF 0.23)
&rst
ixpk= 0, nxpk= 0, iat= 153, 204, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 PHE HB2 18 GLN H 5.50 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 254, 291, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 137 ILE HB 139 LYS H 5.50 (#SUP 0.50 #QF 0.50)
&rst
ixpk= 0, nxpk= 0, iat=2235,2274, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 ILE HB 66 ASN H 4.49 (#SUP 0.58 #QF 0.58)
&rst
ixpk= 0, nxpk= 0, iat=1040,1055, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 36 LEU H 37 ILE HB 5.08 (#SUP 0.41 #QF 0.41)
&rst
ixpk= 0, nxpk= 0, iat= 571, 594, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 140 ILE HB 141 ASN HD21 5.20 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat=2300,2324, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 89 ASP QB 92 ILE HB 4.61 (#SUP 0.74 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat= -1,1491, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1=1451,1452,
&end
#
# 137 ILE HB 140 ILE H 5.50 (#SUP 0.89 #QF 0.52)
&rst
ixpk= 0, nxpk= 0, iat=2235,2296, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 137 ILE HB 141 ASN H 5.50 (#SUP 0.89 #QF 0.52)
&rst
ixpk= 0, nxpk= 0, iat=2235,2315, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 114 LYS H 115 GLU HG2 5.22 (#SUP 0.56 #QF 0.56)
&rst
ixpk= 0, nxpk= 0, iat=1869,1898, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 51 CYS H 52 TYR HB3 4.88 (#SUP 0.63 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat= 835, 850, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 30 ALA QB 33 GLU HG2 4.73 (#SUP 0.63 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat= -1, 534, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 488, 489, 490,
&end
#
# 141 ASN HB3 142 GLU HA 4.90 (#SUP 0.40 #QF 0.40)
&rst
ixpk= 0, nxpk= 0, iat=2320,2331, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 52 TYR HB3 53 TYR HA 4.91 (#SUP 0.64 #QF 0.64)
&rst
ixpk= 0, nxpk= 0, iat= 850, 868, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 51 CYS HA 52 TYR HB3 5.50 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat= 837, 850, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 ILE HB 33 GLU HG2 4.99 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= 512, 534, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 74 HIS HB2 76 ILE HB 5.40 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1180,1214, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 67 GLU HA 67 GLU HG3 4.14 (#SUP 0.67 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat=1071,1077, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 83 GLU HG3 84 LYS QE 5.13 (#SUP 0.27 #QF 0.27)
&rst
ixpk= 0, nxpk= 0, iat=1333, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1353,1354,
&end
#
# 83 GLU HG2 84 LYS QE 5.13 (#SUP 0.36 #QF 0.36)
&rst
ixpk= 0, nxpk= 0, iat=1332, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1353,1354,
&end
#
# 32 ILE HA 35 GLU HG3 4.75 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= 510, 564, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 34 ASN HB3 35 GLU HG3 5.36 (#SUP 0.22 #QF 0.22)
&rst
ixpk= 0, nxpk= 0, iat= 547, 564, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 34 ASN HB3 35 GLU HG2 5.36 (#SUP 0.62 #QF 0.62)
&rst
ixpk= 0, nxpk= 0, iat= 547, 563, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 96 LYS HB3 96 LYS QE 4.61 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat=1555, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2=1563,1564,
&end
#
# 96 LYS HB2 96 LYS QE 4.61 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat=1554, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2=1563,1564,
&end
#
# 32 ILE QD1 35 GLU HG2 5.50 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1, 563, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 521, 522, 523,
&end
#
# 132 GLU HB3 132 GLU QG 2.79 (#SUP 0.91 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat=2155, -1, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,
igr2=2157,2158,
&end
#
# 91 GLN HA 91 GLN HG2 3.59 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat=1472,1477, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 91 GLN HA 91 GLN HG3 4.04 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1472,1478, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 43 ALA HA 44 ARG HB3 5.27 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= 702, 715, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 18 GLN QG 21 LYS H 5.50 (#SUP 0.26 #QF 0.26)
&rst
ixpk= 0, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 298, 299,
&end
#
# 36 LEU HG 68 VAL HB 5.48 (#SUP 0.99 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 578,1088, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 65 ILE HA 68 VAL HB 4.80 (#SUP 0.83 #QF 0.53)
&rst
ixpk= 0, nxpk= 0, iat=1038,1088, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 68 VAL HB 69 SER HA 5.14 (#SUP 0.83 #QF 0.53)
&rst
ixpk= 0, nxpk= 0, iat=1088,1102, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 36 LEU HB2 68 VAL HB 4.61 (#SUP 0.46 #QF 0.46)
&rst
ixpk= 0, nxpk= 0, iat= 575,1088, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 99 LYS HB3 99 LYS QE 5.16 (#SUP 0.45 #QF 0.45)
&rst
ixpk= 0, nxpk= 0, iat=1610, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=1618,1619,
&end
#
# 150 LYS QB 151 ALA H 4.48 (#SUP 0.54 #QF 0.54)
&rst
ixpk= 0, nxpk= 0, iat= -1,2483, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=2465,2466,
&end
#
# 38 LYS QB 39 PHE QD 4.27 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 613, 614,
igr2= 639, 647,
&end
#
# 37 ILE QG2 38 LYS QB 4.08 (#SUP 0.22 #QF 0.22)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 596, 597, 598,
igr2= 613, 614,
&end
#
# 87 LYS QB 87 LYS QD 2.98 (#SUP 0.79 #QF 0.42)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1=1407,1408,
igr2=1413,1414,
&end
#
# 146 LYS H 146 LYS HB2 3.61 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=2394,2398, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 53 TYR HB3 92 ILE HG13 4.78 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 871,1498, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 89 ASP QB 92 ILE HG13 4.79 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat= -1,1498, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=1451,1452,
&end
#
# 38 LYS QB 38 LYS QD 2.88 (#SUP 0.66 #QF 0.36)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr1= 613, 614,
igr2= 619, 620,
&end
#
# 148 ALA QB 149 PRO HB3 4.22 (#SUP 0.39 #QF 0.39)
&rst
ixpk= 0, nxpk= 0, iat= -1,2455, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=2441,2442,2443,
&end
#
# 18 GLN HE21 21 LYS QB 4.84 (#SUP 0.74 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 343, 344,
&end
#
# 112 ARG HB2 114 LYS H 4.98 (#SUP 0.40 #QF 0.40)
&rst
ixpk= 0, nxpk= 0, iat=1833,1869, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 78 VAL HB 81 ILE QD1 3.91 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat=1247, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1309,1310,1311,
&end
#
# 13 LEU HB3 78 VAL HB 4.15 (#SUP 0.33 #QF 0.33)
&rst
ixpk= 0, nxpk= 0, iat= 205,1247, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 145 PRO HB2 146 LYS HD2 4.28 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat=2387,2404, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 123 TRP HZ2 144 MET HB3 5.50 (#SUP 0.69 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat=2044,2368, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 144 MET HB3 146 LYS H 5.50 (#SUP 0.69 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat=2368,2394, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 140 ILE QG2 144 MET HB3 3.98 (#SUP 0.29 #QF 0.29)
&rst
ixpk= 0, nxpk= 0, iat= -1,2368, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1=2302,2303,2304,
&end
#
# 74 HIS HB3 76 ILE HG13 3.76 (#SUP 0.56 #QF 0.56)
&rst
ixpk= 0, nxpk= 0, iat=1181,1221, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 74 HIS HB2 75 HIS HD2 5.50 (#SUP 0.32 #QF 0.32)
&rst
ixpk= 0, nxpk= 0, iat=1180,1206, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 HIS HB3 75 HIS HD2 5.50 (#SUP 0.38 #QF 0.38)
&rst
ixpk= 0, nxpk= 0, iat=1181,1206, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 PRO HA 74 HIS HB3 5.05 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=1143,1181, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 73 ALA QB 74 HIS HB3 4.98 (#SUP 0.62 #QF 0.62)
&rst
ixpk= 0, nxpk= 0, iat= -1,1181, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1=1170,1171,1172,
&end
#
# 74 HIS HB3 76 ILE QG2 5.14 (#SUP 0.51 #QF 0.51)
&rst
ixpk= 0, nxpk= 0, iat=1181, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1216,1217,1218,
&end
#
# 73 ALA QB 74 HIS HB2 5.04 (#SUP 0.50 #QF 0.50)
&rst
ixpk= 0, nxpk= 0, iat= -1,1180, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1170,1171,1172,
&end
#
# 71 PRO HB2 74 HIS HB2 4.87 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat=1140,1180, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 37 ILE QG2 41 ARG HB3 4.27 (#SUP 0.33 #QF 0.33)
&rst
ixpk= 0, nxpk= 0, iat= -1, 666, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 596, 597, 598,
&end
#
# 86 LYS QG 86 LYS QD 2.87 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,
igr1=1388,1389,
igr2=1391,1392,
&end
#
# 49 ARG QB 50 LEU H 3.44 (#SUP 0.99 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat= -1, 816, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1= 796, 797,
&end
#
# 70 LYS H 70 LYS HB3 3.61 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1111,1116, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 146 LYS HA 146 LYS HD3 4.94 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat=2396,2405, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 28 SER H 32 ILE HG12 4.85 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 459, 518, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 27 PHE QD 32 ILE HG12 5.16 (#SUP 0.99 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 447, 455,
&end
#
# 32 ILE HG12 33 GLU H 5.25 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= 518, 527, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 21 LYS QD 75 HIS HD2 4.25 (#SUP 0.25 #QF 0.25)
&rst
ixpk= 0, nxpk= 0, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 349, 350,
&end
#
# 146 LYS HD3 147 TYR QE 5.50 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=2405, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2426,2431,
&end
#
# 16 PHE HZ 35 GLU HB3 4.43 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat= 262, 561, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 49 ARG QB 53 TYR QE 4.53 (#SUP 0.58 #QF 0.58)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 796, 797,
igr2= 876, 881,
&end
#
# 35 GLU HB3 39 PHE QD 4.77 (#SUP 0.63 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 639, 647,
&end
#
# 33 GLU HB3 34 ASN H 4.25 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= 532, 542, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 16 PHE HZ 35 GLU HB2 4.43 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 262, 560, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 35 GLU HB2 39 PHE QD 4.77 (#SUP 0.97 #QF 0.46)
&rst
ixpk= 0, nxpk= 0, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 639, 647,
&end
#
# 33 GLU H 33 GLU HB3 3.95 (#SUP 0.96 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= 527, 532, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 33 GLU H 33 GLU HB2 3.50 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 527, 531, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 119 ILE H 119 ILE HG12 3.59 (#SUP 0.47 #QF 0.47)
&rst
ixpk= 0, nxpk= 0, iat=1969,1979, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 114 LYS H 114 LYS QD 4.16 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1869, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1879,1880,
&end
#
# 28 SER H 32 ILE HG13 4.06 (#SUP 0.33 #QF 0.33)
&rst
ixpk= 0, nxpk= 0, iat= 459, 519, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 27 PHE HA 32 ILE HG12 4.49 (#SUP 0.52 #QF 0.52)
&rst
ixpk= 0, nxpk= 0, iat= 441, 518, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 119 ILE HA 119 ILE HG13 3.82 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1971,1980, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 31 THR QG2 32 ILE HG12 4.58 (#SUP 0.96 #QF 0.60)
&rst
ixpk= 0, nxpk= 0, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 500, 501, 502,
&end
#
# 20 LEU QD2 32 ILE HG12 5.50 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 333, 334, 335,
&end
#
# 20 LEU QD1 32 ILE HG12 5.50 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 329, 330, 331,
&end
#
# 119 ILE QG2 119 ILE HG13 3.72 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1,1980, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=1975,1976,1977,
&end
#
# 33 GLU HB2 65 ILE QD1 3.39 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 531, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1049,1050,1051,
&end
#
# 33 GLU HB3 65 ILE QD1 3.44 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1049,1050,1051,
&end
#
# 146 LYS HA 146 LYS HD2 4.95 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat=2396,2404, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 145 PRO HA 146 LYS HD2 5.50 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat=2390,2404, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 143 LEU HA 146 LYS HD2 4.69 (#SUP 0.24 #QF 0.24)
&rst
ixpk= 0, nxpk= 0, iat=2346,2404, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 32 ILE HA 35 GLU HB2 4.85 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 510, 560, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 70 LYS HB3 70 LYS QE 4.21 (#SUP 0.40 #QF 0.40)
&rst
ixpk= 0, nxpk= 0, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1124,1125,
&end
#
# 70 LYS HB2 70 LYS QE 4.24 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1124,1125,
&end
#
# 32 ILE HA 32 ILE HG13 4.23 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 510, 519, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 150 LYS HA 150 LYS QD 3.53 (#SUP 0.59 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat=2463, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=2471,2472,
&end
#
# 21 LYS HA 21 LYS QD 5.02 (#SUP 0.97 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 349, 350,
&end
#
# 119 ILE QG2 119 ILE HG12 3.72 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= -1,1979, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=1975,1976,1977,
&end
#
# 79 GLU H 79 GLU HB2 3.75 (#SUP 0.91 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat=1259,1263, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 79 GLU HB2 80 LYS H 4.32 (#SUP 0.75 #QF 0.60)
&rst
ixpk= 0, nxpk= 0, iat=1263,1274, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 84 LYS H 84 LYS HD3 4.38 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1340,1351, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 15 ARG HA 15 ARG HG2 4.02 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 228, 233, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 41 ARG HA 41 ARG HG2 3.86 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 663, 668, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 91 GLN HB3 92 ILE QD1 4.22 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat=1475, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1500,1501,1502,
&end
#
# 41 ARG HA 41 ARG HG3 3.86 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 663, 669, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 29 PRO HG2 31 THR QG2 4.26 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 500, 501, 502,
&end
#
# 145 PRO HG3 146 LYS HD2 3.95 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat=2385,2404, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 91 GLN HB2 92 ILE QD1 4.19 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=1474, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1500,1501,1502,
&end
#
# 88 LYS QD 88 LYS QE 2.96 (#SUP 0.43 #QF 0.43)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr1=1435,1436,
igr2=1438,1439,
&end
#
# 12 TYR QD 15 ARG HG2 4.39 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 187, 196,
&end
#
# 12 TYR QD 15 ARG HG3 4.39 (#SUP 0.63 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat= -1, 234, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 187, 196,
&end
#
# 87 LYS H 87 LYS QD 3.98 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat=1403, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1413,1414,
&end
#
# 21 LYS H 21 LYS QD 5.02 (#SUP 0.88 #QF 0.52)
&rst
ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 349, 350,
&end
#
# 53 TYR QE 91 GLN HB3 4.65 (#SUP 0.57 #QF 0.57)
&rst
ixpk= 0, nxpk= 0, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 876, 881,
&end
#
# 53 TYR QD 91 GLN HB2 5.00 (#SUP 0.59 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat= -1,1474, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 874, 883,
&end
#
# 71 PRO HG2 72 LEU H 3.79 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat=1137,1147, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 71 PRO HG2 74 HIS HD2 5.29 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat=1137,1189, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 119 ILE H 120 LEU QD2 3.20 (#SUP 0.29 #QF 0.29)
&rst
ixpk= 0, nxpk= 0, iat=1969, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=2001,2002,2003,
&end
#
# 91 GLN HB2 91 GLN HE22 5.15 (#SUP 0.62 #QF 0.62)
&rst
ixpk= 0, nxpk= 0, iat=1474,1483, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 74 HIS HD2 77 PRO QG 5.50 (#SUP 0.65 #QF 0.56)
&rst
ixpk= 0, nxpk= 0, iat=1189, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1233,1234,
&end
#
# 77 PRO QG 80 LYS H 5.50 (#SUP 0.65 #QF 0.56)
&rst
ixpk= 0, nxpk= 0, iat= -1,1274, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1233,1234,
&end
#
# 138 ARG H 138 ARG HG2 3.98 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=2250,2257, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 88 LYS H 88 LYS QD 4.22 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat=1425, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1435,1436,
&end
#
# 77 PRO QG 79 GLU H 5.18 (#SUP 0.42 #QF 0.42)
&rst
ixpk= 0, nxpk= 0, iat= -1,1259, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1233,1234,
&end
#
# 112 ARG H 112 ARG QG 4.10 (#SUP 0.38 #QF 0.38)
&rst
ixpk= 0, nxpk= 0, iat=1829, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1836,1837,
&end
#
# 145 PRO HG2 146 LYS HB3 4.17 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat=2384,2399, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 145 PRO HG2 146 LYS HA 4.44 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat=2384,2396, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 18 GLN HE22 21 LYS QD 4.72 (#SUP 0.79 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 349, 350,
&end
#
# 50 LEU HA 50 LEU QD1 4.31 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 818, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 825, 826, 827,
&end
#
# 120 LEU HB2 120 LEU QD2 3.43 (#SUP 0.82 #QF 0.40)
&rst
ixpk= 0, nxpk= 0, iat=1992, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=2001,2002,2003,
&end
#
# 74 HIS HB3 76 ILE HG12 4.19 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1181,1220, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 74 HIS HB2 76 ILE HG12 4.39 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1180,1220, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 112 ARG HA 112 ARG QG 3.62 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat=1831, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=1836,1837,
&end
#
# 71 PRO HB2 76 ILE HG13 4.69 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat=1140,1221, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 71 PRO HA 76 ILE HG12 5.03 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat=1143,1220, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 76 ILE HA 76 ILE HG13 4.05 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat=1212,1221, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 12 TYR HB2 50 LEU QD1 4.88 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 825, 826, 827,
&end
#
# 47 GLU HA 50 LEU QD1 3.91 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat= 765, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 825, 826, 827,
&end
#
# 44 ARG HB3 47 GLU HB2 4.24 (#SUP 0.69 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat= 715, 767, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 120 LEU QD2 126 THR H 4.51 (#SUP 0.76 #QF 0.41)
&rst
ixpk= 0, nxpk= 0, iat= -1,2077, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=2001,2002,2003,
&end
#
# 12 TYR QE 47 GLU HB2 5.13 (#SUP 0.44 #QF 0.44)
&rst
ixpk= 0, nxpk= 0, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 189, 194,
&end
#
# 49 ARG H 50 LEU QD1 5.02 (#SUP 0.38 #QF 0.38)
&rst
ixpk= 0, nxpk= 0, iat= 792, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 825, 826, 827,
&end
#
# 47 GLU HB2 49 ARG H 5.50 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 767, 792, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 ILE H 76 ILE HG12 3.78 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat=1210,1220, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 120 LEU QD2 121 ASP HA 4.38 (#SUP 0.47 #QF 0.47)
&rst
ixpk= 0, nxpk= 0, iat= -1,2009, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=2001,2002,2003,
&end
#
# 117 LYS HG2 120 LEU QD2 3.90 (#SUP 0.55 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat=1932, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=2001,2002,2003,
&end
#
# 13 LEU HA 13 LEU HG 3.72 (#SUP 0.36 #QF 0.36)
&rst
ixpk= 0, nxpk= 0, iat= 202, 207, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 138 ARG HA 138 ARG HG2 4.24 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat=2252,2257, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 43 ALA HA 47 GLU HB2 5.15 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= 702, 767, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 76 ILE QG2 76 ILE HG12 3.56 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= -1,1220, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1=1216,1217,1218,
&end
