NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
547715 | 2lwk | 18633 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2lwk save_dihedral_constraint_statistics_1 _TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics _TA_constraint_stats_list.Constraint_count 242 _TA_constraint_stats_list.Viol_count 43 _TA_constraint_stats_list.Viol_total 1979.57 _TA_constraint_stats_list.Viol_max 5.88 _TA_constraint_stats_list.Viol_rms 0.35 _TA_constraint_stats_list.Viol_average_all_restraints 0.03 _TA_constraint_stats_list.Viol_average_violations_only 2.88 _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 17 U O4' 1 17 U C1' 1 17 U C2' 1 17 U C3' 20.00 50.00 21.04 19.66 22.70 0.34 5 0 "[ . 1 . ]" 2 . 1 17 U C1' 1 17 U C2' 1 17 U C3' 1 17 U C4' -50.00 -20.00 -26.56 -26.50 -26.58 . . 0 "[ . 1 . ]" 3 . 1 17 U C5' 1 17 U C4' 1 17 U C3' 1 17 U O3' 130.00 -170.00 149.38 149.85 149.74 . . 0 "[ . 1 . ]" 4 . 1 17 U O4' 1 17 U C1' 1 17 U N1 1 17 U C2 162.00 -118.00 -157.75 -158.22 -157.30 . . 0 "[ . 1 . ]" 5 . 1 17 U P 1 17 U O5' 1 17 U C5' 1 17 U C4' 138.00 -142.00 159.22 144.23 164.14 . . 0 "[ . 1 . ]" 6 . 1 17 U C4' 1 17 U C3' 1 17 U O3' 1 18 C P 167.00 -113.00 -138.00 -135.26 -136.23 . . 0 "[ . 1 . ]" 7 . 1 17 U C3' 1 17 U O3' 1 18 C P 1 18 C O5' -111.00 -31.00 -70.72 -70.88 -70.95 . . 0 "[ . 1 . ]" 8 . 1 18 C O4' 1 18 C C1' 1 18 C C2' 1 18 C C3' 20.00 50.00 27.21 27.56 27.50 . . 0 "[ . 1 . ]" 9 . 1 18 C C1' 1 18 C C2' 1 18 C C3' 1 18 C C4' -50.00 -20.00 -28.12 -27.70 -27.76 . . 0 "[ . 1 . ]" 10 . 1 18 C C5' 1 18 C C4' 1 18 C C3' 1 18 C O3' 130.00 -170.00 144.47 143.37 148.02 . . 0 "[ . 1 . ]" 11 . 1 18 C O4' 1 18 C C1' 1 18 C N1 1 18 C C2 152.00 -108.00 -156.53 -157.81 -155.72 . . 0 "[ . 1 . ]" 12 . 1 17 U O3' 1 18 C P 1 18 C O5' 1 18 C C5' -108.00 -28.00 -62.78 -64.10 -61.91 . . 0 "[ . 1 . ]" 13 . 1 18 C P 1 18 C O5' 1 18 C C5' 1 18 C C4' 138.00 -142.00 172.27 172.53 172.34 . . 0 "[ . 1 . ]" 14 . 1 18 C C4' 1 18 C C3' 1 18 C O3' 1 19 G P 167.00 -113.00 -159.55 -173.95 -157.58 . . 0 "[ . 1 . ]" 15 . 1 1 G O4' 1 1 G C1' 1 1 G C2' 1 1 G C3' -35.00 -5.00 -17.58 -13.23 -17.88 . . 0 "[ . 1 . ]" 16 . 1 1 G C1' 1 1 G C2' 1 1 G C3' 1 1 G C4' 20.00 50.00 32.77 30.02 34.38 . . 0 "[ . 1 . ]" 17 . 1 1 G C5' 1 1 G C4' 1 1 G C3' 1 1 G O3' 60.00 110.00 88.04 87.92 87.89 . . 0 "[ . 1 . ]" 18 . 1 1 G O4' 1 1 G C1' 1 1 G N9 1 1 G C4 150.00 -110.00 -156.77 -154.81 -159.89 . . 0 "[ . 1 . ]" 19 . 1 1 G O5' 1 1 G C5' 1 1 G C4' 1 1 G C3' 14.00 94.00 52.90 52.68 53.13 . . 0 "[ . 1 . ]" 20 . 1 1 G C4' 1 1 G C3' 1 1 G O3' 1 2 A P 167.00 -113.00 -150.97 -146.65 -150.71 . . 0 "[ . 1 . ]" 21 . 1 1 G C3' 1 1 G O3' 1 2 A P 1 2 A O5' -120.00 120.00 -73.74 -71.45 -72.67 . . 0 "[ . 1 . ]" 22 . 1 2 A O4' 1 2 A C1' 1 2 A C2' 1 2 A C3' -35.00 -5.00 -19.72 -24.41 -16.25 . . 0 "[ . 1 . ]" 23 . 1 2 A C1' 1 2 A C2' 1 2 A C3' 1 2 A C4' 20.00 50.00 33.87 33.80 33.47 . . 0 "[ . 1 . ]" 24 . 1 2 A C5' 1 2 A C4' 1 2 A C3' 1 2 A O3' 60.00 110.00 87.08 87.33 84.82 . . 0 "[ . 1 . ]" 25 . 1 2 A O4' 1 2 A C1' 1 2 A N9 1 2 A C4 150.00 -110.00 -158.43 -158.55 -159.12 . . 0 "[ . 1 . ]" 26 . 