NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
608156 | 5hqq | 30016 | cing | 1-original | 3 | AMBER | dihedral angle |
# WC - angles # # #(1 DC C4)-(1 DC N4)-(22 DG O6)-(22 DG C6) -10.0 10.0 &rst iat = 16, 17, 667, 666, r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0, rk2 = 50.0, rk3 = 50.0, / #(1 DC C2)-(1 DC N3)-(22 DG N1)-(22 DG C2) -10.0 10.0 &rst iat = 21, 20, 668, 670, r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0, / #(1 DC C2)-(1 DC O2)-(22 DG N2)-(22 DG C2) -10.0 10.0 &rst iat = 21, 22, 671, 670, r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0, / #(11 DC C4)-(11 DC N4)-(12 DG O6)-(12 DG C6) -10.0 10.0 &rst iat = 314, 315, 344, 343, r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0, / #(11 DC C2)-(11 DC N3)-(12 DG N1)-(12 DG C2) -10.0 10.0 &rst iat = 319, 318, 345, 347, r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0, / #(11 DC C2)-(11 DC O2)-(12 DG N2)-(12 DG C2) -10.0 10.0 &rst iat = 319, 320, 348, 347, r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0, / #(2 DG C6)-(2 DG 06)-(21 DC N4)-(21 DC C4) -10.0 10.0 &rst iat = 46, 47, 637, 636, r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0, rk2 = 32.0, rk3 = 32.0, / #(2 DG C2)-(2 DG N1)-(21 DC N3)-(21 DC C2) -10.0 10.0 &rst iat = 50, 48, 640, 641, r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0, / #(2 DG C2)-(2 DG N2)-(21 DC O2)-(21 DC C2) -10.0 10.0 &rst iat = 50, 51, 642, 641, r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0, / #(4 DT C4)-(4 DT O4)-(19 DA N6)-(19 DA C6) -10.0 10.0 &rst iat = 112, 113, 572, 571, r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0, / #(4 DT C2)-(4 DT N3)-(19 DA N1)-(19 DA C2) -10.0 10.0 &rst iat = 116, 114, 575, 576, r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0, / #(15 DT C4)-(15 DT O4)-(8 DA N6)-(8 DA C6) -10.0 10.0 &rst iat = 443, 444, 220, 219, r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0, / #(15 DT C2)-(15 DT N3)-(8 DA N1)-(8 DA C2) -10.0 10.0 &rst iat = 447, 445, 223, 224, r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0, / #(3 DC C4)-(3 DC N4)-(20 DG O6)-(20 DG C6) -10.0 10.0 &rst iat = 79, 80, 604, 603, r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0, / #(3 DC C2)-(3 DC N3)-(20 DG N1)-(20 DG C2) -10.0 10.0 &rst iat = 84, 83, 605, 607, r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0, / #(3 DC C2)-(3 DC O2)-(20 DG N2)-(20 DG C2) -10.0 10.0 &rst iat = 84, 85, 608, 607, r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0, / #(10 DG C6)-(10 DG 06)-(13 DC N4)-(13 DC C4) -10.0 10.0 &rst iat = 281, 282, 377, 376, r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0, / #(10 DG C2)-(10 DG N1)-(13 DC N3)-(13 DC C2) -10.0 10.0 &rst iat = 285, 289, 380, 381, r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0, / #(10 DG C2)-(10 DG N2)-(13 DC O2)-(13 DC C2) -10.0 10.0 &rst iat = 285, 286, 382, 381, r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0, / # # P-VALUES # # 702 atoms read from pdb file ribG14.pdb. # 1 CYT NU0: (1 DC5 C4')-(1 DC5 O4')-(1 DC5 C1')-(1 DC5 C2') -50.4 -20.4 &rst iat = 6, 8, 9, 25, r1 = -51.4, r2 = -50.4, r3 = -20.4, r4 = -19.4, rk2 = 32.0, rk3 = 32.0, &end # 1 CYT NU1: (1 DC5 O4')-(1 DC5 C1')-(1 DC5 C2')-(1 DC5 C3') 10.1 40.1 &rst iat = 8, 9, 25, 23, r1 = 9.1, r2 = 10.1, r3 = 40.1, r4 = 41.1, &end # 1 CYT NU2: (1 DC5 C1')-(1 DC5 C2')-(1 DC5 C3')-(1 DC5 C4') -22.1 10.0 &rst iat = 9, 25, 23, 6, r1 = -23.1, r2 = -22.1, r3 = 10.0, r4 = 11.0, &end # 1 CYT NU3: (1 DC5 C2')-(1 DC5 C3')-(1 DC5 C4')-(1 DC5 O4') -30.3 -0.3 &rst iat = 25, 23, 6, 8, r1 = -31.3, r2 = -30.3, r3 = -0.3, r4 = 0.7, &end # 1 CYT NU4: (1 DC5 C3')-(1 DC5 C4')-(1 DC5 O4')-(1 DC5 C1') 15.8 45.8 &rst iat = 23, 6, 8, 9, r1 = 14.8, r2 = 15.8, r3 = 45.8, r4 = 46.8, &end # 2 GUA NU0: (2 DG C4')-(2 DG O4')-(2 DG C1')-(2 DG C2') -43.9 -13.9 &rst iat = 36, 38, 39, 58, r1 = -44.9, r2 = -43.9, r3 = -13.9, r4 = -12.9, &end # 2 GUA NU1: (2 DG O4')-(2 DG C1')-(2 DG C2')-(2 DG C3') 22.2 52.2 &rst iat = 38, 39, 58, 56, r1 = 21.2, r2 = 22.2, r3 = 52.2, r4 = 53.2, &end # 2 GUA NU2: (2 DG C1')-(2 DG C2')-(2 DG C3')-(2 DG C4') -44.6 -14.6 &rst iat = 39, 58, 56, 36, r1 = -45.6, r2 = -44.6, r3 = -14.6, r4 = -13.6, &end # 2 GUA NU3: (2 DG C2')-(2 DG C3')-(2 DG C4')-(2 DG O4') -3.2 26.8 &rst iat = 58, 56, 36, 38, r1 = -4.2, r2 = -3.2, r3 = 26.8, r4 = 27.8, &end # 2 GUA NU4: (2 DG C3')-(2 DG C4')-(2 DG O4')-(2 DG C1') -4.4 25.6 &rst iat = 56, 36, 38, 39, r1 = -5.4, r2 = -4.4, r3 = 25.6, r4 = 26.6, &end # 3 CYT NU0: (3 DC C4')-(3 DC O4')-(3 DC C1')-(3 DC C2') -52.6 -22.6 &rst iat = 69, 71, 72, 88, r1 = -53.6, r2 = -52.6, r3 = -22.6, r4 = -21.6, &end # 3 CYT NU1: (3 DC O4')-(3 DC C1')-(3 DC C2')-(3 DC C3') 14.5 44.5 &rst iat = 71, 72, 88, 86, r1 = 13.5, r2 = 14.5, r3 = 44.5, r4 = 45.5, &end # 3 CYT NU2: (3 DC C1')-(3 DC C2')-(3 DC C3')-(3 DC C4') -26.0 4.0 &rst iat = 72, 88, 86, 69, r1 = -27.0, r2 = -26.0, r3 = 4.0, r4 = 5.0, &end # 3 CYT NU3: (3 DC C2')-(3 DC C3')-(3 DC C4')-(3 DC O4') -26.7 3.3 &rst iat = 88, 86, 69, 71, r1 = -27.7, r2 = -26.7, r3 = 3.3, r4 = 4.3, &end # 3 CYT NU4: (3 DC C3')-(3 DC C4')-(3 DC O4')-(3 DC C1') 14.9 44.9 &rst iat = 86, 69, 71, 72, r1 = 13.9, r2 = 14.9, r3 = 44.9, r4 = 45.9, &end # 4 THY NU0: (4 DT C4')-(4 DT O4')-(4 DT C1')-(4 DT C2') -52.6 -22.6 &rst iat = 99, 101, 102, 120, r1 = -53.6, r2 = -52.6, r3 = -22.6, r4 = -21.6, &end # 4 THY NU1: (4 DT O4')-(4 DT C1')-(4 DT C2')-(4 DT C3') 14.5 44.5 &rst iat = 101, 102, 120, 118, r1 = 13.5, r2 = 14.5, r3 = 44.5, r4 = 45.5, &end # 4 THY NU2: (4 DT C1')-(4 DT C2')-(4 DT C3')-(4 DT C4') -26.0 4.0 &rst iat = 102, 120, 118, 99, r1 = -27.0, r2 = -26.0, r3 = 4.0, r4 = 5.0, &end # 4 THY NU3: (4 DT C2')-(4 DT C3')-(4 DT C4')-(4 DT O4') -26.7 3.3 &rst iat = 120, 118, 99, 101, r1 = -27.7, r2 = -26.7, r3 = 3.3, r4 = 4.3, &end # 4 THY NU4: (4 DT C3')-(4 DT C4')-(4 DT O4')-(4 DT C1') 14.9 44.9 &rst iat = 118, 99, 101, 102, r1 = 13.9, r2 = 14.9, r3 = 44.9, r4 = 45.9, &end # 5 CYT NU0: (5 DC C4')-(5 DC O4')-(5 DC C1')-(5 DC C2') -44.7 -14.7 &rst iat = 131, 133, 134, 150, r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7, &end # 5 CYT NU1: (5 DC O4')-(5 DC C1')-(5 DC C2')-(5 DC C3') 15.6 45.6 &rst iat = 133, 134, 150, 148, r1 = 14.6, r2 = 15.6, r3 = 45.6, r4 = 46.6, &end # 5 CYT NU2: (5 DC C1')-(5 DC C2')-(5 DC C3')-(5 DC C4') -37.2 0.0 &rst iat = 134, 150, 148, 131, r1 = -38.2, r2 = -37.2, r3 = 0.0, r4 = 1.0, &end # 5 CYT NU3: (5 DC C2')-(5 DC C3')-(5 DC C4')-(5 DC O4') -22.6 24.2 &rst iat = 150, 148, 131, 133, r1 = -23.6, r2 = -22.6, r3 = 24.2, r4 = 25.2, &end # 5 CYT NU4: (5 DC C3')-(5 DC C4')-(5 DC O4')-(5 DC C1') -1.9 36.6 &rst iat = 148, 131, 133, 134, r1 = -2.9, r2 = -1.9, r3 = 36.6, r4 = 37.6, &end # 6 CYT NU0: (6 DC C4')-(6 DC O4')-(6 DC C1')-(6 DC C2') -50.4 -20.4 &rst iat = 162, 164, 165, 167, r1 = -51.4, r2 = -50.4, r3 = -20.4, r4 = -19.4, &end # 6 CYT NU1: (6 DC O4')-(6 DC C1')-(6 DC C2')-(6 DC C3') 10.1 40.1 &rst iat = 164, 165, 167, 170, r1 = 9.1, r2 = 10.1, r3 = 40.1, r4 = 41.1, &end # 6 CYT NU2: (6 DC C1')-(6 DC C2')-(6 DC C3')-(6 DC C4') -22.1 10.0 &rst iat = 165, 167, 170, 162, r1 = -23.1, r2 = -22.1, r3 = 10.0, r4 = 11.0, &end # 6 CYT NU3: (6 DC C2')-(6 DC C3')-(6 DC C4')-(6 DC O4') -30.3 -0.3 &rst iat = 167, 170, 162, 164, r1 = -31.3, r2 = -30.3, r3 = -0.3, r4 = 0.7, &end # 6 CYT NU4: (6 DC C3')-(6 DC C4')-(6 DC O4')-(6 DC C1') 15.8 45.8 &rst iat = 170, 162, 164, 165, r1 = 14.8, r2 = 15.8, r3 = 45.8, r4 = 46.8, &end # 7 CYT NU0: (7 DC C4')-(7 DC O4')-(7 DC C1')-(7 DC C2') -52.6 -22.6 &rst iat = 179, 181, 182, 198, r1 = -53.6, r2 = -52.6, r3 = -22.6, r4 = -21.6, &end # 7 CYT NU1: (7 DC O4')-(7 DC C1')-(7 DC C2')-(7 DC C3') 14.5 44.5 &rst iat = 181, 182, 198, 196, r1 = 13.5, r2 = 14.5, r3 = 44.5, r4 = 45.5, &end # 7 CYT NU2: (7 DC C1')-(7 DC C2')-(7 DC C3')-(7 DC C4') -26.0 4.0 &rst iat = 182, 198, 196, 179, r1 = -27.0, r2 = -26.0, r3 = 4.0, r4 = 5.0, &end # 7 CYT NU3: (7 DC C2')-(7 DC C3')-(7 DC C4')-(7 DC O4') -26.7 3.3 &rst iat = 198, 196, 179, 181, r1 = -27.7, r2 = -26.7, r3 = 3.3, r4 = 4.3, &end # 7 CYT NU4: (7 DC C3')-(7 DC C4')-(7 DC O4')-(7 DC C1') 14.9 44.9 &rst iat = 196, 179, 181, 182, r1 = 13.9, r2 = 14.9, r3 = 44.9, r4 = 45.9, &end # 8 ADE NU0: (8 DA C4')-(8 DA O4')-(8 DA C1')-(8 DA C2') -43.9 -13.9 &rst iat = 209, 211, 212, 230, r1 = -44.9, r2 = -43.9, r3 = -13.9, r4 = -12.9, &end # 8 ADE NU1: (8 DA O4')-(8 DA C1')-(8 DA C2')-(8 DA C3') 22.2 52.2 &rst iat = 211, 212, 230, 228, r1 = 21.2, r2 = 22.2, r3 = 52.2, r4 = 53.2, &end # 8 ADE NU2: (8 DA C1')-(8 DA C2')-(8 DA C3')-(8 DA C4') -44.6 -14.6 &rst iat = 212, 230, 