#
# 76 ILE HG13 77 PRO HD2 4.43 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1221,1230, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 71 PRO HA 76 ILE HG13 4.59 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=1143,1221, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 138 ARG HA 138 ARG HG3 4.24 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat=2252,2258, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 108 LEU HA 111 LEU HG 4.05 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat=1749,1817, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 64 ILE H 64 ILE HG13 3.94 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat=1017,1028, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 108 LEU H 108 LEU QD1 4.14 (#SUP 0.99 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1747, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1756,1757,1758,
&end
#
# 108 LEU HA 108 LEU HG 4.14 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1749,1754, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 54 ILE HA 64 ILE HG13 4.14 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 889,1028, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 54 ILE HA 64 ILE HG12 4.14 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat= 889,1027, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 50 LEU HA 50 LEU HG 4.02 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 818, 823, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 1 LEU HA 1 LEU HG 4.22 (#SUP 0.92 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat= 24, 29, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 111 LEU H 111 LEU HG 3.63 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1810,1817, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 110 LYS H 111 LEU HG 5.41 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat=1788,1817, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 158 LEU H 158 LEU HG 4.26 (#SUP 0.74 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat=2574,2581, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 1 LEU H 1 LEU HG 4.46 (#SUP 0.29 #QF 0.29)
&rst
ixpk= 0, nxpk= 0, iat= 22, 29, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 123 TRP HE3 143 LEU HG 4.79 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=2050,2351, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 72 LEU H 72 LEU HG 4.73 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat=1147,1154, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 108 LEU H 108 LEU HG 3.91 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1747,1754, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 143 LEU QD1 147 TYR QE 4.70 (#SUP 0.59 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1=2353,2354,2355,
igr2=2426,2431,
&end
#
# 143 LEU H 143 LEU QD1 3.84 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat=2344, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=2353,2354,2355,
&end
#
# 155 ARG HG3 158 LEU H 4.85 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat=2532,2574, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 108 LEU QD1 109 LYS H 5.32 (#SUP 0.96 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1,1766, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1=1756,1757,1758,
&end
#
# 16 PHE QD 72 LEU HG 5.50 (#SUP 0.45 #QF 0.27)
&rst
ixpk= 0, nxpk= 0, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 258, 266,
&end
#
# 108 LEU HA 108 LEU QD1 4.03 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1749, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1756,1757,1758,
&end
#
# 143 LEU HA 143 LEU QD1 4.09 (#SUP 0.55 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat=2346, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=2353,2354,2355,
&end
#
# 72 LEU HA 72 LEU HG 4.12 (#SUP 0.54 #QF 0.54)
&rst
ixpk= 0, nxpk= 0, iat=1149,1154, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 116 LEU QD1 136 TYR HB3 4.57 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,2215, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1915,1916,1917,
&end
#
# 72 LEU HA 72 LEU QD1 3.87 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat=1149, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1156,1157,1158,
&end
#
# 143 LEU HA 143 LEU HG 4.26 (#SUP 0.64 #QF 0.64)
&rst
ixpk= 0, nxpk= 0, iat=2346,2351, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 140 ILE HA 143 LEU HG 5.28 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat=2298,2351, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 69 SER HA 72 LEU HG 5.26 (#SUP 0.73 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat=1102,1154, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 51 CYS HA 54 ILE QG1 4.15 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= 837, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 897, 898,
&end
#
# 120 LEU H 120 LEU HG 4.03 (#SUP 0.94 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=1988,1995, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 72 LEU H 72 LEU QD1 3.93 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat=1147, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1156,1157,1158,
&end
#
# 16 PHE QE 72 LEU QD1 3.87 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 260, 264,
igr2=1156,1157,1158,
&end
#
# 85 LEU H 85 LEU HG 4.15 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat=1362,1369, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 53 TYR QE 95 LEU HG 4.93 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= -1,1538, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 876, 881,
&end
#
# 103 LEU HA 103 LEU QD1 4.12 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=1677, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1684,1685,1686,
&end
#
# 92 ILE HA 95 LEU QD1 4.42 (#SUP 0.50 #QF 0.50)
&rst
ixpk= 0, nxpk= 0, iat=1489, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1540,1541,1542,
&end
#
# 108 LEU HB2 108 LEU QD1 3.21 (#SUP 0.74 #QF 0.43)
&rst
ixpk= 0, nxpk= 0, iat=1751, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2=1756,1757,1758,
&end
#
# 117 LYS HA 117 LYS HG3 3.83 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat=1927,1933, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 36 LEU HA 36 LEU QD1 3.96 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 580, 581, 582,
&end
#
# 36 LEU HB2 36 LEU QD1 3.46 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 575, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 580, 581, 582,
&end
#
# 36 LEU HB3 36 LEU QD1 3.86 (#SUP 1.00 #QF 0.92)
&rst
ixpk= 1, nxpk= 0, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 580, 581, 582,
&end
#
# 17 TYR QB 20 LEU QD1 5.50 (#SUP 0.96 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 274, 275,
igr2= 329, 330, 331,
&end
#
# 20 LEU QD1 35 GLU HG2 4.95 (#SUP 0.73 #QF 0.28)
&rst
ixpk= 0, nxpk= 0, iat= -1, 563, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 329, 330, 331,
&end
#
# 20 LEU QD1 35 GLU HG3 4.95 (#SUP 0.53 #QF 0.53)
&rst
ixpk= 0, nxpk= 0, iat= -1, 564, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 329, 330, 331,
&end
#
# 20 LEU HB2 20 LEU QD1 3.70 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 324, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 329, 330, 331,
&end
#
# 108 LEU HA 111 LEU QD1 3.97 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat=1749, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1819,1820,1821,
&end
#
# 85 LEU HB2 85 LEU QD1 3.33 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=1366, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1371,1372,1373,
&end
#
# 0 SER QB 1 LEU QD1 5.21 (#SUP 0.42 #QF 0.42)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr1= 15, 16,
igr2= 31, 32, 33,
&end
#
# 49 ARG HD3 95 LEU QD1 4.45 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 803, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1540,1541,1542,
&end
#
# 70 LYS HG3 70 LYS QE 4.06 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1119, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1124,1125,
&end
#
# 70 LYS HG3 71 PRO QD 4.19 (#SUP 0.65 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat=1119, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1134,1135,
&end
#
# 67 GLU HA 70 LYS HG3 4.09 (#SUP 0.95 #QF 0.48)
&rst
ixpk= 0, nxpk= 0, iat=1071,1119, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 70 LYS HG2 70 LYS QE 3.98 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat=1118, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1124,1125,
&end
#
# 82 CYS HA 85 LEU HG 4.36 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat=1317,1369, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 95 LEU HG 96 LYS H 5.26 (#SUP 0.24 #QF 0.24)
&rst
ixpk= 0, nxpk= 0, iat=1538,1550, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 36 LEU H 36 LEU HG 4.67 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 571, 578, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 16 PHE QD 36 LEU HG 5.07 (#SUP 0.44 #QF 0.44)
&rst
ixpk= 0, nxpk= 0, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 258, 266,
&end
#
# 36 LEU HG 37 ILE H 5.42 (#SUP 0.52 #QF 0.52)
&rst
ixpk= 0, nxpk= 0, iat= 578, 590, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 16 PHE HZ 36 LEU QD1 4.81 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 580, 581, 582,
&end
#
# 16 PHE QE 36 LEU QD1 5.04 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 260, 264,
igr2= 580, 581, 582,
&end
#
# 36 LEU QD1 55 GLY H 5.50 (#SUP 0.62 #QF 0.62)
&rst
ixpk= 0, nxpk= 0, iat= -1, 906, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 580, 581, 582,
&end
#
# 36 LEU QD1 37 ILE H 4.83 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat= -1, 590, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 580, 581, 582,
&end
#
# 36 LEU H 36 LEU QD1 4.48 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 580, 581, 582,
&end
#
# 49 ARG H 95 LEU QD1 5.50 (#SUP 0.45 #QF 0.45)
&rst
ixpk= 0, nxpk= 0, iat= 792, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1540,1541,1542,
&end
#
# 53 TYR QE 95 LEU QD1 3.89 (#SUP 0.50 #QF 0.50)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 876, 881,
igr2=1540,1541,1542,
&end
#
# 36 LEU QD1 54 ILE QG1 4.70 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 580, 581, 582,
igr2= 897, 898,
&end
#
# 69 SER HA 70 LYS HG2 5.37 (#SUP 0.49 #QF 0.49)
&rst
ixpk= 0, nxpk= 0, iat=1102,1118, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 16 PHE QD 20 LEU QD1 4.67 (#SUP 0.75 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 258, 266,
igr2= 329, 330, 331,
&end
#
# 16 PHE HZ 20 LEU QD1 4.37 (#SUP 0.92 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 329, 330, 331,
&end
#
# 84 LYS H 85 LEU HG 5.50 (#SUP 0.34 #QF 0.34)
&rst
ixpk= 0, nxpk= 0, iat=1340,1369, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 LEU QD1 36 LEU H 5.40 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat= -1, 571, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 329, 330, 331,
&end
#
# 70 LYS HG3 71 PRO HG3 4.47 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1119,1138, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 117 LYS HG3 117 LYS QE 3.49 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat=1933, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1938,1939,
&end
#
# 114 LYS HA 117 LYS HG3 4.82 (#SUP 0.29 #QF 0.29)
&rst
ixpk= 0, nxpk= 0, iat=1871,1933, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 99 LYS QG 99 LYS QE 3.35 (#SUP 0.87 #QF 0.24)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1=1612,1613,
igr2=1618,1619,
&end
#
# 63 LYS QG 63 LYS QD 2.65 (#SUP 0.73 #QF 0.39)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr1=1002,1003,
igr2=1005,1006,
&end
#
# 99 LYS QG 99 LYS QD 2.91 (#SUP 0.73 #QF 0.39)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr1=1612,1613,
igr2=1615,1616,
&end
#
# 111 LEU HA 111 LEU QD1 3.82 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1812, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1819,1820,1821,
&end
#
# 117 LYS HA 117 LYS HG2 3.87 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat=1927,1932, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 92 ILE HA 95 LEU HG 5.31 (#SUP 0.33 #QF 0.33)
&rst
ixpk= 0, nxpk= 0, iat=1489,1538, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 133 LYS QG 137 ILE QD1 3.55 (#SUP 0.80 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=2172,2173,
igr2=2244,2245,2246,
&end
#
# 85 LEU HA 85 LEU QD1 3.85 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat=1364, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1371,1372,1373,
&end
#
# 46 LYS QG 46 LYS QE 3.79 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 748, 749,
igr2= 754, 755,
&end
#
# 111 LEU H 111 LEU QD1 4.25 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=1810, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1819,1820,1821,
&end
#
# 117 LYS H 117 LYS HG3 4.07 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1925,1933, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 117 LYS H 117 LYS HG2 4.23 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat=1925,1932, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 117 LYS HG3 136 TYR QD 4.61 (#SUP 0.62 #QF 0.62)
&rst
ixpk= 0, nxpk= 0, iat=1933, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2=2218,2227,
&end
#
# 117 LYS HG3 136 TYR QE 4.21 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1933, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=2220,2225,
&end
#
# 117 LYS HG2 136 TYR QE 4.33 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat=1932, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=2220,2225,
&end
#
# 84 LYS H 84 LYS QG 3.95 (#SUP 0.51 #QF 0.51)
&rst
ixpk= 0, nxpk= 0, iat=1340, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=1347,1348,
&end
#
# 49 ARG H 49 ARG QG 4.24 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= 792, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 799, 800,
&end
#
# 109 LYS HB2 109 LYS QG 2.63 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat=1770, -1, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,
igr2=1773,1774,
&end
#
# 118 LYS QG 119 ILE HA 4.29 (#SUP 0.57 #QF 0.57)
&rst
ixpk= 0, nxpk= 0, iat= -1,1971, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1=1954,1955,
&end
#
# 114 LYS HG2 114 LYS QD 2.66 (#SUP 0.35 #QF 0.35)
&rst
ixpk= 0, nxpk= 0, iat=1876, -1, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,
igr2=1879,1880,
&end
#
# 109 LYS QG 137 ILE QD1 3.47 (#SUP 0.61 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=1773,1774,
igr2=2244,2245,2246,
&end
#
# 49 ARG QG 52 TYR QD 4.15 (#SUP 0.42 #QF 0.42)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 799, 800,
igr2= 853, 862,
&end
#
# 49 ARG QB 49 ARG QG 2.67 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 796, 797,
igr2= 799, 800,
&end
#
# 46 LYS QG 49 ARG H 5.30 (#SUP 0.36 #QF 0.36)
&rst
ixpk= 0, nxpk= 0, iat= -1, 792, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 748, 749,
&end
#
# 49 ARG QG 95 LEU QD1 3.39 (#SUP 0.61 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 799, 800,
igr2=1540,1541,1542,
&end
#
# 117 LYS HG3 136 TYR HB3 5.50 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat=1933,2215, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 119 ILE HB 120 LEU QD1 3.22 (#SUP 0.66 #QF 0.26)
&rst
ixpk= 0, nxpk= 0, iat=1973, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=1997,1998,1999,
&end
#
# 81 ILE HA 84 LYS QG 4.66 (#SUP 0.28 #QF 0.28)
&rst
ixpk= 0, nxpk= 0, iat=1298, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2=1347,1348,
&end
#
# 50 LEU HA 50 LEU QD2 4.31 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= 818, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 829, 830, 831,
&end
#
# 49 ARG QG 95 LEU HA 4.81 (#SUP 0.34 #QF 0.34)
&rst
ixpk= 0, nxpk= 0, iat= -1,1533, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 799, 800,
&end
#
# 116 LEU H 116 LEU QD2 4.05 (#SUP 0.84 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat=1906, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1919,1920,1921,
&end
#
# 38 LYS H 38 LYS QG 3.93 (#SUP 0.22 #QF 0.22)
&rst
ixpk= 0, nxpk= 0, iat= 609, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 616, 617,
&end
#
# 80 LYS H 80 LYS HG3 3.84 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat=1274,1282, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 21 LYS H 21 LYS HG3 3.90 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat= 339, 347, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 21 LYS HG2 27 PHE HZ 4.10 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 346, 451, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 21 LYS HG3 27 PHE HZ 4.39 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 347, 451, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 21 LYS HG3 27 PHE QE 5.14 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2= 449, 453,
&end
#
# 50 LEU H 50 LEU QD2 4.34 (#SUP 0.95 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat= 816, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 829, 830, 831,
&end
#
# 49 ARG H 50 LEU QD2 5.02 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat= 792, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 829, 830, 831,
&end
#
# 139 LYS H 139 LYS QG 4.67 (#SUP 0.90 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat=2274, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=2281,2282,
&end
#
# 96 LYS QG 97 TYR H 4.51 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= -1,1572, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1557,1558,
&end
#
# 116 LEU HB2 116 LEU QD2 3.35 (#SUP 0.74 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat=1910, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1919,1920,1921,
&end
#
# 146 LYS HA 146 LYS HG3 4.24 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat=2396,2402, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 146 LYS HG3 146 LYS QE 3.79 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat=2402, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=2407,2408,
&end
#
# 21 LYS HA 21 LYS HG2 4.05 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= 341, 346, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 18 GLN HA 21 LYS HG3 4.62 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 293, 347, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 21 LYS HG3 21 LYS QD 2.73 (#SUP 0.59 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,
igr2= 349, 350,
&end
#
# 12 TYR HB2 50 LEU QD2 4.88 (#SUP 0.67 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 829, 830, 831,
&end
#
# 47 GLU HA 50 LEU QD2 3.91 (#SUP 0.85 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= 765, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 829, 830, 831,
&end
#
# 118 LYS QG 120 LEU QD2 5.19 (#SUP 0.57 #QF 0.57)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1=1954,1955,
igr2=2001,2002,2003,
&end
#
# 118 LYS QG 118 LYS QE 3.76 (#SUP 0.86 #QF 0.48)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=1954,1955,
igr2=1960,1961,
&end
#
# 38 LYS HA 38 LYS QG 3.40 (#SUP 0.44 #QF 0.44)
&rst
ixpk= 0, nxpk= 0, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 616, 617,
&end
#
# 120 LEU QD1 136 TYR QD 3.23 (#SUP 0.48 #QF 0.48)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1=1997,1998,1999,
igr2=2218,2227,
&end
#
# 146 LYS H 146 LYS HG2 4.96 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=2394,2401, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 146 LYS HG2 147 TYR H 5.01 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=2401,2416, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 20 LEU QD2 25 VAL QG1 3.65 (#SUP 0.92 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 333, 334, 335,
igr2= 415, 416, 417,
&end
#
# 20 LEU HB2 20 LEU QD2 3.70 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 324, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 333, 334, 335,
&end
#
# 20 LEU QD2 35 GLU HG3 4.95 (#SUP 0.74 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat= -1, 564, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 333, 334, 335,
&end
#
# 20 LEU QD2 35 GLU HG2 4.95 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= -1, 563, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 333, 334, 335,
&end
#
# 17 TYR QB 20 LEU QD2 5.50 (#SUP 0.65 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 274, 275,
igr2= 333, 334, 335,
&end
#
# 17 TYR HA 20 LEU QD2 4.58 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 333, 334, 335,
&end
#
# 16 PHE QE 20 LEU QD2 4.44 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 260, 264,
igr2= 333, 334, 335,
&end
#
# 16 PHE HZ 20 LEU QD2 4.37 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 333, 334, 335,
&end
#
# 20 LEU QD2 27 PHE QE 4.26 (#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= 333, 334, 335,
igr2= 449, 453,
&end
#
# 16 PHE QD 20 LEU QD2 4.67 (#SUP 0.83 #QF 0.40)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 258, 266,
igr2= 333, 334, 335,
&end
#
# 20 LEU H 20 LEU QD2 3.92 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 333, 334, 335,
&end
#
# 20 LEU QD2 35 GLU H 5.10 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat= -1, 556, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 333, 334, 335,
&end
#
# 20 LEU QD2 36 LEU H 5.40 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= -1, 571, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 333, 334, 335,
&end
#
# 145 PRO HA 146 LYS HG2 5.50 (#SUP 0.94 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat=2390,2401, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 146 LYS HG2 147 TYR HA 5.50 (#SUP 0.94 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat=2401,2418, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 120 LEU HA 120 LEU QD1 3.35 (#SUP 0.52 #QF 0.52)
&rst
ixpk= 0, nxpk= 0, iat=1990, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1997,1998,1999,
&end
#
# 146 LYS HG3 146 LYS HD3 3.00 (#SUP 0.63 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat=2402,2405, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 120 LEU QD1 139 LYS QG 3.69 (#SUP 0.35 #QF 0.35)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1=1997,1998,1999,
igr2=2281,2282,
&end
#
# 92 ILE HA 95 LEU QD2 4.42 (#SUP 0.53 #QF 0.53)
&rst
ixpk= 0, nxpk= 0, iat=1489, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1544,1545,1546,
&end
#
# 49 ARG QG 95 LEU QD2 3.39 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 799, 800,
igr2=1544,1545,1546,
&end
#
# 0 SER QB 1 LEU QD2 5.21 (#SUP 0.53 #QF 0.53)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr1= 15, 16,
igr2= 35, 36, 37,
&end
#
# 1 LEU HB2 1 LEU QD2 3.71 (#SUP 0.90 #QF 0.53)
&rst
ixpk= 0, nxpk= 0, iat= 26, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 35, 36, 37,
&end
