NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
576837 | 2mel | 19524 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
# # 25 GLY HN 25 GLY HA3 2.83 &rst ixpk= 0, nxpk= 0, iat= 351, 354, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, rk2=20.0, rk3=20.0, ir6=1, ialtd=0, &end # # 3 ALA HN 3 ALA QB 4.03 &rst ixpk= 0, nxpk= 0, iat= 22, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, igr2= 26, 27, 28, &end # # 24 ILE HN 24 ILE HB 3.20 &rst ixpk= 0, nxpk= 0, iat= 332, 336, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end # # 24 ILE HN 24 ILE QG2 4.09 &rst ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, igr2= 338, 339, 340, &end # # 13 SER HN 13 SER QB 3.05 &rst ixpk= 0, nxpk= 0, iat= 173, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, igr2= 177, 178, &end # # 29 LYS HN 29 LYS HB2 3.67 &rst ixpk= 0, nxpk= 0, iat= 398, 402, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end # # 22 LYS HN 22 LYS QG 4.18 &rst ixpk= 0, nxpk= 0, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, igr2= 307, 308, &end # # 15 ARG HN 15 ARG HB3 3.18 &rst ixpk= 0, nxpk= 0, iat= 194, 199, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end # # 15 ARG HN 15 ARG QG 3.99 &rst ixpk= 0, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, igr2= 201, 202, &end # # 15 ARG HA 15 ARG HE 5.50 &rst ixpk= 0, nxpk= 0, iat= 196, 207, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 26 GLU HN 26 GLU HG3 4.16 &rst ixpk= 0, nxpk= 0, iat= 358, 366, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end # # 26 GLU HN 26 GLU HG2 4.16 &rst ixpk= 0, nxpk= 0, iat= 358, 365, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end # # 26 GLU HN 26 GLU QB 3.39 &rst ixpk= 0, nxpk= 0, iat= 358, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, igr2= 362, 363, &end # # 7 LEU HB3 8 ARG HA 4.51 &rst ixpk= 0, nxpk= 0, iat= 81, 97, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end # # 14 CYX HA 16 SER HN 4.16 &rst ixpk= 0, nxpk= 0, iat= 186, 218, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end # # 27 GLU HN 27 GLU HG3 4.97 &rst ixpk= 0, nxpk= 0, iat= 373, 381, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end # # 27 GLU HN 27 GLU HB3 3.66 &rst ixpk= 0, nxpk= 0, iat= 373, 378, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end # # 16 SER HN 16 SER QB 3.07 &rst ixpk= 0, nxpk= 0, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, igr2= 222, 223, &end # # 19 LEU QB 19 LEU HG 2.40 &rst ixpk= 0, nxpk= 0, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19, igr1= 259, 260, &end # # 11 GLU HN 11 GLU HB2 3.04 &rst ixpk= 0, nxpk= 0, iat= 139, 143, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end # # 11 GLU HN 11 GLU HB3 3.56 &rst ixpk= 0, nxpk= 0, iat= 139, 144, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end # # 11 GLU HA 11 GLU HG2 3.59 &rst ixpk= 0, nxpk= 0, iat= 141, 146, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end # # 11 GLU HA 11 GLU HG3 3.59 &rst ixpk= 0, nxpk= 0, iat= 141, 147, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end # # 12 LEU HN 12 LEU HB2 3.70 &rst ixpk= 0, nxpk= 0, iat= 154, 158, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 12 LEU HN 12 LEU QQD 4.07 &rst ixpk= 0, nxpk= 0, iat= 154, 160, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end # # 9 ALA HA 12 LEU HG 4.10 &rst ixpk= 0, nxpk= 0, iat= 121, 161, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 22 LYS HN 22 LYS QB 3.71 &rst ixpk= 0, nxpk= 0, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, igr2= 304, 305, &end # # 23 CYX HN 24 ILE HN 4.53 &rst ixpk= 0, nxpk= 0, iat= 322, 332, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end # # 23 CYX HA 24 ILE HN 2.68 &rst ixpk= 0, nxpk= 0, iat= 324, 332, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18, &end # # 23 CYX HB2 24 ILE HN 4.50 &rst ixpk= 0, nxpk= 0, iat= 326, 332, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 23 CYX HB3 24 ILE HN 4.64 &rst ixpk= 0, nxpk= 0, iat= 327, 332, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end # # 24 ILE HB 25 GLY HN 4.84 &rst ixpk= 0, nxpk= 0, iat= 336, 351, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end # # 24 ILE HG12 25 GLY HN 5.50 &rst ixpk= 0, nxpk= 0, iat= 342, 351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 24 ILE HG13 25 GLY HN 5.50 &rst ixpk= 0, nxpk= 0, iat= 343, 351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 24 ILE QG2 25 GLY HN 3.73 &rst ixpk= 0, nxpk= 0, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, igr1= 338, 339, 340, &end # # 24 ILE QD1 25 GLY HN 5.08 &rst ixpk= 0, nxpk= 0, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, igr1= 345, 346, 347, &end # # 25 GLY HA2 26 GLU HN 2.95 &rst ixpk= 0, nxpk= 0, iat= 353, 358, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end # # 25 GLY HA3 26 GLU HN 3.56 &rst ixpk= 0, nxpk= 0, iat= 354, 358, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end # # 27 GLU HG3 28 CYX HN 5.03 &rst ixpk= 0, nxpk= 0, iat= 381, 388, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end # # 27 GLU HB3 28 CYX HN 4.67 &rst ixpk= 0, nxpk= 0, iat= 378, 388, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end # # 23 CYX HN 23 CYX HB3 3.15 &rst ixpk= 0, nxpk= 0, iat= 322, 327, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end # # 22 LYS HN 23 CYX HN 4.69 &rst ixpk= 0, nxpk= 0, iat= 300, 322, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end # # 22 LYS HA 23 CYX HN 2.74 &rst ixpk= 0, nxpk= 0, iat= 302, 322, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24, &end # # 22 LYS QB 23 CYX HN 3.80 &rst ixpk= 0, nxpk= 0, iat= -1, 322, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, igr1= 304, 305, &end # # 22 LYS QG 23 CYX HN 4.32 &rst ixpk= 0, nxpk= 0, iat= -1, 322, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr1= 307, 308, &end # # 21 GLY HA2 22 LYS HN 2.76 &rst ixpk= 0, nxpk= 0, iat= 295, 300, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26, &end # # 7 LEU HN 8 ARG HN 3.53 &rst ixpk= 0, nxpk= 0, iat= 76, 95, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end # # 12 LEU HN 13 SER HN 3.29 &rst ixpk= 0, nxpk= 0, iat= 154, 173, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end # # 12 LEU HG 13 SER HN 4.27 &rst ixpk= 0, nxpk= 0, iat= 161, 173, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end # # 12 LEU QQD 13 SER HN 4.98 &rst ixpk= 0, nxpk= 0, iat= 160, 173, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end # # 12 LEU HN 12 LEU HB3 3.70 &rst ixpk= 0, nxpk= 0, iat= 154, 159, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 12 LEU HB2 12 LEU QQD 3.11 &rst ixpk= 0, nxpk= 0, iat= 158, 160, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end # # 11 GLU HN 12 LEU HN 3.41 &rst ixpk= 0, nxpk= 0, iat= 139, 154, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 11 GLU HB2 12 LEU HN 3.43 &rst ixpk= 0, nxpk= 0, iat= 143, 154, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end # # 11 GLU HB3 12 LEU HN 3.71 &rst ixpk= 0, nxpk= 0, iat= 144, 154, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end # # 15 ARG HB3 16 SER HN 3.40 &rst ixpk= 0, nxpk= 0, iat= 199, 218, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end # # 15 ARG QG 16 SER HN 4.28 &rst ixpk= 0, nxpk= 0, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1= 201, 202, &end # # 17 LEU HN 17 LEU HG 2.98 &rst ixpk= 0, nxpk= 0, iat= 229, 236, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end # # 17 LEU HN 17 LEU QD1 4.15 &rst ixpk= 0, nxpk= 0, iat= 229, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, igr2= 238, 239, 240, &end # # 17 LEU HN 17 LEU QD2 4.01 &rst ixpk= 0, nxpk= 0, iat= 229, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, igr2= 242, 243, 244, &end # # 16 SER HN 17 LEU HN 3.24 &rst ixpk= 0, nxpk= 0, iat= 218, 229, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end # # 17 LEU HN 17 LEU QB 3.08 &rst ixpk= 0, nxpk= 0, iat= 229, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, igr2= 233, 234, &end # # 15 ARG QG 18 GLY HN 4.54 &rst ixpk= 0, nxpk= 0, iat= -1, 248, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, igr1= 201, 202, &end # # 17 LEU QB 18 GLY HN 4.84 &rst ixpk= 0, nxpk= 0, iat= -1, 248, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr1= 233, 234, &end # # 17 LEU HG 18 GLY HN 4.76 &rst ixpk= 0, nxpk= 0, iat= 236, 248, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end # # 19 LEU HN 19 LEU HG 3.17 &rst ixpk= 0, nxpk= 0, iat= 255, 262, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end # # 19 LEU HN 19 LEU QQD 3.75 &rst ixpk= 0, nxpk= 0, iat= 255, 261, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end # # 28 CYX HN 28 CYX HB2 3.13 &rst ixpk= 0, nxpk= 0, iat= 388, 392, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end # # 28 CYX HN 28 CYX HB3 3.13 &rst ixpk= 0, nxpk= 0, iat= 388, 393, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end # # 27 GLU HG2 28 CYX HN 5.03 &rst ixpk= 0, nxpk= 0, iat= 380, 388, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end # # 27 GLU HA 28 CYX HN 2.66 &rst ixpk= 0, nxpk= 0, iat= 375, 388, r1= 1.30, r2= 1.80, r3= 2.66, r4= 3.16, &end # # 29 LYS HN 29 LYS QG 4.40 &rst ixpk= 0, nxpk= 0, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, igr2= 405, 406, &end # # 28 CYX HA 29 LYS HN 2.61 &rst ixpk= 0, nxpk= 0, iat= 390, 398, r1= 1.30, r2= 1.80, r3= 2.61, r4= 3.11, &end # # 28 CYX HN 29 LYS HN 4.54 &rst ixpk= 0, nxpk= 0, iat= 388, 398, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end # # 30 CYX HN 30 CYX HB3 4.03 &rst ixpk= 0, nxpk= 0, iat= 420, 425, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end # # 30 CYX HN 30 CYX HB2 3.23 &rst ixpk= 0, nxpk= 0, iat= 420, 424, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end # # 29 LYS HN 29 LYS HB3 3.67 &rst ixpk= 0, nxpk= 0, iat= 398, 403, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end # # 29 LYS HB3 30 CYX HN 4.12 &rst ixpk= 0, nxpk= 0, iat= 403, 420, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end # # 29 LYS HB2 30 CYX HN 4.12 &rst ixpk= 0, nxpk= 0, iat= 402, 420, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end # # 29 LYS HA 30 CYX HN 2.65 &rst ixpk= 0, nxpk= 0, iat= 400, 420, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15, &end # # 31 VAL HN 31 VAL QG2 3.68 &rst ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, igr2= 440, 441, 442, &end # # 31 VAL HN 31 VAL QG1 3.17 &rst ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, igr2= 436, 437, 438, &end # # 30 CYX HB2 31 VAL HN 4.75 &rst ixpk= 0, nxpk= 0, iat= 424, 430, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end # # 30 CYX HB3 31 VAL HN 3.61 &rst ixpk= 0, nxpk= 0, iat= 425, 430, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end # # 30 CYX HA 31 VAL HN 2.71 &rst ixpk= 0, nxpk= 0, iat= 422, 430, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21, &end # # 29 LYS HN 30 CYX HN 4.75 &rst ixpk= 0, nxpk= 0, iat= 398, 420, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end # # 19 LEU QQD 32 PRO HD3 4.33 &rst ixpk= 0, nxpk= 0, iat= 261, 448, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end # # 31 VAL QG1 32 PRO HD3 4.63 &rst ixpk= 0, nxpk= 0, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1= 436, 437, 438, &end # # 31 VAL HB 32 PRO HD3 3.44 &rst ixpk= 0, nxpk= 0, iat= 434, 448, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end # # 31 VAL HB 32 PRO HD2 2.88 &rst ixpk= 0, nxpk= 0, iat= 434, 447, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end # # 33 TYR HN 33 TYR HB3 3.84 &rst ixpk= 0, nxpk= 0, iat= 460, 465, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end # # 33 TYR HA 33 TYR QD 3.72 &rst ixpk= 0, nxpk= 0, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, igr2= 468, 477, &end # # 33 TYR HN 33 TYR HB2 3.20 &rst ixpk= 0, nxpk= 0, iat= 460, 464, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end # # 20 LEU HN 20 LEU QB 2.74 &rst ixpk= 0, nxpk= 0, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, igr2= 278, 279, &end # # 20 LEU HN 20 LEU HG 4.81 &rst ixpk= 0, nxpk= 0, iat= 274, 281, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end # # 20 LEU QB 20 LEU QD1 2.80 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1= 278, 279, igr2= 283, 284, 285, &end # # 20 LEU QB 20 LEU QD2 2.80 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1= 278, 279, igr2= 287, 288, 289, &end # # 19 LEU QB 19 LEU QQD 2.83 &rst ixpk= 0, nxpk= 0, iat= -1, 261, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, igr1= 259, 260, &end # # 19 LEU HA 20 LEU HN 3.00 &rst ixpk= 0, nxpk= 0, iat= 257, 274, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end # # 19 LEU QB 20 LEU HN 3.57 &rst ixpk= 0, nxpk= 0, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, igr1= 259, 260, &end # # 19 LEU HN 20 LEU HN 4.79 &rst ixpk= 0, nxpk= 0, iat= 255, 274, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end # # 18 GLY HN 19 LEU HN 3.09 &rst ixpk= 0, nxpk= 0, iat= 248, 255, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end # # 11 GLU HN 11 GLU HG2 3.54 &rst ixpk= 0, nxpk= 0, iat= 139, 146, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 10 CYX HN 11 GLU HN 3.14 &rst ixpk= 0, nxpk= 0, iat= 129, 139, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end # # 10 CYX HB2 11 GLU HN 3.69 &rst ixpk= 0, nxpk= 0, iat= 133, 139, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end # # 10 CYX HN 10 CYX HB2 3.02 &rst ixpk= 0, nxpk= 0, iat= 129, 133, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end # # 10 CYX HB3 11 GLU HN 3.47 &rst ixpk= 0, nxpk= 0, iat= 134, 139, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end # # 8 ARG QG 9 ALA HN 4.59 &rst ixpk= 0, nxpk= 0, iat= -1, 119, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, igr1= 102, 103, &end # # 8 ARG QG 10 CYX HN 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 129, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 102, 103, &end # # 8 ARG HA 8 ARG HE 5.50 &rst ixpk= 0, nxpk= 0, iat= 97, 108, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 7 LEU HB3 8 ARG HN 3.41 &rst ixpk= 0, nxpk= 0, iat= 81, 95, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 7 LEU HN 7 LEU HB3 3.12 &rst ixpk= 0, nxpk= 0, iat= 76, 81, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end # # 7 LEU HN 7 LEU HB2 3.10 &rst ixpk= 0, nxpk= 0, iat= 76, 80, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end # # 7 LEU HN 7 LEU QQD 3.94 &rst ixpk= 0, nxpk= 0, iat= 76, 82, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end # # 7 LEU HA 7 LEU HG 4.01 &rst ixpk= 0, nxpk= 0, iat= 78, 83, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end # # 7 LEU HB2 7 LEU QQD 2.87 &rst ixpk= 0, nxpk= 0, iat= 80, 82, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end # # 7 LEU HB2 8 ARG HN 3.92 &rst ixpk= 0, nxpk= 0, iat= 80, 95, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end # # 7 LEU HG 8 ARG HN 4.80 &rst ixpk= 0, nxpk= 0, iat= 83, 95, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 8 ARG HN 9 ALA QB 5.06 &rst ixpk= 0, nxpk= 0, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, igr2= 123, 124, 125, &end # # 7 LEU QQD 8 ARG HN 4.19 &rst ixpk= 0, nxpk= 0, iat= 82, 95, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end # # 6 ASN HA 7 LEU HN 2.79 &rst ixpk= 0, nxpk= 0, iat= 64, 76, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29, &end # # 6 ASN HB3 10 CYX HN 3.94 &rst ixpk= 0, nxpk= 0, iat= 67, 129, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end # # 6 ASN HN 6 ASN HB2 3.31 &rst ixpk= 0, nxpk= 0, iat= 62, 66, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end # # 5 CYX HN 5 CYX HB2 3.62 &rst ixpk= 0, nxpk= 0, iat= 52, 56, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end # # 5 CYX HN 5 CYX HB3 3.62 &rst ixpk= 0, nxpk= 0, iat= 52, 57, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end # # 5 CYX HA 6 ASN HN 2.67 &rst ixpk= 0, nxpk= 0, iat= 54, 62, r1= 1.30, r2= 1.80, r3= 2.67, r4= 3.17, &end # # 15 ARG HB2 15 ARG HE 4.75 &rst ixpk= 0, nxpk= 0, iat= 198, 207, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end # # 15 ARG HB2 15 ARG QD 4.19 &rst ixpk= 0, nxpk= 0, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, igr2= 204, 205, &end # # 15 ARG HB3 15 ARG QD 3.82 &rst ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, igr2= 204, 205, &end # # 15 ARG HB3 15 ARG QG 2.59 &rst ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, igr2= 201, 202, &end # # 4 PHE HA 5 CYX HN 2.82 &rst ixpk= 0, nxpk= 0, iat= 34, 52, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, &end # # 4 PHE HB2 5 CYX HN 4.22 &rst ixpk= 0, nxpk= 0, iat= 36, 52, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end # # 20 LEU HG 21 GLY HN 4.90 &rst ixpk= 0, nxpk= 0, iat= 281, 293, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 20 LEU QB 21 GLY HN 4.00 &rst ixpk= 0, nxpk= 0, iat= -1, 293, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1= 278, 279, &end # # 20 LEU HA 21 GLY HN 2.79 &rst ixpk= 0, nxpk= 0, iat= 276, 293, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29, &end # # 3 ALA QB 4 PHE HN 4.23 &rst ixpk= 0, nxpk= 0, iat= -1, 32, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr1= 26, 27, 28, &end # # 3 ALA HA 4 PHE HN 3.00 &rst ixpk= 0, nxpk= 0, iat= 24, 32, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end # # 3 ALA HN 4 PHE HN 4.40 &rst ixpk= 0, nxpk= 0, iat= 22, 32, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 2 SER HN 3 ALA HN 4.50 &rst ixpk= 0, nxpk= 0, iat= 11, 22, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 24 ILE HB 24 ILE QD1 3.32 &rst ixpk= 0, nxpk= 0, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, igr2= 345, 346, 347, &end # # 19 LEU HN 19 LEU QB 3.19 &rst ixpk= 0, nxpk= 0, iat= 255, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, igr2= 259, 260, &end # # 17 LEU QB 19 LEU HN 3.77 &rst ixpk= 0, nxpk= 0, iat= -1, 255, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, igr1= 233, 234, &end # # 22 LYS HN 22 LYS QE 5.50 &rst ixpk= 0, nxpk= 0, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 313, 314, &end # # 7 LEU QQD 22 LYS HN 5.38 &rst ixpk= 0, nxpk= 0, iat= 82, 300, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end # # 22 LYS HN 31 VAL QG2 4.90 &rst ixpk= 0, nxpk= 0, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr2= 440, 441, 442, &end # # 22 LYS HN 31 VAL QG1 5.50 &rst ixpk= 0, nxpk= 0, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 436, 437, 438, &end # # 11 GLU HN 21 GLY HA2 5.17 &rst ixpk= 0, nxpk= 0, iat= 139, 295, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end # # 24 ILE HN 27 GLU HN 3.58 &rst ixpk= 0, nxpk= 0, iat= 332, 373, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end # # 20 LEU HN 31 VAL HN 3.65 &rst ixpk= 0, nxpk= 0, iat= 274, 430, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end # # 25 GLY HN 26 GLU HN 3.44 &rst ixpk= 0, nxpk= 0, iat= 351, 358, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end # # 24 ILE HN 29 LYS HN 4.30 &rst ixpk= 0, nxpk= 0, iat= 332, 398, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end # # 24 ILE HA 26 GLU HN 4.91 &rst ixpk= 0, nxpk= 0, iat= 334, 358, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end # # 23 CYX HA 29 LYS HN 3.79 &rst ixpk= 0, nxpk= 0, iat= 324, 398, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end # # 24 ILE HN 28 CYX HA 4.03 &rst ixpk= 0, nxpk= 0, iat= 332, 390, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end # # 22 LYS HN 30 CYX HA 3.89 &rst ixpk= 0, nxpk= 0, iat= 300, 422, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end # # 19 LEU QB 31 VAL HN 4.22 &rst ixpk= 0, nxpk= 0, iat= -1, 430, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, igr1= 259, 260, &end # # 20 LEU HN 30 CYX HB2 5.40 &rst ixpk= 0, nxpk= 0, iat= 274, 424, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 10 CYX HB3 12 LEU HN 5.29 &rst ixpk= 0, nxpk= 0, iat= 134, 154, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end # # 14 CYX QB 21 GLY HN 3.76 &rst ixpk= 0, nxpk= 0, iat= -1, 293, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, igr1= 188, 189, &end # # 32 PRO HB2 33 TYR HN 3.67 &rst ixpk= 0, nxpk= 0, iat= 453, 460, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end # # 11 GLU HB3 21 GLY HN 4.97 &rst ixpk= 0, nxpk= 0, iat= 144, 293, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end # # 20 LEU HN 30 CYX HB3 4.51 &rst ixpk= 0, nxpk= 0, iat= 274, 425, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end # # 11 GLU HA 21 GLY HN 3.42 &rst ixpk= 0, nxpk= 0, iat= 141, 293, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end # # 15 ARG HA 18 GLY HN 3.76 &rst ixpk= 0, nxpk= 0, iat= 196, 248, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end # # 10 CYX HA 14 CYX HN 4.29 &rst ixpk= 0, nxpk= 0, iat= 131, 184, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end # # 20 LEU HN 30 CYX HA 4.73 &rst ixpk= 0, nxpk= 0, iat= 274, 422, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end # # 21 GLY HN 30 CYX HA 5.49 &rst ixpk= 0, nxpk= 0, iat= 293, 422, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end # # 10 CYX HN 12 LEU HN 4.45 &rst ixpk= 0, nxpk= 0, iat= 129, 154, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end # # 13 SER HN 14 CYX HN 3.33 &rst ixpk= 0, nxpk= 0, iat= 173, 184, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end # # 30 CYX HN 31 VAL QG2 5.50 &rst ixpk= 0, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 440, 441, 442, &end # # 7 LEU QQD 10 CYX HN 5.01 &rst ixpk= 0, nxpk= 0, iat= 82, 129, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end # # 20 LEU QD1 33 TYR QD 4.83 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01, igr1= 283, 284, 285, igr2= 468, 477, &end # # 17 LEU HN 19 LEU HG 4.37 &rst ixpk= 0, nxpk= 0, iat= 229, 262, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end # # 20 LEU QB 33 TYR QD 4.86 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62, igr1= 278, 279, igr2= 468, 477, &end # # 14 CYX QB 19 LEU HN 4.16 &rst ixpk= 0, nxpk= 0, iat= -1, 255, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, igr1= 188, 189, &end # # 25 GLY HA2 27 GLU HN 4.55 &rst ixpk= 0, nxpk= 0, iat= 353, 373, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end # # 19 LEU HA 33 TYR QD 4.48 &rst ixpk= 0, nxpk= 0, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr2= 468, 477, &end # # 20 LEU QD2 33 TYR QE 5.42 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81, igr1= 287, 288, 289, igr2= 470, 477, &end # # 20 LEU QD1 33 TYR QE 5.42 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81, igr1= 283, 284, 285, igr2= 470, 477, &end # # 20 LEU HA 33 TYR QE 5.50 &rst ixpk= 0, nxpk= 0, iat= 276, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 470, 477, &end # # 8 ARG HA 11 GLU HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 97, 141, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 11 GLU HA 13 SER QB 5.50 &rst ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 177, 178, &end # # 11 GLU HA 21 GLY HA3 3.12 &rst ixpk= 0, nxpk= 0, iat= 141, 296, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end # # 19 LEU QQD 30 CYX HB3 3.64 &rst ixpk= 0, nxpk= 0, iat= 261, 425, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end # # 30 CYX HB3 31 VAL QG2 5.22 &rst ixpk= 0, nxpk= 0, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, igr2= 440, 441, 442, &end # # 7 LEU QQD 10 CYX HB3 5.30 &rst ixpk= 0, nxpk= 0, iat= 82, 134, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 19 LEU QQD 30 CYX HB2 3.60 &rst ixpk= 0, nxpk= 0, iat= 261, 424, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 7 LEU QQD 11 GLU HG2 4.40 &rst ixpk= 0, nxpk= 0, iat= 82, 146, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 17 LEU QB 19 LEU QQD 3.48 &rst ixpk= 0, nxpk= 0, iat= -1, 261, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, igr1= 233, 234, &end # # 17 LEU HG 19 LEU QQD 3.91 &rst ixpk= 0, nxpk= 0, iat= 236, 261, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end # # 19 LEU QB 30 CYX HB3 3.69 &rst ixpk= 0, nxpk= 0, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, igr1= 259, 260, &end # # 19 LEU HG 30 CYX HB3 4.01 &rst ixpk= 0, nxpk= 0, iat= 262, 425, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end # # 10 CYX HB3 11 GLU HB2 5.50 &rst ixpk= 0, nxpk= 0, iat= 134, 143, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 19 LEU QB 30 CYX HB2 3.90 &rst ixpk= 0, nxpk= 0, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, igr1= 259, 260, &end # # 14 CYX QB 19 LEU QB 3.26 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr1= 188, 189, igr2= 259, 260, &end # # 10 CYX HB3 14 CYX QB 5.19 &rst ixpk= 0, nxpk= 0, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, igr2= 188, 189, &end # # 4 PHE HB3 5 CYX HN 4.22 &rst ixpk= 0, nxpk= 0, iat= 37, 52, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end # # 20 LEU HA 20 LEU HG 4.13 &rst ixpk= 0, nxpk= 0, iat= 276, 281, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end # # 7 LEU HB3 7 LEU HG 2.69 &rst ixpk= 0, nxpk= 0, iat= 81, 83, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19, &end # # 12 LEU HB3 12 LEU QQD 3.11 &rst ixpk= 0, nxpk= 0, iat= 159, 160, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end # # 17 LEU QD1 19 LEU QQD 3.15 &rst ixpk= 0, nxpk= 0, iat= -1, 261, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, igr1= 238, 239, 240, &end # # 24 ILE QG2 24 ILE HG13 3.23 &rst ixpk= 0, nxpk= 0, iat= -1, 343, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, igr1= 338, 339, 340, &end # # 17 LEU QD2 19 LEU QQD 3.92 &rst ixpk= 0, nxpk= 0, iat= -1, 261, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, igr1= 242, 243, 244, &end # # 20 LEU HG 31 VAL QG2 4.22 &rst ixpk= 0, nxpk= 0, iat= 281, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, igr2= 440, 441, 442, &end # # 7 LEU QQD 23 CYX HN 3.49 &rst ixpk= 0, nxpk= 0, iat= 82, 322, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end # # 15 ARG HA 19 LEU HN 3.33 &rst ixpk= 0, nxpk= 0, iat= 196, 255, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end # # 23 CYX HB2 29 LYS HN 5.50 &rst ixpk= 0, nxpk= 0, iat= 326, 398, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 29 LYS HN 29 LYS QE 5.50 &rst ixpk= 0, nxpk= 0, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 411, 412, &end # # 22 LYS QB 22 LYS QE 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 304, 305, igr2= 313, 314, &end # # 22 LYS QG 22 LYS QD 2.66 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, igr1= 307, 308, igr2= 310, 311, &end # # 24 ILE HA 25 GLY HN 2.73 &rst ixpk= 0, nxpk= 0, iat= 334, 351, r1= 1.30, r2= 1.80, r3= 2.73, r4= 3.23, &end # # 7 LEU HB3 7 LEU QQD 2.91 &rst ixpk= 0, nxpk= 0, iat= 81, 82, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end # # 7 LEU HN 9 ALA QB 4.15 &rst ixpk= 0, nxpk= 0, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, igr2= 123, 124, 125, &end # # 6 ASN HA 7 LEU QQD 5.50 &rst ixpk= 0, nxpk= 0, iat= 64, 82, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 8 ARG HN 10 CYX HN 4.31 &rst ixpk= 0, nxpk= 0, iat= 95, 129, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end # # 7 LEU HB3 10 CYX HN 5.50 &rst ixpk= 0, nxpk= 0, iat= 81, 129, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 7 LEU HA 11 GLU HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 78, 141, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 8 ARG HA 11 GLU HN 3.74 &rst ixpk= 0, nxpk= 0, iat= 97, 139, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end # # 7 LEU QQD 11 GLU HG3 4.40 &rst ixpk= 0, nxpk= 0, iat= 82, 147, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 8 ARG HA 11 GLU HG2 5.36 &rst ixpk= 0, nxpk= 0, iat= 97, 146, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end # # 11 GLU HA 15 ARG HN 5.05 &rst ixpk= 0, nxpk= 0, iat= 141, 194, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end # # 13 SER QB 14 CYX HN 3.53 &rst ixpk= 0, nxpk= 0, iat= -1, 184, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr1= 177, 178, &end # # 12 LEU HA 15 ARG HN 3.59 &rst ixpk= 0, nxpk= 0, iat= 156, 194, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end # # 24 ILE QG2 27 GLU HN 5.04 &rst ixpk= 0, nxpk= 0, iat= -1, 373, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, igr1= 338, 339, 340, &end # # 16 SER HN 19 LEU QB 5.50 &rst ixpk= 0, nxpk= 0, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 259, 260, &end # # 17 LEU QD1 19 LEU HN 5.25 &rst ixpk= 0, nxpk= 0, iat= -1, 255, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1= 238, 239, 240, &end # # 8 ARG HE 12 LEU QQD 5.04 &rst ixpk= 0, nxpk= 0, iat= 108, 160, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end # # 17 LEU HN 19 LEU QQD 4.58 &rst ixpk= 0, nxpk= 0, iat= 229, 261, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end # # 11 GLU HB2 11 GLU HG2 2.93 &rst ixpk= 0, nxpk= 0, iat= 143, 146, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end # # 11 GLU HB2 11 GLU HG3 2.93 &rst ixpk= 0, nxpk= 0, iat= 143, 147, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end # # 15 ARG HB2 15 ARG QG 2.93 &rst ixpk= 0, nxpk= 0, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, igr2= 201, 202, &end # # 7 LEU HA 7 LEU QQD 2.99 &rst ixpk= 0, nxpk= 0, iat= 78, 82, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end # # 6 ASN HB3 7 LEU HA 4.91 &rst ixpk= 0, nxpk= 0, iat= 67, 78, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end # # 7 LEU HA 10 CYX HB3 5.13 &rst ixpk= 0, nxpk= 0, iat= 78, 134, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end # # 11 GLU HA 14 CYX QB 3.57 &rst ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, igr2= 188, 189, &end # # 15 ARG HB2 16 SER HN 4.25 &rst ixpk= 0, nxpk= 0, iat= 198, 218, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end # # 14 CYX QB 30 CYX HB3 3.08 &rst ixpk= 0, nxpk= 0, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, igr1= 188, 189, &end # # 16 SER QB 17 LEU QD2 5.37 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74, igr1= 222, 223, igr2= 242, 243, 244, &end # # 17 LEU QD1 19 LEU HG 4.31 &rst ixpk= 0, nxpk= 0, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, igr1= 238, 239, 240, &end # # 19 LEU QQD 20 LEU HN 3.64 &rst ixpk= 0, nxpk= 0, iat= 261, 274, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end # # 22 LYS HN 31 VAL HN 4.94 &rst ixpk= 0, nxpk= 0, iat= 300, 430, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end # # 24 ILE QG2 25 GLY HA2 5.37 &rst ixpk= 0, nxpk= 0, iat= -1, 353, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95, igr1= 338, 339, 340, &end # # 14 CYX QB 16 SER HN 4.59 &rst ixpk= 0, nxpk= 0, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, igr1= 188, 189, &end # # 5 CYX HB3 26 GLU HA 4.58 &rst ixpk= 0, nxpk= 0, iat= 57, 360, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end # # 5 CYX HB2 26 GLU HA 4.58 &rst ixpk= 0, nxpk= 0, iat= 56, 360, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end # # 27 GLU HA 28 CYX HB2 5.50 &rst ixpk= 0, nxpk= 0, iat= 375, 392, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 5 CYX HB3 27 GLU HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 57, 375, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 27 GLU HA 28 CYX HB3 5.50 &rst ixpk= 0, nxpk= 0, iat= 375, 393, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 5 CYX HB2 27 GLU HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 56, 375, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 9 ALA HN 9 ALA QB 2.98 &rst ixpk= 0, nxpk= 0, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, igr2= 123, 124, 125, &end # # 8 ARG HN 9 ALA HN 3.29 &rst ixpk= 0, nxpk= 0, iat= 95, 119, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end # # 6 ASN HB3 9 ALA HN 4.32 &rst ixpk= 0, nxpk= 0, iat= 67, 119, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end # # 6 ASN HB2 9 ALA HN 4.29 &rst ixpk= 0, nxpk= 0, iat= 66, 119, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end # # 6 ASN HB3 9 ALA QB 3.53 &rst ixpk= 0, nxpk= 0, iat= 67, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr2= 123, 124, 125, &end # # 6 ASN HB2 9 ALA QB 3.13 &rst ixpk= 0, nxpk= 0, iat= 66, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, igr2= 123, 124, 125, &end # # 7 LEU HG 8 ARG HA 5.37 &rst ixpk= 0, nxpk= 0, iat= 83, 97, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end # # 8 ARG HA 9 ALA QB 5.50 &rst ixpk= 0, nxpk= 0, iat= 97, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 123, 124, 125, &end # # 14 CYX HN 21 GLY HA3 4.78 &rst ixpk= 0, nxpk= 0, iat= 184, 296, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end # # 6 ASN HB3 8 ARG HN 4.96 &rst ixpk= 0, nxpk= 0, iat= 67, 95, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end # # 10 CYX HB3 14 CYX HN 5.50 &rst ixpk= 0, nxpk= 0, iat= 134, 184, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 8 ARG HN 8 ARG QG 4.13 &rst ixpk= 0, nxpk= 0, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, igr2= 102, 103, &end # # 8 ARG HA 8 ARG QG 3.77 &rst ixpk= 0, nxpk= 0, iat= 97, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, igr2= 102, 103, &end # # 7 LEU HA 9 ALA HN 5.50 &rst ixpk= 0, nxpk= 0, iat= 78, 119, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 6 ASN HB2 8 ARG HN 5.50 &rst ixpk= 0, nxpk= 0, iat= 66, 95, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 8 ARG HN 8 ARG QD 5.50 &rst ixpk= 0, nxpk= 0, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 105, 106, &end # # 9 ALA HN 10 CYX HB2 4.73 &rst ixpk= 0, nxpk= 0, iat= 119, 133, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end # # 8 ARG HA 8 ARG QD 4.32 &rst ixpk= 0, nxpk= 0, iat= 97, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr2= 105, 106, &end # # 9 ALA QB 10 CYX HB2 4.42 &rst ixpk= 0, nxpk= 0, iat= -1, 133, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, igr1= 123, 124, 125, &end # # 8 ARG QD 9 ALA HN 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 119, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 105, 106, &end # # 7 LEU HA 10 CYX HN 3.79 &rst ixpk= 0, nxpk= 0, iat= 78, 129, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end # # 7 LEU HA 10 CYX HB2 3.64 &rst ixpk= 0, nxpk= 0, iat= 78, 133, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end # # 5 CYX HN 26 GLU HA 4.13 &rst ixpk= 0, nxpk= 0, iat= 52, 360, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end # # 9 ALA HA 11 GLU HN 4.80 &rst ixpk= 0, nxpk= 0, iat= 121, 139, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 9 ALA HN 11 GLU HN 4.71 &rst ixpk= 0, nxpk= 0, iat= 119, 139, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end # # 20 LEU QD2 21 GLY HN 4.80 &rst ixpk= 0, nxpk= 0, iat= -1, 293, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, igr1= 287, 288, 289, &end # # 11 GLU HN 21 GLY HN 5.50 &rst ixpk= 0, nxpk= 0, iat= 139, 293, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 9 ALA HN 12 LEU QQD 4.82 &rst ixpk= 0, nxpk= 0, iat= 119, 160, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end # # 7 LEU HN 9 ALA HN 4.51 &rst ixpk= 0, nxpk= 0, iat= 76, 119, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end # # 8 ARG HN 11 GLU HN 5.14 &rst ixpk= 0, nxpk= 0, iat= 95, 139, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end # # 11 GLU HN 14 CYX