228, 209, r1 = -45.6, r2 = -44.6, r3 = -14.6, r4 = -13.6, &end # 8 ADE NU3: (8 DA C2')-(8 DA C3')-(8 DA C4')-(8 DA O4') -3.2 26.8 &rst iat = 230, 228, 209, 211, r1 = -4.2, r2 = -3.2, r3 = 26.8, r4 = 27.8, &end # 8 ADE NU4: (8 DA C3')-(8 DA C4')-(8 DA O4')-(8 DA C1') -4.4 25.6 &rst iat = 228, 209, 211, 212, r1 = -5.4, r2 = -4.4, r3 = 25.6, r4 = 26.6, &end # 9 CYT NU0: (9 DC C4')-(9 DC O4')-(9 DC C1')-(9 DC C2') -50.2 -20.2 &rst iat = 241, 243, 244, 260, r1 = -51.2, r2 = -50.2, r3 = -20.2, r4 = -19.2, &end # 9 CYT NU1: (9 DC O4')-(9 DC C1')-(9 DC C2')-(9 DC C3') 5.7 35.7 &rst iat = 243, 244, 260, 258, r1 = 4.7, r2 = 5.7, r3 = 35.7, r4 = 36.7, &end # 9 CYT NU2: (9 DC C1')-(9 DC C2')-(9 DC C3')-(9 DC C4') -13.4 16.6 &rst iat = 244, 260, 258, 241, r1 = -14.4, r2 = -13.4, r3 = 16.6, r4 = 17.6, &end # 9 CYT NU3: (9 DC C2')-(9 DC C3')-(9 DC C4')-(9 DC O4') -38.4 -8.4 &rst iat = 260, 258, 241, 243, r1 = -39.4, r2 = -38.4, r3 = -8.4, r4 = -7.4, &end # 9 CYT NU4: (9 DC C3')-(9 DC C4')-(9 DC O4')-(9 DC C1') 21.2 51.2 &rst iat = 258, 241, 243, 244, r1 = 20.2, r2 = 21.2, r3 = 51.2, r4 = 52.2, &end # 10 GUA NU0: (10 DG C4')-(10 DG O4')-(10 DG C1')-(10 DG C2') -44.7 -14.7 &rst iat = 271, 273, 274, 293, r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7, &end # 10 GUA NU1: (10 DG O4')-(10 DG C1')-(10 DG C2')-(10 DG C3') 15.6 45.6 &rst iat = 273, 274, 293, 291, r1 = 14.6, r2 = 15.6, r3 = 45.6, r4 = 46.6, &end # 10 GUA NU2: (10 DG C1')-(10 DG C2')-(10 DG C3')-(10 DG C4') -37.2 0.0 &rst iat = 274, 293, 291, 271, r1 = -38.2, r2 = -37.2, r3 = 0.0, r4 = 1.0, &end # 10 GUA NU3: (10 DG C2')-(10 DG C3')-(10 DG C4')-(10 DG O4') -22.6 24.2 &rst iat = 293, 291, 271, 273, r1 = -23.6, r2 = -22.6, r3 = 24.2, r4 = 25.2, &end # 10 GUA NU4: (10 DG C3')-(10 DG C4')-(10 DG O4')-(10 DG C1') -1.9 36.6 &rst iat = 291, 271, 273, 274, r1 = -2.9, r2 = -1.9, r3 = 36.6, r4 = 37.6, &end # 11 CYT NU0: (11 DC3 C4')-(11 DC3 O4')-(11 DC3 C1')-(11 DC3 C2') -50.4 -20.4 &rst iat = 304, 306, 307, 323, r1 = -51.4, r2 = -50.4, r3 = -20.4, r4 = -19.4, &end # 11 CYT NU1: (11 DC3 O4')-(11 DC3 C1')-(11 DC3 C2')-(11 DC3 C3') 10.1 40.1 &rst iat = 306, 307, 323, 321, r1 = 9.1, r2 = 10.1, r3 = 40.1, r4 = 41.1, &end # 11 CYT NU2: (11 DC3 C1')-(11 DC3 C2')-(11 DC3 C3')-(11 DC3 C4') -22.1 10.0 &rst iat = 307, 323, 321, 304, r1 = -23.1, r2 = -22.1, r3 = 10.0, r4 = 11.0, &end # 11 CYT NU3: (11 DC3 C2')-(11 DC3 C3')-(11 DC3 C4')-(11 DC3 O4') -30.3 -0.3 &rst iat = 323, 321, 304, 306, r1 = -31.3, r2 = -30.3, r3 = -0.3, r4 = 0.7, &end # 11 CYT NU4: (11 DC3 C3')-(11 DC3 C4')-(11 DC3 O4')-(11 DC3 C1') 15.8 45.8 &rst iat = 321, 304, 306, 307, r1 = 14.8, r2 = 15.8, r3 = 45.8, r4 = 46.8, &end # 12 GUA NU0: (12 DG5 C4')-(12 DG5 O4')-(12 DG5 C1')-(12 DG5 C2') -50.4 -20.4 &rst iat = 333, 335, 336, 355, r1 = -51.4, r2 = -50.4, r3 = -20.4, r4 = -19.4, &end # 12 GUA NU1: (12 DG5 O4')-(12 DG5 C1')-(12 DG5 C2')-(12 DG5 C3') 10.1 40.1 &rst iat = 335, 336, 355, 353, r1 = 9.1, r2 = 10.1, r3 = 40.1, r4 = 41.1, &end # 12 GUA NU2: (12 DG5 C1')-(12 DG5 C2')-(12 DG5 C3')-(12 DG5 C4') -22.1 10.0 &rst iat = 336, 355, 353, 333, r1 = -23.1, r2 = -22.1, r3 = 10.0, r4 = 11.0, &end # 12 GUA NU3: (12 DG5 C2')-(12 DG5 C3')-(12 DG5 C4')-(12 DG5 O4') -30.3 -0.3 &rst iat = 355, 353, 333, 335, r1 = -31.3, r2 = -30.3, r3 = -0.3, r4 = 0.7, &end # 12 GUA NU4: (12 DG5 C3')-(12 DG5 C4')-(12 DG5 O4')-(12 DG5 C1') 15.8 45.8 &rst iat = 353, 333, 335, 336, r1 = 14.8, r2 = 15.8, r3 = 45.8, r4 = 46.8, &end # 13 CYT NU0: (13 DC C4')-(13 DC O4')-(13 DC C1')-(13 DC C2') -43.9 -13.9 &rst iat = 366, 368, 369, 385, r1 = -44.9, r2 = -43.9, r3 = -13.9, r4 = -12.9, &end # 13 CYT NU1: (13 DC O4')-(13 DC C1')-(13 DC C2')-(13 DC C3') 22.2 52.2 &rst iat = 368, 369, 385, 383, r1 = 21.2, r2 = 22.2, r3 = 52.2, r4 = 53.2, &end # 13 CYT NU2: (13 DC C1')-(13 DC C2')-(13 DC C3')-(13 DC C4') -44.6 -14.6 &rst iat = 369, 385, 383, 366, r1 = -45.6, r2 = -44.6, r3 = -14.6, r4 = -13.6, &end # 13 CYT NU3: (13 DC C2')-(13 DC C3')-(13 DC C4')-(13 DC O4') -3.2 26.8 &rst iat = 385, 383, 366, 368, r1 = -4.2, r2 = -3.2, r3 = 26.8, r4 = 27.8, &end # 13 CYT NU4: (13 DC C3')-(13 DC C4')-(13 DC O4')-(13 DC C1') -4.4 25.6 &rst iat = 383, 366, 368, 369, r1 = -5.4, r2 = -4.4, r3 = 25.6, r4 = 26.6, &end # 14 GUA NU0: (14 DG C4')-(14 DG O4')-(14 DG