NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
398721 | 1tqr | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_1tqr save_distance_constraint_statistics_1 _TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics _TA_constraint_stats_list.Constraint_count 230 _TA_constraint_stats_list.Viol_count 73 _TA_constraint_stats_list.Viol_total 951.74 _TA_constraint_stats_list.Viol_max 5.73 _TA_constraint_stats_list.Viol_rms 0.40 _TA_constraint_stats_list.Viol_average_all_restraints 0.05 _TA_constraint_stats_list.Viol_average_violations_only 1.45 _TA_constraint_stats_list.Cutoff_violation_report 5.00 _TA_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * ID of the restraint list. * 3 * Number of restraints in list. * 4 * Number of violated restraints (each model violation is used). * 5 * Sum of violations in degrees. * 6 * Maximum violation of a restraint without averaging in any way. * 7 * Rms of violations over all restraints. * 8 * Average violation over all restraints. * 9 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. Threshold for reporting violations (degrees) in the last columns of the next table. * 10 * This tag. Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. * 2 * Torsion angle name where available. * 3 * First atom's: * 4 * Chain identifier (can be absent if none defined) * 5 * Residue number * 6 * Residue name * 7 * Name of (pseudo-)atom * 8 * Second thru fourth atom's identifiers occupy columns 7 thru 18. * 19 * Lower bound (degrees) * 20 * Upper bound (degrees) * 21 * Average angle in ensemble of models * 22 * Minimum angle in ensemble of models (counter clockwise from range) * 23 * Maximum angle in ensemble of models (clockwise from range) * 24 * Maximum violation (without any averaging) * 25 * Model number with the maximum violation * 26 * Number of models with a violation above cutoff * 27 * List of models with a violation above cutoff. See description above. * 28 * Administrative tag * 29 * Administrative tag ; loop_ _TA_constraint_stats.Restraint_ID _TA_constraint_stats.Torsion_angle_name _TA_constraint_stats.Entity_assembly_ID_1 _TA_constraint_stats.Comp_index_ID_1 _TA_constraint_stats.Comp_ID_1 _TA_constraint_stats.Atom_ID_1 _TA_constraint_stats.Entity_assembly_ID_2 _TA_constraint_stats.Comp_index_ID_2 _TA_constraint_stats.Comp_ID_2 _TA_constraint_stats.Atom_ID_2 _TA_constraint_stats.Entity_assembly_ID_3 _TA_constraint_stats.Comp_index_ID_3 _TA_constraint_stats.Comp_ID_3 _TA_constraint_stats.Atom_ID_3 _TA_constraint_stats.Entity_assembly_ID_4 _TA_constraint_stats.Comp_index_ID_4 _TA_constraint_stats.Comp_ID_4 _TA_constraint_stats.Atom_ID_4 _TA_constraint_stats.Angle_lower_bound_val _TA_constraint_stats.Angle_upper_bound_val _TA_constraint_stats.Angle_average _TA_constraint_stats.Angle_minimum _TA_constraint_stats.Angle_maximum _TA_constraint_stats.Max_violation _TA_constraint_stats.Max_violation_model_number _TA_constraint_stats.Over_cutoff_violation_count _TA_constraint_stats.Over_cutoff_violation_per_model 1 . 1 1 DG O3' 1 2 DG P 1 2 DG O5' 1 2 DG C5' -110.00 -10.00 -68.68 -67.48 -71.31 . . 0 "[ . ]" 2 . 1 2 DG O3' 1 3 DA P 1 3 DA O5' 1 3 DA C5' -110.00 -10.00 -61.80 -88.94 -39.89 . . 0 "[ . ]" 3 . 1 3 DA O3' 1 4 DA P 1 4 DA O5' 1 4 DA C5' -110.00 -10.00 -62.12 -53.21 -60.69 . . 