NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
619901 | 5tgw | 30185 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_5tgw save_dihedral_constraint_statistics_1 _TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics _TA_constraint_stats_list.Constraint_count 210 _TA_constraint_stats_list.Viol_count 1889 _TA_constraint_stats_list.Viol_total 31202.81 _TA_constraint_stats_list.Viol_max 4.81 _TA_constraint_stats_list.Viol_rms 0.65 _TA_constraint_stats_list.Viol_average_all_restraints 0.37 _TA_constraint_stats_list.Viol_average_violations_only 0.83 _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 3 PHE C 1 4 GLU N 1 4 GLU CA 1 4 GLU C -73.00 -60.20 -61.67 -68.28 -58.10 2.10 1 0 "[ . 1 . 2]" 2 . 1 4 GLU N 1 4 GLU CA 1 4 GLU C 1 5 LYS N -44.50 -19.40 -38.97 -38.56 -40.05 4.11 9 0 "[ . 1 . 2]" 3 . 1 4 GLU C 1 5 LYS N 1 5 LYS CA 1 5 LYS C -74.20 -63.40 -67.89 -66.78 -68.48 1.36 2 0 "[ . 1 . 2]" 4 . 1 5 LYS N 1 5 LYS CA 1 5 LYS C 1 6 LEU N -41.40 -27.80 -37.96 -42.98 -28.46 1.58 4 0 "[ . 1 . 2]" 5 . 1 5 LYS C 1 6 LEU N 1 6 LEU CA 1 6 LEU C -72.40 -62.40 -68.93 -73.44 -61.71 1.04 20 0 "[ . 1 . 2]" 6 . 1 6 LEU N 1 6 LEU CA 1 6 LEU C 1 7 ARG N -44.50 -30.00 -38.97 -38.90 -40.47 0.64 9 0 "[ . 1 . 2]" 7 . 1 6 LEU C 1 7 ARG N 1 7 ARG CA 1 7 ARG C -70.40 -63.50 -64.85 -63.80 -66.60 1.91 10 0 "[ . 1 . 2]" 8 . 1 7 ARG N 1 7 ARG CA 1 7 ARG C 1 8 GLN N -46.20 -35.30 -42.45 -47.13 -33.21 2.09 15 0 "[ . 1 . 2]" 9 . 1 7 ARG C 1 8 GLN N 1 8 GLN CA 1 8 GLN C -69.80 -62.30 -64.17 -70.74 -60.05 2.25 15 0 "[ . 1 . 2]" 10 . 1 8 GLN N 1 8 GLN CA 1 8 GLN C 1 9 THR N -44.20 -35.20 -42.60 -45.55 -46.11 3.74 6 0 "[ . 1 . 2]" 11 . 1 8 GLN C 1 9 THR N 1 9 THR CA 1 9 THR C -69.30 -61.60 -64.73 -64.47 -65.31 1.65 18 0 "[ . 1 . 2]" 12 . 1 9 THR N 1 9 THR CA 1 9 THR C 1 10 GLY N -46.60 -35.80 -41.41 -47.07 -35.07 0.73 5 0 "[ . 1 . 2]" 13 . 1 9 THR C 1 10 GLY N 1 10 GLY CA 1 10 GLY C -66.90 -60.10 -64.15 -67.88 -59.89 0.98 15 0 "[ . 1 . 2]" 14 . 1 10 GLY N 1 10 GLY CA 1 10 GLY C 1 11 ASP N -45.30 -40.80 -41.94 -42.89 -44.30 2.42 15 0 "[ . 1 . 2]" 15 . 1 10 GLY C 1 11 ASP N 1 11 ASP CA 1 11 ASP C -69.30 -60.70 -65.34 -70.01 -59.03 1.67 15 0 "[ . 1 . 2]" 16 . 1 11 ASP N 1 11 ASP CA 1 11 ASP C 1 12 GLU N -45.40 -36.80 -39.62 -46.90 -35.32 1.50 2 0 "[ . 1 . 2]" 17 . 1 11 ASP C 1 12 GLU N 1 12 GLU CA 1 12 GLU C -68.70 -61.30 -61.06 -65.06 -59.22 2.08 5 0 "[ . 