NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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573006 |
2map   |
19367 | cing | 1-original | 3 | AMBER | dihedral angle |
# 1790 atoms read from pdb file amber_cycle001.pdb. # 5 LEU PHI: (4 GLN C)-(5 LEU N)-(5 LEU CA)-(5 LEU C) -141.5 -50.3 &rst iat = 61, 63, 65, 80, r1 = -142.5, r2 = -141.5, r3 = -50.3, r4 = -49.3, rk2 = 400, rk3 = 400, &end # 6 THR PHI: (5 LEU C)-(6 THR N)-(6 THR CA)-(6 THR C) -103.2 -63.2 &rst iat = 80, 82, 84, 94, r1 = -104.2, r2 = -103.2, r3 = -63.2, r4 = -62.2, &end # 6 THR PSI: (6 THR N)-(6 THR CA)-(6 THR C)-(7 ASP N) 143.7 183.7 &rst iat = 82, 84, 94, 96, r1 = 142.7, r2 = 143.7, r3 = 183.7, r4 = 184.7, &end # 7 ASP PHI: (6 THR C)-(7 ASP N)-(7 ASP CA)-(7 ASP C) -78.0 -38.0 &rst iat = 94, 96, 98, 106, r1 = -79.0, r2 = -78.0, r3 = -38.0, r4 = -37.0, &end # 7 ASP PSI: (7 ASP N)-(7 ASP CA)-(7 ASP C)-(8 GLN N) -57.9 -15.0 &rst iat = 96, 98, 106, 108, r1 = -58.9, r2 = -57.9, r3 = -15.0, r4 = -14.0, &end # 8 GLN PHI: (7 ASP C)-(8 GLN N)-(8 GLN CA)-(8 GLN C) -82.6 -42.6 &rst iat = 106, 108, 110, 123, r1 = -83.6, r2 = -82.6, r3 = -42.6, r4 = -41.6, &end # 8 GLN PSI: (8 GLN N)-(8 GLN CA)-(8 GLN C)-(9 VAL N) -57.5 -17.5 &rst iat = 108, 110, 123, 125, r1 = -58.5, r2 = -57.5, r3 = -17.5, r4 = -16.5, &end # 9 VAL PHI: (8 GLN C)-(9 VAL N)-(9 VAL CA)-(9 VAL C) -84.2 -40.2 &rst iat = 123, 125, 127, 139, r1 = -85.2, r2 = -84.2, r3 = -40.2, r4 = -39.2, &end # 9 VAL PSI: (9 VAL N)-(9 VAL CA)-(9 VAL C)-(10 LEU N) -64.0 -23.0 &rst iat = 125, 127, 139, 141, r1 = -65.0, r2 = -64.0, r3 = -23.0, r4 = -22.0, &end # 10 LEU PHI: (9 VAL C)-(10 LEU N)-(10 LEU CA)-(10 LEU C) -80.5 -40.5 &rst iat = 139, 141, 143, 158, r1 = -81.5, r2 = -80.5, r3 = -40.5, r4 = -39.5, &end # 10 LEU PSI: (10 LEU N)-(10 LEU CA)-(10 LEU C)-(11 VAL N) -63.0 -23.0 &rst iat = 141, 143, 158, 160, r1 = -64.0, r2 = -63.0, r3 = -23.0, r4 = -22.0, &end # 11 VAL PHI: (10 LEU C)-(11 VAL N)-(11 VAL CA)-(11 VAL C) -83.6 -43.6 &rst iat = 158, 160, 162, 174, r1 = -84.6, r2 = -83.6, r3 = -43.6, r4 = -42.6, &end # 11 VAL PSI: (11 VAL N)-(11 VAL CA)-(11 VAL C)-(12 GLU N) -64.3 -24.3 &rst iat = 160, 162, 174, 176, r1 = -65.3, r2 = -64.3, r3 = -24.3, r4 = -23.3, &end # 12 GLU PHI: (11 VAL C)-(12 GLU N)-(12 GLU CA)-(12 GLU C) -82.5 -42.5 &rst iat = 174, 176, 178, 189, r1 = -83.5, r2 = -82.5, r3 = -42.5, r4 = -41.5, &end # 12 GLU PSI: (12 GLU N)-(12 GLU CA)-(12 GLU C)-(13 ARG N) -61.6 -21.6 &rst iat = 176, 178, 189, 191, r1 = -62.6, r2 = -61.6, r3 = -21.6, r4 = -20.6, &end # 13 ARG PHI: (12 GLU C)-(13 ARG N)-(13 ARG CA)-(13 ARG C) -86.6 -46.6 &rst iat = 189, 191, 193, 213, r1 = -87.6, r2 = -86.6, r3 = -46.6, r4 = -45.6, &end # 13 ARG PSI: (13 ARG N)-(13 ARG CA)-(13 ARG C)-(14 VAL N) -57.2 -17.2 &rst iat = 191, 193, 213, 215, r1 = -58.2, r2 = -57.2, r3 = -17.2, r4 = -16.2, &end # 14 VAL PHI: (13 ARG C)-(14 VAL N)-(14 VAL CA)-(14 VAL C) -90.4 -50.4 &rst iat = 213, 215, 217, 229, r1 = -91.4, r2 = -90.4, r3 = -50.4, r4 = -49.4, &end # 14 VAL PSI: (14 VAL N)-(14 VAL CA)-(14 VAL C)-(15 GLN N) -60.0 -20.0 &rst iat = 215, 217, 229, 231, r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0, &end # 15 GLN PHI: (14 VAL C)-(15 GLN N)-(15 GLN CA)-(15 GLN C) -81.3 -41.3 &rst iat = 229, 231, 233, 246, r1 = -82.3, r2 = -81.3, r3 = -41.3, r4 = -40.3, &end # 15 GLN PSI: (15 GLN N)-(15 GLN CA)-(15 GLN C)-(16 LYS N) -56.5 -15.5 &rst iat = 231, 233, 246, 248, r1 = -57.5, r2 = -56.5, r3 = -15.5, r4 = -14.5, &end # 16 LYS PHI: (15 GLN C)-(16 LYS N)-(16 LYS CA)-(16 LYS C) -117.1 -61.7 &rst iat = 246, 248, 250, 268, r1 = -118.1, r2 = -117.1, r3 = -61.7, r4 = -60.7, &end # 16 LYS PSI: (16 LYS N)-(16 LYS CA)-(16 LYS C)-(17 GLY N) -55.2 24.2 &rst iat = 248, 250, 268, 270, r1 = -56.2, r2 = -55.2, r3 = 24.2, r4 = 25.2, &end # 18 ASP PHI: (17 GLY C)-(18 ASP N)-(18 ASP CA)-(18 ASP C) -112.8 -52.7 &rst iat = 275, 277, 279, 287, r1 = -113.8, r2 = -112.8, r3 = -52.7, r4 = -51.7, &end # 18 ASP PSI: (18 ASP N)-(18 ASP CA)-(18 ASP C)-(19 GLN N) 83.8 176.8 &rst iat = 277, 279, 287, 289, r1 = 82.8, r2 = 83.8, r3 = 176.8, r4 = 177.8, &end # 19 GLN PHI: (18 ASP C)-(19 GLN N)-(19 GLN CA)-(19 GLN C) -80.0 -37.4 &rst iat = 287, 289, 291, 304, r1 = -81.0, r2 = -80.0, r3 = -37.4, r4 = -36.4, &end # 19 GLN PSI: (19 GLN N)-(19 GLN CA)-(19 GLN C)-(20 LYS N) -61.1 -3.2 &rst iat = 289, 291, 304, 306, r1 = -62.1, r2 = -61.1, r3 = -3.2, r4 = -2.2, &end # 20 LYS PHI: (19 GLN C)-(20 LYS N)-(20 LYS CA)-(20 LYS C) -82.5 -42.5 &rst iat = 304, 306, 308, 326, r1 = -83.5, r2 = -82.5, r3 = -42.5, r4 = -41.5, &end # 20 LYS PSI: (20 LYS N)-(20 LYS CA)-(20 LYS C)-(21 ALA N) -58.3 -18.3 &rst iat = 306, 308, 326, 328, r1 = -59.3, r2 = -58.3, r3 = -18.3, r4 = -17.3, &end # 21 ALA PHI: (20 LYS C)-(21 ALA N)-(21 ALA CA)-(21 ALA C) -85.8 -45.8 &rst iat = 326, 328, 330, 336, r1 = -86.8, r2 = -85.8, r3 = -45.8, r4 = -44.8, &end # 21 ALA PSI: (21 ALA N)-(21 ALA CA)-(21 ALA C)-(22 PHE N) -59.9 -19.9 &rst iat = 328, 330, 336, 338, r1 = -60.9, r2 = -59.9, r3 = -19.9, r4 = -18.9, &end # 22 PHE PHI: (21 ALA C)-(22 PHE N)-(22 PHE CA)-(22 PHE C) -80.3 -40.3 &rst iat = 336, 338, 340, 356, r1 = -81.3, r2 = -80.3, r3 = -40.3, r4 = -39.3, &end # 22 PHE PSI: (22 PHE N)-(22 PHE CA)-(22 PHE C)-(23 ASN N) -65.0 -25.0 &rst iat = 338, 340, 356, 358, r1 = -66.0, r2 = -65.0, r3 = -25.0, r4 = -24.0, &end # 23 ASN PHI: (22 PHE C)-(23 ASN N)-(23 ASN CA)-(23 ASN C) -82.0 -42.0 &rst iat = 356, 358, 360, 370, r1 = -83.0, r2 = -82.0, r3 = -42.0, r4 = -41.0, &end # 23 ASN PSI: (23 ASN N)-(23 ASN CA)-(23 ASN C)-(24 LEU N) -63.3 -19.2 &rst iat = 358, 360, 370, 372, r1 = -64.3, r2 = -63.3, r3 = -19.2, r4 = -18.2, &end # 24 LEU PHI: (23 ASN C)-(24 LEU N)-(24 LEU CA)-(24 LEU C) -83.9 -43.9 &rst iat = 370, 372, 374, 389, r1 = -84.9, r2 = -83.9, r3 = -43.9, r4 = -42.9, &end # 24 LEU PSI: (24 LEU N)-(24 LEU CA)-(24 LEU C)-(25 LEU N) -58.7 -18.7 &rst iat = 372, 374, 389, 391, r1 = -59.7, r2 = -58.7, r3 = -18.7, r4 = -17.7, &end # 25 LEU PHI: (24 LEU C)-(25 LEU N)-(25 LEU CA)-(25 LEU C) -82.5 -42.5 &rst iat = 389, 391, 393, 408, r1 = -83.5, r2 = -82.5, r3 = -42.5, r4 = -41.5, &end # 25 LEU PSI: (25 LEU N)-(25 LEU CA)-(25 LEU C)-(26 VAL N) -63.5 -23.5 &rst iat = 391, 393, 408, 410, r1 = -64.5, r2 = -63.5, r3 = -23.5, r4 = -22.5, &end # 26 VAL PHI: (25 LEU C)-(26 VAL N)-(26 VAL CA)-(26 VAL C) -85.7 -45.7 &rst iat = 408, 410, 412, 424, r1 = -86.7, r2 = -85.7, r3 = -45.7, r4 = -44.7, &end # 26 VAL PSI: (26 VAL N)-(26 VAL CA)-(26 VAL C)-(27 VAL N) -65.8 -25.8 &rst iat = 410, 412, 424, 426, r1 = -66.8, r2 = -65.8, r3 = -25.8, r4 = -24.8, &end # 27 VAL PHI: (26 VAL C)-(27 VAL N)-(27 VAL