0 "[ . ]" 4 . 1 4 DA O3' 1 5 DA P 1 5 DA O5' 1 5 DA C5' -110.00 -10.00 -56.81 -69.45 -28.09 . . 0 "[ . ]" 5 . 1 5 DA O3' 1 6 DA P 1 6 DA O5' 1 6 DA C5' -110.00 -10.00 -42.96 -68.31 -32.01 . . 0 "[ . ]" 6 . 1 6 DA O3' 1 7 DT P 1 7 DT O5' 1 7 DT C5' -110.00 -10.00 -41.73 -36.11 -40.77 . . 0 "[ . ]" 7 . 1 7 DT O3' 1 8 DC P 1 8 DC O5' 1 8 DC C5' -110.00 -10.00 -62.69 -57.05 -59.84 . . 0 "[ . ]" 8 . 1 8 DC O3' 1 9 DT P 1 9 DT O5' 1 9 DT C5' -110.00 -10.00 -46.29 -57.47 -39.23 . . 0 "[ . ]" 9 . 1 9 DT O3' 1 10 DC P 1 10 DC O5' 1 10 DC C5' -110.00 -10.00 -76.69 -85.53 -69.32 . . 0 "[ . ]" 10 . 1 10 DC O3' 1 11 DT P 1 11 DT O5' 1 11 DT C5' -110.00 -10.00 -63.16 -71.28 -52.89 . . 0 "[ . ]" 11 . 1 11 DT O3' 1 12 DA P 1 12 DA O5' 1 12 DA C5' -110.00 -10.00 -58.04 -56.86 -62.09 . . 0 "[ . ]" 12 . 1 12 DA O3' 1 13 DG P 1 13 DG O5' 1 13 DG C5' -110.00 -10.00 -49.28 -52.86 -42.95 . . 0 "[ . ]" 13 . 1 13 DG O3' 1 14 DC P 1 14 DC O5' 1 14 DC C5' -110.00 -10.00 -49.43 -54.30 -58.36 . . 0 "[ . ]" 14 . 1 14 DC O3' 1 15 DA P 1 15 DA O5' 1 15 DA C5' -110.00 -10.00 -54.84 -58.18 -51.45 . . 0 "[ . ]" 15 . 1 15 DA O3' 1 16 DG P 1 16 DG O5' 1 16 DG C5' -110.00 -10.00 -45.04 -50.94 -57.93 . . 0 "[ . ]" 16 . 1 16 DG O3' 1 17 DT P 1 17 DT O5' 1 17 DT C5' -110.00 -10.00 -44.25 -48.87 -42.62 . . 0 "[ . ]" 17 . 2 1 DA O3' 2 2 DC P 2 2 DC O5' 2 2 DC C5' -110.00 -10.00 -36.77 -40.84 -33.04 . . 0 "[ . ]" 18 . 2 2 DC O3' 2 3 DT P 2 3 DT O5' 2 3 DT C5' -110.00 -10.00 -41.01 -39.69 -41.31 . . 0 "[ . ]" 19 . 2 3 DT O3' 2 4 DG P 2 4 DG O5' 2 4 DG C5' -110.00 -10.00 -60.46 -67.12 -46.89 . . 0 "[ . ]" 20 . 2 4 DG O3' 2 5 DC P 2 5 DC O5' 2 5 DC C5' -110.00 -10.00 -59.53 -62.34 -75.78 . . 0 "[ . ]" 21 . 2 5 DC O3' 2 6 DT P 2 6 DT O5' 2 6 DT C5' -110.00 -10.00 -56.70 -61.01 -64.67 . . 0 "[ . ]" 22 . 2 6 DT O3' 2 7 DA P 2 7 DA O5' 2 7 DA C5' -110.00 -10.00 -67.34 -80.80 -58.21 . . 0 "[ . ]" 23 . 2 7 DA O3' 2 8 DG P 2 8 DG O5' 2 8 DG C5' -110.00 -10.00 -53.14 -60.32 -45.33 . . 0 "[ . ]" 24 . 2 8 DG O3' 2 9 DA P 2 9 DA O5' 2 9 DA C5' -110.00 -10.00 -72.48 -81.13 -61.43 . . 0 "[ . ]" 25 . 2 9 DA O3' 2 10 DG P 2 10 DG O5' 2 10 DG C5' -110.00 -10.00 -54.36 -78.07 -39.81 . . 0 "[ . ]" 26 . 2 10 DG O3' 2 11 DA P 2 11 DA O5' 2 11 DA C5' -110.00 -10.00 -53.19 -64.19 -44.54 . . 0 "[ . ]" 27 . 2 11 DA O3' 2 12 DT P 2 12 DT O5' 2 12 DT C5' -110.00 -10.00 -65.13 -58.81 -64.56 . . 0 "[ . ]" 28 . 2 12 DT O3' 2 13 DT P 2 13 DT O5' 2 13 DT C5' -110.00 -10.00 -47.79 -56.70 -41.24 . . 0 "[ . ]" 29 . 2 13 DT O3' 2 14 DT P 2 14 DT O5' 2 14 DT C5' -110.00 -10.00 -67.72 -96.99 -55.95 . . 0 "[ . ]" 30 . 2 14 DT O3' 2 15 DT P 2 15 DT O5' 2 15 DT C5' -110.00 -10.00 -56.04 -51.03 -54.60 . . 0 "[ . ]" 31 . 2 15 DT O3' 2 16 DC P 2 16 DC O5' 2 16 DC C5' -110.00 -10.00 -72.09 -69.15 -73.81 . . 0 "[ . ]" 32 . 2 16 DC O3' 2 17 DC P 2 17 DC O5' 2 17 DC C5' -110.00 -10.00 -75.54 -75.55 -78.29 . . 0 "[ . ]" 33 . 1 2 DG P 1 2 DG O5' 1 2 DG C5' 1 2 DG C4' 125.00 -135.00 167.61 159.42 179.07 . . 0 "[ . ]" 34 . 1 3 DA P 1 3 DA O5' 1 3 DA C5' 1 3 DA C4' 125.00 -135.00 172.45 166.85 179.74 . . 0 "[ . ]" 35 . 1 4 DA P 1 4 DA O5' 1 4 DA C5' 1 4 DA C4' 125.00 -135.00 172.80 167.64 156.33 . . 0 "[ . ]" 36 . 1 5 DA P 1 5 DA O5' 1 5 DA C5' 1 5 DA C4' 125.00 -135.00 172.29 -160.23 -171.60 . . 