1 . 2]" 18 . 1 12 GLU N 1 12 GLU CA 1 12 GLU C 1 13 LEU N -44.40 -37.30 -38.97 -36.48 -36.83 2.93 17 0 "[ . 1 . 2]" 19 . 1 12 GLU C 1 13 LEU N 1 13 LEU CA 1 13 LEU C -66.40 -61.00 -61.58 -61.58 -62.53 2.56 17 0 "[ . 1 . 2]" 20 . 1 13 LEU N 1 13 LEU CA 1 13 LEU C 1 14 VAL N -47.60 -39.20 -46.00 -48.60 -48.87 1.27 1 0 "[ . 1 . 2]" 21 . 1 13 LEU C 1 14 VAL N 1 14 VAL CA 1 14 VAL C -65.90 -59.30 -60.70 -66.86 -57.68 1.62 16 0 "[ . 1 . 2]" 22 . 1 14 VAL N 1 14 VAL CA 1 14 VAL C 1 15 GLN N -45.10 -40.10 -44.24 -48.08 -38.38 2.98 14 0 "[ . 1 . 2]" 23 . 1 14 VAL C 1 15 GLN N 1 15 GLN CA 1 15 GLN C -66.80 -62.70 -63.24 -68.27 -60.08 2.62 9 0 "[ . 1 . 2]" 24 . 1 15 GLN N 1 15 GLN CA 1 15 GLN C 1 16 ALA N -45.70 -39.20 -42.11 -41.83 -43.45 1.55 6 0 "[ . 1 . 2]" 25 . 1 15 GLN C 1 16 ALA N 1 16 ALA CA 1 16 ALA C -70.70 -61.20 -63.74 -62.49 -63.28 1.11 2 0 "[ . 1 . 2]" 26 . 1 16 ALA N 1 16 ALA CA 1 16 ALA C 1 17 PHE N -44.30 -38.10 -42.96 -45.39 -38.09 1.09 16 0 "[ . 1 . 2]" 27 . 1 16 ALA C 1 17 PHE N 1 17 PHE CA 1 17 PHE C -67.30 -59.80 -66.37 -68.55 -62.42 1.25 9 0 "[ . 1 . 2]" 28 . 1 17 PHE N 1 17 PHE CA 1 17 PHE C 1 18 GLN N -47.30 -39.70 -38.36 -41.97 -36.17 3.53 17 0 "[ . 1 . 2]" 29 . 1 17 PHE C 1 18 GLN N 1 18 GLN CA 1 18 GLN C -67.30 -61.60 -62.55 -61.43 -61.51 1.03 17 0 "[ . 1 . 2]" 30 . 1 18 GLN N 1 18 GLN CA 1 18 GLN C 1 19 ARG N -42.60 -36.70 -41.01 -44.57 -35.78 1.97 12 0 "[ . 1 . 2]" 31 . 1 18 GLN C 1 19 ARG N 1 19 ARG CA 1 19 ARG C -68.70 -63.20 -66.05 -69.94 -61.99 1.24 12 0 "[ . 1 . 2]" 32 . 1 19 ARG N 1 19 ARG CA 1 19 ARG C 1 20 LEU N -43.80 -35.40 -37.69 -44.02 -32.59 2.81 6 0 "[ . 1 . 2]" 33 . 1 19 ARG C 1 20 LEU N 1 20 LEU CA 1 20 LEU C -66.90 -61.70 -60.86 -61.09 -61.18 2.29 6 0 "[ . 1 . 2]" 34 . 1 20 LEU N 1 20 LEU CA 1 20 LEU C 1 21 ARG N -47.00 -39.50 -41.38 -41.06 -42.70 1.75 19 0 "[ . 1 . 2]" 35 . 1 20 LEU C 1 21 ARG N 1 21 ARG CA 1 21 ARG C -65.10 -59.50 -62.12 -60.99 -62.54 1.34 19 0 "[ . 1 . 2]" 36 . 1 21 ARG N 1 21 ARG CA 1 21 ARG C 1 22 GLU N -44.90 -39.40 -42.43 -48.27 -38.50 3.37 18 0 "[ . 1 . 2]" 37 . 1 21 ARG C 1 22 GLU N 1 22 GLU CA 1 22 GLU C -69.00 -61.40 -63.52 -69.69 -60.39 1.01 5 0 "[ . 1 . 2]" 38 . 1 22 GLU N 1 22 GLU CA 1 22 GLU C 1 23 ILE N -46.70 -37.60 -43.92 -41.30 -41.60 0.32 20 0 "[ . 1 . 2]" 39 . 