1 1 G O3' 1 2 A P 1 2 A O5' 1 2 A C5' -120.00 120.00 134.37 116.42 -65.69 5.88 5 4 "[ * +*- 1 . ]" 27 . 1 2 A P 1 2 A O5' 1 2 A C5' 1 2 A C4' 138.00 -142.00 168.75 161.65 175.17 . . 0 "[ . 1 . ]" 28 . 1 2 A O5' 1 2 A C5' 1 2 A C4' 1 2 A C3' 14.00 94.00 53.78 54.01 53.79 . . 0 "[ . 1 . ]" 29 . 1 2 A C4' 1 2 A C3' 1 2 A O3' 1 3 G P 167.00 -113.00 -156.25 -155.88 -156.33 . . 0 "[ . 1 . ]" 30 . 1 2 A C3' 1 2 A O3' 1 3 G P 1 3 G O5' -120.00 120.00 -72.78 -73.38 -73.49 . . 0 "[ . 1 . ]" 31 . 1 3 G O4' 1 3 G C1' 1 3 G C2' 1 3 G C3' -35.00 -5.00 -17.26 -16.55 -17.01 . . 0 "[ . 1 . ]" 32 . 1 3 G C1' 1 3 G C2' 1 3 G C3' 1 3 G C4' 20.00 50.00 33.91 33.60 34.33 . . 0 "[ . 1 . ]" 33 . 1 3 G C5' 1 3 G C4' 1 3 G C3' 1 3 G O3' 60.00 110.00 83.56 83.41 83.38 . . 0 "[ . 1 . ]" 34 . 1 3 G O4' 1 3 G C1' 1 3 G N9 1 3 G C4 160.00 -120.00 -158.08 -158.39 -157.91 . . 0 "[ . 1 . ]" 35 . 1 2 A O3' 1 3 G P 1 3 G O5' 1 3 G C5' -120.00 120.00 -65.14 -65.23 -65.26 . . 0 "[ . 1 . ]" 36 . 1 3 G P 1 3 G O5' 1 3 G C5' 1 3 G C4' 140.00 -140.00 173.72 173.53 173.50 . . 0 "[ . 1 . ]" 37 . 1 3 G O5' 1 3 G C5' 1 3 G C4' 1 3 G C3' 14.00 94.00 53.97 53.93 53.87 . . 0 "[ . 1 . ]" 38 . 1 3 G C4' 1 3 G C3' 1 3 G O3' 1 4 U P 167.00 -113.00 -154.87 -155.31 -154.41 . . 0 "[ . 1 . ]" 39 . 1 3 G C3' 1 3 G O3' 1 4 U P 1 4 U O5' -120.00 120.00 -71.25 -71.48 -70.98 . . 0 "[ . 1 . ]" 40 . 1 4 U O4' 1 4 U C1' 1 4 U C2' 1 4 U C3' -35.00 -5.00 -20.35 -20.21 -20.44 . . 0 "[ . 1 . ]" 41 . 1 4 U C1' 1 4 U C2' 1 4 U C3' 1 4 U C4' 20.00 50.00 36.09 35.78 36.38 . . 0 "[ . 1 . ]" 42 . 1 4 U C5' 1 4 U C4' 1 4 U C3' 1 4 U O3' 60.00 110.00 82.42 82.25 82.65 . . 0 "[ . 1 . ]" 43 . 1 4 U O4' 1 4 U C1' 1 4 U N1 1 4 U C2 150.00 -110.00 -155.17 -155.41 -154.89 . . 0 "[ . 1 . ]" 44 . 1 4 U P 1 4 U O5' 1 4 U C5' 1 4 U C4' 140.00 -140.00 171.12 170.81 171.41 . . 0 "[ . 1 . ]" 45 . 1 4 U O5' 1 4 U C5' 1 4 U C4' 1 4 U C3' 14.00 94.00 54.48 54.59 54.19 . . 0 "[ . 1 . ]" 46 . 1 5 A O4' 1 5 A C1' 1 5 A C2' 1 5 A C3' -35.00 -5.00 -18.95 -20.17 -17.48 . . 0 "[ . 1 . ]" 47 . 1 5 A C1' 1 5 A C2' 1 5 A C3' 1 5 A C4' 20.00 50.00 37.01 37.21 37.09 . . 0 "[ . 1 . ]" 48 . 1 5 A O4' 1 5 A C1' 1 5 A N9 1 5 A C4 150.00 -110.00 -157.39 -157.25 -157.60 . . 0 "[ . 1 . ]" 49 . 1 4 U O3' 1 5 A P 1 5 A O5' 1 5 A C5' -120.00 120.00 -67.13 -66.91 -67.41 . . 0 "[ . 1 . ]" 50 . 1 5 A P 1 5 A O5' 1 5 A C5' 1 5 A C4' 140.00 -140.00 172.99 172.08 174.21 . . 0 "[ . 1 . ]" 51 . 1 5 A O5' 1 5 A C5' 1 5 A C4' 1 5 A C3' 14.00 94.00 52.55 52.63 52.09 . . 0 "[ . 1 . ]" 52 . 1 5 A C4' 1 5 A C3' 1 5 A O3' 1 5 A P -140.00 -60.00 -65.90 -65.79 -65.89 . . 0 "[ . 1 . ]" 53 . 1 5 A C3' 1 5 A O3' 1 6 G P 1 6 G O5' -120.00 120.00 -74.10 -74.34 -73.48 . . 0 "[ . 1 . ]" 54 . 1 6 G O4' 1 6 G C1' 1 6 G C2' 1 6 G C3' -35.00 -5.00 -11.90 -12.67 -10.98 . . 0 "[ . 1 . ]" 55 . 1 6 G C1' 1 6 G C2' 1 6 G C3' 1 6 G C4' 20.00 50.00 31.00 31.00 30.93 . . 0 "[ . 1 . ]" 56 . 1 6 G C5' 1 6 G C4' 1 6 G C3' 1 6 G O3' 60.00 110.00 83.72 83.77 83.63 . . 0 "[ . 1 . ]" 57 . 1 6 G O4' 1 6 G C1' 1 6 G N9 1 6 G C4 150.00 -110.00 -158.80 -158.82 -158.83 . . 0 "[ . 1 . ]" 58 . 1 5 A O3' 1 6 G P 1 6 G O5' 1 6 G C5' -120.00 120.00 -65.07 -65.03 -65.12 . . 