0 "[ . ]" 37 . 1 6 DA P 1 6 DA O5' 1 6 DA C5' 1 6 DA C4' 125.00 -135.00 171.18 -179.56 172.75 . . 0 "[ . ]" 38 . 1 7 DT P 1 7 DT O5' 1 7 DT C5' 1 7 DT C4' 125.00 -135.00 -166.86 -164.71 -168.83 . . 0 "[ . ]" 39 . 1 8 DC P 1 8 DC O5' 1 8 DC C5' 1 8 DC C4' 125.00 -135.00 176.27 168.77 -171.31 . . 0 "[ . ]" 40 . 1 9 DT P 1 9 DT O5' 1 9 DT C5' 1 9 DT C4' 125.00 -135.00 169.36 172.74 170.88 . . 0 "[ . ]" 41 . 1 10 DC P 1 10 DC O5' 1 10 DC C5' 1 10 DC C4' 125.00 -135.00 -169.87 -172.28 -173.98 . . 0 "[ . ]" 42 . 1 11 DT P 1 11 DT O5' 1 11 DT C5' 1 11 DT C4' 125.00 -135.00 -172.43 -177.47 -167.02 . . 0 "[ . ]" 43 . 1 12 DA P 1 12 DA O5' 1 12 DA C5' 1 12 DA C4' 125.00 -135.00 -167.42 -173.92 -153.97 . . 0 "[ . ]" 44 . 1 13 DG P 1 13 DG O5' 1 13 DG C5' 1 13 DG C4' 125.00 -135.00 -167.96 -165.71 -177.61 . . 0 "[ . ]" 45 . 1 14 DC P 1 14 DC O5' 1 14 DC C5' 1 14 DC C4' 125.00 -135.00 150.87 143.08 171.61 . . 0 "[ . ]" 46 . 1 15 DA P 1 15 DA O5' 1 15 DA C5' 1 15 DA C4' 125.00 -135.00 -161.74 -162.43 -163.58 . . 0 "[ . ]" 47 . 1 16 DG P 1 16 DG O5' 1 16 DG C5' 1 16 DG C4' 125.00 -135.00 -161.19 -165.24 -152.24 . . 0 "[ . ]" 48 . 1 17 DT P 1 17 DT O5' 1 17 DT C5' 1 17 DT C4' 125.00 -135.00 139.40 139.85 139.67 . . 0 "[ . ]" 49 . 2 2 DC P 2 2 DC O5' 2 2 DC C5' 2 2 DC C4' 125.00 -135.00 151.97 147.91 155.61 . . 0 "[ . ]" 50 . 2 3 DT P 2 3 DT O5' 2 3 DT C5' 2 3 DT C4' 125.00 -135.00 178.93 177.51 173.50 . . 0 "[ . ]" 51 . 2 4 DG P 2 4 DG O5' 2 4 DG C5' 2 4 DG C4' 125.00 -135.00 -157.99 -171.16 178.82 . . 0 "[ . ]" 52 . 2 5 DC P 2 5 DC O5' 2 5 DC C5' 2 5 DC C4' 125.00 -135.00 153.68 141.55 -174.79 . . 0 "[ . ]" 53 . 2 6 DT P 2 6 DT O5' 2 6 DT C5' 2 6 DT C4' 125.00 -135.00 -175.89 178.15 -155.50 . . 0 "[ . ]" 54 . 2 7 DA P 2 7 DA O5' 2 7 DA C5' 2 7 DA C4' 125.00 -135.00 -175.24 -178.70 174.97 . . 0 "[ . ]" 55 . 2 8 DG P 2 8 DG O5' 2 8 DG C5' 2 8 DG C4' 125.00 -135.00 -179.78 -178.20 -178.58 . . 0 "[ . ]" 56 . 2 9 DA P 2 9 DA O5' 2 9 DA C5' 2 9 DA C4' 125.00 -135.00 -179.53 172.28 -170.99 . . 0 "[ . ]" 57 . 2 10 DG P 2 10 DG O5' 2 10 DG C5' 2 10 DG C4' 125.00 -135.00 -177.18 -134.58 -179.87 1.11 5 0 "[ . ]" 58 . 2 11 DA P 2 11 DA O5' 2 11 DA C5' 2 11 DA C4' 125.00 -135.00 136.87 134.31 138.00 . . 0 "[ . ]" 59 . 2 12 DT P 2 12 DT O5' 2 12 DT C5' 2 12 DT C4' 125.00 -135.00 -168.83 -177.40 -163.24 . . 0 "[ . ]" 60 . 2 13 DT P 2 13 DT O5' 2 13 DT C5' 2 13 DT C4' 125.00 -135.00 -178.12 178.58 -172.91 . . 0 "[ . ]" 61 . 2 14 DT P 2 14 DT O5' 2 14 DT C5' 2 14 DT C4' 125.00 -135.00 176.67 -178.70 173.22 . . 0 "[ . ]" 62 . 2 15 DT P 2 15 DT O5' 2 15 DT C5' 2 15 DT C4' 125.00 -135.00 163.15 169.28 162.39 . . 0 "[ . ]" 63 . 2 16 DC P 2 16 DC O5' 2 16 DC C5' 2 16 DC C4' 125.00 -135.00 -164.66 -164.07 -171.35 . . 0 "[ . ]" 64 . 2 17 DC P 2 17 DC O5' 2 17 DC C5' 2 17 DC C4' 125.00 -135.00 164.24 160.17 159.12 . . 0 "[ . ]" 65 . 1 1 DG O5' 1 1 DG C5' 1 1 DG C4' 1 1 DG C3' 30.00 90.00 71.02 52.35 81.32 . . 0 "[ . ]" 66 . 1 2 DG O5' 1 2 DG C5' 1 2 DG C4' 1 2 DG C3' 30.00 90.00 64.95 60.08 71.46 . . 0 "[ . ]" 67 . 1 3 DA O5' 1 3 DA C5' 1 3 DA C4' 1 3 DA C3' 30.00 90.00 59.92 55.80 53.89 . . 0 "[ . ]" 68 . 1 4 DA O5' 1 4 DA C5' 1 4 DA C4' 1 4 DA C3' 30.00 90.00 56.25 32.71 72.33 . . 0 "[ . ]" 69 . 