HN 5.50 &rst ixpk= 0, nxpk= 0, iat= 139, 184, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 7 LEU HN 11 GLU HN 5.43 &rst ixpk= 0, nxpk= 0, iat= 76, 139, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end # # 9 ALA HN 10 CYX HN 3.24 &rst ixpk= 0, nxpk= 0, iat= 119, 129, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end # # 9 ALA QB 10 CYX HN 3.30 &rst ixpk= 0, nxpk= 0, iat= -1, 129, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr1= 123, 124, 125, &end # # 7 LEU HG 11 GLU HN 5.25 &rst ixpk= 0, nxpk= 0, iat= 83, 139, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end # # 9 ALA QB 11 GLU HN 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 139, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 123, 124, 125, &end # # 6 ASN HD21 9 ALA QB 4.82 &rst ixpk= 0, nxpk= 0, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, igr2= 123, 124, 125, &end # # 8 ARG HA 12 LEU HN 4.99 &rst ixpk= 0, nxpk= 0, iat= 97, 154, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end # # 6 ASN HD22 9 ALA QB 4.82 &rst ixpk= 0, nxpk= 0, iat= 72, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, igr2= 123, 124, 125, &end # # 9 ALA QB 12 LEU HN 5.06 &rst ixpk= 0, nxpk= 0, iat= -1, 154, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, igr1= 123, 124, 125, &end # # 9 ALA HN 12 LEU HN 5.13 &rst ixpk= 0, nxpk= 0, iat= 119, 154, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end # # 8 ARG HA 10 CYX HN 5.16 &rst ixpk= 0, nxpk= 0, iat= 97, 129, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end # # 11 GLU HN 13 SER HN 5.01 &rst ixpk= 0, nxpk= 0, iat= 139, 173, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end # # 10 CYX HN 13 SER HN 4.91 &rst ixpk= 0, nxpk= 0, iat= 129, 173, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end # # 10 CYX HN 11 GLU HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 129, 141, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 11 GLU HN 12 LEU HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 139, 156, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 11 GLU HN 11 GLU HG3 3.54 &rst ixpk= 0, nxpk= 0, iat= 139, 147, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 9 ALA HA 12 LEU QQD 3.30 &rst ixpk= 0, nxpk= 0, iat= 121, 160, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 12 LEU HA 12 LEU QQD 3.53 &rst ixpk= 0, nxpk= 0, iat= 156, 160, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end # # 12 LEU HN 12 LEU HG 3.41 &rst ixpk= 0, nxpk= 0, iat= 154, 161, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 12 LEU HN 14 CYX HN 4.23 &rst ixpk= 0, nxpk= 0, iat= 154, 184, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end # # 8 ARG QD 12 LEU QQD 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 105, 106, &end # # 7 LEU QQD 10 CYX HB2 4.60 &rst ixpk= 0, nxpk= 0, iat= 82, 133, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 12 LEU HN 15 ARG HB2 5.17 &rst ixpk= 0, nxpk= 0, iat= 154, 198, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end # # 13 SER HN 14 CYX QB 4.70 &rst ixpk= 0, nxpk= 0, iat= 173, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr2= 188, 189, &end # # 9 ALA QB 13 SER HN 5.13 &rst ixpk= 0, nxpk= 0, iat= -1, 173, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, igr1= 123, 124, 125, &end # # 10 CYX HA 13 SER HN 3.96 &rst ixpk= 0, nxpk= 0, iat= 131, 173, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end # # 14 CYX QB 20 LEU HA 4.16 &rst ixpk= 0, nxpk= 0, iat= -1, 276, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, igr1= 188, 189, &end # # 15 ARG HA 15 ARG QD 4.30 &rst ixpk= 0, nxpk= 0, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr2= 204, 205, &end # # 15 ARG HN 15 ARG QD 4.74 &rst ixpk= 0, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, igr2= 204, 205, &end # # 15 ARG HA 15 ARG QG 3.15 &rst ixpk= 0, nxpk= 0, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, igr2= 201, 202, &end # # 15 ARG HN 15 ARG HB2 3.18 &rst ixpk= 0, nxpk= 0, iat= 194, 198, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end # # 14 CYX HN 19 LEU QB 5.50 &rst ixpk= 0, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 259, 260, &end # # 15 ARG HN 19 LEU QB 5.50 &rst ixpk= 0, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 259, 260, &end # # 15 ARG HB3 15 ARG HE 4.63 &rst ixpk= 0, nxpk= 0, iat= 199, 207, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end # # 19 LEU QQD 30 CYX HN 5.11 &rst ixpk= 0, nxpk= 0, iat= 261, 420, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end # # 30 CYX HN 31 VAL QG1 5.43 &rst ixpk= 0, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02, igr2= 436, 437, 438, &end # # 22 LYS QD 23 CYX HN 4.01 &rst ixpk= 0, nxpk= 0, iat= -1, 322, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr1= 310, 311, &end # # 29 LYS QD 30 CYX HN 4.47 &rst ixpk= 0, nxpk= 0, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, igr1= 408, 409, &end # # 7 LEU QQD 11 GLU HN 4.29 &rst ixpk= 0, nxpk= 0, iat= 82, 139, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end # # 15 ARG HN 16 SER HA 5.25 &rst ixpk= 0, nxpk= 0, iat= 194, 220, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end # # 13 SER HA 16 SER HN 4.36 &rst ixpk= 0, nxpk= 0, iat= 175, 218, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end # # 12 LEU HN 13 SER HA 5.25 &rst ixpk= 0, nxpk= 0, iat= 154, 175, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end # # 16 SER HN 18 GLY HN 4.29 &rst ixpk= 0, nxpk= 0, iat= 218, 248, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end # # 15 ARG HN 16 SER HN 3.37 &rst ixpk= 0, nxpk= 0, iat= 194, 218, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end # # 11 GLU HA 14 CYX HN 4.23 &rst ixpk= 0, nxpk= 0, iat= 141, 184, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end # # 13 SER HA 15 ARG HN 5.50 &rst ixpk= 0, nxpk= 0, iat= 175, 194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 6 ASN HA 8 ARG HN 4.88 &rst ixpk= 0, nxpk= 0, iat= 64, 95, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end # # 16 SER HN 17 LEU HG 4.82 &rst ixpk= 0, nxpk= 0, iat= 218, 236, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end # # 15 ARG HN 17 LEU HN 4.85 &rst ixpk= 0, nxpk= 0, iat= 194, 229, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end # # 17 LEU HN 18 GLY HN 2.98 &rst ixpk= 0, nxpk= 0, iat= 229, 248, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end # # 15 ARG HN 19 LEU HN 4.88 &rst ixpk= 0, nxpk= 0, iat= 194, 255, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end # # 17 LEU HN 18 GLY HA2 5.07 &rst ixpk= 0, nxpk= 0, iat= 229, 250, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end # # 16 SER QB 17 LEU HN 4.03 &rst ixpk= 0, nxpk= 0, iat= -1, 229, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, igr1= 222, 223, &end # # 17 LEU HN 18 GLY HA3 5.07 &rst ixpk= 0, nxpk= 0, iat= 229, 251, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end # # 16 SER QB 19 LEU HN 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 255, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 222, 223, &end # # 17 LEU HA 19 LEU HN 5.22 &rst ixpk= 0, nxpk= 0, iat= 231, 255, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end # # 14 CYX HA 17 LEU HN 4.42 &rst ixpk= 0, nxpk= 0, iat= 186, 229, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end # # 15 ARG HA 17 LEU HN 4.75 &rst ixpk= 0, nxpk= 0, iat= 196, 229, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end # # 19 LEU HA 33 TYR QE 4.32 &rst ixpk= 0, nxpk= 0, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr2= 470, 477, &end # # 14 CYX QB 31 VAL HN 4.66 &rst ixpk= 0, nxpk= 0, iat= -1, 430, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, igr1= 188, 189, &end # # 14 CYX QB 22 LYS HN 4.80 &rst ixpk= 0, nxpk= 0, iat= -1, 300, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr1= 188, 189, &end # # 22 LYS HN 29 LYS HA 5.50 &rst ixpk= 0, nxpk= 0, iat= 300, 400, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 6 ASN HN 6 ASN HB3 3.51 &rst ixpk= 0, nxpk= 0, iat= 62, 67, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end # # 6 ASN HB3 7 LEU HN 3.63 &rst ixpk= 0, nxpk= 0, iat= 67, 76, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end # # 17 LEU QB 17 LEU QD2 3.09 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, igr1= 233, 234, igr2= 242, 243, 244, &end # # 17 LEU QB 17 LEU QD1 3.07 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, igr1= 233, 234, igr2= 238, 239, 240, &end # # 14 CYX HN 14 CYX QB 2.91 &rst ixpk= 0, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, igr2= 188, 189, &end # # 31 VAL QG2 33 TYR HN 5.01 &rst ixpk= 0, nxpk= 0, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, igr1= 440, 441, 442, &end # # 20 LEU QB 33 TYR HN 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 278, 279, &end # # 19 LEU QB 21 GLY HN 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 293, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 259, 260, &end # # 21 GLY HN 22 LYS QG 5.50 &rst ixpk= 0, nxpk= 0, iat= 293, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 307, 308, &end # # 20 LEU QD1 21 GLY HN 4.80 &rst ixpk= 0, nxpk= 0, iat= -1, 293, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, igr1= 283, 284, 285, &end # # 31 VAL QG2 33 TYR QD 4.36 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1= 440, 441, 442, igr2= 468, 477, &end # # 16 SER HN 19 LEU HN 4.72 &rst ixpk= 0, nxpk= 0, iat= 218, 255, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end # # 19 LEU HN 30 CYX HB3 4.78 &rst ixpk= 0, nxpk= 0, iat= 255, 425, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end # # 21 GLY HA2 30 CYX HA 3.78 &rst ixpk= 0, nxpk= 0, iat= 295, 422, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end # # 20 LEU HN 33 TYR QD 4.84 &rst ixpk= 0, nxpk= 0, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr2= 468, 477, &end # # 11 GLU HA 21 GLY HA2 3.99 &rst ixpk= 0, nxpk= 0, iat= 141, 295, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end # # 14 CYX QB 21 GLY HA2 3.71 &rst ixpk= 0, nxpk= 0, iat= -1, 295, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, igr1= 188, 189, &end # # 14 CYX QB 21 GLY HA3 3.62 &rst ixpk= 0, nxpk= 0, iat= -1, 296, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, igr1= 188, 189, &end # # 22 LYS HA 22 LYS QD 3.52 &rst ixpk= 0, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, igr2= 310, 311, &end # # 22 LYS HN 22 LYS QD 3.90 &rst ixpk= 0, nxpk= 0, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, igr2= 310, 311, &end # # 22 LYS QG 22 LYS QE 4.23 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, igr1= 307, 308, igr2= 313, 314, &end # # 11 GLU HA 22 LYS HN 5.50 &rst ixpk= 0, nxpk= 0, iat= 141, 300, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 21 GLY HN 22 LYS HN 4.44 &rst ixpk= 0, nxpk= 0, iat= 293, 300, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end # # 23 CYX HN 23 CYX HB2 3.47 &rst ixpk= 0, nxpk= 0, iat= 322, 326, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end # # 23 CYX HA 28 CYX HA 4.25 &rst ixpk= 0, nxpk= 0, iat= 324, 390, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end # # 21 GLY HA2 31 VAL HN 4.93 &rst ixpk= 0, nxpk= 0, iat= 295, 430, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end # # 24 ILE HA 24 ILE HG12 3.82 &rst ixpk= 0, nxpk= 0, iat= 334, 342, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end # # 24 ILE HA 24 ILE HG13 3.82 &rst ixpk= 0, nxpk= 0, iat= 334, 343, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end # # 24 ILE HA 24 ILE QG2 2.89 &rst ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, igr2= 338, 339, 340, &end # # 24 ILE HA 24 ILE QD1 3.87 &rst ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr2= 345, 346, 347, &end # # 24 ILE QG2 24 ILE HG12 3.23 &rst ixpk= 0, nxpk= 0, iat= -1, 342, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, igr1= 338, 339, 340, &end # # 24 ILE HA 25 GLY HA3 4.54 &rst ixpk= 0, nxpk= 0, iat= 334, 354, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end # # 25 GLY HA3 27 GLU HN 4.82 &rst ixpk= 0, nxpk= 0, iat= 354, 373, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end # # 26 GLU HA 26 GLU HG3 3.41 &rst ixpk= 0, nxpk= 0, iat= 360, 366, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 26 GLU HA 26 GLU HG2 3.41 &rst ixpk= 0, nxpk= 0, iat= 360, 365, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 26 GLU QB 26 GLU HG3 2.88 &rst ixpk= 0, nxpk= 0, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, igr1= 362, 363, &end # # 24 ILE QG2 26 GLU HN 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 358, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 338, 339, 340, &end # # 26 GLU HN 27 GLU HN 3.21 &rst ixpk= 0, nxpk= 0, iat= 358, 373, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end # # 27 GLU HN 27 GLU HG2 4.97 &rst ixpk= 0, nxpk= 0, iat= 373, 380, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end # # 27 GLU HN 27 GLU HB2 3.66 &rst ixpk= 0, nxpk= 0, iat= 373, 377, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end # # 23 CYX HA 27 GLU HN 5.49 &rst ixpk= 0, nxpk= 0, iat= 324, 373, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end # # 23 CYX HA 28 CYX HN 5.10 &rst ixpk= 0, nxpk= 0, iat= 324, 388, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 27 GLU HN 28 CYX HN 4.75 &rst ixpk= 0, nxpk= 0, iat= 373, 388, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end # # 27 GLU HB2 28 CYX HN 4.67 &rst ixpk= 0, nxpk= 0, iat= 377, 388, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end # # 29 LYS HA 30 CYX HA 4.70 &rst ixpk= 0, nxpk= 0, iat= 400, 422, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 29 LYS HA 29 LYS QG 4.13 &rst ixpk= 0, nxpk= 0, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, igr2= 405, 406, &end # # 29 LYS QG 30 CYX HN 4.78 &rst ixpk= 0, nxpk= 0, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr1= 405, 406, &end # # 29 LYS HN 29 LYS QD 4.77 &rst ixpk= 0, nxpk= 0, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, igr2= 408, 409, &end # # 22 LYS HN 30 CYX HN 5.50 &rst ixpk= 0, nxpk= 0, iat= 300, 420, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 