0 "[ . 1 . ]" 59 . 1 6 G P 1 6 G O5' 1 6 G C5' 1 6 G C4' 140.00 -140.00 171.58 171.65 171.64 . . 0 "[ . 1 . ]" 60 . 1 6 G O5' 1 6 G C5' 1 6 G C4' 1 6 G C3' 14.00 94.00 54.79 54.68 54.52 . . 0 "[ . 1 . ]" 61 . 1 6 G C3' 1 6 G O3' 1 7 A P 1 7 A O5' -120.00 120.00 -69.85 -70.23 -69.56 . . 0 "[ . 1 . ]" 62 . 1 7 A O4' 1 7 A C1' 1 7 A C2' 1 7 A C3' -35.00 -5.00 -17.98 -18.78 -17.00 . . 0 "[ . 1 . ]" 63 . 1 7 A C1' 1 7 A C2' 1 7 A C3' 1 7 A C4' 20.00 50.00 34.13 34.26 34.20 . . 0 "[ . 1 . ]" 64 . 1 7 A C5' 1 7 A C4' 1 7 A C3' 1 7 A O3' 70.00 150.00 86.33 86.37 86.12 . . 0 "[ . 1 . ]" 65 . 1 7 A O4' 1 7 A C1' 1 7 A N9 1 7 A C4 150.00 -110.00 -154.68 -155.18 -154.21 . . 0 "[ . 1 . ]" 66 . 1 6 G O3' 1 7 A P 1 7 A O5' 1 7 A C5' -120.00 120.00 -62.00 -61.94 -62.14 . . 0 "[ . 1 . ]" 67 . 1 7 A P 1 7 A O5' 1 7 A C5' 1 7 A C4' 140.00 -140.00 171.87 171.49 172.16 . . 0 "[ . 1 . ]" 68 . 1 7 A O5' 1 7 A C5' 1 7 A C4' 1 7 A C3' 14.00 94.00 56.30 56.31 56.17 . . 0 "[ . 1 . ]" 69 . 1 7 A C4' 1 7 A C3' 1 7 A O3' 1 8 A P 167.00 -113.00 -154.24 -155.06 -153.39 . . 0 "[ . 1 . ]" 70 . 1 7 A C3' 1 7 A O3' 1 8 A P 1 8 A O5' -120.00 120.00 -71.90 -72.08 -71.58 . . 0 "[ . 1 . ]" 71 . 1 8 A O4' 1 8 A C1' 1 8 A C2' 1 8 A C3' -35.00 -5.00 -15.65 -16.45 -14.96 . . 0 "[ . 1 . ]" 72 . 1 8 A C1' 1 8 A C2' 1 8 A C3' 1 8 A C4' 20.00 50.00 31.48 31.63 31.55 . . 0 "[ . 1 . ]" 73 . 1 8 A C5' 1 8 A C4' 1 8 A C3' 1 8 A O3' 60.00 110.00 84.48 84.40 84.28 . . 0 "[ . 1 . ]" 74 . 1 8 A O4' 1 8 A C1' 1 8 A N9 1 8 A C4 150.00 -110.00 -155.79 -156.13 -155.48 . . 0 "[ . 1 . ]" 75 . 1 7 A O3' 1 8 A P 1 8 A O5' 1 8 A C5' -120.00 120.00 -65.52 -65.57 -65.65 . . 0 "[ . 1 . ]" 76 . 1 8 A P 1 8 A O5' 1 8 A C5' 1 8 A C4' 140.00 -140.00 171.36 171.45 171.33 . . 0 "[ . 1 . ]" 77 . 1 8 A O5' 1 8 A C5' 1 8 A C4' 1 8 A C3' 14.00 94.00 53.58 53.40 53.26 . . 0 "[ . 1 . ]" 78 . 1 8 A C4' 1 8 A C3' 1 8 A O3' 1 9 A P 167.00 -113.00 -157.13 -158.01 -156.34 . . 0 "[ . 1 . ]" 79 . 1 8 A C3' 1 8 A O3' 1 9 A P 1 9 A O5' -120.00 120.00 -76.46 -76.89 -77.14 . . 0 "[ . 1 . ]" 80 . 1 9 A O4' 1 9 A C1' 1 9 A C2' 1 9 A C3' -35.00 -5.00 -13.65 -14.95 -12.39 . . 0 "[ . 1 . ]" 81 . 1 9 A C1' 1 9 A C2' 1 9 A C3' 1 9 A C4' 20.00 50.00 30.81 31.41 31.28 . . 0 "[ . 1 . ]" 82 . 1 9 A C5' 1 9 A C4' 1 9 A C3' 1 9 A O3' 60.00 110.00 85.52 85.42 85.36 . . 0 "[ . 1 . ]" 83 . 1 9 A O4' 1 9 A C1' 1 9 A N9 1 9 A C4 150.00 -110.00 -155.28 -155.55 -154.75 . . 0 "[ . 1 . ]" 84 . 1 9 A P 1 9 A O5' 1 9 A C5' 1 9 A C4' 140.00 -140.00 172.28 172.07 172.05 . . 0 "[ . 1 . ]" 85 . 1 10 C O4' 1 10 C C1' 1 10 C C2' 1 10 C C3' -35.00 -5.00 -10.13 -11.73 -9.02 . . 0 "[ . 1 . ]" 86 . 1 10 C C1' 1 10 C C2' 1 10 C C3' 1 10 C C4' 20.00 50.00 30.44 31.64 31.44 . . 0 "[ . 1 . ]" 87 . 1 10 C C5' 1 10 C C4' 1 10 C C3' 1 10 C O3' 60.00 110.00 84.21 83.39 83.35 . . 0 "[ . 1 . ]" 88 . 1 10 C O4' 1 10 C C1' 1 10 C N1 1 10 C C2 150.00 -110.00 -155.57 -155.91 -156.07 . . 0 "[ . 1 . ]" 89 . 1 10 C P 1 10 C O5' 1 10 C C5' 1 10 C C4' 140.00 -140.00 172.52 172.35 172.25 . . 0 "[ . 1 . ]" 90 . 1 10 C C4' 1 10 C C3' 1 10 C O3' 1 11 A P 167.00 -113.00 -156.11 -160.93 -152.36 . . 