1 22 GLU C 1 23 ILE N 1 23 ILE CA 1 23 ILE C -66.80 -60.80 -64.58 -65.18 -65.95 1.18 12 0 "[ . 1 . 2]" 40 . 1 23 ILE N 1 23 ILE CA 1 23 ILE C 1 24 PHE N -45.90 -39.40 -41.14 -46.35 -38.30 1.10 20 0 "[ . 1 . 2]" 41 . 1 23 ILE C 1 24 PHE N 1 24 PHE CA 1 24 PHE C -68.50 -60.90 -62.24 -67.14 -59.63 1.27 1 0 "[ . 1 . 2]" 42 . 1 24 PHE N 1 24 PHE CA 1 24 PHE C 1 25 ASP N -46.70 -40.20 -41.19 -46.73 -38.69 1.51 5 0 "[ . 1 . 2]" 43 . 1 24 PHE C 1 25 ASP N 1 25 ASP CA 1 25 ASP C -70.40 -63.10 -64.83 -70.60 -61.06 2.04 5 0 "[ . 1 . 2]" 44 . 1 25 ASP N 1 25 ASP CA 1 25 ASP C 1 26 LYS N -34.20 -23.40 -31.44 -35.45 -23.65 1.25 8 0 "[ . 1 . 2]" 45 . 1 25 ASP C 1 26 LYS N 1 26 LYS CA 1 26 LYS C -93.90 -78.50 -81.61 -78.73 -79.82 1.18 16 0 "[ . 1 . 2]" 46 . 1 26 LYS N 1 26 LYS CA 1 26 LYS C 1 27 GLY N -16.50 0.90 -15.52 -18.48 -6.83 1.98 19 0 "[ . 1 . 2]" 47 . 1 26 LYS C 1 27 GLY N 1 27 GLY CA 1 27 GLY C 70.00 88.30 75.56 69.22 79.74 0.78 18 0 "[ . 1 . 2]" 48 . 1 27 GLY N 1 27 GLY CA 1 27 GLY C 1 28 ASP N 10.20 26.90 25.47 22.97 19.35 1.94 7 0 "[ . 1 . 2]" 49 . 1 27 GLY C 1 28 ASP N 1 28 ASP CA 1 28 ASP C -97.80 -81.10 -90.96 -98.75 -85.79 0.95 16 0 "[ . 1 . 2]" 50 . 1 28 ASP N 1 28 ASP CA 1 28 ASP C 1 29 ASP N 74.00 92.20 92.86 90.60 94.77 2.57 14 0 "[ . 1 . 2]" 51 . 1 28 ASP C 1 29 ASP N 1 29 ASP CA 1 29 ASP C -71.60 -58.50 -64.99 -66.14 -68.73 1.40 14 0 "[ . 1 . 2]" 52 . 1 29 ASP N 1 29 ASP CA 1 29 ASP C 1 30 ASP N -43.60 -27.10 -33.07 -44.18 -25.96 1.14 1 0 "[ . 1 . 2]" 53 . 1 29 ASP C 1 30 ASP N 1 30 ASP CA 1 30 ASP C -71.80 -59.20 -62.40 -63.19 -64.46 1.05 12 0 "[ . 1 . 2]" 54 . 1 30 ASP N 1 30 ASP CA 1 30 ASP C 1 31 SER N -49.60 -32.30 -50.24 -50.25 -50.63 3.51 19 0 "[ . 1 . 2]" 55 . 1 30 ASP C 1 31 SER N 1 31 SER CA 1 31 SER C -70.80 -63.50 -70.99 -74.51 -67.01 3.71 12 0 "[ . 1 . 2]" 56 . 1 31 SER N 1 31 SER CA 1 31 SER C 1 32 LEU N -44.10 -34.00 -32.37 -31.49 -32.19 4.07 18 0 "[ . 1 . 2]" 57 . 1 31 SER C 1 32 LEU N 1 32 LEU CA 1 32 LEU C -69.80 -62.70 -60.52 -60.41 -60.60 4.02 7 0 "[ . 1 . 2]" 58 . 1 32 LEU N 1 32 LEU CA 1 32 LEU C 1 33 GLU N -45.50 -39.20 -46.14 -48.27 -38.86 2.77 13 0 "[ . 1 . 2]" 59 . 1 32 LEU C 1 33 GLU N 1 33 GLU CA 1 33 GLU C -64.50 -56.80 -63.47 -64.33 -64.92 2.50 19 0 "[ . 1 . 2]" 60 . 1 33 GLU N 1 33 GLU CA 1 33 GLU C 1 34 GLN N -45.60 -37.00 -39.74 -40.11 -40.34 0.97 6 0 "[ . 1 . 2]" 61 . 