#
# 113 VAL HA 113 VAL QG2 3.18 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat=1855, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1863,1864,1865,
&end
#
# 113 VAL QG2 114 LYS H 4.27 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1,1869, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=1863,1864,1865,
&end
#
# 108 LEU HB2 108 LEU QD2 3.21 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat=1751, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2=1760,1761,1762,
&end
#
# 27 PHE HA 31 THR QG2 2.99 (#SUP 0.96 #QF 0.56)
&rst
ixpk= 0, nxpk= 0, iat= 441, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 500, 501, 502,
&end
#
# 28 SER H 31 THR QG2 4.14 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 500, 501, 502,
&end
#
# 14 GLY HA2 78 VAL QG1 3.92 (#SUP 0.63 #QF 0.43)
&rst
ixpk= 0, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1249,1250,1251,
&end
#
# 17 TYR QB 78 VAL QG1 4.12 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 274, 275,
igr2=1249,1250,1251,
&end
#
# 68 VAL HA 68 VAL QG2 3.16 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=1094,1095,1096,
&end
#
# 31 THR QG2 34 ASN HB3 3.90 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 500, 501, 502,
&end
#
# 31 THR QG2 35 GLU HG2 3.56 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1, 563, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 500, 501, 502,
&end
#
# 31 THR QG2 35 GLU HG3 3.56 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat= -1, 564, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 500, 501, 502,
&end
#
# 25 VAL HA 25 VAL QG1 3.20 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 415, 416, 417,
&end
#
# 25 VAL QG2 27 PHE HA 3.58 (#SUP 0.27 #QF 0.27)
&rst
ixpk= 0, nxpk= 0, iat= -1, 441, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 419, 420, 421,
&end
#
# 111 LEU HA 111 LEU QD2 3.82 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat=1812, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1823,1824,1825,
&end
#
# 143 LEU HA 143 LEU QD2 4.09 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat=2346, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=2357,2358,2359,
&end
#
# 131 ALA QB 132 GLU QG 3.50 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2144,2145,2146,
igr2=2157,2158,
&end
#
# 85 LEU HB2 85 LEU QD2 3.33 (#SUP 0.59 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat=1366, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1375,1376,1377,
&end
#
# 143 LEU QD2 147 TYR QE 4.70 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1=2357,2358,2359,
igr2=2426,2431,
&end
#
# 55 GLY H 57 THR QG2 4.36 (#SUP 0.31 #QF 0.31)
&rst
ixpk= 0, nxpk= 0, iat= 906, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 929, 930, 931,
&end
#
# 68 VAL H 68 VAL QG2 3.30 (#SUP 0.53 #QF 0.53)
&rst
ixpk= 0, nxpk= 0, iat=1084, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1094,1095,1096,
&end
#
# 25 VAL QG1 26 THR H 3.86 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 415, 416, 417,
&end
#
# 13 LEU HB3 13 LEU QD1 3.38 (#SUP 0.60 #QF 0.60)
&rst
ixpk= 0, nxpk= 0, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 209, 210, 211,
&end
#
# 13 LEU QD1 16 PHE HB3 3.94 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= -1, 255, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 209, 210, 211,
&end
#
# 13 LEU HA 13 LEU QD1 3.00 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 209, 210, 211,
&end
#
# 12 TYR QE 13 LEU QD1 4.32 (#SUP 0.51 #QF 0.51)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 189, 194,
igr2= 209, 210, 211,
&end
#
# 12 TYR QD 13 LEU QD1 4.24 (#SUP 0.29 #QF 0.29)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 187, 196,
igr2= 209, 210, 211,
&end
#
# 13 LEU QD1 14 GLY H 4.95 (#SUP 0.97 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= -1, 219, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 209, 210, 211,
&end
#
# 131 ALA QB 132 GLU H 3.39 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= -1,2150, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1=2144,2145,2146,
&end
#
# 68 VAL QG1 69 SER H 4.35 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,1100, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1090,1091,1092,
&end
#
# 25 VAL QG1 27 PHE HZ 4.14 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 415, 416, 417,
&end
#
# 25 VAL QG1 27 PHE 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= 415, 416, 417,
igr2= 449, 453,
&end
#
# 16 PHE HZ 68 VAL QG1 4.61 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1090,1091,1092,
&end
#
# 25 VAL QG1 27 PHE HA 4.29 (#SUP 0.52 #QF 0.52)
&rst
ixpk= 0, nxpk= 0, iat= -1, 441, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 415, 416, 417,
&end
#
# 20 LEU QD1 25 VAL QG1 3.65 (#SUP 0.30 #QF 0.30)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 329, 330, 331,
igr2= 415, 416, 417,
&end
#
# 36 LEU HG 68 VAL QG1 3.67 (#SUP 0.45 #QF 0.45)
&rst
ixpk= 0, nxpk= 0, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1090,1091,1092,
&end
#
# 85 LEU HB3 85 LEU QD2 3.33 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1375,1376,1377,
&end
#
# 20 LEU HA 25 VAL QG2 4.27 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 419, 420, 421,
&end
#
# 62 THR HA 62 THR QG2 2.80 (#SUP 0.73 #QF 0.45)
&rst
ixpk= 0, nxpk= 0, iat= 983, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 987, 988, 989,
&end
#
# 25 VAL H 25 VAL QG2 3.84 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 419, 420, 421,
&end
#
# 25 VAL QG2 26 THR H 4.03 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 419, 420, 421,
&end
#
# 106 VAL H 106 VAL QG2 3.91 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat=1719, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1729,1730,1731,
&end
#
# 105 THR H 105 THR QG2 3.88 (#SUP 0.65 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat=1705, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1711,1712,1713,
&end
#
# 62 THR H 62 THR QG2 3.86 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= 981, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 987, 988, 989,
&end
#
# 26 THR H 26 THR QG2 3.52 (#SUP 0.60 #QF 0.60)
&rst
ixpk= 0, nxpk= 0, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 431, 432, 433,
&end
#
# 26 THR QG2 27 PHE H 3.67 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat= -1, 439, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 431, 432, 433,
&end
#
# 26 THR QG2 27 PHE QD 4.79 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 431, 432, 433,
igr2= 447, 455,
&end
#
# 25 VAL QG2 27 PHE QD 4.29 (#SUP 0.42 #QF 0.42)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 419, 420, 421,
igr2= 447, 455,
&end
#
# 78 VAL HA 78 VAL QG2 3.37 (#SUP 0.58 #QF 0.58)
&rst
ixpk= 0, nxpk= 0, iat=1245, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=1253,1254,1255,
&end
#
# 14 GLY HA2 78 VAL QG2 3.29 (#SUP 0.67 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=1253,1254,1255,
&end
#
# 76 ILE HA 78 VAL QG2 3.67 (#SUP 0.45 #QF 0.45)
&rst
ixpk= 0, nxpk= 0, iat=1212, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1253,1254,1255,
&end
#
# 51 CYS HA 56 ALA QB 3.72 (#SUP 0.65 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat= 837, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 917, 918, 919,
&end
#
# 37 ILE HA 56 ALA QB 3.35 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 917, 918, 919,
&end
#
# 40 CYS HB2 56 ALA QB 3.62 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat= 655, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2= 917, 918, 919,
&end
#
# 40 CYS HB3 56 ALA QB 3.62 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2= 917, 918, 919,
&end
#
# 37 ILE HB 56 ALA QB 4.93 (#SUP 0.62 #QF 0.62)
&rst
ixpk= 0, nxpk= 0, iat= 594, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 917, 918, 919,
&end
#
# 37 ILE QD1 56 ALA QB 3.12 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 603, 604, 605,
igr2= 917, 918, 919,
&end
#
# 36 LEU QD1 56 ALA QB 3.55 (#SUP 0.38 #QF 0.38)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 580, 581, 582,
igr2= 917, 918, 919,
&end
#
# 36 LEU HA 36 LEU QD2 3.96 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 584, 585, 586,
&end
#
# 36 LEU HB2 36 LEU QD2 3.46 (#SUP 0.72 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat= 575, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 584, 585, 586,
&end
#
# 36 LEU QD2 54 ILE QG1 4.70 (#SUP 0.64 #QF 0.64)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 584, 585, 586,
igr2= 897, 898,
&end
#
# 8 VAL HA 8 VAL QG1 3.47 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2= 129, 130, 131,
&end
#
# 113 VAL HA 113 VAL QG1 3.18 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1855, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1859,1860,1861,
&end
#
# 8 VAL HA 8 VAL QG2 3.47 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2= 133, 134, 135,
&end
#
# 77 PRO HB2 78 VAL QG2 5.35 (#SUP 0.57 #QF 0.57)
&rst
ixpk= 0, nxpk= 0, iat=1236, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2=1253,1254,1255,
&end
#
# 8 VAL QG1 96 LYS H 4.79 (#SUP 0.42 #QF 0.42)
&rst
ixpk= 0, nxpk= 0, iat= -1,1550, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 129, 130, 131,
&end
#
# 36 LEU H 36 LEU QD2 4.48 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 584, 585, 586,
&end
#
# 16 PHE QE 36 LEU QD2 5.04 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 260, 264,
igr2= 584, 585, 586,
&end
#
# 16 PHE HZ 36 LEU QD2 4.81 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 584, 585, 586,
&end
#
# 113 VAL QG1 136 TYR QD 4.12 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1=1859,1860,1861,
igr2=2218,2227,
&end
#
# 8 VAL QG2 96 LYS H 4.79 (#SUP 0.45 #QF 0.45)
&rst
ixpk= 0, nxpk= 0, iat= -1,1550, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 133, 134, 135,
&end
#
# 78 VAL H 78 VAL QG2 3.03 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat=1243, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2=1253,1254,1255,
&end
#
# 17 TYR QD 78 VAL QG2 4.01 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 278, 287,
igr2=1253,1254,1255,
&end
#
# 56 ALA H 56 ALA QB 3.05 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 913, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2= 917, 918, 919,
&end
#
# 36 LEU QD2 37 ILE H 4.83 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= -1, 590, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 584, 585, 586,
&end
#
# 76 ILE H 78 VAL QG2 4.46 (#SUP 0.42 #QF 0.42)
&rst
ixpk= 0, nxpk= 0, iat=1210, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=1253,1254,1255,
&end
#
# 78 VAL QG2 79 GLU H 3.42 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat= -1,1259, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1=1253,1254,1255,
&end
#
# 37 ILE HG13 56 ALA QB 3.45 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 917, 918, 919,
&end
#
# 36 LEU QD2 56 ALA QB 3.55 (#SUP 0.72 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 584, 585, 586,
igr2= 917, 918, 919,
&end
#
# 36 LEU H 56 ALA QB 5.37 (#SUP 0.29 #QF 0.29)
&rst
ixpk= 0, nxpk= 0, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2= 917, 918, 919,
&end
#
# 36 LEU QD2 55 GLY H 5.50 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat= -1, 906, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 584, 585, 586,
&end
#
# 53 TYR H 60 ALA QB 4.98 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat= 866, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 965, 966, 967,
&end
#
# 56 ALA H 60 ALA QB 4.70 (#SUP 0.58 #QF 0.58)
&rst
ixpk= 0, nxpk= 0, iat= 913, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 965, 966, 967,
&end
#
# 41 ARG H 43 ALA QB 4.11 (#SUP 0.61 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat= 661, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 704, 705, 706,
&end
#
# 55 GLY H 60 ALA QB 3.65 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= 906, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 965, 966, 967,
&end
#
# 52 TYR QD 60 ALA QB 3.53 (#SUP 0.96 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 853, 862,
igr2= 965, 966, 967,
&end
#
# 52 TYR QE 60 ALA QB 4.06 (#SUP 0.96 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 855, 860,
igr2= 965, 966, 967,
&end
#
# 55 GLY HA2 60 ALA QB 3.31 (#SUP 0.89 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= 908, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 965, 966, 967,
&end
#
# 60 ALA HA 61 ALA QB 4.20 (#SUP 0.48 #QF 0.48)
&rst
ixpk= 0, nxpk= 0, iat= 963, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 975, 976, 977,
&end
#
# 55 GLY HA3 60 ALA QB 3.31 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= 909, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 965, 966, 967,
&end
#
# 43 ALA QB 47 GLU HA 4.29 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat= -1, 765, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 704, 705, 706,
&end
#
# 43 ALA QB 47 GLU HG2 4.12 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat= -1, 770, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 704, 705, 706,
&end
#
# 43 ALA QB 47 GLU HG3 4.12 (#SUP 0.53 #QF 0.53)
&rst
ixpk= 0, nxpk= 0, iat= -1, 771, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 704, 705, 706,
&end
#
# 43 ALA QB 44 ARG HB3 3.80 (#SUP 0.35 #QF 0.35)
&rst
ixpk= 0, nxpk= 0, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 704, 705, 706,
&end
#
# 16 PHE HZ 32 ILE QG2 4.18 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 514, 515, 516,
&end
#
# 123 TRP HH2 140 ILE QG2 3.17 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat=2046, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2=2302,2303,2304,
&end
#
# 16 PHE QE 32 ILE QG2 4.77 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 260, 264,
igr2= 514, 515, 516,
&end
#
# 32 ILE QG2 72 LEU H 4.35 (#SUP 0.37 #QF 0.37)
&rst
ixpk= 0, nxpk= 0, iat= -1,1147, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 514, 515, 516,
&end
#
# 32 ILE H 32 ILE QG2 3.99 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 514, 515, 516,
&end
#
# 32 ILE QG2 33 GLU H 4.03 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 514, 515, 516,
&end
#
# 30 ALA QB 31 THR H 3.35 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat= -1, 494, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 488, 489, 490,
&end
#
# 32 ILE QG2 69 SER HB2 3.86 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= -1,1104, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 514, 515, 516,
&end
#
# 32 ILE QG2 69 SER HB3 3.86 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= -1,1105, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 514, 515, 516,
&end
#
# 140 ILE QG2 141 ASN H 3.37 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat= -1,2315, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1=2302,2303,2304,
&end
#
# 123 TRP HZ2 140 ILE QG2 4.48 (#SUP 0.92 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat=2044, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=2302,2303,2304,
&end
#
# 140 ILE QG2 141 ASN HD22 4.98 (#SUP 0.92 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat= -1,2325, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1=2302,2303,2304,
&end
#
# 140 ILE QG2 144 MET H 4.35 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= -1,2363, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=2302,2303,2304,
&end
#
# 140 ILE QG2 141 ASN HA 4.14 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1,2317, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1=2302,2303,2304,
&end
#
# 137 ILE HA 140 ILE QG2 4.31 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat=2233, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=2302,2303,2304,
&end
#
# 140 ILE QG2 140 ILE HG12 3.36 (#SUP 0.78 #QF 0.62)
&rst
ixpk= 0, nxpk= 0, iat= -1,2306, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=2302,2303,2304,
&end
#
# 119 ILE HB 140 ILE QG2 3.68 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat=1973, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=2302,2303,2304,
&end
#
# 32 ILE QG2 33 GLU HG2 4.62 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= -1, 534, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 514, 515, 516,
&end
#
# 32 ILE QG2 32 ILE HG13 3.69 (#SUP 0.61 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat= -1, 519, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 514, 515, 516,
&end
#
# 20 LEU QD1 32 ILE QG2 4.29 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1= 329, 330, 331,
igr2= 514, 515, 516,
&end
#
# 20 LEU QD2 32 ILE QG2 4.29 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1= 333, 334, 335,
igr2= 514, 515, 516,
&end
#
# 32 ILE QG2 36 LEU H 4.68 (#SUP 0.60 #QF 0.60)
&rst
ixpk= 0, nxpk= 0, iat= -1, 571, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 514, 515, 516,
&end
#
# 37 ILE QG2 38 LYS H 3.61 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat= -1, 609, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 596, 597, 598,
&end
#
# 137 ILE QG2 141 ASN HD22 3.53 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat= -1,2325, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2237,2238,2239,
&end
#
# 37 ILE H 37 ILE QG2 3.89 (#SUP 0.51 #QF 0.51)
&rst
ixpk= 0, nxpk= 0, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 596, 597, 598,
&end
#
# 137 ILE H 137 ILE QG2 3.90 (#SUP 0.74 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat=2231, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=2237,2238,2239,
&end
#
# 137 ILE QG2 141 ASN H 3.98 (#SUP 0.26 #QF 0.26)
&rst
ixpk= 0, nxpk= 0, iat= -1,2315, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1=2237,2238,2239,
&end
#
# 81 ILE QG2 85 LEU H 4.72 (#SUP 0.67 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat= -1,1362, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1302,1303,1304,
&end
#
# 65 ILE H 65 ILE QG2 3.12 (#SUP 0.66 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2=1042,1043,1044,
&end
#
# 144 MET H 144 MET QE 5.37 (#SUP 0.67 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat=2363, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2=2374,2375,2376,
&end
#
# 141 ASN H 144 MET QE 4.53 (#SUP 0.72 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat=2315, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=2374,2375,2376,
&end
#
# 65 ILE HA 65 ILE QG2 3.39 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat=1038, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1042,1043,1044,
&end
#
# 92 ILE HA 92 ILE QG2 3.58 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat=1489, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1493,1494,1495,
&end
#
# 108 LEU HB3 137 ILE QG2 3.87 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat=1752, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=2237,2238,2239,
&end
#
# 109 LYS QG 137 ILE QG2 3.72 (#SUP 0.62 #QF 0.50)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=1773,1774,
igr2=2237,2238,2239,
&end
#
# 140 ILE QG2 144 MET QE 3.36 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=2302,2303,2304,
igr2=2374,2375,2376,
&end
#
# 103 LEU HG 144 MET QE 3.78 (#SUP 0.51 #QF 0.51)
&rst
ixpk= 0, nxpk= 0, iat=1682, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2=2374,2375,2376,
&end
#
# 144 MET HB2 144 MET QE 3.82 (#SUP 0.66 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat=2367, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=2374,2375,2376,
&end
#
# 144 MET HG3 144 MET QE 4.00 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat=2371, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=2374,2375,2376,
&end
#
# 141 ASN HA 144 MET QE 3.72 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat=2317, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=2374,2375,2376,
&end
#
# 144 MET HA 144 MET QE 4.95 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat=2365, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=2374,2375,2376,
&end
#
# 37 ILE QG2 56 ALA HA 4.27 (#SUP 0.33 #QF 0.33)
&rst
ixpk= 0, nxpk= 0, iat= -1, 915, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 596, 597, 598,
&end
#
# 65 ILE QG2 66 ASN HA 4.25 (#SUP 0.53 #QF 0.53)
&rst
ixpk= 0, nxpk= 0, iat= -1,1057, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1042,1043,1044,
&end
#
# 109 LYS QE 137 ILE QG2 3.88 (#SUP 0.31 #QF 0.31)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=1779,1780,
igr2=2237,2238,2239,
&end
#
# 33 GLU HG2 65 ILE QG2 5.30 (#SUP 0.32 #QF 0.32)
&rst
ixpk= 0, nxpk= 0, iat= 534, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2=1042,1043,1044,
&end
#
# 76 ILE HA 76 ILE QG2 3.16 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat=1212, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=1216,1217,1218,
&end
#
# 76 ILE QG2 77 PRO HD2 4.20 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= -1,1230, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1216,1217,1218,
&end
#
# 136 TYR QD 140 ILE QD1 3.75 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=2218,2227,
igr2=2309,2310,2311,
&end
#
# 140 ILE H 140 ILE QD1 3.62 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat=2296, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2=2309,2310,2311,
&end
#
# 116 LEU HA 140 ILE QD1 3.48 (#SUP 0.39 #QF 0.39)
&rst
ixpk= 0, nxpk= 0, iat=1908, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=2309,2310,2311,
&end
#
# 119 ILE QG2 140 ILE QD1 3.48 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1=1975,1976,1977,
igr2=2309,2310,2311,
&end
#
# 116 LEU HB3 140 ILE QD1 3.46 (#SUP 0.85 #QF 0.49)
&rst
ixpk= 0, nxpk= 0, iat=1911, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=2309,2310,2311,
&end
#
# 119 ILE HB 140 ILE QD1 3.66 (#SUP 0.85 #QF 0.49)
&rst
ixpk= 0, nxpk= 0, iat=1973, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=2309,2310,2311,
&end
#
# 136 TYR HB3 140 ILE QD1 4.18 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat=2215, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=2309,2310,2311,
&end
#
# 116 LEU H 140 ILE QD1 5.20 (#SUP 0.21 #QF 0.21)
&rst
ixpk= 0, nxpk= 0, iat=1906, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2=2309,2310,2311,
&end
#
# 137 ILE H 140 ILE QD1 4.52 (#SUP 0.45 #QF 0.45)
&rst
ixpk= 0, nxpk= 0, iat=2231, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=2309,2310,2311,
&end
#
# 119 ILE H 119 ILE QG2 4.13 (#SUP 0.79 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat=1969, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=1975,1976,1977,
&end
#
# 119 ILE QG2 123 TRP HE3 4.52 (#SUP 0.79 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat= -1,2050, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1975,1976,1977,
&end