1 5 DA O5' 1 5 DA C5' 1 5 DA C4' 1 5 DA C3' 30.00 90.00 45.03 39.32 50.47 . . 0 "[ . ]" 70 . 1 6 DA O5' 1 6 DA C5' 1 6 DA C4' 1 6 DA C3' 30.00 90.00 50.46 56.27 49.44 . . 0 "[ . ]" 71 . 1 7 DT O5' 1 7 DT C5' 1 7 DT C4' 1 7 DT C3' 30.00 90.00 44.84 40.88 49.25 . . 0 "[ . ]" 72 . 1 8 DC O5' 1 8 DC C5' 1 8 DC C4' 1 8 DC C3' 30.00 90.00 47.99 46.33 46.20 . . 0 "[ . ]" 73 . 1 9 DT O5' 1 9 DT C5' 1 9 DT C4' 1 9 DT C3' 30.00 90.00 48.90 56.05 51.42 . . 0 "[ . ]" 74 . 1 10 DC O5' 1 10 DC C5' 1 10 DC C4' 1 10 DC C3' 30.00 90.00 57.30 63.94 63.19 . . 0 "[ . ]" 75 . 1 11 DT O5' 1 11 DT C5' 1 11 DT C4' 1 11 DT C3' 30.00 90.00 49.71 51.99 48.90 . . 0 "[ . ]" 76 . 1 12 DA O5' 1 12 DA C5' 1 12 DA C4' 1 12 DA C3' 30.00 90.00 37.62 42.49 39.68 . . 0 "[ . ]" 77 . 1 13 DG O5' 1 13 DG C5' 1 13 DG C4' 1 13 DG C3' 30.00 90.00 40.29 33.89 48.66 . . 0 "[ . ]" 78 . 1 14 DC O5' 1 14 DC C5' 1 14 DC C4' 1 14 DC C3' 30.00 90.00 58.79 51.41 66.26 . . 0 "[ . ]" 79 . 1 15 DA O5' 1 15 DA C5' 1 15 DA C4' 1 15 DA C3' 30.00 90.00 29.79 29.95 29.81 0.70 6 0 "[ . ]" 80 . 1 16 DG O5' 1 16 DG C5' 1 16 DG C4' 1 16 DG C3' 30.00 90.00 37.07 35.47 40.43 . . 0 "[ . ]" 81 . 1 17 DT O5' 1 17 DT C5' 1 17 DT C4' 1 17 DT C3' 30.00 90.00 30.21 28.85 35.48 1.15 3 0 "[ . ]" 82 . 2 1 DA O5' 2 1 DA C5' 2 1 DA C4' 2 1 DA C3' 30.00 90.00 78.72 41.48 90.59 0.59 9 0 "[ . ]" 83 . 2 2 DC O5' 2 2 DC C5' 2 2 DC C4' 2 2 DC C3' 30.00 90.00 53.94 50.85 60.53 . . 0 "[ . ]" 84 . 2 3 DT O5' 2 3 DT C5' 2 3 DT C4' 2 3 DT C3' 30.00 90.00 42.21 41.23 40.81 . . 0 "[ . ]" 85 . 2 4 DG O5' 2 4 DG C5' 2 4 DG C4' 2 4 DG C3' 30.00 90.00 35.19 29.29 50.88 0.71 5 0 "[ . ]" 86 . 2 5 DC O5' 2 5 DC C5' 2 5 DC C4' 2 5 DC C3' 30.00 90.00 66.17 71.29 68.68 . . 0 "[ . ]" 87 . 2 6 DT O5' 2 6 DT C5' 2 6 DT C4' 2 6 DT C3' 30.00 90.00 49.83 51.83 48.48 . . 0 "[ . ]" 88 . 2 7 DA O5' 2 7 DA C5' 2 7 DA C4' 2 7 DA C3' 30.00 90.00 50.94 59.45 56.67 . . 0 "[ . ]" 89 . 2 8 DG O5' 2 8 DG C5' 2 8 DG C4' 2 8 DG C3' 30.00 90.00 47.73 49.41 45.55 . . 0 "[ . ]" 90 . 2 9 DA O5' 2 9 DA C5' 2 9 DA C4' 2 9 DA C3' 30.00 90.00 62.01 74.91 63.32 . . 0 "[ . ]" 91 . 2 10 DG O5' 2 10 DG C5' 2 10 DG C4' 2 10 DG C3' 30.00 90.00 40.95 29.74 55.59 0.26 5 0 "[ . ]" 92 . 2 11 DA O5' 2 11 DA C5' 2 11 DA C4' 2 11 DA C3' 30.00 90.00 71.54 83.92 73.64 . . 0 "[ . ]" 93 . 2 12 DT O5' 2 12 DT C5' 2 12 DT C4' 2 12 DT C3' 30.00 90.00 55.54 48.00 60.33 . . 0 "[ . ]" 94 . 2 13 DT O5' 2 13 DT C5' 2 13 DT C4' 2 13 DT C3' 30.00 90.00 36.02 42.94 37.93 . . 0 "[ . ]" 95 . 2 14 DT O5' 2 14 DT C5' 2 14 DT C4' 2 14 DT C3' 30.00 90.00 63.36 46.38 90.08 0.08 9 0 "[ . ]" 96 . 2 15 DT O5' 2 15 DT C5' 2 15 DT C4' 2 15 DT C3' 30.00 90.00 65.21 55.43 87.62 . . 0 "[ . ]" 97 . 2 16 DC O5' 2 16 DC C5' 2 16 DC C4' 2 16 DC C3' 30.00 90.00 47.89 39.85 56.89 . . 0 "[ . ]" 98 . 2 17 DC O5' 2 17 DC C5' 2 17 DC C4' 2 17 DC C3' 30.00 90.00 57.48 47.55 65.36 . . 0 "[ . ]" 99 . 1 1 DG C4' 1 1 DG C3' 1 1 DG O3' 1 2 DG P 120.00 -140.00 -170.77 175.92 -161.70 . . 0 "[ . ]" 100 . 1 2 DG C4' 1 2 DG C3' 1 2 DG O3' 1 3 DA P 120.00 -140.00 -178.37 -175.63 -178.04 . . 0 "[ . ]" 101 . 1 3 DA C4' 1 3 DA C3' 1 3 DA O3' 1 4 DA P 120.00 -140.00 -176.74 170.28 -164.82 . . 0 "[ . ]" 102 . 1 4 DA C4' 1 4 DA C3' 1 4 DA O3' 1 5 DA P 120.00 -140.00 -176.56 172.31 -170.57 . . 0 "[ . ]" 103 . 