0 "[ . 1 . ]" 91 . 1 10 C C3' 1 10 C O3' 1 11 A P 1 11 A O5' -120.00 120.00 -89.14 -95.18 -75.32 . . 0 "[ . 1 . ]" 92 . 1 11 A O4' 1 11 A C1' 1 11 A C2' 1 11 A C3' -35.00 -5.00 -13.15 -16.16 -16.20 1.58 8 0 "[ . 1 . ]" 93 . 1 11 A C1' 1 11 A C2' 1 11 A C3' 1 11 A C4' 20.00 50.00 29.20 20.40 32.80 . . 0 "[ . 1 . ]" 94 . 1 11 A O4' 1 11 A C1' 1 11 A N9 1 11 A C4 150.00 -110.00 -150.96 -162.57 -124.97 . . 0 "[ . 1 . ]" 95 . 1 11 A P 1 11 A O5' 1 11 A C5' 1 11 A C4' 140.00 -140.00 176.04 176.88 175.03 . . 0 "[ . 1 . ]" 96 . 1 11 A C4' 1 11 A C3' 1 11 A O3' 1 12 A P 167.00 -113.00 -166.19 -158.95 -159.03 . . 0 "[ . 1 . ]" 97 . 1 12 A O4' 1 12 A C1' 1 12 A C2' 1 12 A C3' -35.00 -5.00 -19.30 -24.32 -14.83 . . 0 "[ . 1 . ]" 98 . 1 12 A C1' 1 12 A C2' 1 12 A C3' 1 12 A C4' 20.00 50.00 31.82 32.35 32.21 . . 0 "[ . 1 . ]" 99 . 1 12 A O4' 1 12 A C1' 1 12 A N9 1 12 A C4 150.00 -110.00 -160.09 -164.16 -156.86 . . 0 "[ . 1 . ]" 100 . 1 12 A P 1 12 A O5' 1 12 A C5' 1 12 A C4' 140.00 -140.00 176.59 171.55 -178.69 . . 0 "[ . 1 . ]" 101 . 1 12 A C4' 1 12 A C3' 1 12 A O3' 1 13 G P 167.00 -113.00 -155.31 -159.11 -150.81 . . 0 "[ . 1 . ]" 102 . 1 12 A C3' 1 12 A O3' 1 13 G P 1 13 G O5' -120.00 120.00 -73.26 -74.38 -74.78 . . 0 "[ . 1 . ]" 103 . 1 13 G O4' 1 13 G C1' 1 13 G C2' 1 13 G C3' -35.00 -5.00 -19.99 -22.66 -16.34 . . 0 "[ . 1 . ]" 104 . 1 13 G C1' 1 13 G C2' 1 13 G C3' 1 13 G C4' 20.00 50.00 35.27 34.45 34.17 . . 0 "[ . 1 . ]" 105 . 1 13 G C5' 1 13 G C4' 1 13 G C3' 1 13 G O3' 60.00 110.00 85.29 84.09 83.89 . . 0 "[ . 1 . ]" 106 . 1 13 G O4' 1 13 G C1' 1 13 G N9 1 13 G C4 150.00 -110.00 -158.13 -158.45 -158.67 . . 0 "[ . 1 . ]" 107 . 1 12 A O3' 1 13 G P 1 13 G O5' 1 13 G C5' -120.00 120.00 -65.65 -65.34 -65.48 . . 0 "[ . 1 . ]" 108 . 1 13 G P 1 13 G O5' 1 13 G C5' 1 13 G C4' 140.00 -140.00 170.66 168.16 172.37 . . 0 "[ . 1 . ]" 109 . 1 13 G O5' 1 13 G C5' 1 13 G C4' 1 13 G C3' 14.00 94.00 54.07 54.19 54.04 . . 0 "[ . 1 . ]" 110 . 1 13 G C4' 1 13 G C3' 1 13 G O3' 1 14 G P 167.00 -113.00 -156.16 -157.11 -155.19 . . 0 "[ . 1 . ]" 111 . 1 13 G C3' 1 13 G O3' 1 14 G P 1 14 G O5' -120.00 120.00 -72.17 -72.99 -71.25 . . 0 "[ . 1 . ]" 112 . 1 14 G O4' 1 14 G C1' 1 14 G C2' 1 14 G C3' -35.00 -5.00 -17.57 -18.35 -16.36 . . 0 "[ . 1 . ]" 113 . 1 14 G C1' 1 14 G C2' 1 14 G C3' 1 14 G C4' 20.00 50.00 33.89 33.82 33.72 . . 0 "[ . 1 . ]" 114 . 1 14 G C5' 1 14 G C4' 1 14 G C3' 1 14 G O3' 60.00 110.00 84.45 84.13 83.92 . . 0 "[ . 1 . ]" 115 . 1 14 G O4' 1 14 G C1' 1 14 G N9 1 14 G C4 150.00 -110.00 -158.78 -158.47 -158.62 . . 0 "[ . 1 . ]" 116 . 1 13 G O3' 1 14 G P 1 14 G O5' 1 14 G C5' -120.00 120.00 -65.30 -65.68 -64.73 . . 0 "[ . 1 . ]" 117 . 1 14 G P 1 14 G O5' 1 14 G C5' 1 14 G C4' 140.00 -140.00 174.68 174.12 177.08 . . 0 "[ . 1 . ]" 118 . 1 14 G O5' 1 14 G C5' 1 14 G C4' 1 14 G C3' 14.00 94.00 53.38 53.44 53.39 . . 0 "[ . 1 . ]" 119 . 1 14 G C4' 1 14 G C3' 1 14 G O3' 1 15 C P 167.00 -113.00 -153.94 -154.46 -154.75 . . 0 "[ . 1 . ]" 120 . 1 15 C O4' 1 15 C C1' 1 15 C C2' 1 15 C C3' -35.00 -5.00 -18.18 -18.70 -16.75 . . 0 "[ . 1 . ]" 121 . 