#
# 119 ILE QG2 120 LEU H 4.21 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= -1,1988, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1975,1976,1977,
&end
#
# 119 ILE QG2 140 ILE H 5.50 (#SUP 0.90 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= -1,2296, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1975,1976,1977,
&end
#
# 119 ILE QG2 141 ASN H 5.50 (#SUP 0.90 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= -1,2315, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1975,1976,1977,
&end
#
# 119 ILE QG2 120 LEU HA 4.00 (#SUP 0.54 #QF 0.54)
&rst
ixpk= 0, nxpk= 0, iat= -1,1990, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1975,1976,1977,
&end
#
# 119 ILE QG2 143 LEU HB2 5.50 (#SUP 0.85 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat= -1,2348, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1975,1976,1977,
&end
#
# 119 ILE QG2 144 MET QE 5.50 (#SUP 0.85 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1975,1976,1977,
igr2=2374,2375,2376,
&end
#
# 119 ILE QG2 140 ILE HG12 3.85 (#SUP 0.60 #QF 0.60)
&rst
ixpk= 0, nxpk= 0, iat= -1,2306, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1975,1976,1977,
&end
#
# 119 ILE QG2 140 ILE QG2 3.28 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=1975,1976,1977,
igr2=2302,2303,2304,
&end
#
# 119 ILE QG2 120 LEU QD1 3.46 (#SUP 0.69 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=1975,1976,1977,
igr2=1997,1998,1999,
&end
#
# 91 GLN HG2 92 ILE QD1 4.09 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat=1477, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1500,1501,1502,
&end
#
# 53 TYR HB3 92 ILE QD1 3.95 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 871, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1500,1501,1502,
&end
#
# 53 TYR HB2 92 ILE QD1 3.95 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 870, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1500,1501,1502,
&end
#
# 78 VAL HA 81 ILE QD1 3.10 (#SUP 0.65 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat=1245, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2=1309,1310,1311,
&end
#
# 13 LEU HG 81 ILE QD1 3.09 (#SUP 0.43 #QF 0.43)
&rst
ixpk= 0, nxpk= 0, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr2=1309,1310,1311,
&end
#
# 81 ILE HB 81 ILE QD1 2.77 (#SUP 0.54 #QF 0.54)
&rst
ixpk= 0, nxpk= 0, iat=1300, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr2=1309,1310,1311,
&end
#
# 91 GLN HA 92 ILE QD1 4.17 (#SUP 0.62 #QF 0.62)
&rst
ixpk= 0, nxpk= 0, iat=1472, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1500,1501,1502,
&end
#
# 92 ILE H 92 ILE QD1 3.92 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1487, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1500,1501,1502,
&end
#
# 89 ASP H 92 ILE QD1 4.45 (#SUP 0.44 #QF 0.44)
&rst
ixpk= 0, nxpk= 0, iat=1447, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1500,1501,1502,
&end
#
# 81 ILE H 81 ILE QD1 3.96 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat=1296, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1309,1310,1311,
&end
#
# 17 TYR QD 81 ILE QD1 5.27 (#SUP 0.69 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1= 278, 287,
igr2=1309,1310,1311,
&end
#
# 80 LYS H 81 ILE QD1 5.50 (#SUP 0.69 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat=1274, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1309,1310,1311,
&end
#
# 53 TYR H 92 ILE QD1 4.87 (#SUP 0.48 #QF 0.48)
&rst
ixpk= 0, nxpk= 0, iat= 866, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1500,1501,1502,
&end
#
# 81 ILE QD1 82 CYS H 5.14 (#SUP 0.66 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat= -1,1315, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1309,1310,1311,
&end
#
# 37 ILE H 65 ILE QD1 4.44 (#SUP 0.38 #QF 0.38)
&rst
ixpk= 0, nxpk= 0, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=1049,1050,1051,
&end
#
# 34 ASN H 65 ILE QD1 4.94 (#SUP 0.91 #QF 0.58)
&rst
ixpk= 0, nxpk= 0, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1049,1050,1051,
&end
#
# 64 ILE QD1 65 ILE H 5.42 (#SUP 0.91 #QF 0.58)
&rst
ixpk= 0, nxpk= 0, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=1030,1031,1032,
&end
#
# 65 ILE H 65 ILE QD1 5.50 (#SUP 0.91 #QF 0.58)
&rst
ixpk= 0, nxpk= 0, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1049,1050,1051,
&end
#
# 36 LEU HB3 65 ILE QD1 3.39 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1049,1050,1051,
&end
#
# 65 ILE HA 65 ILE QD1 3.68 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat=1038, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1049,1050,1051,
&end
#
# 54 ILE HA 64 ILE QD1 3.39 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1030,1031,1032,
&end
#
# 33 GLU HG2 65 ILE QD1 3.83 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 534, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1049,1050,1051,
&end
#
# 54 ILE HB 54 ILE QD1 3.25 (#SUP 0.67 #QF 0.26)
&rst
ixpk= 0, nxpk= 0, iat= 891, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2= 900, 901, 902,
&end
#
# 64 ILE HB 64 ILE QD1 3.43 (#SUP 0.67 #QF 0.26)
&rst
ixpk= 0, nxpk= 0, iat=1021, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1030,1031,1032,
&end
#
# 65 ILE HB 65 ILE QD1 3.24 (#SUP 0.72 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat=1040, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=1049,1050,1051,
&end
#
# 10 ILE QD1 79 GLU HG3 3.92 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= -1,1267, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 162, 163, 164,
&end
#
# 10 ILE QD1 79 GLU HB2 3.86 (#SUP 0.95 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat= -1,1263, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 162, 163, 164,
&end
#
# 10 ILE HB 10 ILE QD1 3.29 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= 153, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 162, 163, 164,
&end
#
# 119 ILE HA 119 ILE QD1 3.98 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1971, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1982,1983,1984,
&end
#
# 116 LEU HA 119 ILE QD1 3.22 (#SUP 0.52 #QF 0.52)
&rst
ixpk= 0, nxpk= 0, iat=1908, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=1982,1983,1984,
&end
#
# 119 ILE QG2 119 ILE QD1 2.89 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1=1975,1976,1977,
igr2=1982,1983,1984,
&end
#
# 51 CYS HA 54 ILE QD1 3.51 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat= 837, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 900, 901, 902,
&end
#
# 64 ILE HA 64 ILE QD1 4.40 (#SUP 0.57 #QF 0.57)
&rst
ixpk= 0, nxpk= 0, iat=1019, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1030,1031,1032,
&end
#
# 51 CYS H 54 ILE QD1 4.76 (#SUP 0.75 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat= 835, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 900, 901, 902,
&end
#
# 54 ILE QD1 55 GLY H 5.08 (#SUP 0.75 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat= -1, 906, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 900, 901, 902,
&end
#
# 10 ILE QD1 79 GLU H 4.67 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= -1,1259, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 162, 163, 164,
&end
#
# 117 LYS H 119 ILE QD1 5.50 (#SUP 0.51 #QF 0.51)
&rst
ixpk= 0, nxpk= 0, iat=1925, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1982,1983,1984,
&end
#
# 116 LEU H 119 ILE QD1 5.14 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat=1906, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1982,1983,1984,
&end
#
# 109 LYS H 137 ILE QD1 4.30 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat=1766, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=2244,2245,2246,
&end
#
# 137 ILE QD1 141 ASN HD22 5.19 (#SUP 0.24 #QF 0.24)
&rst
ixpk= 0, nxpk= 0, iat= -1,2325, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1=2244,2245,2246,
&end
#
# 34 ASN HB2 37 ILE QD1 4.92 (#SUP 0.72 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2= 603, 604, 605,
&end
#
# 76 ILE QD1 78 VAL H 4.55 (#SUP 0.54 #QF 0.54)
&rst
ixpk= 0, nxpk= 0, iat= -1,1243, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=1223,1224,1225,
&end
#
# 66 ASN HA 70 LYS HG3 4.98 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=1057,1119, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 66 ASN HA 69 SER HA 5.06 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1057,1102, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 32 ILE HA 35 GLU HB3 4.85 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 510, 561, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 21 LYS QD 75 HIS HE1 4.36 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 349, 350,
&end
#
# 17 TYR QB 75 HIS HE1 4.67 (#SUP 0.23 #QF 0.23)
&rst
ixpk= 0, nxpk= 0, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 274, 275,
&end
#
# 21 LYS HG3 75 HIS HE1 4.36 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat= 347,1203, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 75 HIS HA 75 HIS HE1 5.50 (#SUP 0.46 #QF 0.46)
&rst
ixpk= 0, nxpk= 0, iat=1195,1203, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 HIS HB3 74 HIS HE1 5.04 (#SUP 0.37 #QF 0.37)
&rst
ixpk= 0, nxpk= 0, iat=1181,1186, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 49 ARG HD3 52 TYR QD 2.89 (#SUP 0.60 #QF 0.60)
&rst
ixpk= 0, nxpk= 0, iat= 803, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2= 853, 862,
&end
#
# 49 ARG HA 52 TYR QD 4.19 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 794, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 853, 862,
&end
#
# 52 TYR QD 60 ALA HA 4.13 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 853, 862,
&end
#
# 52 TYR HA 52 TYR QD 3.38 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 847, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 853, 862,
&end
#
# 49 ARG QB 52 TYR QD 5.29 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1= 796, 797,
igr2= 853, 862,
&end
#
# 52 TYR QD 57 THR QG2 3.96 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 853, 862,
igr2= 929, 930, 931,
&end
#
# 52 TYR H 52 TYR QD 4.14 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 853, 862,
&end
#
# 147 TYR HA 147 TYR QD 3.30 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat=2418, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=2424,2433,
&end
#
# 143 LEU HB2 147 TYR QD 3.55 (#SUP 0.85 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat=2348, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=2424,2433,
&end
#
# 143 LEU HB3 147 TYR QD 3.37 (#SUP 0.64 #QF 0.64)
&rst
ixpk= 0, nxpk= 0, iat=2349, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=2424,2433,
&end
#
# 146 LYS HG3 147 TYR QD 3.47 (#SUP 0.87 #QF 0.22)
&rst
ixpk= 0, nxpk= 0, iat=2402, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=2424,2433,
&end
#
# 39 PHE H 39 PHE QD 3.83 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 639, 647,
&end
#
# 16 PHE QE 39 PHE QD 3.56 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 260, 264,
igr2= 639, 647,
&end
#
# 17 TYR HA 17 TYR QD 3.59 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 278, 287,
&end
#
# 133 LYS HA 136 TYR QD 3.15 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat=2167, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2=2218,2227,
&end
#
# 39 PHE HA 39 PHE QD 3.08 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= 633, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2= 639, 647,
&end
#
# 113 VAL QG2 136 TYR QD 4.12 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1=1863,1864,1865,
igr2=2218,2227,
&end
#
# 117 LYS HG2 136 TYR QD 4.75 (#SUP 0.99 #QF 0.30)
&rst
ixpk= 0, nxpk= 0, iat=1932, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=2218,2227,
&end
#
# 133 LYS QG 136 TYR QD 4.97 (#SUP 0.99 #QF 0.30)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1=2172,2173,
igr2=2218,2227,
&end
#
# 116 LEU HB2 136 TYR QD 3.77 (#SUP 0.63 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat=1910, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=2218,2227,
&end
#
# 120 LEU HG 136 TYR QD 3.74 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat=1995, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2218,2227,
&end
#
# 133 LYS QB 136 TYR QD 4.28 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=2169,2170,
igr2=2218,2227,
&end
#
# 117 LYS HA 136 TYR QD 3.63 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1927, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=2218,2227,
&end
#
# 136 TYR HA 136 TYR QD 3.38 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat=2212, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=2218,2227,
&end
#
# 53 TYR HA 53 TYR QD 3.13 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 868, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2= 874, 883,
&end
#
# 17 TYR QD 78 VAL QG1 3.86 (#SUP 0.53 #QF 0.53)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 278, 287,
igr2=1249,1250,1251,
&end
#
# 17 TYR QD 20 LEU HB2 4.37 (#SUP 0.40 #QF 0.40)
&rst
ixpk= 0, nxpk= 0, iat= -1, 324, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 278, 287,
&end
#
# 17 TYR QD 72 LEU HG 4.65 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 278, 287,
&end
#
# 17 TYR QD 78 VAL HB 4.19 (#SUP 0.63 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat= -1,1247, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 278, 287,
&end
#
# 14 GLY HA2 17 TYR QD 4.05 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 278, 287,
&end
#
# 17 TYR H 17 TYR QD 4.11 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= 270, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 278, 287,
&end
#
# 12 TYR HA 12 TYR QD 3.46 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= 181, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 187, 196,
&end
#
# 53 TYR QD 92 ILE QD1 3.11 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 874, 883,
igr2=1500,1501,1502,
&end
#
# 146 LYS HB3 147 TYR QD 4.39 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=2399, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2=2424,2433,
&end
#
# 143 LEU HG 147 TYR QD 5.08 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat=2351, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=2424,2433,
&end
#
# 146 LYS QE 147 TYR QD 5.25 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2407,2408,
igr2=2424,2433,
&end
#
# 50 LEU HB3 53 TYR QD 4.61 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2= 874, 883,
&end
#
# 53 TYR QD 92 ILE HA 3.75 (#SUP 0.56 #QF 0.56)
&rst
ixpk= 0, nxpk= 0, iat= -1,1489, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 874, 883,
&end
#
# 50 LEU HA 53 TYR QD 3.66 (#SUP 0.50 #QF 0.50)
&rst
ixpk= 0, nxpk= 0, iat= 818, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 874, 883,
&end
#
# 12 TYR QD 13 LEU QD2 3.57 (#SUP 0.83 #QF 0.58)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr1= 187, 196,
igr2= 213, 214, 215,
&end
#
# 12 TYR QD 47 GLU HB2 4.66 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 187, 196,
&end
#
# 12 TYR QD 47 GLU HB3 3.89 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 187, 196,
&end
#
# 13 LEU QD1 16 PHE QE 3.56 (#SUP 0.86 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 209, 210, 211,
igr2= 260, 264,
&end
#
# 16 PHE QE 72 LEU QD2 3.87 (#SUP 0.86 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 260, 264,
igr2=1160,1161,1162,
&end
#
# 16 PHE QE 20 LEU QD1 4.44 (#SUP 0.28 #QF 0.28)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 260, 264,
igr2= 329, 330, 331,
&end
#
# 27 PHE QD 31 THR QG2 3.88 (#SUP 0.49 #QF 0.49)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 447, 455,
igr2= 500, 501, 502,
&end
#
# 25 VAL QG1 27 PHE QD 4.59 (#SUP 0.98 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1= 415, 416, 417,
igr2= 447, 455,
&end
#
# 27 PHE QD 32 ILE HB 5.50 (#SUP 0.84 #QF 0.52)
&rst
ixpk= 0, nxpk= 0, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 447, 455,
&end
#
# 27 PHE QD 72 LEU HG 5.50 (#SUP 0.84 #QF 0.52)
&rst
ixpk= 0, nxpk= 0, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 447, 455,
&end
#
# 20 LEU QD1 27 PHE QE 4.26 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 329, 330, 331,
igr2= 449, 453,
&end
#
# 16 PHE QE 36 LEU HG 4.72 (#SUP 0.97 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 260, 264,
&end
#
# 16 PHE QE 68 VAL HB 4.62 (#SUP 0.66 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat= -1,1088, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 260, 264,
&end
#
# 16 PHE QE 17 TYR QB 4.25 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 260, 264,
igr2= 274, 275,
&end
#
# 16 PHE QE 39 PHE HB2 4.42 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 260, 264,
&end
#
# 16 PHE QE 17 TYR H 4.45 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1, 270, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 260, 264,
&end
#
# 16 PHE HA 39 PHE QE 3.69 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 641, 645,
&end
#
# 16 PHE HB3 39 PHE QE 4.35 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat= 255, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 641, 645,
&end
#
# 16 PHE HB2 39 PHE QE 3.65 (#SUP 0.95 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 641, 645,
&end
#
# 20 LEU HB3 27 PHE QE 3.90 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 449, 453,
&end
#
# 21 LYS HG2 27 PHE QE 4.50 (#SUP 0.84 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 449, 453,
&end
#
# 27 PHE QE 73 ALA QB 4.88 (#SUP 0.84 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 449, 453,
igr2=1170,1171,1172,
&end
#
# 20 LEU HB2 27 PHE QE 4.36 (#SUP 0.97 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat= 324, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 449, 453,
&end
#
# 21 LYS QB 27 PHE QE 4.68 (#SUP 0.97 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 343, 344,
igr2= 449, 453,
&end
#
# 27 PHE QE 72 LEU HB2 4.75 (#SUP 0.30 #QF 0.30)
&rst
ixpk= 0, nxpk= 0, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 449, 453,
&end
#
# 16 PHE QE 39 PHE QE 3.70 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 260, 264,
igr2= 641, 645,
&end
#
# 39 PHE HA 39 PHE QE 4.45 (#SUP 0.60 #QF 0.60)
&rst
ixpk= 0, nxpk= 0, iat= 633, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 641, 645,
&end
#
# 16 PHE HZ 32 ILE HA 5.47 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 262, 510, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 16 PHE HZ 39 PHE HB3 5.50 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= 262, 636, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 PHE HZ 68 VAL HB 5.50 (#SUP 0.61 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat= 262,1088, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 PHE HZ 36 LEU HG 4.68 (#SUP 0.99 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 262, 578, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 16 PHE QD 16 PHE HZ 4.00 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 258, 266,
&end
#
# 20 LEU HB2 27 PHE HZ 4.05 (#SUP 0.97 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= 324, 451, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 21 LYS QB 27 PHE HZ 4.21 (#SUP 0.97 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 343, 344,
&end
#
# 16 PHE HA 39 PHE HZ 3.71 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 252, 643, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 16 PHE QE 39 PHE HZ 4.97 (#SUP 0.48 #QF 0.48)
&rst
ixpk= 0, nxpk= 0, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 260, 264,
&end
#
# 17 TYR HA 27 PHE HZ 5.50 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= 272, 451, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 LEU HA 27 PHE HZ 5.50 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 322, 451, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 LEU HB3 27 PHE HZ 3.85 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 325, 451, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 20 LEU QD2 27 PHE HZ 5.06 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 333, 334, 335,
&end
#
# 20 LEU QD1 27 PHE HZ 5.06 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 329, 330, 331,
&end
#
# 27 PHE QD 27 PHE HZ 4.22 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 447, 455,
&end
#
# 123 TRP HH2 140 ILE HA 4.41 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat=2046,2298, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 123 TRP HH2 143 LEU HB2 4.00 (#SUP 0.27 #QF 0.27)
&rst
ixpk= 0, nxpk= 0, iat=2046,2348, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 123 TRP HH2 143 LEU HB3 5.50 (#SUP 0.29 #QF 0.29)
&rst
ixpk= 0, nxpk= 0, iat=2046,2349, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 119 ILE QG2 123 TRP HH2 4.44 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1,2046, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=1975,1976,1977,
&end
#
# 123 TRP HH2 147 TYR QD 5.47 (#SUP 0.41 #QF 0.41)
&rst
ixpk= 0, nxpk= 0, iat=2046, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2=2424,2433,
&end
#
# 123 TRP HH2 144 MET H 5.19 (#SUP 0.37 #QF 0.37)
&rst
ixpk= 0, nxpk= 0, iat=2046,2363, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 123 TRP HA 123 TRP HD1 2.97 (#SUP 0.62 #QF 0.62)
&rst
ixpk= 0, nxpk= 0, iat=2033,2039, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 122 ASP HB2 123 TRP HD1 5.50 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat=2023,2039, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 123 TRP HD1 147 TYR HB3 4.34 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat=2039,2421, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 123 TRP HD1 147 TYR HB2 4.92 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=2039,2420, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 119 ILE QG2 123 TRP HD1 5.46 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= -1,2039, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1=1975,1976,1977,
&end
#
# 123 TRP HZ2 144 MET HA 4.32 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat=2044,2365, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 123 TRP HZ2 144 MET HG2 5.50 (#SUP 0.80 #QF 0.26)
&rst
ixpk= 0, nxpk= 0, iat=2044,2370, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 119 ILE QG2 123 TRP HZ2 4.21 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= -1,2044, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1975,1976,1977,
&end
#
# 123 TRP HZ2 147 TYR HB2 3.54 (#SUP 0.72 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat=2044,2420, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 123 TRP HZ2 150 LYS QB 5.41 (#SUP 0.46 #QF 0.46)
&rst
ixpk= 0, nxpk= 0, iat=2044, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2465,2466,