1 5 DA C4' 1 5 DA C3' 1 5 DA O3' 1 6 DA P 120.00 -140.00 169.97 172.56 167.55 . . 0 "[ . ]" 104 . 1 6 DA C4' 1 6 DA C3' 1 6 DA O3' 1 7 DT P 120.00 -140.00 164.20 150.12 173.21 . . 0 "[ . ]" 105 . 1 7 DT C4' 1 7 DT C3' 1 7 DT O3' 1 8 DC P 120.00 -140.00 179.70 -176.57 -178.08 . . 0 "[ . ]" 106 . 1 8 DC C4' 1 8 DC C3' 1 8 DC O3' 1 9 DT P 120.00 -140.00 177.14 155.90 -173.98 . . 0 "[ . ]" 107 . 1 9 DT C4' 1 9 DT C3' 1 9 DT O3' 1 10 DC P 120.00 -140.00 173.26 176.40 173.88 . . 0 "[ . ]" 108 . 1 10 DC C4' 1 10 DC C3' 1 10 DC O3' 1 11 DT P 120.00 -140.00 173.77 175.10 174.40 . . 0 "[ . ]" 109 . 1 11 DT C4' 1 11 DT C3' 1 11 DT O3' 1 12 DA P 120.00 -140.00 176.17 172.94 177.75 . . 0 "[ . ]" 110 . 1 12 DA C4' 1 12 DA C3' 1 12 DA O3' 1 13 DG P 120.00 -140.00 169.81 164.82 175.67 . . 0 "[ . ]" 111 . 1 13 DG C4' 1 13 DG C3' 1 13 DG O3' 1 14 DC P 120.00 -140.00 -168.11 -170.86 -177.02 . . 0 "[ . ]" 112 . 1 14 DC C4' 1 14 DC C3' 1 14 DC O3' 1 15 DA P 120.00 -140.00 175.07 172.86 178.37 . . 0 "[ . ]" 113 . 1 15 DA C4' 1 15 DA C3' 1 15 DA O3' 1 16 DG P 120.00 -140.00 169.05 168.44 166.38 . . 0 "[ . ]" 114 . 1 16 DG C4' 1 16 DG C3' 1 16 DG O3' 1 17 DT P 120.00 -140.00 -137.13 -137.84 -139.18 4.39 3 0 "[ . ]" 115 . 2 1 DA C4' 2 1 DA C3' 2 1 DA O3' 2 2 DC P 120.00 -140.00 -178.57 -175.91 -178.86 . . 0 "[ . ]" 116 . 2 2 DC C4' 2 2 DC C3' 2 2 DC O3' 2 3 DT P 120.00 -140.00 -179.41 176.80 -172.60 . . 0 "[ . ]" 117 . 2 3 DT C4' 2 3 DT C3' 2 3 DT O3' 2 4 DG P 120.00 -140.00 175.45 168.38 -176.98 . . 0 "[ . ]" 118 . 2 4 DG C4' 2 4 DG C3' 2 4 DG O3' 2 5 DC P 120.00 -140.00 -168.60 -176.26 177.45 . . 0 "[ . ]" 119 . 2 5 DC C4' 2 5 DC C3' 2 5 DC O3' 2 6 DT P 120.00 -140.00 176.52 176.00 174.40 . . 0 "[ . ]" 120 . 2 6 DT C4' 2 6 DT C3' 2 6 DT O3' 2 7 DA P 120.00 -140.00 178.75 175.64 -178.54 . . 0 "[ . ]" 121 . 2 7 DA C4' 2 7 DA C3' 2 7 DA O3' 2 8 DG P 120.00 -140.00 178.15 175.06 -175.51 . . 0 "[ . ]" 122 . 2 8 DG C4' 2 8 DG C3' 2 8 DG O3' 2 9 DA P 120.00 -140.00 -176.64 -176.85 -178.23 . . 0 "[ . ]" 123 . 2 9 DA C4' 2 9 DA C3' 2 9 DA O3' 2 10 DG P 120.00 -140.00 179.09 169.16 -174.56 . . 0 "[ . ]" 124 . 2 10 DG C4' 2 10 DG C3' 2 10 DG O3' 2 11 DA P 120.00 -140.00 -166.87 -175.40 -161.37 . . 0 "[ . ]" 125 . 2 11 DA C4' 2 11 DA C3' 2 11 DA O3' 2 12 DT P 120.00 -140.00 170.88 172.89 170.67 . . 0 "[ . ]" 126 . 2 12 DT C4' 2 12 DT C3' 2 12 DT O3' 2 13 DT P 120.00 -140.00 -178.54 176.31 -176.39 . . 0 "[ . ]" 127 . 2 13 DT C4' 2 13 DT C3' 2 13 DT O3' 2 14 DT P 120.00 -140.00 -179.34 173.36 -174.89 . . 0 "[ . ]" 128 . 2 14 DT C4' 2 14 DT C3' 2 14 DT O3' 2 15 DT P 120.00 -140.00 -177.30 173.59 -166.38 . . 0 "[ . ]" 129 . 2 15 DT C4' 2 15 DT C3' 2 15 DT O3' 2 16 DC P 120.00 -140.00 175.58 164.27 -177.55 . . 0 "[ . ]" 130 . 2 16 DC C4' 2 16 DC C3' 2 16 DC O3' 2 17 DC P 120.00 -140.00 -172.29 178.01 -165.50 . . 0 "[ . ]" 131 . 1 1 DG C3' 1 1 DG O3' 1 2 DG P 1 2 DG O5' -135.00 -35.00 -109.91 -111.25 -112.93 . . 0 "[ . ]" 132 . 1 2 DG C3' 1 2 DG O3' 1 3 DA P 1 3 DA O5' -135.00 -35.00 -117.78 -116.76 -117.87 . . 0 "[ . ]" 133 . 1 3 DA C3' 1 3 DA O3' 1 4 DA P 1 4 DA O5' -135.00 -35.00 -113.74 -101.61 -123.08 1.73 7 0 "[ . ]" 134 . 1 4 DA C3' 1 4 DA O3' 1 5 DA P 1 5 DA O5' -135.00 -35.00 -100.75 -133.31 -81.07 . . 0 "[ . ]" 135 . 