CA)-(27 VAL C) -77.5 -37.5 &rst iat = 424, 426, 428, 440, r1 = -78.5, r2 = -77.5, r3 = -37.5, r4 = -36.5, &end # 27 VAL PSI: (27 VAL N)-(27 VAL CA)-(27 VAL C)-(28 ARG N) -65.0 -24.0 &rst iat = 426, 428, 440, 442, r1 = -66.0, r2 = -65.0, r3 = -24.0, r4 = -23.0, &end # 28 ARG PHI: (27 VAL C)-(28 ARG N)-(28 ARG CA)-(28 ARG C) -91.7 -49.0 &rst iat = 440, 442, 444, 464, r1 = -92.7, r2 = -91.7, r3 = -49.0, r4 = -48.0, &end # 28 ARG PSI: (28 ARG N)-(28 ARG CA)-(28 ARG C)-(29 TYR N) -59.2 -19.2 &rst iat = 442, 444, 464, 466, r1 = -60.2, r2 = -59.2, r3 = -19.2, r4 = -18.2, &end # 29 TYR PHI: (28 ARG C)-(29 TYR N)-(29 TYR CA)-(29 TYR C) -114.1 -60.6 &rst iat = 464, 466, 468, 485, r1 = -115.1, r2 = -114.1, r3 = -60.6, r4 = -59.6, &end # 29 TYR PSI: (29 TYR N)-(29 TYR CA)-(29 TYR C)-(30 GLN N) -52.7 -0.0 &rst iat = 466, 468, 485, 487, r1 = -53.7, r2 = -52.7, r3 = -0.0, r4 = 1.0, &end # 30 GLN PHI: (29 TYR C)-(30 GLN N)-(30 GLN CA)-(30 GLN C) -84.3 -44.3 &rst iat = 485, 487, 489, 502, r1 = -85.3, r2 = -84.3, r3 = -44.3, r4 = -43.3, &end # 30 GLN PSI: (30 GLN N)-(30 GLN CA)-(30 GLN C)-(31 HIE N) -59.7 -19.7 &rst iat = 487, 489, 502, 504, r1 = -60.7, r2 = -59.7, r3 = -19.7, r4 = -18.7, &end # 31 HIS PHI: (30 GLN C)-(31 HIE N)-(31 HIE CA)-(31 HIE C) -87.2 -46.9 &rst iat = 502, 504, 506, 519, r1 = -88.2, r2 = -87.2, r3 = -46.9, r4 = -45.9, &end # 31 HIS PSI: (31 HIE N)-(31 HIE CA)-(31 HIE C)-(32 LYS N) -59.5 -19.5 &rst iat = 504, 506, 519, 521, r1 = -60.5, r2 = -59.5, r3 = -19.5, r4 = -18.5, &end # 32 LYS PHI: (31 HIE C)-(32 LYS N)-(32 LYS CA)-(32 LYS C) -88.0 -48.0 &rst iat = 519, 521, 523, 541, r1 = -89.0, r2 = -88.0, r3 = -48.0, r4 = -47.0, &end # 32 LYS PSI: (32 LYS N)-(32 LYS CA)-(32 LYS C)-(33 VAL N) -61.4 -21.4 &rst iat = 521, 523, 541, 543, r1 = -62.4, r2 = -61.4, r3 = -21.4, r4 = -20.4, &end # 33 VAL PHI: (32 LYS C)-(33 VAL N)-(33 VAL CA)-(33 VAL C) -84.1 -44.1 &rst iat = 541, 543, 545, 557, r1 = -85.1, r2 = -84.1, r3 = -44.1, r4 = -43.1, &end # 33 VAL PSI: (33 VAL N)-(33 VAL CA)-(33 VAL C)-(34 ALA N) -62.4 -22.4 &rst iat = 543, 545, 557, 559, r1 = -63.4, r2 = -62.4, r3 = -22.4, r4 = -21.4, &end # 34 ALA PHI: (33 VAL C)-(34 ALA N)-(34 ALA CA)-(34 ALA C) -79.4 -39.4 &rst iat = 557, 559, 561, 567, r1 = -80.4, r2 = -79.4, r3 = -39.4, r4 = -38.4, &end # 34 ALA PSI: (34 ALA N)-(34 ALA CA)-(34 ALA C)-(35 SER N) -61.1 -21.1 &rst iat = 559, 561, 567, 569, r1 = -62.1, r2 = -61.1, r3 = -21.1, r4 = -20.1, &end # 35 SER PHI: (34 ALA C)-(35 SER N)-(35 SER CA)-(35 SER C) -84.2 -44.2 &rst iat = 567, 569, 571, 578, r1 = -85.2, r2 = -84.2, r3 = -44.2, r4 = -43.2, &end # 35 SER PSI: (35 SER N)-(35 SER CA)-(35 SER C)-(36 LEU N) -62.7 -22.7 &rst iat = 569, 571, 578, 580, r1 = -63.7, r2 = -62.7, r3 = -22.7, r4 = -21.7, &end # 36 LEU PHI: (35 SER C)-(36 LEU N)-(36 LEU CA)-(36 LEU C) -88.0 -48.0 &rst iat = 578, 580, 582, 597, r1 = -89.0, r2 = -88.0, r3 = -48.0, r4 = -47.0, &end # 36 LEU PSI: (36 LEU N)-(36 LEU CA)-(36 LEU C)-(37 VAL N) -66.3 -26.3 &rst iat = 580, 582, 597, 599, r1 = -67.3, r2 = -66.3, r3 = -26.3, r4 = -25.3, &end # 37 VAL PHI: (36 LEU C)-(37 VAL N)-(37 VAL CA)-(37 VAL C) -83.1 -43.1 &rst iat = 597, 599, 601, 613, r1 = -84.1, r2 = -83.1, r3 = -43.1, r4 = -42.1, &end # 37 VAL PSI: (37 VAL N)-(37 VAL CA)-(37 VAL C)-(38 SER N) -58.2 -18.2 &rst iat = 599, 601, 