C1')-(14 DG C2') -43.9 -13.9 &rst iat = 396, 398, 399, 419, r1 = -44.9, r2 = -43.9, r3 = -13.9, r4 = -12.9, &end # 14 GUA NU1: (14 DG O4')-(14 DG C1')-(14 DG C2')-(14 DG C3') 22.2 52.2 &rst iat = 398, 399, 419, 417, r1 = 21.2, r2 = 22.2, r3 = 52.2, r4 = 53.2, &end # 14 GUA NU2: (14 DG C1')-(14 DG C2')-(14 DG C3')-(14 DG C4') -44.6 -14.6 &rst iat = 399, 419, 417, 396, r1 = -45.6, r2 = -44.6, r3 = -14.6, r4 = -13.6, &end # 14 GUA NU3: (14 DG C2')-(14 DG C3')-(14 DG C4')-(14 DG O4') -3.2 26.8 &rst iat = 419, 417, 396, 398, r1 = -4.2, r2 = -3.2, r3 = 26.8, r4 = 27.8, &end # 14 GUA NU4: (14 DG C3')-(14 DG C4')-(14 DG O4')-(14 DG C1') -4.4 25.6 &rst iat = 417, 396, 398, 399, r1 = -5.4, r2 = -4.4, r3 = 25.6, r4 = 26.6, &end # 15 THY NU0: (15 DT C4')-(15 DT O4')-(15 DT C1')-(15 DT C2') -44.7 -14.7 &rst iat = 430, 432, 433, 451, r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7, &end # 15 THY NU1: (15 DT O4')-(15 DT C1')-(15 DT C2')-(15 DT C3') 11.1 41.1 &rst iat = 432, 433, 451, 449, r1 = 10.1, r2 = 11.1, r3 = 41.1, r4 = 42.1, &end # 15 THY NU2: (15 DT C1')-(15 DT C2')-(15 DT C3')-(15 DT C4') -37.2 10.0 &rst iat = 433, 451, 449, 430, r1 = -38.2, r2 = -37.2, r3 = 10.0, r4 = 11.0, &end # 15 THY NU3: (15 DT C2')-(15 DT C3')-(15 DT C4')-(15 DT O4') -29.9 24.2 &rst iat = 451, 449, 430, 432, r1 = -30.9, r2 = -29.9, r3 = 24.2, r4 = 25.2, &end # 15 THY NU4: (15 DT C3')-(15 DT C4')-(15 DT O4')-(15 DT C1') -1.9 38.4 &rst iat = 449, 430, 432, 433, r1 = -2.9, r2 = -1.9, r3 = 38.4, r4 = 39.4, &end # 16 GUA NU0: (16 DG C4')-(16 DG O4')-(16 DG C1')-(16 DG C2') -44.7 -14.7 &rst iat = 462, 464, 465, 484, r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7, &end # 16 GUA NU1: (16 DG O4')-(16 DG C1')-(16 DG C2')-(16 DG C3') 15.6 45.6 &rst iat = 464, 465, 484, 482, r1 = 14.6, r2 = 15.6, r3 = 45.6, r4 = 46.6, &end # 16 GUA NU2: (16 DG C1')-(16 DG C2')-(16 DG C3')-(16 DG C4') -37.2 0.0 &rst iat = 465, 484, 482, 462, r1 = -38.2, r2 = -37.2, r3 = 0.0, r4 = 1.0, &end # 16 GUA NU3: (16 DG C2')-(16 DG C3')-(16 DG C4')-(16 DG O4') -22.6 24.2 &rst iat = 484, 482, 462, 464, r1 = -23.6, r2 = -22.6, r3 = 24.2, r4 = 25.2, &end # 16 GUA NU4: (16 DG C3')-(16 DG C4')-(16 DG O4')-(16 DG C1') -1.9 36.6 &rst iat = 482, 462, 464, 465, r1 = -2.9, r2 = -1.9, r3 = 36.6, r4 = 37.6, &end # 17 GUA NU0: (17 DG C4')-(17 DG O4')-(17 DG C1')-(17 DG C2') -44.7 -14.7 &rst iat = 495, 497, 498, 517, r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7, &end # 17 GUA NU1: (17 DG O4')-(17 DG C1')-(17 DG C2')-(17 DG C3') 15.6 45.6 &rst iat = 497, 498, 517, 515, r1 = 14.6, r2 = 15.6, r3 = 45.6, r4 = 46.6, &end # 17 GUA NU2: (17 DG C1')-(17 DG C2')-(17 DG C3')-(17 DG C4') -37.2 0.0 &rst iat = 498, 517, 515, 495, r1 = -38.2, r2 = -37.2, r3 = 0.0, r4 = 1.0, &end # 17 GUA NU3: (17 DG C2')-(17 DG C3')-(17 DG C4')-(17 DG O4') -22.6 24.2 &rst iat = 517, 515, 495, 497, r1 = -23.6, r2 = -22.6, r3 = 24.2, r4 = 25.2, &end # 17 GUA NU4: (17 DG C3')-(17 DG C4')-(17 DG O4')-(17 DG C1') -1.9 36.6 &rst iat = 515, 495, 497, 498, r1 = -2.9, r2 = -1.9, r3 = 36.6, r4 = 37.6, &end # 18 GUA NU0: (18 DG C4')-(18 DG O4')-(18 DG C1')-(18 DG C2') -43.9 -13.9 &rst iat = 528, 530, 531, 550, r1 = -44.9, r2 = -43.9, r3 = -13.9, r4 = -12.9, &end # 18 GUA NU1: (18 DG O4')-(18 DG C1')-(18 DG C2')-(18 DG C3') 22.2 52.2 &rst iat = 530, 531, 550, 548, r1 = 21.2, r2 = 22.2, r3 = 52.2, r4 = 53.2, &end # 18 GUA NU2: (18 DG C1')-(18 DG C2')-(18 DG C3')-(18 DG C4') -44.6 -14.6 &rst iat = 531, 550, 548, 528, r1 = -45.6, r2 = -44.6, r3 = -14.6, r4 = -13.6, &end # 18 GUA NU3: (18 DG C2')-(18 DG C3')-(18 DG C4')-(18 DG O4') -3.2 26.8 &rst iat = 550, 548, 528, 530, r1 = -4.2, r2 = -3.2, r3 = 26.8, r4 = 27.8, &end # 18 GUA NU4: (18 DG C3')-(18 DG C4')-(18 DG O4')-(18 DG C1') -4.4 25.6 &rst iat = 548, 528, 530, 531, r1 = -5.4, r2 = -4.4, r3 = 25.6, r4 = 26.6, &end # 19 ADE NU0: (19 DA C4')-(19 DA O4')-(19 DA C1')-(19 DA C2') -44.7 -14.7 &rst iat = 561, 563, 564, 582, r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7, &end # 19 ADE NU1: (19 DA O4')-(19 DA C1')-(19 DA C2')-(19 DA C3') 15.6 45.6 &rst iat = 563, 564, 582, 580, r1 = 14.6, r2 = 15.6, r3 = 45.6, r4 = 46.6, &end # 19 ADE NU2: (19 DA C1')-(19 DA C2')-(19 DA C3')-(19 DA C4') -37.2 0.0 &rst iat = 564, 582, 580, 561, r1 = -38.2, r2 = -37.2, r3 = 0.0, r4 = 1.0, &end # 19 ADE NU3: (19 DA C2')-(19 DA C3')-(19 DA C4')-(19 DA O4') -22.6 24.2 &rst iat = 582, 580, 561, 563, r1 = -23.6, r2 = -22.6, r3 = 24.2, r4 = 25.2, &end # 19 ADE NU4: (19 DA C3')-(19 DA C4')-(19 DA O4')-(19 DA C1') -1.9 36.6 &rst iat = 580, 561, 563, 564, r1 = -2.9, r2 = -1.9, r3 = 36.6, r4 = 37.6, &end # 20 GUA NU0: (20 DG C4')-(20 DG O4')-(20 DG C1')-(20 DG C2') -44.7 -14.7 &rst iat = 593, 595, 596, 615, r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7, &end # 20 GUA NU1: (20 DG O4')-(20 DG C1')-(20 DG C2')-(20 DG C3') 15.6 45.6 &rst iat = 595, 596, 615, 613, r1 = 14.6, r2 = 15.6, r3 = 45.6, r4 = 46.6, &end # 20 GUA NU2: (20 DG C1')-(20 DG C2')-(20 DG C3')-(20 DG C4') -37.2 0.0 &rst iat = 596, 615, 613, 593, r1 = -38.2, r2 = -37.2, r3 = 0.0, r4 = 1.0, &end # 20 GUA NU3: (20 DG C2')-(20 DG C3')-(20 DG C4')-(20 DG O4') -22.6 24.2 &rst iat = 615, 613, 593, 595, r1 = -23.6, r2 = -22.6, r3 = 24.2, r4 = 25.2, &end # 20 GUA NU4: (20 DG C3')-(20 DG C4')-(20 DG O4')-(20 DG C1') -1.9 36.6 &rst iat = 613, 593, 595, 596, r1 = -2.9, r2 = -1.9, r3 = 36.6, r4 = 37.6, &end # 21 CYT NU0: (21 DC C4')-(21 DC O4')-(21 DC C1')-(21 DC C2') -52.6 -22.6 &rst iat = 626, 628, 629, 645, r1 = -53.6, r2 = -52.6, r3 = -22.6, r4 = -21.6, &end # 21 CYT NU1: (21 DC O4')-(21 DC C1')-(21 DC C2')-(21 DC C3') 14.5 44.5 &rst iat = 628, 629, 645, 643, r1 = 13.5, r2 = 14.5, r3 = 44.5, r4 = 45.5, &end # 21 CYT NU2: (21 DC C1')-(21 DC C2')-(21 DC C3')-(21 DC C4') -26.0 4.0 &rst iat = 629, 645, 643, 626, r1 = -27.0, r2 = -26.0, r3 = 4.0, r4 = 5.0, &end # 21 CYT NU3: (21 DC C2')-(21 DC C3')-(21 DC C4')-(21 DC O4') -26.7 3.3 &rst iat = 645, 643, 626, 628, r1 = -27.7, r2 = -26.7, r3 = 3.3, r4 = 4.3, &end # 21 CYT NU4: (21 DC C3')-(21 DC C4')-(21 DC O4')-(21 DC C1') 14.9 44.9 &rst iat = 643, 626, 628, 629, r1 = 13.9, r2 = 14.9, r3 = 44.9, r4 = 45.9, &end # 22 GUA NU0: (22 DG3 C4')-(22 DG3 O4')-(22 DG3 C1')-(22 DG3 C2') -52.4 -22.4 &rst iat = 656, 658, 659, 678, r1 = -53.4, r2 = -52.4, r3 = -22.4, r4 = -21.4, &end # 22 GUA NU1: (22 DG3 O4')-(22 DG3 C1')-(22 DG3 C2')-(22 DG3 C3') 10.2 40.2 &rst iat = 658, 659, 678, 676, r1 = 9.2, r2 = 10.2, r3 = 40.2, r4 = 41.2, &end # 22 GUA NU2: (22 DG3 C1')-(22 DG3 C2')-(22 DG3 C3')-(22 DG3 C4') -18.3 11.7 &rst iat = 659, 678, 676, 656, r1 = -19.3, r2 = -18.3, r3 = 11.7, r4 = 12.7, &end # 22 GUA NU3: (22 DG3 C2')-(22 DG3 C3')-(22 DG3 C4')-(22 DG3 O4') -34.8 -4.8 &rst iat = 678, 676, 656, 658, r1 = -35.8, r2 = -34.8, r3 = -4.8, r4 = -3.8, &end # 22 GUA NU4: (22 DG3 C3')-(22 DG3 C4')-(22 DG3 O4')-(22 DG3 C1') 20.3 50.3 &rst iat = 676, 656, 658, 659, r1 = 19.3, r2 = 20.3, r3 = 50.3, r4 = 51.3, &end # # backbone # # 702 atoms read from pdb file ribG14.pdb. # 2 GUA ALPHA: (1 DC5 O3')-(2 DG P)-(2 DG O5')-(2 DG C5') -90.0 -30.0 &rst iat = 28, 29, 32, 33, r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0, rk2 = 15.0, rk3 = 15.0, &end # 3 CYT ALPHA: (2 DG O3')-(3 DC P)-(3 DC O5')-(3 DC C5') -90.0 -30.0 &rst iat = 61, 62, 65, 66, r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0, &end # 4 THY ALPHA: (3 DC O3')-(4 DT P)-(4 DT O5')-(4 DT C5') -90.0 -30.0 &rst iat = 91, 92, 95, 96, r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0, &end # 5 CYT ALPHA: (4 DT O3')-(5 DC P)-(5 DC O5')-(5 DC C5') -90.0 -30.0 &rst iat = 123, 124, 127, 128, r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0, &end # 7 CYT ALPHA: (6 DC O3')-(7 DC P)-(7 DC O5')-(7 DC C5') -90.0 -30.0 &rst iat = 154, 172, 175, 176, r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0, &end # 8 ADE ALPHA: (7 DC O3')-(8 DA P)-(8 DA O5')-(8 DA C5') -90.0 -30.0 &rst iat = 201, 202, 205, 206, r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0, &end # 9 CYT ALPHA: (8 DA O3')-(9 DC P)-(9 DC O5')-(9 DC C5') -90.0 -30.0 &rst iat = 233, 234, 237, 238, r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0, &end # 10 GUA ALPHA: (9 DC O3')-(10 DG P)-(10 DG O5')-(10 DG C5') -90.0 -30.0 &rst iat = 263, 264, 267, 268, r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0, &end # 11 CYT ALPHA: (10 DG O3')-(11 DC3 P)-(11 DC3 O5')-(11 DC3 C5') -90.0 -30.0 &rst iat = 296, 297, 300, 301, r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0, &end # 2 GUA BETA: (2 DG P)-(2 DG O5')-(2 DG C5')-(2 DG C4') 90.0 