1 5 DA C3' 1 5 DA O3' 1 6 DA P 1 6 DA O5' -135.00 -35.00 -96.11 -108.44 -89.41 . . 0 "[ . ]" 136 . 1 6 DA C3' 1 6 DA O3' 1 7 DT P 1 7 DT O5' -135.00 -35.00 -101.09 -96.20 -101.83 . . 0 "[ . ]" 137 . 1 7 DT C3' 1 7 DT O3' 1 8 DC P 1 8 DC O5' -135.00 -35.00 -91.11 -91.52 -92.38 . . 0 "[ . ]" 138 . 1 8 DC C3' 1 8 DC O3' 1 9 DT P 1 9 DT O5' -135.00 -35.00 -119.08 -120.60 -122.66 . . 0 "[ . ]" 139 . 1 9 DT C3' 1 9 DT O3' 1 10 DC P 1 10 DC O5' -135.00 -35.00 -94.92 -96.41 -100.24 . . 0 "[ . ]" 140 . 1 10 DC C3' 1 10 DC O3' 1 11 DT P 1 11 DT O5' -135.00 -35.00 -107.53 -110.61 -105.75 . . 0 "[ . ]" 141 . 1 11 DT C3' 1 11 DT O3' 1 12 DA P 1 12 DA O5' -135.00 -35.00 -96.04 -102.73 -88.65 . . 0 "[ . ]" 142 . 1 12 DA C3' 1 12 DA O3' 1 13 DG P 1 13 DG O5' -135.00 -35.00 -100.60 -101.50 -103.43 . . 0 "[ . ]" 143 . 1 13 DG C3' 1 13 DG O3' 1 14 DC P 1 14 DC O5' -135.00 -35.00 -131.98 -135.96 -119.91 0.96 5 0 "[ . ]" 144 . 1 14 DC C3' 1 14 DC O3' 1 15 DA P 1 15 DA O5' -135.00 -35.00 -96.65 -96.15 -97.73 . . 0 "[ . ]" 145 . 1 15 DA C3' 1 15 DA O3' 1 16 DG P 1 16 DG O5' -135.00 -35.00 -99.40 -102.64 -92.89 . . 0 "[ . ]" 146 . 1 16 DG C3' 1 16 DG O3' 1 17 DT P 1 17 DT O5' -135.00 -35.00 -139.81 -139.86 -140.65 5.73 9 2 "[- . +]" 147 . 2 1 DA C3' 2 1 DA O3' 2 2 DC P 2 2 DC O5' -135.00 -35.00 -128.59 -132.12 -124.44 . . 0 "[ . ]" 148 . 2 2 DC C3' 2 2 DC O3' 2 3 DT P 2 3 DT O5' -135.00 -35.00 -114.48 -116.83 -119.27 . . 0 "[ . ]" 149 . 2 3 DT C3' 2 3 DT O3' 2 4 DG P 2 4 DG O5' -135.00 -35.00 -96.77 -94.98 -105.89 . . 0 "[ . ]" 150 . 2 4 DG C3' 2 4 DG O3' 2 5 DC P 2 5 DC O5' -135.00 -35.00 -131.14 -136.09 -113.76 1.09 9 0 "[ . ]" 151 . 2 5 DC C3' 2 5 DC O3' 2 6 DT P 2 6 DT O5' -135.00 -35.00 -103.97 -110.79 -94.58 . . 0 "[ . ]" 152 . 2 6 DT C3' 2 6 DT O3' 2 7 DA P 2 7 DA O5' -135.00 -35.00 -103.23 -104.13 -106.38 . . 0 "[ . ]" 153 . 2 7 DA C3' 2 7 DA O3' 2 8 DG P 2 8 DG O5' -135.00 -35.00 -108.30 -106.63 -107.22 . . 0 "[ . ]" 154 . 2 8 DG C3' 2 8 DG O3' 2 9 DA P 2 9 DA O5' -135.00 -35.00 -119.13 -123.78 -114.87 . . 0 "[ . ]" 155 . 2 9 DA C3' 2 9 DA O3' 2 10 DG P 2 10 DG O5' -135.00 -35.00 -102.18 -84.36 -104.34 . . 0 "[ . ]" 156 . 2 10 DG C3' 2 10 DG O3' 2 11 DA P 2 11 DA O5' -135.00 -35.00 -135.85 -135.58 -135.59 1.71 5 0 "[ . ]" 157 . 2 11 DA C3' 2 11 DA O3' 2 12 DT P 2 12 DT O5' -135.00 -35.00 -100.55 -106.61 -96.82 . . 0 "[ . ]" 158 . 2 12 DT C3' 2 12 DT O3' 2 13 DT P 2 13 DT O5' -135.00 -35.00 -113.39 -113.66 -114.29 . . 0 "[ . ]" 159 . 2 13 DT C3' 2 13 DT O3' 2 14 DT P 2 14 DT O5' -135.00 -35.00 -121.99 -110.89 -119.74 . . 0 "[ . ]" 160 . 2 14 DT C3' 2 14 DT O3' 2 15 DT P 2 15 DT O5' -135.00 -35.00 -120.75 -116.61 -117.52 . . 0 "[ . ]" 161 . 2 15 DT C3' 2 15 DT O3' 2 16 DC P 2 16 DC O5' -135.00 -35.00 -94.91 -94.28 -94.62 . . 0 "[ . ]" 162 . 2 16 DC C3' 2 16 DC O3' 2 17 DC P 2 17 DC O5' -135.00 -35.00 -119.00 -125.22 -111.81 . . 0 "[ . ]" 163 . 1 1 DG C5' 1 1 DG C4' 1 1 DG C3' 1 1 DG O3' 95.00 175.00 139.92 135.64 147.16 . . 0 "[ . ]" 164 . 1 2 DG C5' 1 2 DG C4' 1 2 DG C3' 1 2 DG O3' 95.00 175.00 137.71 133.54 146.61 . . 0 "[ . ]" 165 . 1 3 DA C5' 1 3 DA C4' 1 3 DA C3' 1 3 DA O3' 95.00 175.00 140.86 134.15 146.73 . . 0 "[ . ]" 166 . 1 4 DA C5' 1 4 DA C4' 1 4 DA C3' 1 4 DA O3' 95.00 175.00 140.98 132.14 148.64 . . 0 "[ . ]" 167 . 