1 33 GLU C 1 34 GLN N 1 34 GLN CA 1 34 GLN C -67.40 -60.40 -63.69 -62.76 -63.12 1.34 6 0 "[ . 1 . 2]" 62 . 1 34 GLN N 1 34 GLN CA 1 34 GLN C 1 35 VAL N -46.50 -37.80 -42.60 -47.89 -36.17 1.63 8 0 "[ . 1 . 2]" 63 . 1 34 GLN C 1 35 VAL N 1 35 VAL CA 1 35 VAL C -69.60 -62.80 -65.42 -70.09 -61.98 0.82 20 0 "[ . 1 . 2]" 64 . 1 35 VAL N 1 35 VAL CA 1 35 VAL C 1 36 LEU N -43.90 -36.30 -35.26 -34.50 -34.69 3.92 13 0 "[ . 1 . 2]" 65 . 1 35 VAL C 1 36 LEU N 1 36 LEU CA 1 36 LEU C -67.50 -61.40 -60.02 -61.03 -58.30 3.10 13 0 "[ . 1 . 2]" 66 . 1 36 LEU N 1 36 LEU CA 1 36 LEU C 1 37 GLU N -45.60 -36.70 -38.18 -42.78 -36.12 0.58 1 0 "[ . 1 . 2]" 67 . 1 36 LEU C 1 37 GLU N 1 37 GLU CA 1 37 GLU C -69.30 -64.00 -66.81 -65.98 -67.35 0.64 5 0 "[ . 1 . 2]" 68 . 1 37 GLU N 1 37 GLU CA 1 37 GLU C 1 38 GLU N -46.80 -38.10 -40.68 -39.38 -40.81 1.69 10 0 "[ . 1 . 2]" 69 . 1 37 GLU C 1 38 GLU N 1 38 GLU CA 1 38 GLU C -68.10 -61.30 -63.89 -61.14 -61.92 0.93 4 0 "[ . 1 . 2]" 70 . 1 38 GLU N 1 38 GLU CA 1 38 GLU C 1 39 ILE N -45.20 -37.30 -42.54 -43.86 -44.68 1.60 14 0 "[ . 1 . 2]" 71 . 1 38 GLU C 1 39 ILE N 1 39 ILE CA 1 39 ILE C -67.00 -60.30 -60.94 -66.56 -59.53 0.77 10 0 "[ . 1 . 2]" 72 . 1 39 ILE N 1 39 ILE CA 1 39 ILE C 1 40 GLU N -46.10 -38.90 -38.71 -38.52 -38.76 1.62 15 0 "[ . 1 . 2]" 73 . 1 39 ILE C 1 40 GLU N 1 40 GLU CA 1 40 GLU C -65.60 -59.50 -60.47 -59.01 -59.22 1.76 16 0 "[ . 1 . 2]" 74 . 1 40 GLU N 1 40 GLU CA 1 40 GLU C 1 41 GLU N -45.40 -39.30 -42.65 -40.68 -41.55 1.98 18 0 "[ . 1 . 2]" 75 . 1 40 GLU C 1 41 GLU N 1 41 GLU CA 1 41 GLU C -69.40 -59.30 -64.04 -70.00 -58.64 0.66 12 0 "[ . 1 . 2]" 76 . 1 41 GLU N 1 41 GLU CA 1 41 GLU C 1 42 LEU N -46.40 -36.30 -42.46 -39.43 -40.46 0.08 8 0 "[ . 1 . 2]" 77 . 1 41 GLU C 1 42 LEU N 1 42 LEU CA 1 42 LEU C -67.30 -62.00 -64.41 -65.95 -67.25 0.77 13 0 "[ . 1 . 2]" 78 . 1 42 LEU N 1 42 LEU CA 1 42 LEU C 1 43 ILE N -48.50 -40.80 -40.54 -40.23 -40.34 1.71 4 0 "[ . 1 . 2]" 79 . 1 42 LEU C 1 43 ILE N 1 43 ILE CA 1 43 ILE C -67.60 -61.10 -60.98 -65.92 -59.62 1.48 1 0 "[ . 1 . 2]" 80 . 1 43 ILE N 1 43 ILE CA 1 43 ILE C 1 44 GLN N -46.00 -36.20 -43.47 -46.62 -35.49 0.71 12 0 "[ . 1 . 2]" 81 . 1 43 ILE C 1 44 GLN N 1 44 GLN CA 1 44 GLN C -69.70 -62.80 -64.13 -67.79 -60.80 2.00 12 0 "[ . 1 . 2]" 82 . 1 44 GLN N 1 44 GLN CA 1 44 GLN C 1 45 LYS N -46.20 -36.90 -40.55 -42.03 -43.83 1.42 9 0 "[ . 1 . 2]" 83 . 