1 15 C C1' 1 15 C C2' 1 15 C C3' 1 15 C C4' 20.00 50.00 34.25 34.28 34.24 . . 0 "[ . 1 . ]" 122 . 1 15 C C5' 1 15 C C4' 1 15 C C3' 1 15 C O3' 60.00 110.00 84.07 83.91 83.70 . . 0 "[ . 1 . ]" 123 . 1 15 C O4' 1 15 C C1' 1 15 C N1 1 15 C C2 150.00 -110.00 -156.30 -156.14 -156.20 . . 0 "[ . 1 . ]" 124 . 1 15 C P 1 15 C O5' 1 15 C C5' 1 15 C C4' 140.00 -140.00 174.98 174.33 176.68 . . 0 "[ . 1 . ]" 125 . 1 15 C O5' 1 15 C C5' 1 15 C C4' 1 15 C C3' 14.00 94.00 52.29 51.57 52.50 . . 0 "[ . 1 . ]" 126 . 1 15 C C4' 1 15 C C3' 1 15 C O3' 1 16 U P 167.00 -113.00 -151.78 -151.93 -152.23 . . 0 "[ . 1 . ]" 127 . 1 15 C C3' 1 15 C O3' 1 16 U P 1 16 U O5' -120.00 120.00 -71.83 -71.56 -71.70 . . 0 "[ . 1 . ]" 128 . 1 16 U O4' 1 16 U C1' 1 16 U C2' 1 16 U C3' -35.00 -5.00 -14.44 -15.19 -13.84 . . 0 "[ . 1 . ]" 129 . 1 16 U C1' 1 16 U C2' 1 16 U C3' 1 16 U C4' 20.00 50.00 31.76 31.95 31.81 . . 0 "[ . 1 . ]" 130 . 1 16 U C5' 1 16 U C4' 1 16 U C3' 1 16 U O3' 60.00 110.00 85.63 85.55 85.50 . . 0 "[ . 1 . ]" 131 . 1 16 U O4' 1 16 U C1' 1 16 U N1 1 16 U C2 160.00 -120.00 -156.47 -157.53 -155.48 . . 0 "[ . 1 . ]" 132 . 1 15 C O3' 1 16 U P 1 16 U O5' 1 16 U C5' -120.00 120.00 -67.14 -67.56 -66.91 . . 0 "[ . 1 . ]" 133 . 1 16 U P 1 16 U O5' 1 16 U C5' 1 16 U C4' 138.00 -142.00 172.92 172.14 173.52 . . 0 "[ . 1 . ]" 134 . 1 16 U C4' 1 16 U C3' 1 16 U O3' 1 17 U P 167.00 -113.00 -154.48 -155.29 -151.58 . . 0 "[ . 1 . ]" 135 . 1 16 U C3' 1 16 U O3' 1 17 U P 1 17 U O5' -120.00 120.00 -98.06 -98.12 -98.30 . . 0 "[ . 1 . ]" 136 . 1 19 G O4' 1 19 G C1' 1 19 G C2' 1 19 G C3' -35.00 -5.00 -0.70 -0.48 -0.49 4.52 2 0 "[ . 1 . ]" 137 . 1 19 G C1' 1 19 G C2' 1 19 G C3' 1 19 G C4' 20.00 50.00 18.50 18.03 19.21 1.97 9 0 "[ . 1 . ]" 138 . 1 19 G C5' 1 19 G C4' 1 19 G C3' 1 19 G O3' 60.00 110.00 93.15 93.30 93.24 . . 0 "[ . 1 . ]" 139 . 1 18 C O3' 1 19 G P 1 19 G O5' 1 19 G C5' -120.00 120.00 -73.48 -73.95 -74.00 . . 0 "[ . 1 . ]" 140 . 1 19 G C4' 1 19 G C3' 1 19 G O3' 1 20 G P 167.00 -113.00 -173.02 -175.53 -152.73 . . 0 "[ . 1 . ]" 141 . 1 20 G O4' 1 20 G C1' 1 20 G C2' 1 20 G C3' -35.00 -5.00 -23.16 -26.13 -22.54 . . 0 "[ . 1 . ]" 142 . 1 20 G C1' 1 20 G C2' 1 20 G C3' 1 20 G C4' 20.00 50.00 32.41 32.13 33.51 . . 0 "[ . 1 . ]" 143 . 1 20 G C5' 1 20 G C4' 1 20 G C3' 1 20 G O3' 60.00 110.00 93.22 93.35 93.21 . . 0 "[ . 1 . ]" 144 . 1 20 G O4' 1 20 G C1' 1 20 G N9 1 20 G C4 160.00 -120.00 -154.24 -157.36 -148.92 . . 0 "[ . 1 . ]" 145 . 1 20 G P 1 20 G O5' 1 20 G C5' 1 20 G C4' 118.00 -122.00 -134.54 165.77 -129.76 . . 0 "[ . 1 . ]" 146 . 1 20 G C4' 1 20 G C3' 1 20 G O3' 1 21 C P 167.00 -113.00 -150.27 -150.40 -150.87 . . 0 "[ . 1 . ]" 147 . 1 20 G C3' 1 20 G O3' 1 21 C P 1 21 C O5' -120.00 120.00 -73.38 -73.87 -71.31 . . 0 "[ . 1 . ]" 148 . 1 21 C O4' 1 21 C C1' 1 21 C C2' 1 21 C C3' -35.00 -5.00 -14.01 -15.89 -13.03 . . 0 "[ . 1 . ]" 149 . 1 21 C C1' 1 21 C C2' 1 21 C C3' 1 21 C C4' 20.00 50.00 31.40 30.52 32.63 . . 0 "[ . 1 . ]" 150 . 1 21 C C5' 1 21 C C4' 1 21 C C3' 1 21 C O3' 60.00 110.00 86.38 86.55 86.45 . . 0 "[ . 1 . ]" 151 . 1 21 C O4' 1 21 C C1' 1 21 C N1 1 21 C C2 150.00 -110.00 -156.18 -155.97 -156.10 . . 