&end
#
# 123 TRP HZ2 147 TYR HB3 4.24 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat=2044,2421, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 53 TYR QE 95 LEU QD2 3.89 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 876, 881,
igr2=1544,1545,1546,
&end
#
# 8 VAL QG1 97 TYR QE 4.86 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 129, 130, 131,
igr2=1582,1587,
&end
#
# 8 VAL QG2 97 TYR QE 4.86 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 133, 134, 135,
igr2=1582,1587,
&end
#
# 17 TYR QE 21 LYS QD 3.61 (#SUP 0.57 #QF 0.57)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 280, 285,
igr2= 349, 350,
&end
#
# 113 VAL QG1 136 TYR QE 3.35 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1=1859,1860,1861,
igr2=2220,2225,
&end
#
# 113 VAL QG2 136 TYR QE 3.35 (#SUP 0.69 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1=1863,1864,1865,
igr2=2220,2225,
&end
#
# 12 TYR QE 43 ALA QB 3.23 (#SUP 0.27 #QF 0.27)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1= 189, 194,
igr2= 704, 705, 706,
&end
#
# 120 LEU HG 136 TYR QE 4.44 (#SUP 0.92 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat=1995, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=2220,2225,
&end
#
# 132 GLU QG 136 TYR QE 5.03 (#SUP 0.61 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1=2157,2158,
igr2=2220,2225,
&end
#
# 12 TYR QE 47 GLU HB3 3.85 (#SUP 0.57 #QF 0.57)
&rst
ixpk= 0, nxpk= 0, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 189, 194,
&end
#
# 133 LYS HA 136 TYR QE 3.93 (#SUP 0.65 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat=2167, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=2220,2225,
&end
#
# 136 TYR HA 136 TYR QE 4.82 (#SUP 0.56 #QF 0.56)
&rst
ixpk= 0, nxpk= 0, iat=2212, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2=2220,2225,
&end
#
# 17 TYR QE 75 HIS HE1 4.46 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 280, 285,
&end
#
# 8 VAL HA 97 TYR QE 4.30 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1582,1587,
&end
#
# 17 TYR QE 21 LYS QB 4.99 (#SUP 0.53 #QF 0.53)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 280, 285,
igr2= 343, 344,
&end
#
# 12 TYR QE 16 PHE HB3 4.22 (#SUP 0.28 #QF 0.28)
&rst
ixpk= 0, nxpk= 0, iat= -1, 255, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 189, 194,
&end
#
# 143 LEU HA 147 TYR QE 4.64 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=2346, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=2426,2431,
&end
#
# 147 TYR HA 147 TYR QE 4.68 (#SUP 0.44 #QF 0.44)
&rst
ixpk= 0, nxpk= 0, iat=2418, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=2426,2431,
&end
#
# 146 LYS QE 147 TYR QE 4.48 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=2407,2408,
igr2=2426,2431,
&end
#
# 143 LEU HB2 147 TYR QE 3.96 (#SUP 0.55 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat=2348, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=2426,2431,
&end
#
# 143 LEU HB3 147 TYR QE 3.28 (#SUP 0.63 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat=2349, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2=2426,2431,
&end
#
# 146 LYS HG2 147 TYR QE 4.26 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat=2401, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=2426,2431,
&end
#
# 53 TYR QE 91 GLN HB2 3.70 (#SUP 0.22 #QF 0.22)
&rst
ixpk= 0, nxpk= 0, iat= -1,1474, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 876, 881,
&end
#
# 49 ARG QG 53 TYR QE 4.23 (#SUP 0.92 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 799, 800,
igr2= 876, 881,
&end
#
# 50 LEU HA 53 TYR QE 3.72 (#SUP 0.67 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat= 818, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 876, 881,
&end
#
# 52 TYR QE 60 ALA HA 3.56 (#SUP 0.72 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 855, 860,
&end
#
# 52 TYR HA 52 TYR QE 4.93 (#SUP 0.74 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat= 847, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2= 855, 860,
&end
#
# 70 LYS HA 74 HIS HD2 5.06 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat=1113,1189, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 73 ALA QB 74 HIS HD2 4.03 (#SUP 0.39 #QF 0.39)
&rst
ixpk= 0, nxpk= 0, iat= -1,1189, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1170,1171,1172,
&end
#
# 74 HIS HD2 76 ILE QD1 4.75 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=1189, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1223,1224,1225,
&end
#
# 71 PRO HB3 74 HIS HD2 4.88 (#SUP 0.94 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat=1141,1189, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 74 HIS HD2 76 ILE HG13 5.37 (#SUP 0.94 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat=1189,1221, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 70 LYS HB2 74 HIS HD2 5.16 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat=1115,1189, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 122 ASP HA 123 TRP HD1 5.34 (#SUP 0.66 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat=2021,2039, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 14 GLY HA3 17 TYR QD 4.34 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 278, 287,
&end
#
# 146 LYS HG2 147 TYR QD 4.52 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat=2401, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=2424,2433,
&end
#
# 16 PHE QD 17 TYR QB 3.92 (#SUP 0.30 #QF 0.30)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 258, 266,
igr2= 274, 275,
&end
#
# 123 TRP HE3 143 LEU HB3 4.55 (#SUP 0.59 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat=2050,2349, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 0 SER QB 1 LEU QB 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 15, 16,
igr2= 26, 27,
&end
#
# 0 SER QB 1 LEU QQD 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 15, 16,
igr2= 31, 32, 33, 35, 36, 37,
&end
#
# 1 LEU HA 1 LEU QQD 3.67
&rst
ixpk= 0, nxpk= 0, iat= 24, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 31, 32, 33, 35, 36, 37,
&end
#
# 1 LEU QB 1 LEU QQD 2.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 26, 27,
igr2= 31, 32, 33, 35, 36, 37,
&end
#
# 1 LEU QB 2 ARG H 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 41, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 26, 27,
&end
#
# 1 LEU QQD 2 ARG H 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 41, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 31, 32, 33, 35, 36, 37,
&end
#
# 2 ARG HA 3 PRO QD 2.93
&rst
ixpk= 0, nxpk= 0, iat= 43, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2= 66, 67,
&end
#
# 3 PRO HB3 4 GLY QA 5.34
&rst
ixpk= 0, nxpk= 0, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 81, 82,
&end
#
# 5 ASP H 5 ASP QB 3.06
&rst
ixpk= 0, nxpk= 0, iat= 86, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2= 90, 91,
&end
#
# 8 VAL HA 47 GLU QG 5.34
&rst
ixpk= 0, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 770, 771,
&end
#
# 8 VAL HA 50 LEU QQD 4.48
&rst
ixpk= 0, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 825, 826, 827, 829, 830, 831,
&end
#
# 8 VAL QQG 12 TYR HB2 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 183, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 129, 130, 131, 133, 134, 135,
&end
#
# 8 VAL QQG 12 TYR HB3 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 184, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 129, 130, 131, 133, 134, 135,
&end
#
# 8 VAL QQG 46 LYS QB 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 129, 130, 131, 133, 134, 135,
igr2= 745, 746,
&end
#
# 8 VAL QQG 46 LYS QG 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr1= 129, 130, 131, 133, 134, 135,
igr2= 748, 749,
&end
#
# 8 VAL QQG 46 LYS QD 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 129, 130, 131, 133, 134, 135,
igr2= 751, 752,
&end
#
# 8 VAL QQG 46 LYS QE 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41,
igr1= 129, 130, 131, 133, 134, 135,
igr2= 754, 755,
&end
#
# 8 VAL QQG 47 GLU H 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 763, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 129, 130, 131, 133, 134, 135,
&end
#
# 8 VAL QQG 47 GLU HA 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 765, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 129, 130, 131, 133, 134, 135,
&end
#
# 8 VAL QQG 47 GLU HB3 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr1= 129, 130, 131, 133, 134, 135,
&end
#
# 8 VAL QQG 47 GLU QG 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 129, 130, 131, 133, 134, 135,
igr2= 770, 771,
&end
#
# 8 VAL QQG 50 LEU H 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 816, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 129, 130, 131, 133, 134, 135,
&end
#
# 8 VAL QQG 50 LEU HB2 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 129, 130, 131, 133, 134, 135,
&end
#
# 8 VAL QQG 50 LEU HB3 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 129, 130, 131, 133, 134, 135,
&end
#
# 8 VAL QQG 50 LEU HG 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 823, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 129, 130, 131, 133, 134, 135,
&end
#
# 8 VAL QQG 50 LEU QQD 2.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 129, 130, 131, 133, 134, 135,
igr2= 825, 826, 827, 829, 830, 831,
&end
#
# 8 VAL QQG 95 LEU HA 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1533, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 129, 130, 131, 133, 134, 135,
&end
#
# 8 VAL QQG 95 LEU QB 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 129, 130, 131, 133, 134, 135,
igr2=1535,1536,
&end
#
# 8 VAL QQG 95 LEU QQD 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.45, r4= 9.95,
igr1= 129, 130, 131, 133, 134, 135,
igr2=1540,1541,1542,1544,1545,1546,
&end
#
# 8 VAL QQG 96 LYS H 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1,1550, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 129, 130, 131, 133, 134, 135,
&end
#
# 8 VAL QQG 96 LYS QB 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1= 129, 130, 131, 133, 134, 135,
igr2=1554,1555,
&end
#
# 8 VAL QQG 97 TYR H 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1572, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 129, 130, 131, 133, 134, 135,
&end
#
# 8 VAL QQG 97 TYR HA 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1574, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 129, 130, 131, 133, 134, 135,
&end
#
# 8 VAL QQG 97 TYR QB 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.26, r4= 7.76,
igr1= 129, 130, 131, 133, 134, 135,
igr2=1576,1577,
&end
#
# 8 VAL QQG 97 TYR QE 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 129, 130, 131, 133, 134, 135,
igr2=1582,1587,
&end
#
# 10 ILE HA 79 GLU QG 5.34
&rst
ixpk= 0, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1266,1267,
&end
#
# 10 ILE HB 79 GLU QG 4.35
&rst
ixpk= 0, nxpk= 0, iat= 153, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1266,1267,
&end
#
# 10 ILE QD1 79 GLU QB 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 162, 163, 164,
igr2=1263,1264,
&end
#
# 10 ILE QD1 79 GLU QG 3.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 162, 163, 164,
igr2=1266,1267,
&end
#
# 12 TYR HB2 47 GLU QG 4.38
&rst
ixpk= 0, nxpk= 0, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 770, 771,
&end
#
# 12 TYR HB2 50 LEU QQD 3.60
&rst
ixpk= 0, nxpk= 0, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 825, 826, 827, 829, 830, 831,
&end
#
# 12 TYR HB3 47 GLU QG 4.86
&rst
ixpk= 0, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 770, 771,
&end
#
# 12 TYR HB3 50 LEU QQD 3.82
&rst
ixpk= 0, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 825, 826, 827, 829, 830, 831,
&end
#
# 12 TYR QD 15 ARG QD 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 187, 196,
igr2= 236, 237,
&end
#
# 12 TYR QD 36 LEU QQD 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 187, 196,
igr2= 580, 581, 582, 584, 585, 586,
&end
#
# 12 TYR QD 47 GLU QG 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 187, 196,
igr2= 770, 771,
&end
#
# 12 TYR QD 50 LEU QQD 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 187, 196,
igr2= 825, 826, 827, 829, 830, 831,
&end
#
# 12 TYR QE 36 LEU QQD 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 189, 194,
igr2= 580, 581, 582, 584, 585, 586,
&end
#
# 12 TYR QE 47 GLU QG 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 189, 194,
igr2= 770, 771,
&end
#
# 13 LEU HA 36 LEU QQD 5.09
&rst
ixpk= 0, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr2= 580, 581, 582, 584, 585, 586,
&end
#
# 13 LEU HG 81 ILE QG1 4.96
&rst
ixpk= 0, nxpk= 0, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1306,1307,
&end
#
# 13 LEU QD1 36 LEU QQD 2.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 209, 210, 211,
igr2= 580, 581, 582, 584, 585, 586,
&end
#
# 13 LEU QD2 36 LEU QQD 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 213, 214, 215,
igr2= 580, 581, 582, 584, 585, 586,
&end
#
# 15 ARG H 15 ARG QB 3.08
&rst
ixpk= 0, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2= 230, 231,
&end
#
# 15 ARG H 15 ARG QG 4.18
&rst
ixpk= 0, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2= 233, 234,
&end
#
# 15 ARG H 15 ARG QD 4.23
&rst
ixpk= 0, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2= 236, 237,
&end
#
# 15 ARG HA 15 ARG QD 5.24
&rst
ixpk= 0, nxpk= 0, iat= 228, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 236, 237,
&end
#
# 15 ARG HA 18 GLN QB 3.03
&rst
ixpk= 0, nxpk= 0, iat= 228, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr2= 295, 296,
&end
#
# 15 ARG QB 15 ARG QD 3.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr1= 230, 231,
igr2= 236, 237,
&end
#
# 15 ARG QB 16 PHE H 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 250, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1= 230, 231,
&end
#
# 15 ARG QG 16 PHE H 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 250, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 233, 234,
&end
#
# 15 ARG QG 17 TYR H 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 270, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 233, 234,
&end
#
# 15 ARG QG 39 PHE QE 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 233, 234,
igr2= 641, 645,
&end
#
# 16 PHE HA 18 GLN QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 295, 296,
&end
#
# 16 PHE HA 20 LEU QQD 5.44
&rst
ixpk= 0, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2= 329, 330, 331, 333, 334, 335,
&end
#
# 16 PHE QD 20 LEU QQD 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 258, 266,
igr2= 329, 330, 331, 333, 334, 335,
&end
#
# 16 PHE QD 36 LEU QQD 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 258, 266,
igr2= 580, 581, 582, 584, 585, 586,
&end
#
# 16 PHE QD 72 LEU QQD 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
igr1= 258, 266,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 16 PHE QE 20 LEU QQD 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 260, 264,
igr2= 329, 330, 331, 333, 334, 335,
&end
#
# 16 PHE QE 36 LEU QQD 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 260, 264,
igr2= 580, 581, 582, 584, 585, 586,
&end
#
# 16 PHE HZ 20 LEU QQD 3.64
&rst
ixpk= 0, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 329, 330, 331, 333, 334, 335,
&end
#
# 16 PHE HZ 35 GLU QB 3.89
&rst
ixpk= 0, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 560, 561,
&end
#
# 16 PHE HZ 35 GLU QG 4.38
&rst
ixpk= 0, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 563, 564,
&end
#
# 16 PHE HZ 36 LEU QQD 3.78
&rst
ixpk= 0, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 580, 581, 582, 584, 585, 586,
&end
#
# 16 PHE HZ 72 LEU QQD 3.60
&rst
ixpk= 0, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 17 TYR H 18 GLN QB 4.69
&rst
ixpk= 0, nxpk= 0, iat= 270, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 295, 296,
&end
#
# 17 TYR H 20 LEU QQD 4.54
&rst
ixpk= 0, nxpk= 0, iat= 270, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 329, 330, 331, 333, 334, 335,
&end
#
# 17 TYR H 72 LEU QQD 4.10
&rst
ixpk= 0, nxpk= 0, iat= 270, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 17 TYR HA 20 LEU QQD 3.52
&rst
ixpk= 0, nxpk= 0, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 329, 330, 331, 333, 334, 335,
&end
#
# 17 TYR QB 20 LEU QQD 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 274, 275,
igr2= 329, 330, 331, 333, 334, 335,
&end
#
# 17 TYR QB 72 LEU QQD 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 274, 275,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 17 TYR QD 20 LEU QQD 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 278, 287,
igr2= 329, 330, 331, 333, 334, 335,
&end
#
# 17 TYR QD 21 LYS QE 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 278, 287,
igr2= 352, 353,
&end
#
# 17 TYR QD 72 LEU QQD 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 278, 287,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 17 TYR QE 21 LYS QE 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 280, 285,
igr2= 352, 353,
&end
#
# 18 GLN H 18 GLN QB 2.71
&rst
ixpk= 0, nxpk= 0, iat= 291, -1, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,
igr2= 295, 296,
&end
#
# 18 GLN H 20 LEU QQD 4.97
&rst
ixpk= 0, nxpk= 0, iat= 291, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr2= 329, 330, 331, 333, 334, 335,
&end
#
# 18 GLN H 21 LYS QE 4.68
&rst
ixpk= 0, nxpk= 0, iat= 291, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 352, 353,
&end
#
# 18 GLN HA 18 GLN QE2 3.81
&rst
ixpk= 0, nxpk= 0, iat= 293, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 303, 304,
&end
#
# 18 GLN HA 21 LYS QE 4.07
&rst
ixpk= 0, nxpk= 0, iat= 293, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2= 352, 353,
&end
#
# 18 GLN QB 18 GLN QE2 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 295, 296,
igr2= 303, 304,
&end
#
# 18 GLN QB 19 ASP H 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1= 295, 296,
&end
#
# 18 GLN QB 19 ASP HA 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 310, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 295, 296,
&end
#
# 18 GLN QB 20 LEU H 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 320, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 295, 296,
&end
#
# 18 GLN QB 21 LYS QE 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 295, 296,
igr2= 352, 353,
&end
#
# 18 GLN QB 22 ASP H 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 361, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 295, 296,
&end
#
# 18 GLN QG 18 GLN QE2 2.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr1= 298, 299,
igr2= 303, 304,
&end
#
# 18 GLN QE2 19 ASP H 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 303, 304,
&end
#
# 18 GLN QE2 19 ASP HA 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 310, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 303, 304,
&end
#
# 18 GLN QE2 21 LYS H 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 303, 304,
&end
#
# 18 GLN QE2 21 LYS QB 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 303, 304,
igr2= 343, 344,
&end
#
# 18 GLN QE2 21 LYS HG2 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 346, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 303, 304,
&end
#
# 18 GLN QE2 21 LYS QD 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 303, 304,
igr2= 349, 350,
&end
#
# 18 GLN QE2 21 LYS QE 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 303, 304,
igr2= 352, 353,
&end
#
# 18 GLN QE2 22 ASP H 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 361, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 303, 304,
&end
#
# 18 GLN QE2 22 ASP HA 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 363, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 303, 304,
&end
#
# 18 GLN QE2 22 ASP QB 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 303, 304,
igr2= 365, 366,
&end
#
# 19 ASP H 19 ASP QB 2.77
&rst
ixpk= 0, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr2= 312, 313,
&end
#
# 19 ASP H 22 ASP QB 4.51
&rst
ixpk= 0, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 365, 366,
&end
#
# 19 ASP QB 20 LEU H 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 320, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1= 312, 313,
&end
#
# 19 ASP QB 20 LEU HA 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 322, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 312, 313,
&end
#
# 19 ASP QB 39 PHE QE 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 312, 313,
igr2= 641, 645,
&end
#
# 19 ASP QB 39 PHE HZ 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 312, 313,
&end
#
# 20 LEU H 20 LEU QQD 3.29
&rst
ixpk= 0, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 329, 330, 331, 333, 334, 335,
&end
#
# 20 LEU HA 20 LEU QQD 3.04
&rst
ixpk= 0, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 329, 330, 331, 333, 334, 335,
&end
#
# 20 LEU HA 35 GLU QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 560, 561,
&end
#
# 20 LEU QQD 21 LYS H 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 329, 330, 331, 333, 334, 335,
&end
#
# 20 LEU QQD 25 VAL H 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 409, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1= 329, 330, 331, 333, 334, 335,
&end
#
# 20 LEU QQD 25 VAL HA 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 411, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr1= 329, 330, 331, 333, 334, 335,
&end
#
# 20 LEU QQD 25 VAL HB 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 413, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 329, 330, 331, 333, 334, 335,
&end
#
# 20 LEU QQD 25 VAL QG1 2.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 329, 330, 331, 333, 334, 335,
igr2= 415, 416, 417,
&end
#
# 20 LEU QQD 25 VAL QG2 2.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 329, 330, 331, 333, 334, 335,
igr2= 419, 420, 421,
&end
#
# 20 LEU QQD 27 PHE QD 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.26, r4= 7.76,
igr1= 329, 330, 331, 333, 334, 335,
igr2= 447, 455,
&end
#
# 20 LEU QQD 27 PHE QE 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 329, 330, 331, 333, 334, 335,
igr2= 449, 453,
&end
#
# 20 LEU QQD 27 PHE HZ 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 329, 330, 331, 333, 334, 335,
&end
#
# 20 LEU QQD 31 THR QG2 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 329, 330, 331, 333, 334, 335,
igr2= 500, 501, 502,
&end
#
# 20 LEU QQD 32 ILE HB 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 329, 330, 331, 333, 334, 335,
&end
#
# 20 LEU QQD 32 ILE QG2 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 329, 330, 331, 333, 334, 335,
igr2= 514, 515, 516,
&end