613, 615, r1 = -59.2, r2 = -58.2, r3 = -18.2, r4 = -17.2, &end # 38 SER PHI: (37 VAL C)-(38 SER N)-(38 SER CA)-(38 SER C) -86.2 -46.2 &rst iat = 613, 615, 617, 624, r1 = -87.2, r2 = -86.2, r3 = -46.2, r4 = -45.2, &end # 38 SER PSI: (38 SER N)-(38 SER CA)-(38 SER C)-(39 ARG N) -60.9 -16.4 &rst iat = 615, 617, 624, 626, r1 = -61.9, r2 = -60.9, r3 = -16.4, r4 = -15.4, &end # 39 ARG PHI: (38 SER C)-(39 ARG N)-(39 ARG CA)-(39 ARG C) -98.1 -58.1 &rst iat = 624, 626, 628, 648, r1 = -99.1, r2 = -98.1, r3 = -58.1, r4 = -57.1, &end # 39 ARG PSI: (39 ARG N)-(39 ARG CA)-(39 ARG C)-(40 TYR N) -61.5 2.3 &rst iat = 626, 628, 648, 650, r1 = -62.5, r2 = -61.5, r3 = 2.3, r4 = 3.3, &end # 40 TYR PHI: (39 ARG C)-(40 TYR N)-(40 TYR CA)-(40 TYR C) -126.6 -67.8 &rst iat = 648, 650, 652, 669, r1 = -127.6, r2 = -126.6, r3 = -67.8, r4 = -66.8, &end # 40 TYR PSI: (40 TYR N)-(40 TYR CA)-(40 TYR C)-(41 VAL N) -68.9 15.0 &rst iat = 650, 652, 669, 671, r1 = -69.9, r2 = -68.9, r3 = 15.0, r4 = 16.0, &end # 41 VAL PHI: (40 TYR C)-(41 VAL N)-(41 VAL CA)-(41 VAL C) -168.5 -97.1 &rst iat = 669, 671, 673, 685, r1 = -169.5, r2 = -168.5, r3 = -97.1, r4 = -96.1, &end # 41 VAL PSI: (41 VAL N)-(41 VAL CA)-(41 VAL C)-(42 PRO N) 66.4 206.4 &rst iat = 671, 673, 685, 687, r1 = 65.4, r2 = 66.4, r3 = 206.4, r4 = 207.4, &end # 42 PRO PSI: (42 PRO N)-(42 PRO CA)-(42 PRO C)-(43 SER N) 129.3 169.3 &rst iat = 687, 697, 699, 701, r1 = 128.3, r2 = 129.3, r3 = 169.3, r4 = 170.3, &end # 43 SER PHI: (42 PRO C)-(43 SER N)-(43 SER CA)-(43 SER C) -76.3 -36.3 &rst iat = 699, 701, 703, 710, r1 = -77.3, r2 = -76.3, r3 = -36.3, r4 = -35.3, &end # 43 SER PSI: (43 SER N)-(43 SER CA)-(43 SER C)-(44 GLY N) -51.1 -11.1 &rst iat = 701, 703, 710, 712, r1 = -52.1, r2 = -51.1, r3 = -11.1, r4 = -10.1, &end # 44 GLY PHI: (43 SER C)-(44 GLY N)-(44 GLY CA)-(44 GLY C) -86.8 -46.1 &rst iat = 710, 712, 714, 717, r1 = -87.8, r2 = -86.8, r3 = -46.1, r4 = -45.1, &end # 44 GLY PSI: (44 GLY N)-(44 GLY CA)-(44 GLY C)-(45 ASP N) -65.4 11.1 &rst iat = 712, 714, 717, 719, r1 = -66.4, r2 = -65.4, r3 = 11.1, r4 = 12.1, &end # 45 ASP PHI: (44 GLY C)-(45 ASP N)-(45 ASP CA)-(45 ASP C) -118.3 -54.4 &rst iat = 717, 719, 721, 729, r1 = -119.3, r2 = -118.3, r3 = -54.4, r4 = -53.4, &end # 45 ASP PSI: (45 ASP N)-(45 ASP CA)-(45 ASP C)-(46 VAL N) -47.8 3.6 &rst iat = 719, 721, 729, 731, r1 = -48.8, r2 = -47.8, r3 = 3.6, r4 = 4.6, &end # 46 VAL PHI: (45 ASP C)-(46 VAL N)-(46 VAL CA)-(46 VAL C) -78.6 -29.0 &rst iat = 729, 731, 733, 745, r1 = -79.6, r2 = -78.6, r3 = -29.0, r4 = -28.0, &end # 46 VAL PSI: (46 VAL N)-(46 VAL CA)-(46 VAL C)-(47 PRO N) -68.6 -28.6 &rst iat = 731, 733, 745, 747, r1 = -69.6, r2 = -68.6, r3 = -28.6, r4 = -27.6, &end # 47 PRO PSI: (47 PRO N)-(47 PRO CA)-(47 PRO C)-(48 ASP N) -59.0 -19.0 &rst iat = 747, 757, 759, 761, r1 = -60.0, r2 = -59.0, r3 = -19.0, r4 = -18.0, &end # 48 ASP PHI: (47 PRO C)-(48 ASP N)-(48 ASP CA)-(48 ASP C) -86.7 -46.7 &rst iat = 759, 761, 763, 771, r1 = -87.7, r2 = -86.7, r3 = -46.7, r4 = -45.7, &end # 48 ASP PSI: (48 ASP N)-(48 ASP CA)-(48 ASP C)-(49 VAL N) -61.5 -21.5 &rst iat = 761, 763, 771, 773, r1 = -62.5, r2 = -61.5, r3 = -21.5, r4 = -20.5, &end # 49 VAL PHI: (48 ASP C)-(49 VAL N)-(49 VAL CA)-(49 VAL C) -84.1 -44.1 &rst iat = 771, 773, 775, 787, r1 = -85.1, r2 = -84.1, r3 = -44.1, r4 = -43.1, &end # 49 VAL PSI: (49 VAL N)-(49 VAL CA)-(49 VAL C)-(50 VAL N) -66.0 -26.0 &rst iat = 773, 775, 787, 789, r1 = -67.0, r2 = -66.0, r3 = -26.0, r4 = -25.0, &end # 50 VAL PHI: (49 VAL C)-(50 VAL N)-(50 VAL CA)-(50 VAL C) -80.7 -40.7 &rst iat = 787, 789, 791, 803, r1 = -81.7, r2 = -80.7, r3 = -40.7, r4 = -39.7, &end # 50 VAL PSI: (50 VAL N)-(50 VAL CA)-(50 VAL C)-(51 GLN N) -65.7 -25.7 &rst iat = 789, 791, 803, 805, r1 = -66.7, r2 = -65.7, r3 = -25.7, r4 = -24.7, &end # 51 GLN PHI: (50 VAL C)-(51 GLN N)-(51 GLN CA)-(51 GLN C) -81.7 -41.7 &rst iat = 803, 805, 807, 820, r1 = -82.7, r2 = -81.7, r3 = -41.7, r4 = -40.7, &end # 51 GLN PSI: (51 GLN N)-(51 GLN CA)-(51 GLN C)-(52 GLU N) -59.3 -19.3 &rst iat = 805, 807, 820, 822, r1 = -60.3, r2 = -59.3, r3 = -19.3, r4 = -18.3, &end # 52 GLU PHI: (51 GLN C)-(52 GLU N)-(52 GLU CA)-(52 GLU C) -85.1 -45.1 &rst iat = 820, 822, 824, 835, r1 = -86.1, r2 = -85.1, r3 = -45.1, r4 = -44.1, &end # 52 GLU PSI: (52 GLU N)-(52 GLU CA)-(52 GLU C)-(53 ALA N) -60.5 -20.5 &rst iat = 822, 824, 835, 837, r1 = -61.5, r2 = -60.5, r3 = -20.5, r4 = -19.5, &end # 53 ALA PHI: (52 GLU C)-(53 ALA N)-(53 ALA CA)-(53 ALA C) -84.2 -44.2 &rst iat = 835, 837, 839, 845, r1 = -85.2, r2 = -84.2, r3 = -44.2, r4 = -43.2, &end # 53 ALA PSI: (53 ALA N)-(53 ALA CA)-(53 ALA C)-(54 PHE N) -63.2 -23.2 &rst iat = 837, 839, 845, 847, r1 = -64.2, r2 = -63.2, r3 = -23.2, r4 = -22.2, &end # 54 PHE PHI: (53 ALA C)-(54 PHE N)-(54 PHE CA)-(54 PHE C) -84.4 -44.4 &rst iat = 845, 847, 849, 865, r1 = -85.4, r2 = -84.4, r3 = -44.4, r4 = -43.4, &end # 54 PHE PSI: (54 PHE N)-(54 PHE CA)-(54 PHE C)-(55 ILE N) -56.7 -16.7 &rst iat = 847, 849, 865, 867, r1 = -57.7, r2 = -56.7, r3 = -16.7, r4 = -15.7, &end # 55 ILE PHI: (54 PHE C)-(55 ILE N)-(55 ILE CA)-(55 ILE C) -87.6 -47.6 &rst iat = 865, 867, 869, 884, r1 = -88.6, r2 = -87.6, r3 = -47.6, r4 = -46.6, &end # 55 ILE PSI: (55 ILE N)-(55 ILE CA)-(55 ILE C)-(56 LYS N) -64.5 -24.5 &rst iat = 867, 869, 884, 886, r1 = -65.5, r2 = -64.5, r3 = -24.5, r4 = -23.5, &end # 56 LYS PHI: (55 ILE C)-(56 LYS N)-(56 LYS CA)-(56 LYS C) -81.4 -41.4 &rst iat = 884, 886, 888, 906, r1 = -82.4, r2 = -81.4, r3 = -41.4, r4 = -40.4, &end # 56 LYS PSI: (56 LYS N)-(56 LYS CA)-(56 LYS C)-(57 ALA N) -62.8 -13.3 &rst iat = 886, 888, 906, 908, r1 = -63.8, r2 = -62.8, r3 = -13.3, r4 = -12.3, &end # 57 ALA PHI: (56 LYS C)-(57 ALA N)-(57 ALA CA)-(57 ALA C) -85.0 -45.0 &rst iat = 906, 908, 910, 916, r1 = -86.0, r2 = -85.0, r3 = -45.0, r4 = -44.0, &end # 57 ALA PSI: (57 ALA N)-(57 ALA CA)-(57 ALA C)-(58 TYR N) -55.2 -15.2 &rst iat = 908, 910, 916, 918, r1 = -56.2, r2 = -55.2, r3 = -15.2, r4 = -14.2, &end # 58 TYR PHI: (57 ALA C)-(58 TYR N)-(58 TYR CA)-(58 TYR C) -83.9 -43.9 &rst iat = 916, 918, 920, 937, r1 = -84.9, r2 = -83.9, r3 = -43.9, r4 = -42.9, &end # 58 TYR PSI: (58 TYR N)-(58 TYR CA)-(58 TYR C)-(59 ARG N) -65.0 -18.7 &rst iat = 918, 920, 937, 939, r1 = -66.0, r2 = -65.0, r3 = -18.7, r4 = -17.7, &end # 59 ARG PHI: (58 TYR C)-(59 ARG N)-(59 ARG CA)-(59 ARG C) -92.9 -47.9 &rst iat = 937, 939, 941, 961, r1 = -93.9, r2 = -92.9, r3 = -47.9, r4 = -46.9, &end # 59 ARG PSI: (59 ARG N)-(59 ARG CA)-(59 ARG C)-(60 ALA N) -58.0 -5.5 &rst iat = 939, 941, 961, 963, r1 = -59.0, r2 = -58.0, r3 = -5.5, r4 = -4.5, &end # 61 LEU PHI: (60 ALA C)-(61 LEU N)-(61 LEU