0 "[ . 1 . ]" 152 . 1 20 G O3' 1 21 C P 1 21 C O5' 1 21 C C5' -120.00 120.00 -67.58 -68.66 -64.63 . . 0 "[ . 1 . ]" 153 . 1 21 C P 1 21 C O5' 1 21 C C5' 1 21 C C4' 140.00 -140.00 175.37 174.68 174.37 . . 0 "[ . 1 . ]" 154 . 1 21 C O5' 1 21 C C5' 1 21 C C4' 1 21 C C3' 14.00 94.00 51.48 50.89 53.27 . . 0 "[ . 1 . ]" 155 . 1 21 C C4' 1 21 C C3' 1 21 C O3' 1 22 C P 167.00 -113.00 -152.36 -153.92 -151.58 . . 0 "[ . 1 . ]" 156 . 1 21 C C3' 1 21 C O3' 1 22 C P 1 22 C O5' -120.00 120.00 -74.33 -76.35 -73.56 . . 0 "[ . 1 . ]" 157 . 1 22 C O4' 1 22 C C1' 1 22 C C2' 1 22 C C3' -35.00 -5.00 -10.41 -11.22 -9.78 . . 0 "[ . 1 . ]" 158 . 1 22 C C1' 1 22 C C2' 1 22 C C3' 1 22 C C4' 20.00 50.00 27.14 27.06 26.95 . . 0 "[ . 1 . ]" 159 . 1 22 C C5' 1 22 C C4' 1 22 C C3' 1 22 C O3' 60.00 110.00 88.30 88.37 88.21 . . 0 "[ . 1 . ]" 160 . 1 22 C O4' 1 22 C C1' 1 22 C N1 1 22 C C2 150.00 -110.00 -152.95 -151.00 -151.35 . . 0 "[ . 1 . ]" 161 . 1 21 C O3' 1 22 C P 1 22 C O5' 1 22 C C5' -120.00 120.00 -66.71 -66.62 -66.63 . . 0 "[ . 1 . ]" 162 . 1 22 C P 1 22 C O5' 1 22 C C5' 1 22 C C4' 140.00 -140.00 174.03 174.14 173.95 . . 0 "[ . 1 . ]" 163 . 1 22 C O5' 1 22 C C5' 1 22 C C4' 1 22 C C3' 14.00 94.00 53.38 52.84 54.68 . . 0 "[ . 1 . ]" 164 . 1 22 C C4' 1 22 C C3' 1 22 C O3' 1 23 U P 167.00 -113.00 -151.89 -149.79 -149.95 . . 0 "[ . 1 . ]" 165 . 1 22 C C3' 1 22 C O3' 1 23 U P 1 23 U O5' -120.00 120.00 -72.90 -74.45 -69.57 . . 0 "[ . 1 . ]" 166 . 1 23 U O4' 1 23 U C1' 1 23 U C2' 1 23 U C3' -35.00 -5.00 -18.07 -19.62 -19.76 . . 0 "[ . 1 . ]" 167 . 1 23 U C1' 1 23 U C2' 1 23 U C3' 1 23 U C4' 20.00 50.00 34.31 32.19 35.09 . . 0 "[ . 1 . ]" 168 . 1 23 U C5' 1 23 U C4' 1 23 U C3' 1 23 U O3' 60.00 110.00 85.64 87.28 87.15 . . 0 "[ . 1 . ]" 169 . 1 23 U O4' 1 23 U C1' 1 23 U N1 1 23 U C2 150.00 -110.00 -162.74 -162.27 -162.52 . . 0 "[ . 1 . ]" 170 . 1 22 C O3' 1 23 U P 1 23 U O5' 1 23 U C5' -120.00 120.00 -61.48 -63.60 -57.34 . . 0 "[ . 1 . ]" 171 . 1 23 U P 1 23 U O5' 1 23 U C5' 1 23 U C4' 140.00 -140.00 -174.84 178.47 -168.69 . . 0 "[ . 1 . ]" 172 . 1 24 G O4' 1 24 G C1' 1 24 G C2' 1 24 G C3' -35.00 -5.00 -20.71 -22.12 -22.52 . . 0 "[ . 1 . ]" 173 . 1 24 G C1' 1 24 G C2' 1 24 G C3' 1 24 G C4' 20.00 50.00 35.33 33.18 36.12 . . 0 "[ . 1 . ]" 174 . 1 24 G O4' 1 24 G C1' 1 24 G N9 1 24 G C4 150.00 -110.00 -158.07 -163.92 -156.07 . . 0 "[ . 1 . ]" 175 . 1 24 G P 1 24 G O5' 1 24 G C5' 1 24 G C4' 140.00 -140.00 170.95 167.02 179.45 . . 0 "[ . 1 . ]" 176 . 1 24 G C4' 1 24 G C3' 1 24 G O3' 1 25 C P 167.00 -113.00 -158.29 -160.00 -151.09 . . 0 "[ . 1 . ]" 177 . 1 25 C O4' 1 25 C C1' 1 25 C C2' 1 25 C C3' -35.00 -5.00 -22.45 -22.50 -22.60 . . 0 "[ . 1 . ]" 178 . 1 25 C C1' 1 25 C C2' 1 25 C C3' 1 25 C C4' 20.00 50.00 36.13 35.68 36.48 . . 0 "[ . 1 . ]" 179 . 1 25 C C5' 1 25 C C4' 1 25 C C3' 1 25 C O3' 60.00 110.00 82.82 83.01 82.97 . . 0 "[ . 1 . ]" 180 . 1 25 C O4' 1 25 C C1' 1 25 C N1 1 25 C C2 150.00 -110.00 -154.94 -156.46 -154.45 . . 0 "[ . 1 . ]" 181 . 1 24 G O3' 1 25 C P 1 25 C O5' 1 25 C C5' -120.00 120.00 -63.82 -63.44 -63.59 . . 0 "[ . 1 . ]" 182 . 