1 44 GLN C 1 45 LYS N 1 45 LYS CA 1 45 LYS C -69.80 -61.90 -63.49 -62.64 -63.41 1.20 4 0 "[ . 1 . 2]" 84 . 1 45 LYS N 1 45 LYS CA 1 45 LYS C 1 46 HIS N -44.40 -36.00 -43.92 -45.76 -37.98 1.36 16 0 "[ . 1 . 2]" 85 . 1 45 LYS C 1 46 HIS N 1 46 HIS CA 1 46 HIS C -68.70 -59.30 -63.29 -64.07 -64.93 1.12 14 0 "[ . 1 . 2]" 86 . 1 46 HIS N 1 46 HIS CA 1 46 HIS C 1 47 ARG N -48.60 -38.10 -42.06 -48.46 -36.99 1.11 9 0 "[ . 1 . 2]" 87 . 1 46 HIS C 1 47 ARG N 1 47 ARG CA 1 47 ARG C -66.90 -61.20 -63.37 -68.13 -60.08 1.23 14 0 "[ . 1 . 2]" 88 . 1 47 ARG N 1 47 ARG CA 1 47 ARG C 1 48 GLN N -42.10 -34.30 -39.51 -35.56 -36.21 2.52 5 0 "[ . 1 . 2]" 89 . 1 47 ARG C 1 48 GLN N 1 48 GLN CA 1 48 GLN C -68.80 -62.90 -65.48 -70.06 -61.19 1.71 7 0 "[ . 1 . 2]" 90 . 1 48 GLN N 1 48 GLN CA 1 48 GLN C 1 49 LEU N -43.50 -31.60 -42.28 -36.58 -39.43 2.28 3 0 "[ . 1 . 2]" 91 . 1 48 GLN C 1 49 LEU N 1 49 LEU CA 1 49 LEU C -71.60 -62.60 -66.15 -63.20 -64.80 2.32 13 0 "[ . 1 . 2]" 92 . 1 49 LEU N 1 49 LEU CA 1 49 LEU C 1 50 PHE N -48.00 -34.20 -41.33 -39.38 -41.69 2.56 13 0 "[ . 1 . 2]" 93 . 1 49 LEU C 1 50 PHE N 1 50 PHE CA 1 50 PHE C -73.80 -63.80 -68.52 -74.04 -63.09 0.71 3 0 "[ . 1 . 2]" 94 . 1 50 PHE N 1 50 PHE CA 1 50 PHE C 1 51 ASP N -47.20 -32.20 -40.70 -49.06 -31.89 1.86 13 0 "[ . 1 . 2]" 95 . 1 50 PHE C 1 51 ASP N 1 51 ASP CA 1 51 ASP C -75.20 -63.70 -67.77 -65.44 -66.93 1.06 4 0 "[ . 1 . 2]" 96 . 1 51 ASP N 1 51 ASP CA 1 51 ASP C 1 52 ASN N -39.10 -25.40 -35.15 -42.32 -24.20 3.22 17 0 "[ . 1 . 2]" 97 . 1 51 ASP C 1 52 ASN N 1 52 ASN CA 1 52 ASN C -81.00 -61.20 -71.10 -81.12 -81.37 1.30 17 0 "[ . 1 . 2]" 98 . 1 52 ASN N 1 52 ASN CA 1 52 ASN C 1 53 ARG N -45.60 -20.10 -34.17 -38.87 -41.42 2.63 17 0 "[ . 1 . 2]" 99 . 1 52 ASN C 1 53 ARG N 1 53 ARG CA 1 53 ARG C -75.20 -61.00 -70.60 -70.69 -72.58 1.60 17 0 "[ . 1 . 2]" 100 . 1 53 ARG N 1 53 ARG CA 1 53 ARG C 1 54 GLN N -37.60 -26.30 -34.40 -41.15 -24.15 3.55 14 0 "[ . 1 . 2]" 101 . 1 57 ALA C 1 58 ASP N 1 58 ASP CA 1 58 ASP C -86.60 -62.30 -62.06 -61.46 -61.54 2.48 3 0 "[ . 1 . 2]" 102 . 1 58 ASP N 1 58 ASP CA 1 58 ASP C 1 59 THR N -42.30 -11.00 -35.80 -43.30 -20.28 1.00 19 0 "[ . 1 . 2]" 103 . 1 58 ASP C 1 59 THR N 1 59 THR CA 1 59 THR C -86.00 -58.40 -64.47 -76.22 -58.15 0.25 10 0 "[ . 1 . 2]" 104 . 1 59 THR N 1 59 THR CA 1 59 THR C 1 60 GLU N -41.90 -21.20 -39.12 -35.33 -38.30 3.03 19 0 "[ . 