#
# 20 LEU QQD 32 ILE QD1 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
igr1= 329, 330, 331, 333, 334, 335,
igr2= 521, 522, 523,
&end
#
# 20 LEU QQD 35 GLU H 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 556, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 329, 330, 331, 333, 334, 335,
&end
#
# 20 LEU QQD 35 GLU QB 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 329, 330, 331, 333, 334, 335,
igr2= 560, 561,
&end
#
# 20 LEU QQD 35 GLU QG 3.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,
igr1= 329, 330, 331, 333, 334, 335,
igr2= 563, 564,
&end
#
# 20 LEU QQD 39 PHE QD 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
igr1= 329, 330, 331, 333, 334, 335,
igr2= 639, 647,
&end
#
# 20 LEU QQD 72 LEU HB2 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1= 329, 330, 331, 333, 334, 335,
&end
#
# 20 LEU QQD 72 LEU HB3 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1152, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 329, 330, 331, 333, 334, 335,
&end
#
# 20 LEU QQD 72 LEU HG 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 329, 330, 331, 333, 334, 335,
&end
#
# 20 LEU QQD 72 LEU QQD 3.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 329, 330, 331, 333, 334, 335,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 20 LEU QQD 73 ALA HA 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1,1168, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 329, 330, 331, 333, 334, 335,
&end
#
# 21 LYS QB 21 LYS QE 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 343, 344,
igr2= 352, 353,
&end
#
# 21 LYS HG3 21 LYS QE 3.66
&rst
ixpk= 0, nxpk= 0, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 352, 353,
&end
#
# 21 LYS QE 27 PHE HZ 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 352, 353,
&end
#
# 21 LYS QE 75 HIS HE1 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 352, 353,
&end
#
# 22 ASP H 22 ASP QB 2.75
&rst
ixpk= 0, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,
igr2= 365, 366,
&end
#
# 22 ASP QB 23 ARG H 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 373, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1= 365, 366,
&end
#
# 25 VAL QG1 35 GLU QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 415, 416, 417,
igr2= 560, 561,
&end
#
# 25 VAL QG1 35 GLU QG 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 415, 416, 417,
igr2= 563, 564,
&end
#
# 25 VAL QG2 35 GLU QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 419, 420, 421,
igr2= 560, 561,
&end
#
# 25 VAL QG2 35 GLU QG 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 419, 420, 421,
igr2= 563, 564,
&end
#
# 28 SER H 29 PRO QB 5.18
&rst
ixpk= 0, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 477, 478,
&end
#
# 28 SER HA 28 SER QB 2.65
&rst
ixpk= 0, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr2= 463, 464,
&end
#
# 28 SER QB 29 PRO HG3 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 463, 464,
&end
#
# 29 PRO QB 31 THR HB 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 477, 478,
&end
#
# 30 ALA HA 69 SER QB 4.97
&rst
ixpk= 0, nxpk= 0, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1104,1105,
&end
#
# 31 THR HB 35 GLU QG 5.34
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 563, 564,
&end
#
# 31 THR QG2 35 GLU QB 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 500, 501, 502,
igr2= 560, 561,
&end
#
# 32 ILE HA 35 GLU QB 4.16
&rst
ixpk= 0, nxpk= 0, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 560, 561,
&end
#
# 32 ILE HA 35 GLU QG 4.06
&rst
ixpk= 0, nxpk= 0, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 563, 564,
&end
#
# 32 ILE HB 69 SER QB 4.02
&rst
ixpk= 0, nxpk= 0, iat= 512, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2=1104,1105,
&end
#
# 32 ILE QG2 35 GLU QG 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 514, 515, 516,
igr2= 563, 564,
&end
#
# 32 ILE QG2 69 SER QB 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 514, 515, 516,
igr2=1104,1105,
&end
#
# 32 ILE QD1 35 GLU QG 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 521, 522, 523,
igr2= 563, 564,
&end
#
# 33 GLU H 69 SER QB 3.18
&rst
ixpk= 0, nxpk= 0, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2=1104,1105,
&end
#
# 33 GLU HA 36 LEU QQD 4.19
&rst
ixpk= 0, nxpk= 0, iat= 529, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2= 580, 581, 582, 584, 585, 586,
&end
#
# 33 GLU HA 65 ILE QG1 4.21
&rst
ixpk= 0, nxpk= 0, iat= 529, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1046,1047,
&end
#
# 33 GLU HB2 65 ILE QG1 4.62
&rst
ixpk= 0, nxpk= 0, iat= 531, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1046,1047,
&end
#
# 33 GLU HG2 69 SER QB 3.40
&rst
ixpk= 0, nxpk= 0, iat= 534, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1104,1105,
&end
#
# 33 GLU HG3 69 SER QB 3.99
&rst
ixpk= 0, nxpk= 0, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=1104,1105,
&end
#
# 34 ASN H 35 GLU QG 4.20
&rst
ixpk= 0, nxpk= 0, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 563, 564,
&end
#
# 34 ASN H 69 SER QB 4.97
&rst
ixpk= 0, nxpk= 0, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1104,1105,
&end
#
# 34 ASN HB3 35 GLU QG 4.49
&rst
ixpk= 0, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 563, 564,
&end
#
# 35 GLU H 35 GLU QB 3.12
&rst
ixpk= 0, nxpk= 0, iat= 556, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 560, 561,
&end
#
# 35 GLU QB 36 LEU H 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 571, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 560, 561,
&end
#
# 35 GLU QB 39 PHE QD 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 560, 561,
igr2= 639, 647,
&end
#
# 35 GLU QG 36 LEU H 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 571, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 563, 564,
&end
#
# 36 LEU H 36 LEU QQD 3.87
&rst
ixpk= 0, nxpk= 0, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 580, 581, 582, 584, 585, 586,
&end
#
# 36 LEU H 72 LEU QQD 4.38
&rst
ixpk= 0, nxpk= 0, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 36 LEU HA 36 LEU QQD 2.86
&rst
ixpk= 0, nxpk= 0, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 580, 581, 582, 584, 585, 586,
&end
#
# 36 LEU HA 72 LEU QQD 4.55
&rst
ixpk= 0, nxpk= 0, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 36 LEU HB2 72 LEU QQD 4.35
&rst
ixpk= 0, nxpk= 0, iat= 575, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 36 LEU HB3 36 LEU QQD 3.06
&rst
ixpk= 0, nxpk= 0, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 580, 581, 582, 584, 585, 586,
&end
#
# 36 LEU HB3 65 ILE QG1 3.79
&rst
ixpk= 0, nxpk= 0, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=1046,1047,
&end
#
# 36 LEU HG 72 LEU QQD 3.58
&rst
ixpk= 0, nxpk= 0, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 36 LEU QQD 37 ILE H 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 590, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 580, 581, 582, 584, 585, 586,
&end
#
# 36 LEU QQD 39 PHE HB2 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 580, 581, 582, 584, 585, 586,
&end
#
# 36 LEU QQD 39 PHE HB3 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 636, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 580, 581, 582, 584, 585, 586,
&end
#
# 36 LEU QQD 40 CYS H 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 580, 581, 582, 584, 585, 586,
&end
#
# 36 LEU QQD 41 ARG H 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 661, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 580, 581, 582, 584, 585, 586,
&end
#
# 36 LEU QQD 51 CYS QB 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 580, 581, 582, 584, 585, 586,
igr2= 839, 840,
&end
#
# 36 LEU QQD 54 ILE HA 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 889, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 580, 581, 582, 584, 585, 586,
&end
#
# 36 LEU QQD 54 ILE HB 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 891, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 580, 581, 582, 584, 585, 586,
&end
#
# 36 LEU QQD 54 ILE QG2 2.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 580, 581, 582, 584, 585, 586,
igr2= 893, 894, 895,
&end
#
# 36 LEU QQD 55 GLY H 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 906, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 580, 581, 582, 584, 585, 586,
&end
#
# 36 LEU QQD 56 ALA H 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 913, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1= 580, 581, 582, 584, 585, 586,
&end
#
# 36 LEU QQD 56 ALA QB 3.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 580, 581, 582, 584, 585, 586,
igr2= 917, 918, 919,
&end
#
# 36 LEU QQD 65 ILE HA 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1038, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 580, 581, 582, 584, 585, 586,
&end
#
# 36 LEU QQD 65 ILE QG1 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 580, 581, 582, 584, 585, 586,
igr2=1046,1047,
&end
#
# 36 LEU QQD 65 ILE QD1 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 580, 581, 582, 584, 585, 586,
igr2=1049,1050,1051,
&end
#
# 36 LEU QQD 68 VAL H 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1,1084, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 580, 581, 582, 584, 585, 586,
&end
#
# 36 LEU QQD 68 VAL HB 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1088, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 580, 581, 582, 584, 585, 586,
&end
#
# 36 LEU QQD 68 VAL QG1 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 580, 581, 582, 584, 585, 586,
igr2=1090,1091,1092,
&end
#
# 36 LEU QQD 69 SER H 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1100, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 580, 581, 582, 584, 585, 586,
&end
#
# 36 LEU QQD 69 SER QB 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,
igr1= 580, 581, 582, 584, 585, 586,
igr2=1104,1105,
&end
#
# 36 LEU QQD 72 LEU QQD 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
igr1= 580, 581, 582, 584, 585, 586,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 37 ILE HA 40 CYS QB 4.48
&rst
ixpk= 0, nxpk= 0, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 655, 656,
&end
#
# 38 LYS H 41 ARG QG 5.34
&rst
ixpk= 0, nxpk= 0, iat= 609, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 668, 669,
&end
#
# 38 LYS HA 41 ARG QG 3.44
&rst
ixpk= 0, nxpk= 0, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 668, 669,
&end
#
# 39 PHE H 40 CYS QB 4.23
&rst
ixpk= 0, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2= 655, 656,
&end
#
# 40 CYS H 40 CYS QB 2.98
&rst
ixpk= 0, nxpk= 0, iat= 651, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2= 655, 656,
&end
#
# 40 CYS H 51 CYS QB 5.09
&rst
ixpk= 0, nxpk= 0, iat= 651, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr2= 839, 840,
&end
#
# 40 CYS QB 41 ARG H 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 661, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 655, 656,
&end
#
# 40 CYS QB 48 ASN HA 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 780, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 655, 656,
&end
#
# 40 CYS QB 56 ALA QB 3.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 655, 656,
igr2= 917, 918, 919,
&end
#
# 40 CYS QB 57 THR H 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 923, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 655, 656,
&end
#
# 40 CYS QB 57 THR QG2 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 655, 656,
igr2= 929, 930, 931,
&end
#
# 41 ARG QG 41 ARG QD 2.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1= 668, 669,
igr2= 671, 672,
&end
#
# 41 ARG QG 42 GLU H 2.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 685, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 668, 669,
&end
#
# 41 ARG QG 42 GLU QG 3.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1= 668, 669,
igr2= 692, 693,
&end
#
# 41 ARG QG 43 ALA H 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 700, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 668, 669,
&end
#
# 42 GLU H 42 GLU QB 2.92
&rst
ixpk= 0, nxpk= 0, iat= 685, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr2= 689, 690,
&end
#
# 42 GLU H 42 GLU QG 2.93
&rst
ixpk= 0, nxpk= 0, iat= 685, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2= 692, 693,
&end
#
# 42 GLU HA 42 GLU QG 3.41
&rst
ixpk= 0, nxpk= 0, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 692, 693,
&end
#
# 42 GLU QB 42 GLU QG 2.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,
igr1= 689, 690,
igr2= 692, 693,
&end
#
# 42 GLU QG 43 ALA H 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 700, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 692, 693,
&end
#
# 43 ALA QB 47 GLU QG 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 704, 705, 706,
igr2= 770, 771,
&end
#
# 44 ARG H 47 GLU QG 4.59
&rst
ixpk= 0, nxpk= 0, iat= 710, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 770, 771,
&end
#
# 44 ARG QG 45 GLY QA 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 717, 718,
igr2= 736, 737,
&end
#
# 44 ARG QD 45 GLY QA 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 720, 721,
igr2= 736, 737,
&end
#
# 44 ARG QD 47 GLU H 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 763, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 720, 721,
&end
#
# 45 GLY QA 48 ASN H 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 778, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 736, 737,
&end
#
# 46 LYS QB 95 LEU QB 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 745, 746,
igr2=1535,1536,
&end
#
# 46 LYS QG 95 LEU QQD 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr1= 748, 749,
igr2=1540,1541,1542,1544,1545,1546,
&end
#
# 46 LYS QD 47 GLU H 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 763, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 751, 752,
&end
#
# 46 LYS QD 95 LEU QB 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 751, 752,
igr2=1535,1536,
&end
#
# 47 GLU H 47 GLU QG 3.46
&rst
ixpk= 0, nxpk= 0, iat= 763, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 770, 771,
&end
#
# 47 GLU HA 47 GLU QG 3.60
&rst
ixpk= 0, nxpk= 0, iat= 765, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 770, 771,
&end
#
# 47 GLU HA 50 LEU QQD 3.42
&rst
ixpk= 0, nxpk= 0, iat= 765, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 825, 826, 827, 829, 830, 831,
&end
#
# 47 GLU HB3 50 LEU QQD 3.70
&rst
ixpk= 0, nxpk= 0, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 825, 826, 827, 829, 830, 831,
&end
#
# 47 GLU QG 48 ASN H 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 778, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 770, 771,
&end
#
# 47 GLU QG 48 ASN HD21 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 770, 771,
&end
#
# 47 GLU QG 50 LEU HG 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 823, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 770, 771,
&end
#
# 47 GLU QG 50 LEU QQD 3.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 770, 771,
igr2= 825, 826, 827, 829, 830, 831,
&end
#
# 48 ASN H 48 ASN QB 3.32
&rst
ixpk= 0, nxpk= 0, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 782, 783,
&end
#
# 48 ASN HA 51 CYS QB 4.57
&rst
ixpk= 0, nxpk= 0, iat= 780, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 839, 840,
&end
#
# 48 ASN QB 48 ASN HD22 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 788, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 782, 783,
&end
#
# 48 ASN QB 49 ARG H 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 792, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 782, 783,
&end
#
# 48 ASN QB 49 ARG QB 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 782, 783,
igr2= 796, 797,
&end
#
# 48 ASN QB 50 LEU H 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 816, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 782, 783,
&end
#
# 48 ASN QB 50 LEU QQD 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,
igr1= 782, 783,
igr2= 825, 826, 827, 829, 830, 831,
&end
#
# 48 ASN HD21 50 LEU QQD 5.01
&rst
ixpk= 0, nxpk= 0, iat= 787, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr2= 825, 826, 827, 829, 830, 831,
&end
#
# 49 ARG H 50 LEU QQD 4.28
&rst
ixpk= 0, nxpk= 0, iat= 792, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2= 825, 826, 827, 829, 830, 831,
&end
#
# 49 ARG H 95 LEU QQD 4.08
&rst
ixpk= 0, nxpk= 0, iat= 792, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1540,1541,1542,1544,1545,1546,
&end
#
# 49 ARG QB 95 LEU QQD 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 796, 797,
igr2=1540,1541,1542,1544,1545,1546,
&end
#
# 49 ARG QG 95 LEU QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 799, 800,
igr2=1535,1536,
&end
#
# 49 ARG QG 95 LEU QQD 2.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 799, 800,
igr2=1540,1541,1542,1544,1545,1546,
&end
#
# 49 ARG HD2 95 LEU QQD 3.51
&rst
ixpk= 0, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1540,1541,1542,1544,1545,1546,
&end
#
# 50 LEU H 50 LEU QQD 3.53
&rst
ixpk= 0, nxpk= 0, iat= 816, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 825, 826, 827, 829, 830, 831,
&end
#
# 50 LEU H 95 LEU QQD 3.98
&rst
ixpk= 0, nxpk= 0, iat= 816, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1540,1541,1542,1544,1545,1546,
&end
#
# 50 LEU HA 50 LEU QQD 3.50
&rst
ixpk= 0, nxpk= 0, iat= 818, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 825, 826, 827, 829, 830, 831,
&end
#
# 50 LEU HA 95 LEU QQD 3.58
&rst
ixpk= 0, nxpk= 0, iat= 818, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1540,1541,1542,1544,1545,1546,
&end
#
# 50 LEU HB3 50 LEU QQD 3.14
&rst
ixpk= 0, nxpk= 0, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 825, 826, 827, 829, 830, 831,
&end
#
# 50 LEU QQD 51 CYS H 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 835, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 825, 826, 827, 829, 830, 831,
&end
#
# 50 LEU QQD 51 CYS QB 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87,
igr1= 825, 826, 827, 829, 830, 831,
igr2= 839, 840,
&end
#
# 50 LEU QQD 53 TYR QD 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1= 825, 826, 827, 829, 830, 831,
igr2= 874, 883,
&end
#
# 51 CYS H 51 CYS QB 3.47
&rst
ixpk= 0, nxpk= 0, iat= 835, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 839, 840,
&end
#
# 51 CYS QB 52 TYR H 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 839, 840,
&end
#
# 51 CYS QB 52 TYR HA 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 847, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 839, 840,
&end
#
# 51 CYS QB 54 ILE H 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 887, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 839, 840,
&end
#
# 51 CYS QB 54 ILE HB 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 891, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 839, 840,
&end
#
# 51 CYS QB 54 ILE QD1 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 839, 840,
igr2= 900, 901, 902,
&end
#
# 51 CYS QB 56 ALA QB 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 839, 840,
igr2= 917, 918, 919,
&end
#
# 51 CYS QB 57 THR H 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 923, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 839, 840,
&end
#
# 51 CYS QB 57 THR QG2 3.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 839, 840,
igr2= 929, 930, 931,
&end
#
# 52 TYR QD 59 ASP QB 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 853, 862,
igr2= 953, 954,
&end
#
# 53 TYR HA 92 ILE QG1 5.34
&rst
ixpk= 0, nxpk= 0, iat= 868, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1497,1498,
&end
#
# 53 TYR HB2 92 ILE QG1 3.73
&rst
ixpk= 0, nxpk= 0, iat= 870, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1497,1498,
&end
#
# 53 TYR HB3 92 ILE QG1 4.01
&rst
ixpk= 0, nxpk= 0, iat= 871, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=1497,1498,
&end
#
# 53 TYR QD 92 ILE QG1 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 874, 883,
igr2=1497,1498,
&end
#
# 53 TYR QE 92 ILE QG1 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 876, 881,
igr2=1497,1498,
&end
#
# 53 TYR QE 95 LEU QQD 2.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 876, 881,
igr2=1540,1541,1542,1544,1545,1546,
&end
#
# 54 ILE H 55 GLY QA 4.90
&rst
ixpk= 0, nxpk= 0, iat= 887, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 908, 909,
&end
#
# 54 ILE HA 64 ILE QG1 3.55
&rst
ixpk= 0, nxpk= 0, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=1027,1028,
&end
#
# 54 ILE QG2 55 GLY QA 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 893, 894, 895,
igr2= 908, 909,
&end
#
# 55 GLY H 65 ILE QG1 5.34
&rst
ixpk= 0, nxpk= 0, iat= 906, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1046,1047,
&end
#
# 55 GLY QA 57 THR H 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 923, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 908, 909,
&end
#
# 55 GLY QA 60 ALA H 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 961, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 908, 909,
&end
#
# 55 GLY QA 60 ALA QB 2.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr1= 908, 909,
igr2= 965, 966, 967,
&end
#
# 55 GLY QA 64 ILE QG1 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 908, 909,
igr2=1027,1028,
&end
#
# 55 GLY QA 64 ILE QD1 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 908, 909,
igr2=1030,1031,1032,
&end
#
# 55 GLY QA 65 ILE HB 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1,1040, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 908, 909,
&end
#
# 57 THR H 59 ASP QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 923, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 953, 954,
&end
#
# 57 THR HB 58 ASP QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 927, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 941, 942,
&end
#
# 57 THR HB 59 ASP QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 927, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 953, 954,
&end
#
# 59 ASP H 59 ASP QB 3.23
&rst
ixpk= 0, nxpk= 0, iat= 949, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 953, 954,
&end
#
# 59 ASP QB 60 ALA H 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 961, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 953, 954,
&end
#
# 62 THR HB 64 ILE QG1 3.84
&rst
ixpk= 0, nxpk= 0, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=1027,1028,
&end
#
# 63 LYS QB 63 LYS QE 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 999,1000,
igr2=1008,1009,
&end
#
# 63 LYS QB 65 ILE QG2 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 999,1000,
igr2=1042,1043,1044,
&end
#
# 64 ILE QG1 65 ILE H 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1027,1028,
&end
#
# 65 ILE H 65 ILE QG1 4.56
&rst