1 5 DA C5' 1 5 DA C4' 1 5 DA C3' 1 5 DA O3' 95.00 175.00 120.99 131.83 117.86 . . 0 "[ . ]" 168 . 1 6 DA C5' 1 6 DA C4' 1 6 DA C3' 1 6 DA O3' 95.00 175.00 121.57 111.02 135.95 . . 0 "[ . ]" 169 . 1 7 DT C5' 1 7 DT C4' 1 7 DT C3' 1 7 DT O3' 95.00 175.00 147.72 146.74 145.52 . . 0 "[ . ]" 170 . 1 8 DC C5' 1 8 DC C4' 1 8 DC C3' 1 8 DC O3' 95.00 175.00 129.40 111.18 144.97 . . 0 "[ . ]" 171 . 1 9 DT C5' 1 9 DT C4' 1 9 DT C3' 1 9 DT O3' 95.00 175.00 141.18 142.20 141.59 . . 0 "[ . ]" 172 . 1 10 DC C5' 1 10 DC C4' 1 10 DC C3' 1 10 DC O3' 95.00 175.00 145.46 143.81 147.38 . . 0 "[ . ]" 173 . 1 11 DT C5' 1 11 DT C4' 1 11 DT C3' 1 11 DT O3' 95.00 175.00 137.45 130.06 142.04 . . 0 "[ . ]" 174 . 1 12 DA C5' 1 12 DA C4' 1 12 DA C3' 1 12 DA O3' 95.00 175.00 137.20 132.34 142.97 . . 0 "[ . ]" 175 . 1 13 DG C5' 1 13 DG C4' 1 13 DG C3' 1 13 DG O3' 95.00 175.00 143.18 142.77 139.53 . . 0 "[ . ]" 176 . 1 14 DC C5' 1 14 DC C4' 1 14 DC C3' 1 14 DC O3' 95.00 175.00 141.10 136.80 145.16 . . 0 "[ . ]" 177 . 1 15 DA C5' 1 15 DA C4' 1 15 DA C3' 1 15 DA O3' 95.00 175.00 144.03 141.26 148.28 . . 0 "[ . ]" 178 . 1 16 DG C5' 1 16 DG C4' 1 16 DG C3' 1 16 DG O3' 95.00 175.00 141.61 142.73 142.22 . . 0 "[ . ]" 179 . 1 17 DT C5' 1 17 DT C4' 1 17 DT C3' 1 17 DT O3' 95.00 175.00 111.85 112.99 112.26 . . 0 "[ . ]" 180 . 2 1 DA C5' 2 1 DA C4' 2 1 DA C3' 2 1 DA O3' 95.00 175.00 144.20 141.40 145.18 . . 0 "[ . ]" 181 . 2 2 DC C5' 2 2 DC C4' 2 2 DC C3' 2 2 DC O3' 95.00 175.00 146.24 144.99 147.52 . . 0 "[ . ]" 182 . 2 3 DT C5' 2 3 DT C4' 2 3 DT C3' 2 3 DT O3' 95.00 175.00 139.39 139.46 137.74 . . 0 "[ . ]" 183 . 2 4 DG C5' 2 4 DG C4' 2 4 DG C3' 2 4 DG O3' 95.00 175.00 145.83 143.62 141.34 . . 0 "[ . ]" 184 . 2 5 DC C5' 2 5 DC C4' 2 5 DC C3' 2 5 DC O3' 95.00 175.00 139.42 135.30 144.81 . . 0 "[ . ]" 185 . 2 6 DT C5' 2 6 DT C4' 2 6 DT C3' 2 6 DT O3' 95.00 175.00 139.44 137.94 142.42 . . 0 "[ . ]" 186 . 2 7 DA C5' 2 7 DA C4' 2 7 DA C3' 2 7 DA O3' 95.00 175.00 139.03 139.10 134.04 . . 0 "[ . ]" 187 . 2 8 DG C5' 2 8 DG C4' 2 8 DG C3' 2 8 DG O3' 95.00 175.00 139.78 131.87 143.38 . . 0 "[ . ]" 188 . 2 9 DA C5' 2 9 DA C4' 2 9 DA C3' 2 9 DA O3' 95.00 175.00 142.91 138.99 145.83 . . 0 "[ . ]" 189 . 2 10 DG C5' 2 10 DG C4' 2 10 DG C3' 2 10 DG O3' 95.00 175.00 135.60 153.19 136.00 . . 0 "[ . ]" 190 . 2 11 DA C5' 2 11 DA C4' 2 11 DA C3' 2 11 DA O3' 95.00 175.00 136.21 136.96 136.53 . . 0 "[ . ]" 191 . 2 12 DT C5' 2 12 DT C4' 2 12 DT C3' 2 12 DT O3' 95.00 175.00 144.39 142.65 145.76 . . 0 "[ . ]" 192 . 2 13 DT C5' 2 13 DT C4' 2 13 DT C3' 2 13 DT O3' 95.00 175.00 144.92 144.38 142.90 . . 0 "[ . ]" 193 . 2 14 DT C5' 2 14 DT C4' 2 14 DT C3' 2 14 DT O3' 95.00 175.00 140.42 133.71 145.11 . . 0 "[ . ]" 194 . 2 15 DT C5' 2 15 DT C4' 2 15 DT C3' 2 15 DT O3' 95.00 175.00 140.79 138.00 144.16 . . 0 "[ . ]" 195 . 2 16 DC C5' 2 16 DC C4' 2 16 DC C3' 2 16 DC O3' 95.00 175.00 144.94 143.54 140.93 . . 0 "[ . ]" 196 . 2 17 DC C5' 2 17 DC C4' 2 17 DC C3' 2 17 DC O3' 95.00 175.00 93.82 92.86 94.51 2.14 2 0 "[ . ]" 197 . 1 1 DG O4' 1 1 DG C1' 1 1 DG N9 1 1 DG C4 -165.00 -55.00 -119.00 -114.86 -114.90 . . 0 "[ . ]" 198 . 1 2 DG O4' 1 2 DG C1' 1 2 DG N9 1 2 DG C4 -165.00 -55.00 -113.81 -111.60 -111.69 . . 0 "[ . ]" 199 . 1 3 DA O4' 1 3 DA C1' 1 3 DA N9 1 3 DA C4 -165.00 -55.00 -114.32 -128.69 -105.61 . . 