1 . 2]" 105 . 1 59 THR C 1 60 GLU N 1 60 GLU CA 1 60 GLU C -72.40 -61.60 -70.73 -75.14 -65.53 2.74 19 0 "[ . 1 . 2]" 106 . 1 60 GLU N 1 60 GLU CA 1 60 GLU C 1 61 ALA N -44.40 -31.50 -41.79 -45.72 -31.35 1.32 7 0 "[ . 1 . 2]" 107 . 1 60 GLU C 1 61 ALA N 1 61 ALA CA 1 61 ALA C -70.50 -63.80 -64.77 -68.57 -62.65 1.15 19 0 "[ . 1 . 2]" 108 . 1 61 ALA N 1 61 ALA CA 1 61 ALA C 1 62 ALA N -43.90 -31.30 -38.54 -44.10 -29.34 1.96 20 0 "[ . 1 . 2]" 109 . 1 61 ALA C 1 62 ALA N 1 62 ALA CA 1 62 ALA C -71.10 -62.60 -66.65 -63.90 -65.02 1.80 20 0 "[ . 1 . 2]" 110 . 1 62 ALA N 1 62 ALA CA 1 62 ALA C 1 63 LYS N -42.60 -37.00 -39.62 -38.64 -39.76 3.41 20 0 "[ . 1 . 2]" 111 . 1 62 ALA C 1 63 LYS N 1 63 LYS CA 1 63 LYS C -72.30 -63.50 -67.30 -64.74 -66.01 1.25 20 0 "[ . 1 . 2]" 112 . 1 63 LYS N 1 63 LYS CA 1 63 LYS C 1 64 GLN N -42.80 -31.30 -40.83 -45.62 -30.79 2.82 20 0 "[ . 1 . 2]" 113 . 1 63 LYS C 1 64 GLN N 1 64 GLN CA 1 64 GLN C -74.10 -63.90 -68.35 -76.66 -62.96 2.56 20 0 "[ . 1 . 2]" 114 . 1 64 GLN N 1 64 GLN CA 1 64 GLN C 1 65 GLY N -42.50 -30.70 -39.74 -38.93 -39.93 1.05 15 0 "[ . 1 . 2]" 115 . 1 64 GLN C 1 65 GLY N 1 65 GLY CA 1 65 GLY C -69.20 -61.60 -65.89 -70.97 -60.99 1.77 2 0 "[ . 1 . 2]" 116 . 1 65 GLY N 1 65 GLY CA 1 65 GLY C 1 66 ASP N -45.70 -36.20 -39.53 -46.70 -33.75 2.45 5 0 "[ . 1 . 2]" 117 . 1 65 GLY C 1 66 ASP N 1 66 ASP CA 1 66 ASP C -71.50 -61.90 -61.35 -61.13 -61.24 1.96 9 0 "[ . 1 . 2]" 118 . 1 66 ASP N 1 66 ASP CA 1 66 ASP C 1 67 GLN N -40.60 -31.70 -41.00 -37.41 -40.00 3.69 15 0 "[ . 1 . 2]" 119 . 1 66 ASP C 1 67 GLN N 1 67 GLN CA 1 67 GLN C -71.00 -65.40 -67.25 -65.38 -65.92 2.86 15 0 "[ . 1 . 2]" 120 . 1 67 GLN N 1 67 GLN CA 1 67 GLN C 1 68 TRP N -42.20 -32.40 -39.27 -43.98 -33.34 1.78 11 0 "[ . 1 . 2]" 121 . 1 67 GLN C 1 68 TRP N 1 68 TRP CA 1 68 TRP C -67.40 -58.70 -66.63 -69.33 -60.65 1.93 2 0 "[ . 1 . 2]" 122 . 1 68 TRP N 1 68 TRP CA 1 68 TRP C 1 69 VAL N -51.20 -36.90 -44.68 -41.49 -43.02 0.27 14 0 "[ . 1 . 2]" 123 . 1 68 TRP C 1 69 VAL N 1 69 VAL CA 1 69 VAL C -67.60 -61.20 -62.77 -62.91 -63.29 1.69 16 0 "[ . 1 . 2]" 124 . 1 69 VAL N 1 69 VAL CA 1 69 VAL C 1 70 GLN N -44.40 -39.50 -39.84 -39.86 -40.59 1.60 12 0 "[ . 1 . 2]" 125 . 1 69 VAL C 1 70 GLN N 1 70 GLN CA 1 70 GLN C -70.20 -63.30 -62.65 -61.88 -62.23 1.86 2 0 "[ . 1 . 2]" 126 . 