ixpk= 0, nxpk= 0, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1046,1047,
&end
#
# 65 ILE H 66 ASN QB 5.34
&rst
ixpk= 0, nxpk= 0, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1059,1060,
&end
#
# 65 ILE HA 65 ILE QG1 3.32
&rst
ixpk= 0, nxpk= 0, iat=1038, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2=1046,1047,
&end
#
# 65 ILE QG2 65 ILE QG1 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1=1042,1043,1044,
igr2=1046,1047,
&end
#
# 65 ILE QG2 66 ASN QB 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1=1042,1043,1044,
igr2=1059,1060,
&end
#
# 65 ILE QG1 68 VAL HB 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1088, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1046,1047,
&end
#
# 65 ILE QG1 69 SER H 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1100, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1046,1047,
&end
#
# 65 ILE QG1 69 SER QB 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1=1046,1047,
igr2=1104,1105,
&end
#
# 65 ILE QD1 66 ASN QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1=1049,1050,1051,
igr2=1059,1060,
&end
#
# 65 ILE QD1 69 SER QB 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1=1049,1050,1051,
igr2=1104,1105,
&end
#
# 66 ASN HA 69 SER QB 4.60
&rst
ixpk= 0, nxpk= 0, iat=1057, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1104,1105,
&end
#
# 66 ASN QB 67 GLU H 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1069, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1059,1060,
&end
#
# 66 ASN QB 68 VAL H 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1084, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1059,1060,
&end
#
# 66 ASN QB 70 LYS H 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1,1111, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1059,1060,
&end
#
# 66 ASN QB 70 LYS HG2 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1118, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1059,1060,
&end
#
# 66 ASN QB 70 LYS HG3 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=1059,1060,
&end
#
# 67 GLU H 67 GLU QG 3.72
&rst
ixpk= 0, nxpk= 0, iat=1069, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=1076,1077,
&end
#
# 67 GLU HA 67 GLU QG 3.41
&rst
ixpk= 0, nxpk= 0, iat=1071, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=1076,1077,
&end
#
# 68 VAL H 69 SER QB 4.57
&rst
ixpk= 0, nxpk= 0, iat=1084, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1104,1105,
&end
#
# 68 VAL HB 69 SER QB 4.98
&rst
ixpk= 0, nxpk= 0, iat=1088, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2=1104,1105,
&end
#
# 69 SER H 69 SER QB 3.66
&rst
ixpk= 0, nxpk= 0, iat=1100, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1104,1105,
&end
#
# 69 SER H 72 LEU QQD 4.93
&rst
ixpk= 0, nxpk= 0, iat=1100, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 69 SER HA 72 LEU QQD 4.27
&rst
ixpk= 0, nxpk= 0, iat=1102, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 71 PRO QD 72 LEU QQD 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
igr1=1134,1135,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 72 LEU H 72 LEU QQD 2.98
&rst
ixpk= 0, nxpk= 0, iat=1147, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 72 LEU HA 72 LEU QQD 2.90
&rst
ixpk= 0, nxpk= 0, iat=1149, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 72 LEU HB2 72 LEU QQD 3.09
&rst
ixpk= 0, nxpk= 0, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2=1156,1157,1158,1160,1161,1162,
&end
#
# 72 LEU QQD 73 ALA H 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1166, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1=1156,1157,1158,1160,1161,1162,
&end
#
# 72 LEU QQD 73 ALA HA 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1168, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1=1156,1157,1158,1160,1161,1162,
&end
#
# 72 LEU QQD 75 HIS H 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1193, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1=1156,1157,1158,1160,1161,1162,
&end
#
# 75 HIS QB 76 ILE H 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1=1197,1198,
&end
#
# 78 VAL HA 81 ILE QG1 4.68
&rst
ixpk= 0, nxpk= 0, iat=1245, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1306,1307,
&end
#
# 79 GLU H 79 GLU QB 2.99
&rst
ixpk= 0, nxpk= 0, iat=1259, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1263,1264,
&end
#
# 79 GLU H 79 GLU QG 4.15
&rst
ixpk= 0, nxpk= 0, iat=1259, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1266,1267,
&end
#
# 79 GLU H 80 LYS QG 4.57
&rst
ixpk= 0, nxpk= 0, iat=1259, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1281,1282,
&end
#
# 79 GLU QB 80 LYS H 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1274, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1=1263,1264,
&end
#
# 79 GLU QG 80 LYS QG 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=1266,1267,
igr2=1281,1282,
&end
#
# 79 GLU QG 82 CYS H 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1315, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1266,1267,
&end
#
# 80 LYS H 80 LYS QB 3.24
&rst
ixpk= 0, nxpk= 0, iat=1274, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2=1278,1279,
&end
#
# 80 LYS H 80 LYS QD 4.95
&rst
ixpk= 0, nxpk= 0, iat=1274, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1284,1285,
&end
#
# 80 LYS H 81 ILE QG1 4.99
&rst
ixpk= 0, nxpk= 0, iat=1274, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1306,1307,
&end
#
# 80 LYS H 83 GLU QG 4.94
&rst
ixpk= 0, nxpk= 0, iat=1274, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1332,1333,
&end
#
# 80 LYS HA 80 LYS QG 3.73
&rst
ixpk= 0, nxpk= 0, iat=1276, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1281,1282,
&end
#
# 80 LYS HA 83 GLU QG 3.66
&rst
ixpk= 0, nxpk= 0, iat=1276, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1332,1333,
&end
#
# 80 LYS QB 80 LYS QD 2.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr1=1278,1279,
igr2=1284,1285,
&end
#
# 80 LYS QB 80 LYS QE 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1=1278,1279,
igr2=1287,1288,
&end
#
# 80 LYS QB 81 ILE HA 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1298, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1278,1279,
&end
#
# 80 LYS QB 83 GLU QG 3.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1=1278,1279,
igr2=1332,1333,
&end
#
# 80 LYS QG 80 LYS QD 2.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41,
igr1=1281,1282,
igr2=1284,1285,
&end
#
# 80 LYS QG 81 ILE H 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1296, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1281,1282,
&end
#
# 80 LYS QG 82 CYS H 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1315, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1281,1282,
&end
#
# 80 LYS QD 81 ILE H 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1296, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1284,1285,
&end
#
# 81 ILE H 81 ILE QG1 3.50
&rst
ixpk= 0, nxpk= 0, iat=1296, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1306,1307,
&end
#
# 81 ILE HA 84 LYS QD 4.83
&rst
ixpk= 0, nxpk= 0, iat=1298, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1350,1351,
&end
#
# 81 ILE QG2 81 ILE QG1 3.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1=1302,1303,1304,
igr2=1306,1307,
&end
#
# 81 ILE QG1 82 CYS H 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1315, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1306,1307,
&end
#
# 82 CYS H 84 LYS QD 5.34
&rst
ixpk= 0, nxpk= 0, iat=1315, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1350,1351,
&end
#
# 82 CYS HA 85 LEU QB 3.88
&rst
ixpk= 0, nxpk= 0, iat=1317, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2=1366,1367,
&end
#
# 82 CYS HA 85 LEU QQD 3.59
&rst
ixpk= 0, nxpk= 0, iat=1317, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1371,1372,1373,1375,1376,1377,
&end
#
# 83 GLU HA 83 GLU QG 3.51
&rst
ixpk= 0, nxpk= 0, iat=1327, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=1332,1333,
&end
#
# 83 GLU QG 84 LYS QE 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1332,1333,
igr2=1353,1354,
&end
#
# 84 LYS H 84 LYS QD 3.78
&rst
ixpk= 0, nxpk= 0, iat=1340, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1350,1351,
&end
#
# 84 LYS H 85 LEU QB 5.33
&rst
ixpk= 0, nxpk= 0, iat=1340, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1366,1367,
&end
#
# 84 LYS H 85 LEU QQD 4.43
&rst
ixpk= 0, nxpk= 0, iat=1340, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=1371,1372,1373,1375,1376,1377,
&end
#
# 84 LYS HA 84 LYS QD 3.32
&rst
ixpk= 0, nxpk= 0, iat=1342, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2=1350,1351,
&end
#
# 85 LEU H 85 LEU QB 3.43
&rst
ixpk= 0, nxpk= 0, iat=1362, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2=1366,1367,
&end
#
# 85 LEU H 85 LEU QQD 3.31
&rst
ixpk= 0, nxpk= 0, iat=1362, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1371,1372,1373,1375,1376,1377,
&end
#
# 85 LEU HA 85 LEU QB 2.56
&rst
ixpk= 0, nxpk= 0, iat=1364, -1, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37,
igr2=1366,1367,
&end
#
# 85 LEU HA 85 LEU QQD 3.17
&rst
ixpk= 0, nxpk= 0, iat=1364, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1371,1372,1373,1375,1376,1377,
&end
#
# 85 LEU QB 85 LEU QQD 2.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr1=1366,1367,
igr2=1371,1372,1373,1375,1376,1377,
&end
#
# 85 LEU QB 86 LYS H 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1381, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1=1366,1367,
&end
#
# 85 LEU QQD 86 LYS H 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1,1381, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1=1371,1372,1373,1375,1376,1377,
&end
#
# 85 LEU QQD 88 LYS HA 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1427, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1=1371,1372,1373,1375,1376,1377,
&end
#
# 85 LEU QQD 88 LYS QE 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.23, r4= 8.73,
igr1=1371,1372,1373,1375,1376,1377,
igr2=1438,1439,
&end
#
# 85 LEU QQD 89 ASP H 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1447, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1371,1372,1373,1375,1376,1377,
&end
#
# 86 LYS H 86 LYS QB 3.07
&rst
ixpk= 0, nxpk= 0, iat=1381, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr2=1385,1386,
&end
#
# 86 LYS QB 86 LYS QD 2.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1385,1386,
igr2=1391,1392,
&end
#
# 86 LYS QB 86 LYS QE 2.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1385,1386,
igr2=1394,1395,
&end
#
# 86 LYS QB 87 LYS H 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1,1403, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1=1385,1386,
&end
#
# 87 LYS H 88 LYS QG 5.22
&rst
ixpk= 0, nxpk= 0, iat=1403, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=1432,1433,
&end
#
# 88 LYS H 88 LYS QB 3.26
&rst
ixpk= 0, nxpk= 0, iat=1425, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2=1429,1430,
&end
#
# 88 LYS H 88 LYS QG 3.54
&rst
ixpk= 0, nxpk= 0, iat=1425, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2=1432,1433,
&end
#
# 88 LYS HA 88 LYS QG 3.42
&rst
ixpk= 0, nxpk= 0, iat=1427, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=1432,1433,
&end
#
# 88 LYS QB 88 LYS QG 2.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,
igr1=1429,1430,
igr2=1432,1433,
&end
#
# 88 LYS QB 88 LYS QD 3.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1=1429,1430,
igr2=1435,1436,
&end
#
# 88 LYS QB 89 ASP H 2.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1447, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr1=1429,1430,
&end
#
# 88 LYS QG 89 ASP H 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1447, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1432,1433,
&end
#
# 89 ASP H 92 ILE QG1 4.06
&rst
ixpk= 0, nxpk= 0, iat=1447, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1497,1498,
&end
#
# 89 ASP QB 92 ILE QG1 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=1451,1452,
igr2=1497,1498,
&end
#
# 90 SER H 94 GLU QG 5.34
&rst
ixpk= 0, nxpk= 0, iat=1459, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1523,1524,
&end
#
# 91 GLN H 94 GLU QB 5.34
&rst
ixpk= 0, nxpk= 0, iat=1470, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1520,1521,
&end
#
# 91 GLN H 94 GLU QG 4.35
&rst
ixpk= 0, nxpk= 0, iat=1470, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1523,1524,
&end
#
# 91 GLN HA 94 GLU QG 3.58
&rst
ixpk= 0, nxpk= 0, iat=1472, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1523,1524,
&end
#
# 91 GLN HB2 94 GLU QG 5.20
&rst
ixpk= 0, nxpk= 0, iat=1474, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1523,1524,
&end
#
# 91 GLN HE21 94 GLU QG 4.18
&rst
ixpk= 0, nxpk= 0, iat=1482, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2=1523,1524,
&end
#
# 91 GLN HE22 94 GLU QB 3.72
&rst
ixpk= 0, nxpk= 0, iat=1483, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=1520,1521,
&end
#
# 91 GLN HE22 94 GLU QG 4.07
&rst
ixpk= 0, nxpk= 0, iat=1483, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2=1523,1524,
&end
#
# 92 ILE H 92 ILE QG1 3.42
&rst
ixpk= 0, nxpk= 0, iat=1487, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=1497,1498,
&end
#
# 92 ILE H 94 GLU QG 4.64
&rst
ixpk= 0, nxpk= 0, iat=1487, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1523,1524,
&end
#
# 92 ILE HA 92 ILE QG1 3.29
&rst
ixpk= 0, nxpk= 0, iat=1489, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2=1497,1498,
&end
#
# 92 ILE HA 95 LEU QQD 3.68
&rst
ixpk= 0, nxpk= 0, iat=1489, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=1540,1541,1542,1544,1545,1546,
&end
#
# 94 GLU HA 94 GLU QB 2.61
&rst
ixpk= 0, nxpk= 0, iat=1518, -1, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,
igr2=1520,1521,
&end
#
# 94 GLU HA 94 GLU QG 3.53
&rst
ixpk= 0, nxpk= 0, iat=1518, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1523,1524,
&end
#
# 94 GLU QB 95 LEU QQD 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1=1520,1521,
igr2=1540,1541,1542,1544,1545,1546,
&end
#
# 94 GLU QB 99 LYS H 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1605, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1520,1521,
&end
#
# 94 GLU QB 99 LYS HA 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1,1607, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1520,1521,
&end
#
# 94 GLU QB 100 GLN H 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1627, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1520,1521,
&end
#
# 95 LEU HA 95 LEU QQD 3.27
&rst
ixpk= 0, nxpk= 0, iat=1533, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1540,1541,1542,1544,1545,1546,
&end
#
# 95 LEU HA 96 LYS QB 5.34
&rst
ixpk= 0, nxpk= 0, iat=1533, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1554,1555,
&end
#
# 95 LEU QQD 96 LYS H 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1550, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1=1540,1541,1542,1544,1545,1546,
&end
#
# 96 LYS QB 97 TYR HA 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1574, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1554,1555,
&end
#
# 96 LYS QB 97 TYR QB 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1554,1555,
igr2=1576,1577,
&end
#
# 97 TYR QB 99 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=1576,1577,
igr2=1612,1613,
&end
#
# 99 LYS QB 99 LYS QE 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1609,1610,
igr2=1618,1619,
&end
#
# 100 GLN H 100 GLN QB 3.55
&rst
ixpk= 0, nxpk= 0, iat=1627, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=1631,1632,
&end
#
# 100 GLN QB 101 ILE H 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1644, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1=1631,1632,
&end
#
# 100 GLN QG 101 ILE H 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1,1644, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1634,1635,
&end
#
# 101 ILE H 101 ILE QG1 3.58
&rst
ixpk= 0, nxpk= 0, iat=1644, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1654,1655,
&end
#
# 101 ILE HA 101 ILE QG1 3.59
&rst
ixpk= 0, nxpk= 0, iat=1646, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2=1654,1655,
&end
#
# 101 ILE QG2 101 ILE QG1 3.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1=1650,1651,1652,
igr2=1654,1655,
&end
#
# 101 ILE QG1 102 ASP H 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1663, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1=1654,1655,
&end
#
# 101 ILE QG1 102 ASP HA 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1665, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1654,1655,
&end
#
# 101 ILE QG1 103 LEU H 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1675, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1654,1655,
&end
#
# 101 ILE QG1 103 LEU HB3 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1680, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1=1654,1655,
&end
#
# 101 ILE QG1 103 LEU QQD 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1654,1655,
igr2=1684,1685,1686,1688,1689,1690,
&end
#
# 101 ILE QG1 104 SER H 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1694, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1=1654,1655,
&end
#
# 102 ASP H 102 ASP QB 3.24
&rst
ixpk= 0, nxpk= 0, iat=1663, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2=1667,1668,
&end
#
# 102 ASP H 103 LEU QQD 5.04
&rst
ixpk= 0, nxpk= 0, iat=1663, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2=1684,1685,1686,1688,1689,1690,
&end
#
# 102 ASP QB 103 LEU H 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1,1675, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1=1667,1668,
&end
#
# 102 ASP QB 104 SER H 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1,1694, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1667,1668,
&end
#
# 102 ASP QB 105 THR H 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1705, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1667,1668,
&end
#
# 102 ASP QB 105 THR QG2 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1667,1668,
igr2=1711,1712,1713,
&end
#
# 102 ASP QB 106 VAL H 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1719, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1667,1668,
&end
#
# 103 LEU H 106 VAL QQG 4.38
&rst
ixpk= 0, nxpk= 0, iat=1675, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=1725,1726,1727,1729,1730,1731,
&end
#
# 103 LEU HA 103 LEU QQD 2.65
&rst
ixpk= 0, nxpk= 0, iat=1677, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2=1684,1685,1686,1688,1689,1690,
&end
#
# 103 LEU HB3 106 VAL QQG 3.82
&rst
ixpk= 0, nxpk= 0, iat=1680, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1725,1726,1727,1729,1730,1731,
&end
#
# 103 LEU HB3 107 ASP QB 3.62
&rst
ixpk= 0, nxpk= 0, iat=1680, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=1739,1740,
&end
#
# 103 LEU QQD 107 ASP H 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1,1735, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1=1684,1685,1686,1688,1689,1690,
&end
#
# 103 LEU QQD 107 ASP QB 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr1=1684,1685,1686,1688,1689,1690,
igr2=1739,1740,
&end
#
# 103 LEU QQD 144 MET QE 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1=1684,1685,1686,1688,1689,1690,
igr2=2374,2375,2376,
&end
#
# 104 SER H 106 VAL QQG 4.68
&rst
ixpk= 0, nxpk= 0, iat=1694, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr2=1725,1726,1727,1729,1730,1731,
&end
#
# 104 SER H 107 ASP QB 4.44
&rst
ixpk= 0, nxpk= 0, iat=1694, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=1739,1740,
&end
#
# 104 SER QB 105 THR H 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1,1705, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1=1698,1699,
&end
#
# 105 THR H 106 VAL QQG 4.19
&rst
ixpk= 0, nxpk= 0, iat=1705, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2=1725,1726,1727,1729,1730,1731,
&end
#
# 105 THR H 107 ASP QB 5.08
&rst
ixpk= 0, nxpk= 0, iat=1705, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1739,1740,
&end
#
# 106 VAL H 106 VAL QQG 2.80
&rst
ixpk= 0, nxpk= 0, iat=1719, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1725,1726,1727,1729,1730,1731,
&end
#
# 106 VAL H 107 ASP QB 4.44
&rst
ixpk= 0, nxpk= 0, iat=1719, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=1739,1740,
&end
#
# 106 VAL HA 106 VAL QQG 2.74
&rst
ixpk= 0, nxpk= 0, iat=1721, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2=1725,1726,1727,1729,1730,1731,
&end
#
# 107 ASP QB 108 LEU H 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1,1747, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=1739,1740,
&end
#
# 107 ASP QB 109 LYS H 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1,1766, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1=1739,1740,
&end
#
# 107 ASP QB 110 LYS H 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1788, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1=1739,1740,
&end
#
# 107 ASP QB 110 LYS HA 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1790, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1739,1740,
&end
#
# 107 ASP QB 110 LYS QG 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1=1739,1740,
igr2=1795,1796,
&end
#
# 107 ASP QB 111 LEU H 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1810, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1739,1740,
&end
#
# 108 LEU H 108 LEU QQD 3.18
&rst
ixpk= 0, nxpk= 0, iat=1747, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=1756,1757,1758,1760,1761,1762,
&end
#
# 108 LEU HA 108 LEU QQD 2.88
&rst
ixpk= 0, nxpk= 0, iat=1749, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=1756,1757,1758,1760,1761,1762,
&end
#
# 108 LEU HA 111 LEU QB 3.07
&rst
ixpk= 0, nxpk= 0, iat=1749, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr2=1814,1815,
&end
#
# 108 LEU HA 111 LEU QQD 3.00
&rst
ixpk= 0, nxpk= 0, iat=1749, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1819,1820,1821,1823,1824,1825,
&end
#
# 108 LEU HA 116 LEU QQD 3.98
&rst
ixpk= 0, nxpk= 0, iat=1749, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1915,1916,1917,1919,1920,1921,
&end
#
# 108 LEU HB2 108 LEU QQD 2.69
&rst
ixpk= 0, nxpk= 0, iat=1751, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2=1756,1757,1758,1760,1761,1762,
&end
#
# 108 LEU HB2 116 LEU QQD 3.63
&rst
ixpk= 0, nxpk= 0, iat=1751, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1915,1916,1917,1919,1920,1921,
&end
#
# 108 LEU HB3 116 LEU QQD 2.94
&rst
ixpk= 0, nxpk= 0, iat=1752, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1915,1916,1917,1919,1920,1921,
&end
#
# 108 LEU QQD 109 LYS H 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1766, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1=1756,1757,1758,1760,1761,1762,
&end