240.0 &rst iat = 29, 32, 33, 36, r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0, &end # 3 CYT BETA: (3 DC P)-(3 DC O5')-(3 DC C5')-(3 DC C4') 90.0 240.0 &rst iat = 62, 65, 66, 69, r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0, &end # 4 THY BETA: (4 DT P)-(4 DT O5')-(4 DT C5')-(4 DT C4') 90.0 240.0 &rst iat = 92, 95, 96, 99, r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0, &end # 5 CYT BETA: (5 DC P)-(5 DC O5')-(5 DC C5')-(5 DC C4') 90.0 240.0 &rst iat = 124, 127, 128, 131, r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0, &end # 7 CYT BETA: (7 DC P)-(7 DC O5')-(7 DC C5')-(7 DC C4') 90.0 240.0 &rst iat = 172, 175, 176, 179, r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0, &end # 8 ADE BETA: (8 DA P)-(8 DA O5')-(8 DA C5')-(8 DA C4') 90.0 240.0 &rst iat = 202, 205, 206, 209, r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0, &end # 9 CYT BETA: (9 DC P)-(9 DC O5')-(9 DC C5')-(9 DC C4') 90.0 240.0 &rst iat = 234, 237, 238, 241, r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0, &end # 10 GUA BETA: (10 DG P)-(10 DG O5')-(10 DG C5')-(10 DG C4') 90.0 240.0 &rst iat = 264, 267, 268, 271, r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0, &end # 11 CYT BETA: (11 DC3 P)-(11 DC3 O5')-(11 DC3 C5')-(11 DC3 C4') 90.0 240.0 &rst iat = 297, 300, 301, 304, r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0, &end # 2 GUA GAMMA: (2 DG O5')-(2 DG C5')-(2 DG C4')-(2 DG C3') 0.0 120.0 &rst iat = 32, 33, 36, 56, r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0, &end # 3 CYT GAMMA: (3 DC O5')-(3 DC C5')-(3 DC C4')-(3 DC C3') 0.0 120.0 &rst iat = 65, 66, 69, 86, r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0, &end # 4 THY GAMMA: (4 DT O5')-(4 DT C5')-(4 DT C4')-(4 DT C3') 0.0 120.0 &rst iat = 95, 96, 99, 118, r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0, &end # 5 CYT GAMMA: (5 DC O5')-(5 DC C5')-(5 DC C4')-(5 DC C3') 0.0 120.0 &rst iat = 127, 128, 131, 148, r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0, &end # 7 CYT GAMMA: (7 DC O5')-(7 DC C5')-(7 DC C4')-(7 DC C3') 0.0 120.0 &rst iat = 175, 176, 179, 196, r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0, &end # 8 ADE GAMMA: (8 DA O5')-(8 DA C5')-(8 DA C4')-(8 DA C3') 0.0 120.0 &rst iat = 205, 206, 209, 228, r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0, &end # 9 CYT GAMMA: (9 DC O5')-(9 DC C5')-(9 DC C4')-(9 DC C3') 0.0 120.0 &rst iat = 237, 238, 241, 258, r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0, &end # 10 GUA GAMMA: (10 DG O5')-(10 DG C5')-(10 DG C4')-(10 DG C3') 0.0 120.0 &rst iat = 267, 268, 271, 291, r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0, &end # 11 CYT GAMMA: (11 DC3 O5')-(11 DC3 C5')-(11 DC3 C4')-(11 DC3 C3') 0.0 120.0 &rst iat = 300, 301, 304, 321, r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0, &end # 1 CYT EPSILN: (1 DC5 C4')-(1 DC5 C3')-(1 DC5 O3')-(2 DG P) -240.0 10.0 &rst iat = 6, 23, 28, 29, r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0, &end # 2 GUA EPSILN: (2 DG C4')-(2 DG C3')-(2 DG O3')-(3 DC P) -240.0 10.0 &rst iat = 36, 56, 61, 62, r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0, &end # 3 CYT EPSILN: (3 DC C4')-(3 DC C3')-(3 DC O3')-(4 DT P) -240.0 10.0 &rst iat = 69, 86, 91, 92, r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0, &end # 4 THY EPSILN: (4 DT C4')-(4 DT C3')-(4 DT O3')-(5 DC P) -240.0 10.0 &rst iat = 99, 118, 123, 124, r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0, &end # 5 CYT EPSILN: (5 DC C4')-(5 DC C3')-(5 DC O3')-(6 DC P) -240.0 10.0 &rst iat = 131, 148, 153, 155, r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0, &end # 7 CYT EPSILN: (7 DC C4')-(7 DC C3')-(7 DC O3')-(8 DA P) -240.0 10.0 &rst iat = 179, 196, 201, 202, r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0, &end # 8 ADE EPSILN: (8 DA C4')-(8 DA C3')-(8 DA O3')-(9 DC P) -240.0 10.0 &rst iat = 209, 228, 233, 234, r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0, &end # 9 CYT EPSILN: (9 DC C4')-(9 DC C3')-(9 DC O3')-(10 DG P) -240.0 10.0 &rst iat = 241, 258, 263, 264, r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0, &end # 10 GUA EPSILN: (10 DG C4')-(10 DG C3')-(10 DG O3')-(11 DC3 P) -240.0 10.0 &rst iat = 271, 291, 296, 297, r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0, &end # 1 CYT ZETA: (1 DC5 C3')-(1 DC5 O3')-(2 DG P)-(2 DG O5') 150.0 315.0 &rst iat = 23, 28, 29, 32, r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0, &end # 2 GUA ZETA: (2 DG C3')-(2 DG O3')-(3 DC P)-(3 DC O5') 150.0 315.0 &rst iat = 56, 61, 62, 65, r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0, &end # 3 CYT ZETA: (3 DC C3')-(3 DC O3')-(4 DT P)-(4 DT O5') 150.0 315.0 &rst iat = 86, 91, 92, 95, r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0, &end # 4 THY ZETA: (4 DT C3')-(4 DT O3')-(5 DC P)-(5 DC O5') 150.0 315.0 &rst iat = 118, 123, 124, 127, r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0, &end # 5 CYT ZETA: (5 DC C3')-(5 DC O3')-(6 DC P)-(6 DC O5') 150.0 315.0 &rst iat = 148, 153, 155, 158, r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0, &end # 7 CYT ZETA: (7 DC C3')-(7 DC O3')-(8 DA P)-(8 DA O5') 150.0 315.0 &rst iat = 196, 201, 202, 205, r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0, &end # 8 ADE ZETA: (8 DA C3')-(8 DA O3')-(9 DC P)-(9 DC O5') 150.0 315.0 &rst iat = 228, 233, 234, 237, r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0, &end # 9 CYT ZETA: (9 DC C3')-(9 DC O3')-(10 DG P)-(10 DG O5') 150.0 315.0 &rst iat = 258, 263, 264, 267, r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0, &end # 10 GUA ZETA: (10 DG C3')-(10 DG O3')-(11 DC3 P)-(11 DC3 O5') 150.0 315.0 &rst iat = 291, 296, 297, 300, r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0, &end # 13 CYT ALPHA: (12 DG5 O3')-(13 DC P)-(13 DC O5')-(13 DC C5') -90.0 -30.0 &rst iat = 358, 359, 362, 363, r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0, &end # 20 GUA ALPHA: (19 DA O3')-(20 DG P)-(20 DG O5')-(20 DG C5') -90.0 -30.0 &rst iat = 585, 586, 589, 590, r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0, &end # 15 THY ALPHA: (14 DG O3')-(15 DT P)-(15 DT O5')-(15 DT C5') -90.0 -30.0 &rst iat = 422, 423, 426, 427, r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0, &end # 16 GUA ALPHA: (15 DT O3')-(16 DG P)-(16 DG O5')-(16 DG C5') -90.0 -30.0 &rst iat = 454, 455, 458, 459, r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0, &end # 18 GUA ALPHA: (17 DG O3')-(18 DG P)-(18 DG O5')-(18 DG C5') -90.0 -30.0 &rst iat = 520, 521, 524, 525, r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0, &end # 19 ADE ALPHA: (18 DG O3')-(19 DA P)-(19 DA O5')-(19 DA C5') -90.0 -30.0 &rst iat = 553, 554, 557, 558, r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0, &end # 21 CYT ALPHA: (20 DG O3')-(21 DC P)-(21 DC O5')-(21 DC C5') -90.0 -30.0 &rst iat = 618, 619, 622, 623, r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0, &end # 22 GUA ALPHA: (21 DC O3')-(22 DG3 P)-(22 DG3 O5')-(22 DG3 C5') -90.0 -30.0 &rst iat = 648, 649, 652, 653, r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0, &end # 13 CYT BETA: (13 DC P)-(13 DC O5')-(13 DC C5')-(13 DC C4') 90.0 240.0 &rst iat = 359, 362, 363, 366, r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0, &end # 20 GUA BETA: (20 DG P)-(20 DG O5')-(20 DG C5')-(20 DG C4') 90.0 240.0 &rst iat = 586, 589, 590, 593, r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0, &end # 15 THY BETA: (15 DT P)-(15 DT O5')-(15 DT C5')-(15 DT C4') 90.0 240.0 &rst iat = 423, 426, 427, 430, r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0, &end # 16 GUA BETA: (16 DG P)-(16 DG O5')-(16 DG C5')-(16 DG C4') 90.0 240.0 &rst iat = 455, 458, 459, 462, r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0, &end # 18 GUA BETA: (18 DG P)-(18 DG O5')-(18 DG C5')-(18 DG C4') 90.0 240.0 &rst iat = 521, 524, 525, 528, r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0, &end # 19 ADE BETA: (19 DA P)-(19 DA O5')-(19 DA C5')-(19 DA C4') 90.0 240.0 &rst iat = 554, 557, 558, 561, r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0, &end # 21 CYT BETA: (21 DC P)-(21 DC O5')-(21 DC C5')-(21 DC C4') 90.0 240.0 &rst iat = 619, 622, 623, 626, r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0, &end # 22 GUA BETA: (22 DG3 P)-(22 DG3 O5')-(22 DG3 C5')-(22 DG3 C4') 90.0 240.0 &rst iat = 649, 652, 653, 656, r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0, &end # 12 GUA GAMMA: (12 DG5 O5')-(12 DG5 C5')-(12 DG5 C4')-(12 DG5 C3') 0.0 120.0 &rst iat = 329, 330, 333, 