CA)-(61 LEU C) -78.9 -35.9 &rst iat = 971, 973, 975, 990, r1 = -79.9, r2 = -78.9, r3 = -35.9, r4 = -34.9, &end # 61 LEU PSI: (61 LEU N)-(61 LEU CA)-(61 LEU C)-(62 ASP N) -63.4 -15.4 &rst iat = 973, 975, 990, 992, r1 = -64.4, r2 = -63.4, r3 = -15.4, r4 = -14.4, &end # 62 ASP PHI: (61 LEU C)-(62 ASP N)-(62 ASP CA)-(62 ASP C) -89.2 -49.2 &rst iat = 990, 992, 994, 1002, r1 = -90.2, r2 = -89.2, r3 = -49.2, r4 = -48.2, &end # 62 ASP PSI: (62 ASP N)-(62 ASP CA)-(62 ASP C)-(63 SER N) -51.6 1.7 &rst iat = 992, 994, 1002, 1004, r1 = -52.6, r2 = -51.6, r3 = 1.7, r4 = 2.7, &end # 63 SER PHI: (62 ASP C)-(63 SER N)-(63 SER CA)-(63 SER C) -114.7 -70.0 &rst iat = 1002, 1004, 1006, 1013, r1 = -115.7, r2 = -114.7, r3 = -70.0, r4 = -69.0, &end # 63 SER PSI: (63 SER N)-(63 SER CA)-(63 SER C)-(64 PHE N) -35.8 12.5 &rst iat = 1004, 1006, 1013, 1015, r1 = -36.8, r2 = -35.8, r3 = 12.5, r4 = 13.5, &end # 64 PHE PHI: (63 SER C)-(64 PHE N)-(64 PHE CA)-(64 PHE C) -115.4 -54.4 &rst iat = 1013, 1015, 1017, 1033, r1 = -116.4, r2 = -115.4, r3 = -54.4, r4 = -53.4, &end # 64 PHE PSI: (64 PHE N)-(64 PHE CA)-(64 PHE C)-(65 ARG N) 67.7 166.1 &rst iat = 1015, 1017, 1033, 1035, r1 = 66.7, r2 = 67.7, r3 = 166.1, r4 = 167.1, &end # 65 ARG PHI: (64 PHE C)-(65 ARG N)-(65 ARG CA)-(65 ARG C) -99.1 -40.8 &rst iat = 1033, 1035, 1037, 1057, r1 = -100.1, r2 = -99.1, r3 = -40.8, r4 = -39.8, &end # 65 ARG PSI: (65 ARG N)-(65 ARG CA)-(65 ARG C)-(66 GLY N) -63.9 6.2 &rst iat = 1035, 1037, 1057, 1059, r1 = -64.9, r2 = -63.9, r3 = 6.2, r4 = 7.2, &end # 67 ASP PHI: (66 GLY C)-(67 ASP N)-(67 ASP CA)-(67 ASP C) -102.6 -62.6 &rst iat = 1064, 1066, 1068, 1076, r1 = -103.6, r2 = -102.6, r3 = -62.6, r4 = -61.6, &end # 67 ASP PSI: (67 ASP N)-(67 ASP CA)-(67 ASP C)-(68 SER N) -55.7 9.4 &rst iat = 1066, 1068, 1076, 1078, r1 = -56.7, r2 = -55.7, r3 = 9.4, r4 = 10.4, &end # 69 ALA PHI: (68 SER C)-(69 ALA N)-(69 ALA CA)-(69 ALA C) -142.2 -24.5 &rst iat = 1087, 1089, 1091, 1097, r1 = -143.2, r2 = -142.2, r3 = -24.5, r4 = -23.5, &end # 69 ALA PSI: (69 ALA N)-(69 ALA CA)-(69 ALA C)-(70 PHE N) 56.0 196.0 &rst iat = 1089, 1091, 1097, 1099, r1 = 55.0, r2 = 56.0, r3 = 196.0, r4 = 197.0, &end # 70 PHE PHI: (69 ALA C)-(70 PHE N)-(70 PHE CA)-(70 PHE C) -73.8 -33.8 &rst iat = 1097, 1099, 1101, 1117, r1 = -74.8, r2 = -73.8, r3 = -33.8, r4 = -32.8, &end # 70 PHE PSI: (70 PHE N)-(70 PHE CA)-(70 PHE C)-(71 TYR N) -76.8 -16.9 &rst iat = 1099, 1101, 1117, 1119, r1 = -77.8, r2 = -76.8, r3 = -16.9, r4 = -15.9, &end # 71 TYR PHI: (70 PHE C)-(71 TYR N)-(71 TYR CA)-(71 TYR C) -82.5 -42.5 &rst iat = 1117, 1119, 1121, 1138, r1 = -83.5, r2 = -82.5, r3 = -42.5, r4 = -41.5, &end # 71 TYR PSI: (71 TYR N)-(71 TYR CA)-(71 TYR C)-(72 THR N) -62.1 -16.1 &rst iat = 1119, 1121, 1138, 1140, r1 = -63.1, r2 = -62.1, r3 = -16.1, r4 = -15.1, &end # 72 THR PHI: (71 TYR C)-(72 THR N)-(72 THR CA)-(72 THR C) -84.5 -44.5 &rst iat = 1138, 1140, 1142, 1152, r1 = -85.5, r2 = -84.5, r3 = -44.5, r4 = -43.5, &end # 72 THR PSI: (72 THR N)-(72 THR CA)-(72 THR C)-(73 TRP N) -62.8 -22.8 &rst iat = 1140, 1142, 1152, 1154, r1 = -63.8, r2 = -62.8, r3 = -22.8, r4 = -21.8, &end # 73 TRP PHI: (72 THR C)-(73 TRP N)-(73 TRP CA)-(73 TRP C) -81.9 -40.9 &rst iat = 1152, 1154, 1156, 1176, r1 = -82.9, r2 = -81.9, r3 = -40.9, r4 = -39.9, &end # 73 TRP PSI: (73 TRP N)-(73 TRP