1 25 C P 1 25 C O5' 1 25 C C5' 1 25 C C4' 140.00 -140.00 172.93 172.00 173.57 . . 0 "[ . 1 . ]" 183 . 1 25 C O5' 1 25 C C5' 1 25 C C4' 1 25 C C3' 14.00 94.00 56.94 57.18 56.81 . . 0 "[ . 1 . ]" 184 . 1 25 C C4' 1 25 C C3' 1 25 C O3' 1 26 U P 167.00 -113.00 -154.95 -156.93 -152.19 . . 0 "[ . 1 . ]" 185 . 1 25 C C3' 1 25 C O3' 1 26 U P 1 26 U O5' -120.00 120.00 -71.15 -71.28 -71.36 . . 0 "[ . 1 . ]" 186 . 1 26 U O4' 1 26 U C1' 1 26 U C2' 1 26 U C3' -35.00 -5.00 -19.39 -19.34 -19.55 . . 0 "[ . 1 . ]" 187 . 1 26 U C1' 1 26 U C2' 1 26 U C3' 1 26 U C4' 20.00 50.00 34.99 34.53 35.31 . . 0 "[ . 1 . ]" 188 . 1 26 U C5' 1 26 U C4' 1 26 U C3' 1 26 U O3' 60.00 110.00 83.14 82.69 83.73 . . 0 "[ . 1 . ]" 189 . 1 26 U O4' 1 26 U C1' 1 26 U N1 1 26 U C2 150.00 -110.00 -155.06 -155.45 -154.63 . . 0 "[ . 1 . ]" 190 . 1 25 C O3' 1 26 U P 1 26 U O5' 1 26 U C5' -120.00 120.00 -64.36 -64.38 -64.54 . . 0 "[ . 1 . ]" 191 . 1 26 U P 1 26 U O5' 1 26 U C5' 1 26 U C4' 140.00 -140.00 172.19 171.03 173.69 . . 0 "[ . 1 . ]" 192 . 1 26 U O5' 1 26 U C5' 1 26 U C4' 1 26 U C3' 14.00 94.00 55.37 55.27 54.98 . . 0 "[ . 1 . ]" 193 . 1 26 U C4' 1 26 U C3' 1 26 U O3' 1 27 U P 167.00 -113.00 -156.60 -157.25 -155.82 . . 0 "[ . 1 . ]" 194 . 1 26 U C3' 1 26 U O3' 1 27 U P 1 27 U O5' -120.00 120.00 -71.28 -71.68 -70.89 . . 0 "[ . 1 . ]" 195 . 1 27 U O4' 1 27 U C1' 1 27 U C2' 1 27 U C3' -35.00 -5.00 -19.15 -19.94 -18.20 . . 0 "[ . 1 . ]" 196 . 1 27 U C1' 1 27 U C2' 1 27 U C3' 1 27 U C4' 20.00 50.00 34.64 34.23 35.07 . . 0 "[ . 1 . ]" 197 . 1 27 U C5' 1 27 U C4' 1 27 U C3' 1 27 U O3' 60.00 110.00 83.05 83.42 83.25 . . 0 "[ . 1 . ]" 198 . 1 27 U O4' 1 27 U C1' 1 27 U N1 1 27 U C2 150.00 -110.00 -154.93 -155.07 -154.70 . . 0 "[ . 1 . ]" 199 . 1 26 U O3' 1 27 U P 1 27 U O5' 1 27 U C5' -120.00 120.00 -63.70 -63.64 -63.77 . . 0 "[ . 1 . ]" 200 . 1 27 U P 1 27 U O5' 1 27 U C5' 1 27 U C4' 140.00 -140.00 172.13 171.71 172.74 . . 0 "[ . 1 . ]" 201 . 1 27 U O5' 1 27 U C5' 1 27 U C4' 1 27 U C3' 14.00 94.00 55.31 55.46 55.25 . . 0 "[ . 1 . ]" 202 . 1 27 U C4' 1 27 U C3' 1 27 U O3' 1 28 U P 167.00 -113.00 -154.98 -155.75 -154.06 . . 0 "[ . 1 . ]" 203 . 1 27 U C3' 1 27 U O3' 1 28 U P 1 28 U O5' -120.00 120.00 -72.51 -73.01 -71.80 . . 0 "[ . 1 . ]" 204 . 1 28 U O4' 1 28 U C1' 1 28 U C2' 1 28 U C3' -35.00 -5.00 -20.56 -21.50 -18.47 . . 0 "[ . 1 . ]" 205 . 1 28 U C1' 1 28 U C2' 1 28 U C3' 1 28 U C4' 20.00 50.00 36.29 35.31 36.86 . . 0 "[ . 1 . ]" 206 . 1 28 U C5' 1 28 U C4' 1 28 U C3' 1 28 U O3' 60.00 110.00 82.74 82.80 82.74 . . 0 "[ . 1 . ]" 207 . 1 28 U O4' 1 28 U C1' 1 28 U N1 1 28 U C2 150.00 -110.00 -155.29 -155.01 -155.08 . . 0 "[ . 1 . ]" 208 . 1 28 U P 1 28 U O5' 1 28 U C5' 1 28 U C4' 140.00 -140.00 169.26 168.81 170.00 . . 0 "[ . 1 . ]" 209 . 1 28 U O5' 1 28 U C5' 1 28 U C4' 1 28 U C3' 14.00 94.00 54.57 54.62 54.53 . . 0 "[ . 1 . ]" 210 . 1 28 U C4' 1 28 U C3' 1 28 U O3' 1 29 U P 167.00 -113.00 -157.89 -158.72 -156.70 . . 0 "[ . 1 . ]" 211 . 1 28 U C3' 1 28 U O3' 1 29 U P 1 29 U O5' -120.00 120.00 -77.43 -76.97 -77.75 . . 0 "[ . 1 . ]" 212 . 1 29 U O4' 1 29 U C1' 1 29 U C2' 1 29 U C3' -35.00 -5.00 -21.63 -22.59 -21.04 . . 0 "[ . 