1 70 GLN N 1 70 GLN CA 1 70 GLN C 1 71 LEU N -44.30 -30.80 -38.07 -45.30 -27.23 3.57 19 0 "[ . 1 . 2]" 127 . 1 70 GLN C 1 71 LEU N 1 71 LEU CA 1 71 LEU C -68.70 -62.40 -64.02 -65.45 -66.04 2.33 19 0 "[ . 1 . 2]" 128 . 1 71 LEU N 1 71 LEU CA 1 71 LEU C 1 72 PHE N -46.40 -39.80 -43.88 -47.34 -48.39 1.99 1 0 "[ . 1 . 2]" 129 . 1 71 LEU C 1 72 PHE N 1 72 PHE CA 1 72 PHE C -69.60 -58.40 -66.19 -69.67 -71.52 1.92 1 0 "[ . 1 . 2]" 130 . 1 72 PHE N 1 72 PHE CA 1 72 PHE C 1 73 GLN N -46.00 -35.10 -40.30 -46.22 -33.73 1.37 20 0 "[ . 1 . 2]" 131 . 1 72 PHE C 1 73 GLN N 1 73 GLN CA 1 73 GLN C -67.50 -60.60 -62.62 -65.61 -60.02 0.58 12 0 "[ . 1 . 2]" 132 . 1 73 GLN N 1 73 GLN CA 1 73 GLN C 1 74 ARG N -44.90 -36.10 -43.14 -45.67 -46.51 1.67 1 0 "[ . 1 . 2]" 133 . 1 73 GLN C 1 74 ARG N 1 74 ARG CA 1 74 ARG C -68.20 -59.70 -62.49 -65.91 -68.50 0.94 4 0 "[ . 1 . 2]" 134 . 1 74 ARG N 1 74 ARG CA 1 74 ARG C 1 75 PHE N -45.80 -36.90 -39.31 -44.95 -35.43 1.47 1 0 "[ . 1 . 2]" 135 . 1 74 ARG C 1 75 PHE N 1 75 PHE CA 1 75 PHE C -66.50 -60.50 -63.52 -66.76 -59.96 0.54 1 0 "[ . 1 . 2]" 136 . 1 75 PHE N 1 75 PHE CA 1 75 PHE C 1 76 ARG N -46.60 -41.30 -45.66 -46.75 -46.87 3.22 7 0 "[ . 1 . 2]" 137 . 1 75 PHE C 1 76 ARG N 1 76 ARG CA 1 76 ARG C -65.20 -59.10 -64.01 -64.26 -64.97 3.06 7 0 "[ . 1 . 2]" 138 . 1 76 ARG N 1 76 ARG CA 1 76 ARG C 1 77 GLU N -44.50 -37.50 -41.12 -45.11 -33.82 3.68 3 0 "[ . 1 . 2]" 139 . 1 76 ARG C 1 77 GLU N 1 77 GLU CA 1 77 GLU C -69.30 -61.00 -61.96 -61.44 -61.91 0.97 3 0 "[ . 1 . 2]" 140 . 1 77 GLU N 1 77 GLU CA 1 77 GLU C 1 78 ALA N -46.70 -40.00 -43.18 -47.12 -38.81 1.19 12 0 "[ . 1 . 2]" 141 . 1 77 GLU C 1 78 ALA N 1 78 ALA CA 1 78 ALA C -68.40 -60.60 -62.57 -64.07 -64.76 0.69 20 0 "[ . 1 . 2]" 142 . 1 78 ALA N 1 78 ALA CA 1 78 ALA C 1 79 ILE N -46.80 -36.20 -37.18 -36.99 -38.20 1.05 7 0 "[ . 1 . 2]" 143 . 1 78 ALA C 1 79 ILE N 1 79 ILE CA 1 79 ILE C -68.80 -60.90 -65.30 -68.83 -61.00 0.03 5 0 "[ . 1 . 2]" 144 . 1 79 ILE N 1 79 ILE CA 1 79 ILE C 1 80 ASP N -46.00 -37.20 -43.53 -47.10 -36.95 1.10 3 0 "[ . 1 . 2]" 145 . 1 79 ILE C 1 80 ASP N 1 80 ASP CA 1 80 ASP C -69.70 -63.00 -64.21 -68.58 -62.01 0.99 12 0 "[ . 1 . 2]" 146 . 1 80 ASP N 1 80 ASP CA 1 80 ASP C 1 81 LYS N -36.60 -24.90 -35.26 -37.70 -27.69 1.10 20 0 "[ . 1 . 2]" 147 . 1 80 ASP C 1 81 LYS N 1 81 LYS CA 1 81 LYS C -94.20 -78.10 -82.49 -93.91 -76.97 1.13 15 0 "[ . 1 . 