0 "[ . ]" 200 . 1 4 DA O4' 1 4 DA C1' 1 4 DA N9 1 4 DA C4 -165.00 -55.00 -114.23 -122.25 -98.71 . . 0 "[ . ]" 201 . 1 5 DA O4' 1 5 DA C1' 1 5 DA N9 1 5 DA C4 -165.00 -55.00 -121.74 -120.26 -122.57 . . 0 "[ . ]" 202 . 1 6 DA O4' 1 6 DA C1' 1 6 DA N9 1 6 DA C4 -165.00 -55.00 -129.71 -128.99 -129.63 . . 0 "[ . ]" 203 . 1 7 DT O4' 1 7 DT C1' 1 7 DT N1 1 7 DT C2 -165.00 -55.00 -117.66 -117.97 -119.27 . . 0 "[ . ]" 204 . 1 8 DC O4' 1 8 DC C1' 1 8 DC N1 1 8 DC C2 -165.00 -55.00 -114.45 -122.85 -110.16 . . 0 "[ . ]" 205 . 1 9 DT O4' 1 9 DT C1' 1 9 DT N1 1 9 DT C2 -165.00 -55.00 -115.99 -119.32 -112.12 . . 0 "[ . ]" 206 . 1 10 DC O4' 1 10 DC C1' 1 10 DC N1 1 10 DC C2 -165.00 -55.00 -106.27 -105.02 -107.41 . . 0 "[ . ]" 207 . 1 11 DT O4' 1 11 DT C1' 1 11 DT N1 1 11 DT C2 -165.00 -55.00 -117.73 -123.97 -113.62 . . 0 "[ . ]" 208 . 1 12 DA O4' 1 12 DA C1' 1 12 DA N9 1 12 DA C4 -165.00 -55.00 -112.71 -119.60 -98.72 . . 0 "[ . ]" 209 . 1 13 DG O4' 1 13 DG C1' 1 13 DG N9 1 13 DG C4 -165.00 -55.00 -110.47 -108.93 -113.50 . . 0 "[ . ]" 210 . 1 14 DC O4' 1 14 DC C1' 1 14 DC N1 1 14 DC C2 -165.00 -55.00 -109.32 -110.04 -113.98 . . 0 "[ . ]" 211 . 1 15 DA O4' 1 15 DA C1' 1 15 DA N9 1 15 DA C4 -165.00 -55.00 -120.85 -121.88 -120.19 . . 0 "[ . ]" 212 . 1 16 DG O4' 1 16 DG C1' 1 16 DG N9 1 16 DG C4 -165.00 -55.00 -106.04 -108.12 -102.73 . . 0 "[ . ]" 213 . 1 17 DT O4' 1 17 DT C1' 1 17 DT N1 1 17 DT C2 -165.00 -55.00 -111.25 -112.55 -106.81 . . 0 "[ . ]" 214 . 2 1 DA O4' 2 1 DA C1' 2 1 DA N9 2 1 DA C4 -165.00 -55.00 -107.76 -109.43 -103.91 . . 0 "[ . ]" 215 . 2 2 DC O4' 2 2 DC C1' 2 2 DC N1 2 2 DC C2 -165.00 -55.00 -109.19 -114.06 -106.10 . . 0 "[ . ]" 216 . 2 3 DT O4' 2 3 DT C1' 2 3 DT N1 2 3 DT C2 -165.00 -55.00 -123.71 -123.54 -124.10 . . 0 "[ . ]" 217 . 2 4 DG O4' 2 4 DG C1' 2 4 DG N9 2 4 DG C4 -165.00 -55.00 -106.39 -111.05 -117.78 . . 0 "[ . ]" 218 . 2 5 DC O4' 2 5 DC C1' 2 5 DC N1 2 5 DC C2 -165.00 -55.00 -120.89 -122.44 -118.62 . . 0 "[ . ]" 219 . 2 6 DT O4' 2 6 DT C1' 2 6 DT N1 2 6 DT C2 -165.00 -55.00 -116.42 -123.01 -109.93 . . 0 "[ . ]" 220 . 2 7 DA O4' 2 7 DA C1' 2 7 DA N9 2 7 DA C4 -165.00 -55.00 -120.98 -123.71 -125.30 . . 0 "[ . ]" 221 . 2 8 DG O4' 2 8 DG C1' 2 8 DG N9 2 8 DG C4 -165.00 -55.00 -119.03 -118.28 -118.61 . . 0 "[ . ]" 222 . 2 9 DA O4' 2 9 DA C1' 2 9 DA N9 2 9 DA C4 -165.00 -55.00 -113.01 -119.24 -107.75 . . 0 "[ . ]" 223 . 2 10 DG O4' 2 10 DG C1' 2 10 DG N9 2 10 DG C4 -165.00 -55.00 -103.21 -81.37 -105.46 . . 0 "[ . ]" 224 . 2 11 DA O4' 2 11 DA C1' 2 11 DA N9 2 11 DA C4 -165.00 -55.00 -122.19 -124.29 -118.28 . . 0 "[ . ]" 225 . 2 12 DT O4' 2 12 DT C1' 2 12 DT N1 2 12 DT C2 -165.00 -55.00 -112.02 -116.59 -109.05 . . 0 "[ . ]" 226 . 2 13 DT O4' 2 13 DT C1' 2 13 DT N1 2 13 DT C2 -165.00 -55.00 -109.77 -111.40 -107.55 . . 0 "[ . ]" 227 . 2 14 DT O4' 2 14 DT C1' 2 14 DT N1 2 14 DT C2 -165.00 -55.00 -118.83 -126.74 -108.07 . . 0 "[ . ]" 228 . 2 15 DT O4' 2 15 DT C1' 2 15 DT N1 2 15 DT C2 -165.00 -55.00 -115.77 -119.28 -110.77 . . 0 "[ . ]" 229 . 2 16 DC O4' 2 16 DC C1' 2 16 DC N1 2 16 DC C2 -165.00 -55.00 -97.14 -95.36 -99.32 . . 0 "[ . ]" 230 . 2 17 DC O4' 2 17 DC C1' 2 17 DC N1 2 17 DC C2 -165.00 -55.00 -136.25 -146.59 -127.85 . . 0 "[ . ]" stop_ save_
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