1 . ]" 213 . 1 29 U C1' 1 29 U C2' 1 29 U C3' 1 29 U C4' 20.00 50.00 36.72 36.79 36.76 . . 0 "[ . 1 . ]" 214 . 1 29 U O4' 1 29 U C1' 1 29 U N1 1 29 U C2 150.00 -110.00 -154.99 -154.83 -154.96 . . 0 "[ . 1 . ]" 215 . 1 28 U O3' 1 29 U P 1 29 U O5' 1 29 U C5' -120.00 120.00 -66.27 -66.27 -66.53 . . 0 "[ . 1 . ]" 216 . 1 29 U P 1 29 U O5' 1 29 U C5' 1 29 U C4' 140.00 -140.00 172.33 170.50 173.42 . . 0 "[ . 1 . ]" 217 . 1 29 U C4' 1 29 U C3' 1 29 U O3' 1 30 G P 167.00 -113.00 -154.28 -155.01 -153.18 . . 0 "[ . 1 . ]" 218 . 1 30 G O4' 1 30 G C1' 1 30 G C2' 1 30 G C3' -35.00 -5.00 -15.47 -15.94 -14.97 . . 0 "[ . 1 . ]" 219 . 1 30 G C1' 1 30 G C2' 1 30 G C3' 1 30 G C4' 20.00 50.00 31.96 32.00 31.97 . . 0 "[ . 1 . ]" 220 . 1 30 G C5' 1 30 G C4' 1 30 G C3' 1 30 G O3' 60.00 110.00 83.80 83.79 83.68 . . 0 "[ . 1 . ]" 221 . 1 30 G O4' 1 30 G C1' 1 30 G N9 1 30 G C4 150.00 -110.00 -157.92 -157.69 -157.92 . . 0 "[ . 1 . ]" 222 . 1 29 U O3' 1 30 G P 1 30 G O5' 1 30 G C5' -120.00 120.00 -65.08 -64.91 -65.13 . . 0 "[ . 1 . ]" 223 . 1 30 G P 1 30 G O5' 1 30 G C5' 1 30 G C4' 140.00 -140.00 172.29 171.88 172.70 . . 0 "[ . 1 . ]" 224 . 1 30 G O5' 1 30 G C5' 1 30 G C4' 1 30 G C3' 14.00 94.00 54.03 54.14 54.06 . . 0 "[ . 1 . ]" 225 . 1 30 G C4' 1 30 G C3' 1 30 G O3' 1 31 C P 167.00 -113.00 -153.35 -153.85 -152.90 . . 0 "[ . 1 . ]" 226 . 1 30 G C3' 1 30 G O3' 1 31 C P 1 31 C O5' -120.00 120.00 -71.85 -72.34 -71.55 . . 0 "[ . 1 . ]" 227 . 1 31 C O4' 1 31 C C1' 1 31 C C2' 1 31 C C3' -35.00 -5.00 -15.69 -16.17 -15.28 . . 0 "[ . 1 . ]" 228 . 1 31 C C1' 1 31 C C2' 1 31 C C3' 1 31 C C4' 20.00 50.00 32.39 32.61 32.54 . . 0 "[ . 1 . ]" 229 . 1 31 C C5' 1 31 C C4' 1 31 C C3' 1 31 C O3' 60.00 110.00 84.72 84.80 84.74 . . 0 "[ . 1 . ]" 230 . 1 31 C O4' 1 31 C C1' 1 31 C N1 1 31 C C2 150.00 -110.00 -156.22 -156.21 -156.45 . . 0 "[ . 1 . ]" 231 . 1 30 G O3' 1 31 C P 1 31 C O5' 1 31 C C5' -120.00 120.00 -66.27 -66.01 -66.18 . . 0 "[ . 1 . ]" 232 . 1 31 C P 1 31 C O5' 1 31 C C5' 1 31 C C4' 140.00 -140.00 172.32 171.91 172.66 . . 0 "[ . 1 . ]" 233 . 1 31 C O5' 1 31 C C5' 1 31 C C4' 1 31 C C3' 14.00 94.00 53.36 53.58 53.47 . . 0 "[ . 1 . ]" 234 . 1 31 C C4' 1 31 C C3' 1 31 C O3' 1 32 U P 167.00 -113.00 -154.10 -153.82 -153.91 . . 0 "[ . 1 . ]" 235 . 1 31 C C3' 1 31 C O3' 1 32 U P 1 32 U O5' -120.00 120.00 -72.78 -73.11 -72.36 . . 0 "[ . 1 . ]" 236 . 1 32 U O4' 1 32 U C1' 1 32 U C2' 1 32 U C3' -35.00 -5.00 -10.20 -10.25 -10.57 . . 0 "[ . 1 . ]" 237 . 1 32 U C1' 1 32 U C2' 1 32 U C3' 1 32 U C4' 20.00 50.00 26.40 26.03 26.85 . . 0 "[ . 1 . ]" 238 . 1 32 U C5' 1 32 U C4' 1 32 U C3' 1 32 U O3' 60.00 110.00 87.18 87.14 87.12 . . 0 "[ . 1 . ]" 239 . 1 32 U O4' 1 32 U C1' 1 32 U N1 1 32 U C2 150.00 -110.00 -152.32 -152.80 -151.72 . . 0 "[ . 1 . ]" 240 . 1 31 C O3' 1 32 U P 1 32 U O5' 1 32 U C5' -120.00 120.00 -65.91 -65.74 -65.80 . . 0 "[ . 1 . ]" 241 . 1 32 U P 1 32 U O5' 1 32 U C5' 1 32 U C4' 140.00 -140.00 175.86 175.01 177.34 . . 0 "[ . 1 . ]" 242 . 1 32 U O5' 1 32 U C5' 1 32 U C4' 1 32 U C3' 14.00 94.00 53.75 53.97 53.94 . . 0 "[ . 1 . ]" stop_ save_
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