#
# 108 LEU QQD 137 ILE HA 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1,2233, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1=1756,1757,1758,1760,1761,1762,
&end
#
# 108 LEU QQD 138 ARG H 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,2250, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1=1756,1757,1758,1760,1761,1762,
&end
#
# 108 LEU QQD 141 ASN H 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1,2315, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1756,1757,1758,1760,1761,1762,
&end
#
# 108 LEU QQD 141 ASN HA 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1,2317, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1756,1757,1758,1760,1761,1762,
&end
#
# 108 LEU QQD 141 ASN HD22 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1,2325, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1756,1757,1758,1760,1761,1762,
&end
#
# 109 LYS H 111 LEU QQD 4.82
&rst
ixpk= 0, nxpk= 0, iat=1766, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2=1819,1820,1821,1823,1824,1825,
&end
#
# 110 LYS H 110 LYS QB 3.32
&rst
ixpk= 0, nxpk= 0, iat=1788, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2=1792,1793,
&end
#
# 110 LYS H 110 LYS QG 4.19
&rst
ixpk= 0, nxpk= 0, iat=1788, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1795,1796,
&end
#
# 110 LYS H 111 LEU QQD 3.37
&rst
ixpk= 0, nxpk= 0, iat=1788, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2=1819,1820,1821,1823,1824,1825,
&end
#
# 110 LYS HA 110 LYS QB 2.65
&rst
ixpk= 0, nxpk= 0, iat=1790, -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr2=1792,1793,
&end
#
# 110 LYS HA 110 LYS QG 3.47
&rst
ixpk= 0, nxpk= 0, iat=1790, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=1795,1796,
&end
#
# 110 LYS QB 110 LYS QE 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1=1792,1793,
igr2=1801,1802,
&end
#
# 110 LYS QB 111 LEU H 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1810, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1792,1793,
&end
#
# 110 LYS QB 111 LEU QQD 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1=1792,1793,
igr2=1819,1820,1821,1823,1824,1825,
&end
#
# 110 LYS QG 110 LYS QE 3.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1=1795,1796,
igr2=1801,1802,
&end
#
# 110 LYS QG 111 LEU H 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1810, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1795,1796,
&end
#
# 111 LEU H 111 LEU QQD 2.84
&rst
ixpk= 0, nxpk= 0, iat=1810, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=1819,1820,1821,1823,1824,1825,
&end
#
# 111 LEU HA 111 LEU QQD 3.15
&rst
ixpk= 0, nxpk= 0, iat=1812, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=1819,1820,1821,1823,1824,1825,
&end
#
# 111 LEU QB 112 ARG H 3.04
&rst
ixpk= 0, nxpk= 0, iat= -1,1829, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr1=1814,1815,
&end
#
# 111 LEU QB 115 GLU H 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1891, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1814,1815,
&end
#
# 111 LEU QB 115 GLU HB2 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1,1895, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1=1814,1815,
&end
#
# 111 LEU QB 115 GLU HG3 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1899, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1814,1815,
&end
#
# 111 LEU QB 116 LEU H 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1906, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1814,1815,
&end
#
# 111 LEU QQD 115 GLU H 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1891, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1=1819,1820,1821,1823,1824,1825,
&end
#
# 111 LEU QQD 115 GLU HA 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1893, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1=1819,1820,1821,1823,1824,1825,
&end
#
# 111 LEU QQD 115 GLU HB2 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1,1895, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1=1819,1820,1821,1823,1824,1825,
&end
#
# 111 LEU QQD 115 GLU HB3 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1896, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1819,1820,1821,1823,1824,1825,
&end
#
# 111 LEU QQD 115 GLU HG3 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1899, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=1819,1820,1821,1823,1824,1825,
&end
#
# 112 ARG HB3 114 LYS QG 4.12
&rst
ixpk= 0, nxpk= 0, iat=1834, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1876,1877,
&end
#
# 112 ARG QG 114 LYS QG 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1836,1837,
igr2=1876,1877,
&end
#
# 113 VAL HA 113 VAL QQG 2.72
&rst
ixpk= 0, nxpk= 0, iat=1855, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2=1859,1860,1861,1863,1864,1865,
&end
#
# 113 VAL HA 116 LEU QQD 2.92
&rst
ixpk= 0, nxpk= 0, iat=1855, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=1915,1916,1917,1919,1920,1921,
&end
#
# 113 VAL QQG 114 LYS H 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1869, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=1859,1860,1861,1863,1864,1865,
&end
#
# 113 VAL QQG 114 LYS HA 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1871, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1859,1860,1861,1863,1864,1865,
&end
#
# 113 VAL QQG 114 LYS QG 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1859,1860,1861,1863,1864,1865,
igr2=1876,1877,
&end
#
# 113 VAL QQG 115 GLU H 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1891, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1=1859,1860,1861,1863,1864,1865,
&end
#
# 113 VAL QQG 116 LEU H 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1906, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1=1859,1860,1861,1863,1864,1865,
&end
#
# 113 VAL QQG 117 LYS H 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1925, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1=1859,1860,1861,1863,1864,1865,
&end
#
# 113 VAL QQG 117 LYS HA 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1,1927, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1=1859,1860,1861,1863,1864,1865,
&end
#
# 113 VAL QQG 117 LYS HB2 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1929, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1859,1860,1861,1863,1864,1865,
&end
#
# 113 VAL QQG 132 GLU H 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1,2150, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1=1859,1860,1861,1863,1864,1865,
&end
#
# 113 VAL QQG 132 GLU HA 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1,2152, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1859,1860,1861,1863,1864,1865,
&end
#
# 113 VAL QQG 132 GLU HB2 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,2154, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1=1859,1860,1861,1863,1864,1865,
&end
#
# 113 VAL QQG 133 LYS HA 3.09
&rst
ixpk= 0, nxpk= 0, iat= -1,2167, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1=1859,1860,1861,1863,1864,1865,
&end
#
# 113 VAL QQG 136 TYR QD 2.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1859,1860,1861,1863,1864,1865,
igr2=2218,2227,
&end
#
# 113 VAL QQG 136 TYR QE 2.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1859,1860,1861,1863,1864,1865,
igr2=2220,2225,
&end
#
# 114 LYS H 117 LYS QD 4.77
&rst
ixpk= 0, nxpk= 0, iat=1869, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2=1935,1936,
&end
#
# 114 LYS HA 114 LYS QG 3.08
&rst
ixpk= 0, nxpk= 0, iat=1871, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2=1876,1877,
&end
#
# 114 LYS HA 117 LYS QD 4.89
&rst
ixpk= 0, nxpk= 0, iat=1871, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1935,1936,
&end
#
# 114 LYS QG 114 LYS QE 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1=1876,1877,
igr2=1882,1883,
&end
#
# 114 LYS QG 115 GLU H 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1891, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1876,1877,
&end
#
# 114 LYS QG 115 GLU HG2 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1898, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1876,1877,
&end
#
# 115 GLU H 116 LEU QQD 4.30
&rst
ixpk= 0, nxpk= 0, iat=1891, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1915,1916,1917,1919,1920,1921,
&end
#
# 115 GLU HB2 116 LEU QQD 4.38
&rst
ixpk= 0, nxpk= 0, iat=1895, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=1915,1916,1917,1919,1920,1921,
&end
#
# 116 LEU H 116 LEU QQD 3.02
&rst
ixpk= 0, nxpk= 0, iat=1906, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1915,1916,1917,1919,1920,1921,
&end
#
# 116 LEU HA 116 LEU QQD 4.14
&rst
ixpk= 0, nxpk= 0, iat=1908, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1915,1916,1917,1919,1920,1921,
&end
#
# 116 LEU HA 119 ILE QG1 4.62
&rst
ixpk= 0, nxpk= 0, iat=1908, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1979,1980,
&end
#
# 116 LEU QQD 117 LYS H 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1925, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1915,1916,1917,1919,1920,1921,
&end
#
# 116 LEU QQD 133 LYS QG 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1=1915,1916,1917,1919,1920,1921,
igr2=2172,2173,
&end
#
# 116 LEU QQD 133 LYS QD 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1=1915,1916,1917,1919,1920,1921,
igr2=2175,2176,
&end
#
# 116 LEU QQD 133 LYS QE 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1=1915,1916,1917,1919,1920,1921,
igr2=2178,2179,
&end
#
# 116 LEU QQD 136 TYR HB2 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1,2214, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1915,1916,1917,1919,1920,1921,
&end
#
# 116 LEU QQD 136 TYR HB3 3.49
&rst
ixpk= 0, nxpk= 0, iat= -1,2215, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1=1915,1916,1917,1919,1920,1921,
&end
#
# 116 LEU QQD 136 TYR QD 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1=1915,1916,1917,1919,1920,1921,
igr2=2218,2227,
&end
#
# 116 LEU QQD 137 ILE H 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1,2231, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1=1915,1916,1917,1919,1920,1921,
&end
#
# 116 LEU QQD 137 ILE HA 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1,2233, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1915,1916,1917,1919,1920,1921,
&end
#
# 117 LYS HA 117 LYS QD 4.56
&rst
ixpk= 0, nxpk= 0, iat=1927, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1935,1936,
&end
#
# 117 LYS HA 121 ASP QB 5.34
&rst
ixpk= 0, nxpk= 0, iat=1927, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=2011,2012,
&end
#
# 117 LYS HG2 117 LYS QD 2.64
&rst
ixpk= 0, nxpk= 0, iat=1932, -1, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,
igr2=1935,1936,
&end
#
# 117 LYS QD 118 LYS H 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1947, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1935,1936,
&end
#
# 117 LYS QD 136 TYR QE 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1935,1936,
igr2=2220,2225,
&end
#
# 118 LYS H 118 LYS QB 2.49
&rst
ixpk= 0, nxpk= 0, iat=1947, -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
igr2=1951,1952,
&end
#
# 118 LYS H 119 ILE QG1 4.00
&rst
ixpk= 0, nxpk= 0, iat=1947, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1979,1980,
&end
#
# 118 LYS H 121 ASP QB 4.72
&rst
ixpk= 0, nxpk= 0, iat=1947, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=2011,2012,
&end
#
# 118 LYS HA 121 ASP QB 3.16
&rst
ixpk= 0, nxpk= 0, iat=1949, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2=2011,2012,
&end
#
# 118 LYS QB 118 LYS QE 2.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr1=1951,1952,
igr2=1960,1961,
&end
#
# 118 LYS QG 121 ASP QB 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=1954,1955,
igr2=2011,2012,
&end
#
# 118 LYS QD 122 ASP H 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1,2019, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1957,1958,
&end
#
# 119 ILE H 119 ILE QG1 2.91
&rst
ixpk= 0, nxpk= 0, iat=1969, -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
igr2=1979,1980,
&end
#
# 119 ILE HA 119 ILE QG1 3.27
&rst
ixpk= 0, nxpk= 0, iat=1971, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2=1979,1980,
&end
#
# 119 ILE QG2 119 ILE QG1 3.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1=1975,1976,1977,
igr2=1979,1980,
&end
#
# 119 ILE QG1 120 LEU H 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1988, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=1979,1980,
&end
#
# 119 ILE QG1 121 ASP H 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1,2007, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1=1979,1980,
&end
#
# 120 LEU H 121 ASP QB 4.65
&rst
ixpk= 0, nxpk= 0, iat=1988, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=2011,2012,
&end
#
# 120 LEU H 125 GLU QG 5.34
&rst
ixpk= 0, nxpk= 0, iat=1988, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=2069,2070,
&end
#
# 120 LEU H 139 LYS QE 5.30
&rst
ixpk= 0, nxpk= 0, iat=1988, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr2=2287,2288,
&end
#
# 120 LEU HA 125 GLU QG 3.98
&rst
ixpk= 0, nxpk= 0, iat=1990, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=2069,2070,
&end
#
# 120 LEU HG 139 LYS QE 4.22
&rst
ixpk= 0, nxpk= 0, iat=1995, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=2287,2288,
&end
#
# 120 LEU QD1 139 LYS QE 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1=1997,1998,1999,
igr2=2287,2288,
&end
#
# 121 ASP H 121 ASP QB 2.88
&rst
ixpk= 0, nxpk= 0, iat=2007, -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
igr2=2011,2012,
&end
#
# 121 ASP QB 122 ASP H 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1,2019, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1=2011,2012,
&end
#
# 123 TRP H 125 GLU QG 5.34
&rst
ixpk= 0, nxpk= 0, iat=2031, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=2069,2070,
&end
#
# 123 TRP HB2 125 GLU QG 4.65
&rst
ixpk= 0, nxpk= 0, iat=2035, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=2069,2070,
&end
#
# 123 TRP HD1 150 LYS QG 4.63
&rst
ixpk= 0, nxpk= 0, iat=2039, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=2468,2469,
&end
#
# 123 TRP HE3 125 GLU QG 4.10
&rst
ixpk= 0, nxpk= 0, iat=2050, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=2069,2070,
&end
#
# 123 TRP HE3 143 LEU QQD 3.48
&rst
ixpk= 0, nxpk= 0, iat=2050, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2=2353,2354,2355,2357,2358,2359,
&end
#
# 123 TRP HZ2 144 MET QG 4.70
&rst
ixpk= 0, nxpk= 0, iat=2044, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=2370,2371,
&end
#
# 123 TRP HH2 144 MET QG 5.02
&rst
ixpk= 0, nxpk= 0, iat=2046, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=2370,2371,
&end
#
# 125 GLU H 125 GLU QG 3.68
&rst
ixpk= 0, nxpk= 0, iat=2062, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=2069,2070,
&end
#
# 125 GLU HA 125 GLU QG 3.56
&rst
ixpk= 0, nxpk= 0, iat=2064, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=2069,2070,
&end
#
# 125 GLU HB3 143 LEU QQD 5.41
&rst
ixpk= 0, nxpk= 0, iat=2067, -1, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79,
igr2=2353,2354,2355,2357,2358,2359,
&end
#
# 125 GLU QG 143 LEU QQD 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2069,2070,
igr2=2353,2354,2355,2357,2358,2359,
&end
#
# 125 GLU QG 147 TYR QE 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=2069,2070,
igr2=2426,2431,
&end
#
# 126 THR H 139 LYS QE 5.23
&rst
ixpk= 0, nxpk= 0, iat=2077, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=2287,2288,
&end
#
# 135 ASP QB 138 ARG QG 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=2202,2203,
igr2=2257,2258,
&end
#
# 136 TYR H 138 ARG QG 4.35
&rst
ixpk= 0, nxpk= 0, iat=2210, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=2257,2258,
&end
#
# 138 ARG H 138 ARG QG 3.49
&rst
ixpk= 0, nxpk= 0, iat=2250, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=2257,2258,
&end
#
# 138 ARG HA 138 ARG QG 3.52
&rst
ixpk= 0, nxpk= 0, iat=2252, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=2257,2258,
&end
#
# 138 ARG QG 138 ARG QD 2.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,
igr1=2257,2258,
igr2=2260,2261,
&end
#
# 138 ARG QG 139 LYS H 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1,2274, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr1=2257,2258,
&end
#
# 138 ARG QG 141 ASN H 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,2315, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=2257,2258,
&end
#
# 139 LYS H 139 LYS QB 2.63
&rst
ixpk= 0, nxpk= 0, iat=2274, -1, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,
igr2=2278,2279,
&end
#
# 139 LYS H 142 GLU QG 5.17
&rst
ixpk= 0, nxpk= 0, iat=2274, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=2336,2337,
&end
#
# 139 LYS HA 139 LYS QB 2.58
&rst
ixpk= 0, nxpk= 0, iat=2276, -1, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,
igr2=2278,2279,
&end
#
# 139 LYS HA 142 GLU QG 3.53
&rst
ixpk= 0, nxpk= 0, iat=2276, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=2336,2337,
&end
#
# 139 LYS QB 140 ILE H 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1,2296, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=2278,2279,
&end
#
# 139 LYS QG 139 LYS QE 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1=2281,2282,
igr2=2287,2288,
&end
#
# 140 ILE QG2 144 MET QG 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=2302,2303,2304,
igr2=2370,2371,
&end
#
# 141 ASN H 142 GLU QG 4.85
&rst
ixpk= 0, nxpk= 0, iat=2315, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=2336,2337,
&end
#
# 141 ASN HA 144 MET QG 4.10
&rst
ixpk= 0, nxpk= 0, iat=2317, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=2370,2371,
&end
#
# 142 GLU H 143 LEU QQD 4.75
&rst
ixpk= 0, nxpk= 0, iat=2329, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2=2353,2354,2355,2357,2358,2359,
&end
#
# 142 GLU HA 142 GLU QG 3.63
&rst
ixpk= 0, nxpk= 0, iat=2331, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=2336,2337,
&end
#
# 143 LEU H 143 LEU QQD 3.13
&rst
ixpk= 0, nxpk= 0, iat=2344, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=2353,2354,2355,2357,2358,2359,
&end
#
# 143 LEU HA 143 LEU QQD 2.79
&rst
ixpk= 0, nxpk= 0, iat=2346, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2=2353,2354,2355,2357,2358,2359,
&end
#
# 143 LEU HB3 143 LEU QQD 3.12
&rst
ixpk= 0, nxpk= 0, iat=2349, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2=2353,2354,2355,2357,2358,2359,
&end
#
# 143 LEU QQD 144 MET H 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,2363, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=2353,2354,2355,2357,2358,2359,
&end
#
# 143 LEU QQD 145 PRO HD2 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1,2381, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1=2353,2354,2355,2357,2358,2359,
&end
#
# 143 LEU QQD 146 LYS HG2 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1,2401, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr1=2353,2354,2355,2357,2358,2359,
&end
#
# 143 LEU QQD 146 LYS QE 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=2353,2354,2355,2357,2358,2359,
igr2=2407,2408,
&end
#
# 143 LEU QQD 147 TYR QD 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1=2353,2354,2355,2357,2358,2359,
igr2=2424,2433,
&end
#
# 143 LEU QQD 147 TYR QE 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=2353,2354,2355,2357,2358,2359,
igr2=2426,2431,
&end
#
# 144 MET H 144 MET QG 4.11
&rst
ixpk= 0, nxpk= 0, iat=2363, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=2370,2371,
&end
#
# 144 MET HA 144 MET QG 3.37
&rst
ixpk= 0, nxpk= 0, iat=2365, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=2370,2371,
&end
#
# 144 MET QG 144 MET QE 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1=2370,2371,
igr2=2374,2375,2376,
&end
#
# 144 MET QG 145 PRO HA 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1,2390, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=2370,2371,
&end
#
# 144 MET QG 145 PRO HB3 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,2388, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=2370,2371,
&end
#
# 144 MET QG 145 PRO HD2 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1,2381, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=2370,2371,
&end
#
# 144 MET QG 145 PRO HD3 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1,2382, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1=2370,2371,
&end
#
# 144 MET QG 147 TYR H 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,2416, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=2370,2371,
&end
#
# 144 MET QG 148 ALA H 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1,2437, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=2370,2371,
&end
#
# 147 TYR HA 150 LYS QG 3.87
&rst
ixpk= 0, nxpk= 0, iat=2418, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=2468,2469,
&end
#
# 147 TYR HB2 150 LYS QG 5.34
&rst
ixpk= 0, nxpk= 0, iat=2420, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=2468,2469,
&end
#
# 147 TYR HB3 150 LYS QG 4.59
&rst
ixpk= 0, nxpk= 0, iat=2421, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=2468,2469,
&end
#
# 150 LYS H 150 LYS QG 4.17
&rst
ixpk= 0, nxpk= 0, iat=2461, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=2468,2469,
&end
#
# 155 ARG H 155 ARG QB 3.44
&rst
ixpk= 0, nxpk= 0, iat=2524, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2=2528,2529,
&end
#
# 155 ARG H 155 ARG QG 4.32
&rst
ixpk= 0, nxpk= 0, iat=2524, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=2531,2532,
&end
#
# 155 ARG HA 155 ARG QG 3.56
&rst
ixpk= 0, nxpk= 0, iat=2526, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=2531,2532,
&end
#
# 155 ARG HA 155 ARG QD 3.75
&rst
ixpk= 0, nxpk= 0, iat=2526, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2=2534,2535,
&end
#
# 155 ARG QB 155 ARG QD 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=2528,2529,
igr2=2534,2535,
&end
#
# 155 ARG QB 158 LEU H 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1,2574, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=2528,2529,
&end
#
# 155 ARG QG 158 LEU H 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1,2574, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1=2531,2532,
&end
#
# 157 ASP HA 158 LEU QQD 4.42
&rst
ixpk= 0, nxpk= 0, iat=2564, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=2583,2584,2585,2587,2588,2589,
&end
#
# 157 ASP QB 158 LEU QQD 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr1=2566,2567,
igr2=2583,2584,2585,2587,2588,2589,
&end
#
# 158 LEU H 158 LEU QQD 3.96
&rst
ixpk= 0, nxpk= 0, iat=2574, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=2583,2584,2585,2587,2588,2589,
&end
#
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