CA)-(73 TRP C)-(74 LEU N) -65.2 -25.2 &rst iat = 1154, 1156, 1176, 1178, r1 = -66.2, r2 = -65.2, r3 = -25.2, r4 = -24.2, &end # 74 LEU PHI: (73 TRP C)-(74 LEU N)-(74 LEU CA)-(74 LEU C) -83.9 -43.9 &rst iat = 1176, 1178, 1180, 1195, r1 = -84.9, r2 = -83.9, r3 = -43.9, r4 = -42.9, &end # 74 LEU PSI: (74 LEU N)-(74 LEU CA)-(74 LEU C)-(75 TYR N) -59.2 -19.2 &rst iat = 1178, 1180, 1195, 1197, r1 = -60.2, r2 = -59.2, r3 = -19.2, r4 = -18.2, &end # 75 TYR PHI: (74 LEU C)-(75 TYR N)-(75 TYR CA)-(75 TYR C) -85.0 -45.0 &rst iat = 1195, 1197, 1199, 1216, r1 = -86.0, r2 = -85.0, r3 = -45.0, r4 = -44.0, &end # 75 TYR PSI: (75 TYR N)-(75 TYR CA)-(75 TYR C)-(76 ARG N) -58.3 -17.9 &rst iat = 1197, 1199, 1216, 1218, r1 = -59.3, r2 = -58.3, r3 = -17.9, r4 = -16.9, &end # 76 ARG PHI: (75 TYR C)-(76 ARG N)-(76 ARG CA)-(76 ARG C) -87.3 -47.3 &rst iat = 1216, 1218, 1220, 1240, r1 = -88.3, r2 = -87.3, r3 = -47.3, r4 = -46.3, &end # 76 ARG PSI: (76 ARG N)-(76 ARG CA)-(76 ARG C)-(77 ILE N) -54.6 -14.6 &rst iat = 1218, 1220, 1240, 1242, r1 = -55.6, r2 = -54.6, r3 = -14.6, r4 = -13.6, &end # 77 ILE PHI: (76 ARG C)-(77 ILE N)-(77 ILE CA)-(77 ILE C) -83.7 -43.7 &rst iat = 1240, 1242, 1244, 1259, r1 = -84.7, r2 = -83.7, r3 = -43.7, r4 = -42.7, &end # 77 ILE PSI: (77 ILE N)-(77 ILE CA)-(77 ILE C)-(78 ALA N) -60.6 -20.6 &rst iat = 1242, 1244, 1259, 1261, r1 = -61.6, r2 = -60.6, r3 = -20.6, r4 = -19.6, &end # 78 ALA PHI: (77 ILE C)-(78 ALA N)-(78 ALA CA)-(78 ALA C) -83.1 -43.1 &rst iat = 1259, 1261, 1263, 1269, r1 = -84.1, r2 = -83.1, r3 = -43.1, r4 = -42.1, &end # 78 ALA PSI: (78 ALA N)-(78 ALA CA)-(78 ALA C)-(79 VAL N) -59.6 -19.6 &rst iat = 1261, 1263, 1269, 1271, r1 = -60.6, r2 = -59.6, r3 = -19.6, r4 = -18.6, &end # 79 VAL PHI: (78 ALA C)-(79 VAL N)-(79 VAL CA)-(79 VAL C) -83.3 -43.3 &rst iat = 1269, 1271, 1273, 1285, r1 = -84.3, r2 = -83.3, r3 = -43.3, r4 = -42.3, &end # 79 VAL PSI: (79 VAL N)-(79 VAL CA)-(79 VAL C)-(80 ASN N) -65.0 -25.0 &rst iat = 1271, 1273, 1285, 1287, r1 = -66.0, r2 = -65.0, r3 = -25.0, r4 = -24.0, &end # 80 ASN PHI: (79 VAL C)-(80 ASN N)-(80 ASN CA)-(80 ASN C) -83.0 -43.0 &rst iat = 1285, 1287, 1289, 1299, r1 = -84.0, r2 = -83.0, r3 = -43.0, r4 = -42.0, &end # 80 ASN PSI: (80 ASN N)-(80 ASN CA)-(80 ASN C)-(81 THR N) -57.4 -17.0 &rst iat = 1287, 1289, 1299, 1301, r1 = -58.4, r2 = -57.4, r3 = -17.0, r4 = -16.0, &end # 81 THR PHI: (80 ASN C)-(81 THR N)-(81 THR CA)-(81 THR C) -87.8 -47.8 &rst iat = 1299, 1301, 1303, 1313, r1 = -88.8, r2 = -87.8, r3 = -47.8, r4 = -46.8, &end # 81 THR PSI: (81 THR N)-(81 THR CA)-(81 THR C)-(82 ALA N) -60.1 -20.1 &rst iat = 1301, 1303, 1313, 1315, r1 = -61.1, r2 = -60.1, r3 = -20.1, r4 = -19.1, &end # 82 ALA PHI: (81 THR C)-(82 ALA N)-(82 ALA CA)-(82 ALA C) -84.1 -44.1 &rst iat = 1313, 1315, 1317, 1323, r1 = -85.1, r2 = -84.1, r3 = -44.1, r4 = -43.1, &end # 82 ALA PSI: (82 ALA N)-(82 ALA CA)-(82 ALA C)-(83 LYS N) -62.3 -22.3 &rst iat = 1315, 1317, 1323, 1325, r1 = -63.3, r2 = -62.3, r3 = -22.3, r4 = -21.3, &end # 83 LYS PHI: (82 ALA C)-(83 LYS N)-(83 LYS CA)-(83 LYS C) -84.9 -42.4 &rst iat = 1323, 1325, 1327, 1345, r1 = -85.9, r2 = -84.9, r3 = -42.4, r4 = -41.4, &end # 83 LYS PSI: (83 LYS N)-(83 LYS CA)-(83 LYS C)-(84 ASN N) -62.6 -18.1 &rst iat = 1325, 1327, 1345, 1347, r1 = -63.6, r2 = -62.6, r3 = -18.1, r4 = -17.1, &end # 84 ASN PHI: (83 LYS C)-(84 ASN N)-(84 ASN CA)-(84 ASN C) -86.3 -46.3 &rst iat = 1345, 1347, 1349, 1359, r1 = -87.3, r2 = -86.3, r3 = -46.3, r4 = -45.3, &end # 84 ASN PSI: (84 ASN N)-(84 ASN CA)-(84 ASN C)-(85 TYR N) -57.7 -17.0 &rst iat = 1347, 1349, 1359, 1361, r1 = -58.7, r2 = -57.7, r3 = -17.0, r4 = -16.0, &end # 85 TYR PHI: (84 ASN C)-(85 TYR N)-(85 TYR CA)-(85 TYR C) -83.6 -43.6 &rst iat = 1359, 1361, 1363, 1380, r1 = -84.6, r2 = -83.6, r3 = -43.6, r4 = -42.6, &end # 85 TYR PSI: (85 TYR N)-(85 TYR CA)-(85 TYR C)-(86 LEU N) -64.5 -24.5 &rst iat = 1361, 1363, 1380, 1382, r1 = -65.5, r2 = -64.5, r3 = -24.5, r4 = -23.5, &end # 86 LEU PHI: (85 TYR C)-(86 LEU N)-(86 LEU CA)-(86 LEU C) -82.1 -42.1 &rst iat = 1380, 1382, 1384, 1399, r1 = -83.1, r2 = -82.1, r3 = -42.1, r4 = -41.1, &end # 86 LEU PSI: (86 LEU N)-(86 LEU CA)-(86 LEU C)-(87 VAL N) -56.5 -16.5 &rst iat = 1382, 1384, 1399, 1401, r1 = -57.5, r2 = -56.5, r3 = -16.5, r4 = -15.5, &end # 87 VAL PHI: (86 LEU C)-(87 VAL N)-(87 VAL CA)-(87 VAL C) -101.8 -55.0 &rst iat = 1399, 1401, 1403, 1415, r1 = -102.8, r2 = -101.8, r3 = -55.0, r4 = -54.0, &end # 87 VAL PSI: (87 VAL N)-(87 VAL CA)-(87 VAL C)-(88 ALA N) -55.1 -15.1 &rst iat = 1401, 1403, 1415, 1417, r1 = -56.1, r2 = -55.1, r3 = -15.1, r4 = -14.1, &end # 88 ALA PHI: (87 VAL C)-(88 ALA N)-(88 ALA CA)-(88 ALA C) -82.9 -42.9 &rst iat = 1415, 1417, 1419, 1425, r1 = -83.9, r2 = -82.9, r3 = -42.9, r4 = -41.9, &end # 88 ALA PSI: (88 ALA N)-(88 ALA CA)-(88 ALA C)-(89 GLN N) -65.4 -1.6 &rst iat = 1417, 1419, 1425, 1427, r1 = -66.4, r2 = -65.4, r3 = -1.6, r4 = -0.6, &end # 89 GLN PHI: (88 ALA C)-(89 GLN N)-(89 GLN CA)-(89 GLN C) -118.4 -50.8 &rst iat = 1425, 1427, 1429, 1442, r1 = -119.4, r2 = -118.4, r3 = -50.8, r4 = -49.8, &end # 89 GLN PSI: (89 GLN N)-(89 GLN CA)-(89 GLN C)-(90 GLY N) -53.4 22.5 &rst iat = 1427, 1429, 1442, 1444, r1 = -54.4, r2 = -53.4, r3 = 22.5, r4 = 23.5, &end # 91 ARG PHI: (90 GLY C)-(91 ARG N)-(91 ARG CA)-(91 ARG C) -156.5 -16.5 &rst iat = 1449, 1451, 1453, 1473, r1 = -157.5, r2 = -156.5, r3 = -16.5, r4 = -15.5, &end # 97 THY DELTA: (97 DT5 C5')-(97 DT5 C4')-(97 DT5 C3')-(97 DT5 O3') 130.0 190.0 &rst iat = 1571, 1574, 1593, 1598, r1 = 129.0, r2 = 130.0, r3 = 190.0, r4 = 191.0, &end # 98 GUA DELTA: (98 DG C5')-(98 DG C4')-(98 DG C3')-(98 DG O3') 130.0 190.0 &rst iat = 1603, 1606, 1626, 1631, r1 = 129.0, r2 = 130.0, r3 = 190.0, r4 = 191.0, &end # 99 THY DELTA: (99 DT C5')-(99 DT C4')-(99 DT C3')-(99 DT O3') 130.0 190.0 &rst iat = 1636, 1639, 1658, 1663, r1 = 129.0, r2 = 130.0, r3 = 190.0, r4 = 191.0, &end # 100 CYT DELTA: (100 DC C5')-(100 DC C4')-(100 DC C3')-(100 DC O3') 130.0 190.0 &rst iat = 1668, 1671, 1688, 1693, r1 = 129.0, r2 = 130.0, r3 = 190.0, r4 = 191.0, &end # 101 ADE DELTA: (101 DA C5')-(101 DA C4')-(101 DA C3')-(101 DA O3') 130.0 190.0 &rst iat = 1698, 1701, 1720, 1725, r1 = 129.0, r2 = 130.0, r3 = 190.0, r4 = 191.0, &end # 102 ADE DELTA: (102 DA C5')-(102 DA C4')-(102 DA C3')-(102 DA O3') 130.0 190.0 &rst iat = 1730, 1733, 1752, 1757, r1 = 129.0, r2 = 130.0, r3 = 190.0, r4 = 191.0, &end # 103 ADE DELTA: (103 DA3 C5')-(103 DA3 C4')-(103 DA3 C3')-(103 DA3 O3') 130.0 190.0 &rst iat = 1762, 1765, 1784, 1789, r1 = 129.0, r2 = 130.0, r3 = 190.0, r4 = 191.0, &end #
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