353, r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0, &end # 13 CYT GAMMA: (13 DC O5')-(13 DC C5')-(13 DC C4')-(13 DC C3') 0.0 120.0 &rst iat = 362, 363, 366, 383, r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0, &end # 20 GUA GAMMA: (20 DG O5')-(20 DG C5')-(20 DG C4')-(20 DG C3') 0.0 120.0 &rst iat = 589, 590, 593, 613, r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0, &end # 15 THY GAMMA: (15 DT O5')-(15 DT C5')-(15 DT C4')-(15 DT C3') 0.0 120.0 &rst iat = 426, 427, 430, 449, r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0, &end # 16 GUA GAMMA: (16 DG O5')-(16 DG C5')-(16 DG C4')-(16 DG C3') 0.0 120.0 &rst iat = 458, 459, 462, 482, r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0, &end # 18 GUA GAMMA: (18 DG O5')-(18 DG C5')-(18 DG C4')-(18 DG C3') 0.0 120.0 &rst iat = 524, 525, 528, 548, r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0, &end # 19 ADE GAMMA: (19 DA O5')-(19 DA C5')-(19 DA C4')-(19 DA C3') 0.0 120.0 &rst iat = 557, 558, 561, 580, r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0, &end # 21 CYT GAMMA: (21 DC O5')-(21 DC C5')-(21 DC C4')-(21 DC C3') 0.0 120.0 &rst iat = 622, 623, 626, 643, r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0, &end # 22 GUA GAMMA: (22 DG3 O5')-(22 DG3 C5')-(22 DG3 C4')-(22 DG3 C3') 0.0 120.0 &rst iat = 652, 653, 656, 676, r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0, &end # 12 GUA EPSILN: (12 DG5 C4')-(12 DG5 C3')-(12 DG5 O3')-(13 DC P) -240.0 10.0 &rst iat = 333, 353, 358, 359, r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0, &end # 13 CYT EPSILN: (13 DC C4')-(13 DC C3')-(13 DC O3')-(14 DG P) -240.0 10.0 &rst iat = 366, 383, 388, 389, r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0, &end # 20 GUA EPSILN: (20 DG C4')-(20 DG C3')-(20 DG O3')-(21 DC P) -240.0 10.0 &rst iat = 593, 613, 618, 619, r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0, &end # 15 THY EPSILN: (15 DT C4')-(15 DT C3')-(15 DT O3')-(16 DG P) -240.0 10.0 &rst iat = 430, 449, 454, 455, r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0, &end # 16 GUA EPSILN: (16 DG C4')-(16 DG C3')-(16 DG O3')-(17 DG P) -240.0 10.0 &rst iat = 462, 482, 487, 488, r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0, &end # 18 GUA EPSILN: (18 DG C4')-(18 DG C3')-(18 DG O3')-(19 DA P) -240.0 10.0 &rst iat = 528, 548, 553, 554, r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0, &end # 19 ADE EPSILN: (19 DA C4')-(19 DA C3')-(19 DA O3')-(20 DG P) -240.0 10.0 &rst iat = 561, 580, 585, 586, r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0, &end # 21 CYT EPSILN: (21 DC C4')-(21 DC C3')-(21 DC O3')-(22 DG3 P) -240.0 10.0 &rst iat = 626, 643, 648, 649, r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0, &end # 12 GUA ZETA: (12 DG5 C3')-(12 DG5 O3')-(13 DC P)-(13 DC O5') 150.0 315.0 &rst iat = 353, 358, 359, 362, r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0, &end # 13 CYT ZETA: (13 DC C3')-(13 DC O3')-(14 DG P)-(14 DG O5') 150.0 315.0 &rst iat = 383, 388, 389, 392, r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0, &end # 20 GUA ZETA: (20 DG C3')-(20 DG O3')-(21 DC P)-(21 DC O5') 150.0 315.0 &rst iat = 613, 618, 619, 622, r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0, &end # 15 THY ZETA: (15 DT C3')-(15 DT O3')-(16 DG P)-(16 DG O5') 150.0 315.0 &rst iat = 449, 454, 455, 458, r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0, &end # 16 GUA ZETA: (16 DG C3')-(16 DG O3')-(17 DG P)-(17 DG O5') 150.0 315.0 &rst iat = 482, 487, 488, 491, r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0, &end # 18 GUA ZETA: (18 DG C3')-(18 DG O3')-(19 DA P)-(19 DA O5') 150.0 315.0 &rst iat = 548, 553, 554, 557, r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0, &end # 19 ADE ZETA: (19 DA C3')-(19 DA O3')-(20 DG P)-(20 DG O5') 150.0 315.0 &rst iat = 580, 585, 586, 589, r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0, &end # 21 CYT ZETA: (21 DC C3')-(21 DC O3')-(22 DG3 P)-(22 DG3 O5') 150.0 315.0 &rst iat = 643, 648, 649, 652, r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0, &end # 21 CYT ZETA: (21 DC C3')-(21 DC O3')-(22 DG3 P)-(22 DG3 O5') 150.0 315.0 &rst iat = 643, 648, 649, 652, r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0, &end
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