13 SER HN 16 SER HN 5.50 &rst ixpk= 0, nxpk= 0, iat= 173, 218, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 20 LEU HN 21 GLY HN 4.76 &rst ixpk= 0, nxpk= 0, iat= 274, 293, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end # # 14 CYX QB 19 LEU HG 3.92 &rst ixpk= 0, nxpk= 0, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr1= 188, 189, &end # # 19 LEU QB 30 CYX HA 4.18 &rst ixpk= 0, nxpk= 0, iat= -1, 422, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, igr1= 259, 260, &end # # 14 CYX QB 30 CYX HA 3.88 &rst ixpk= 0, nxpk= 0, iat= -1, 422, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, igr1= 188, 189, &end # # 20 LEU QB 30 CYX HA 4.62 &rst ixpk= 0, nxpk= 0, iat= -1, 422, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr1= 278, 279, &end # # 30 CYX HA 31 VAL QG2 3.94 &rst ixpk= 0, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr2= 440, 441, 442, &end # # 30 CYX HA 31 VAL HA 5.03 &rst ixpk= 0, nxpk= 0, iat= 422, 432, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end # # 31 VAL QG2 32 PRO HD3 4.65 &rst ixpk= 0, nxpk= 0, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr1= 440, 441, 442, &end # # 31 VAL QG2 32 PRO HD2 3.97 &rst ixpk= 0, nxpk= 0, iat= -1, 447, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr1= 440, 441, 442, &end # # 31 VAL QG1 32 PRO HD2 3.93 &rst ixpk= 0, nxpk= 0, iat= -1, 447, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 436, 437, 438, &end # # 31 VAL HA 31 VAL QG2 3.22 &rst ixpk= 0, nxpk= 0, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, igr2= 440, 441, 442, &end # # 31 VAL HA 31 VAL QG1 3.53 &rst ixpk= 0, nxpk= 0, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr2= 436, 437, 438, &end # # 19 LEU QQD 30 CYX HA 4.32 &rst ixpk= 0, nxpk= 0, iat= 261, 422, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end # # 30 CYX HA 31 VAL QG1 4.60 &rst ixpk= 0, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, igr2= 436, 437, 438, &end # # 31 VAL HA 32 PRO HD3 2.84 &rst ixpk= 0, nxpk= 0, iat= 432, 448, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34, &end # # 24 ILE HN 24 ILE QD1 4.28 &rst ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr2= 345, 346, 347, &end # # 20 LEU QD1 33 TYR HA 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 283, 284, 285, &end # # 26 GLU QB 26 GLU HG2 2.88 &rst ixpk= 0, nxpk= 0, iat= -1, 365, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, igr1= 362, 363, &end # # 31 VAL HA 32 PRO HD2 3.03 &rst ixpk= 0, nxpk= 0, iat= 432, 447, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end # # 10 CYX HA 13 SER QB 3.98 &rst ixpk= 0, nxpk= 0, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr2= 177, 178, &end # # 19 LEU HA 19 LEU QQD 3.54 &rst ixpk= 0, nxpk= 0, iat= 257, 261, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end # # 19 LEU QQD 32 PRO HA 3.58 &rst ixpk= 0, nxpk= 0, iat= 261, 456, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end # # 20 LEU QD2 33 TYR HA 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 287, 288, 289, &end # # 32 PRO HA 33 TYR HN 2.81 &rst ixpk= 0, nxpk= 0, iat= 456, 460, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31, &end # # 19 LEU QQD 33 TYR HN 3.85 &rst ixpk= 0, nxpk= 0, iat= 261, 460, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end # # 22 LYS HA 22 LYS QG 3.85 &rst ixpk= 0, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, igr2= 307, 308, &end # # 7 LEU QQD 22 LYS HA 3.33 &rst ixpk= 0, nxpk= 0, iat= 82, 302, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end # # 14 CYX QB 19 LEU QQD 3.98 &rst ixpk= 0, nxpk= 0, iat= -1, 261, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr1= 188, 189, &end # # 17 LEU HA 17 LEU HG 3.27 &rst ixpk= 0, nxpk= 0, iat= 231, 236, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end # # 17 LEU HA 17 LEU QD1 4.26 &rst ixpk= 0, nxpk= 0, iat= 231, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, igr2= 238, 239, 240, &end # # 17 LEU HA 17 LEU QD2 2.98 &rst ixpk= 0, nxpk= 0, iat= 231, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, igr2= 242, 243, 244, &end # # 14 CYX HA 17 LEU QD1 4.52 &rst ixpk= 0, nxpk= 0, iat= 186, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr2= 238, 239, 240, &end # # 31 VAL HA 32 PRO HB3 5.03 &rst ixpk= 0, nxpk= 0, iat= 432, 454, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end # # 31 VAL HA 32 PRO QG 4.46 &rst ixpk= 0, nxpk= 0, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, igr2= 450, 451, &end # # 12 LEU HA 15 ARG QD 4.20 &rst ixpk= 0, nxpk= 0, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, igr2= 204, 205, &end # # 20 LEU HA 21 GLY HA3 5.50 &rst ixpk= 0, nxpk= 0, iat= 276, 296, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 5 CYX HA 6 ASN HB2 4.44 &rst ixpk= 0, nxpk= 0, iat= 54, 66, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end # # 5 CYX HN 6 ASN HN 4.64 &rst ixpk= 0, nxpk= 0, iat= 52, 62, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end # # 19 LEU HA 19 LEU HG 3.57 &rst ixpk= 0, nxpk= 0, iat= 257, 262, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end # # 12 LEU HA 15 ARG HB2 3.65 &rst ixpk= 0, nxpk= 0, iat= 156, 198, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end # # 12 LEU HA 15 ARG HB3 3.45 &rst ixpk= 0, nxpk= 0, iat= 156, 199, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end # # 8 ARG HA 11 GLU HB2 3.75 &rst ixpk= 0, nxpk= 0, iat= 97, 143, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end # # 8 ARG HA 11 GLU HB3 4.51 &rst ixpk= 0, nxpk= 0, iat= 97, 144, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end # # 14 CYX HA 14 CYX QB 2.89 &rst ixpk= 0, nxpk= 0, iat= 186, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, igr2= 188, 189, &end # # 14 CYX HA 19 LEU HG 4.42 &rst ixpk= 0, nxpk= 0, iat= 186, 262, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end # # 14 CYX HA 19 LEU QB 4.70 &rst ixpk= 0, nxpk= 0, iat= 186, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr2= 259, 260, &end # # 17 LEU HA 19 LEU HG 4.51 &rst ixpk= 0, nxpk= 0, iat= 231, 262, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end # # 19 LEU QB 32 PRO HA 5.50 &rst ixpk= 0, nxpk= 0, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 259, 260, &end # # 14 CYX HA 30 CYX HB3 5.50 &rst ixpk= 0, nxpk= 0, iat= 186, 425, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 14 CYX QB 20 LEU HN 4.76 &rst ixpk= 0, nxpk= 0, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr1= 188, 189, &end # # 8 ARG HA 11 GLU HG3 5.36 &rst ixpk= 0, nxpk= 0, iat= 97, 147, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end # # 33 TYR HN 33 TYR QD 3.56 &rst ixpk= 0, nxpk= 0, iat= 460, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr2= 468, 477, &end # # 33 TYR HN 33 TYR QE 5.50 &rst ixpk= 0, nxpk= 0, iat= 460, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 470, 477, &end # # 19 LEU HA 33 TYR HN 4.08 &rst ixpk= 0, nxpk= 0, iat= 257, 460, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
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