2]" 148 . 1 81 LYS N 1 81 LYS CA 1 81 LYS C 1 82 GLY N -12.90 4.30 -12.57 -5.72 -9.29 1.96 9 0 "[ . 1 . 2]" 149 . 1 81 LYS C 1 82 GLY N 1 82 GLY CA 1 82 GLY C 67.50 78.10 71.75 70.45 69.82 0.74 20 0 "[ . 1 . 2]" 150 . 1 82 GLY N 1 82 GLY CA 1 82 GLY C 1 83 ASP N 18.90 31.20 28.84 30.60 28.81 0.87 17 0 "[ . 1 . 2]" 151 . 1 82 GLY C 1 83 ASP N 1 83 ASP CA 1 83 ASP C -101.90 -83.30 -94.34 -103.21 -86.27 1.31 8 0 "[ . 1 . 2]" 152 . 1 83 ASP N 1 83 ASP CA 1 83 ASP C 1 84 LYS N 78.80 95.90 93.74 78.62 97.64 1.74 5 0 "[ . 1 . 2]" 153 . 1 83 ASP C 1 84 LYS N 1 84 LYS CA 1 84 LYS C -70.60 -58.80 -68.49 -61.94 -64.66 1.00 20 0 "[ . 1 . 2]" 154 . 1 84 LYS N 1 84 LYS CA 1 84 LYS C 1 85 ASP N -44.60 -27.00 -28.90 -40.33 -24.20 2.80 7 0 "[ . 1 . 2]" 155 . 1 84 LYS C 1 85 ASP N 1 85 ASP CA 1 85 ASP C -66.80 -60.10 -60.53 -66.86 -57.65 2.45 8 0 "[ . 1 . 2]" 156 . 1 85 ASP N 1 85 ASP CA 1 85 ASP C 1 86 SER N -48.30 -32.20 -45.47 -39.54 -42.85 1.63 3 0 "[ . 1 . 2]" 157 . 1 85 ASP C 1 86 SER N 1 86 SER CA 1 86 SER C -70.50 -61.70 -69.76 -72.21 -63.03 1.71 3 0 "[ . 1 . 2]" 158 . 1 86 SER N 1 86 SER CA 1 86 SER C 1 87 LEU N -45.00 -35.10 -36.65 -39.79 -32.98 2.12 20 0 "[ . 1 . 2]" 159 . 1 86 SER C 1 87 LEU N 1 87 LEU CA 1 87 LEU C -67.30 -60.20 -59.75 -61.73 -58.05 2.15 20 0 "[ . 1 . 2]" 160 . 1 87 LEU N 1 87 LEU CA 1 87 LEU C 1 88 GLU N -47.70 -41.20 -45.31 -49.72 -40.25 2.02 5 0 "[ . 1 . 2]" 161 . 1 87 LEU C 1 88 GLU N 1 88 GLU CA 1 88 GLU C -65.40 -58.80 -61.48 -65.73 -57.24 1.56 11 0 "[ . 1 . 2]" 162 . 1 88 GLU N 1 88 GLU CA 1 88 GLU C 1 89 GLN N -45.30 -37.70 -42.34 -36.26 -37.92 1.80 6 0 "[ . 1 . 2]" 163 . 1 88 GLU C 1 89 GLN N 1 89 GLN CA 1 89 GLN C -69.10 -62.30 -67.58 -70.58 -62.09 1.48 13 0 "[ . 1 . 2]" 164 . 1 89 GLN N 1 89 GLN CA 1 89 GLN C 1 90 LEU N -46.70 -35.20 -41.03 -40.99 -42.75 0.59 11 0 "[ . 1 . 2]" 165 . 1 89 GLN C 1 90 LEU N 1 90 LEU CA 1 90 LEU C -69.30 -61.60 -63.09 -66.40 -67.99 0.96 13 0 "[ . 1 . 2]" 166 . 1 90 LEU N 1 90 LEU CA 1 90 LEU C 1 91 LEU N -48.20 -37.00 -36.81 -34.78 -35.85 3.54 7 0 "[ . 1 . 2]" 167 . 1 90 LEU C 1 91 LEU N 1 91 LEU CA 1 91 LEU C -67.60 -60.10 -60.21 -60.02 -60.85 2.84 14 0 "[ . 1 . 2]" 168 . 1 91 LEU N 1 91 LEU CA 1 91 LEU C 1 92 GLU N -44.60 -36.10 -40.09 -34.38 -35.50 1.72 2 0 "[ . 1 . 2]" 169 . 1 91 LEU C 1 92 GLU N 1 92 GLU CA 1 92 GLU C -69.80 -63.30 -67.61 -62.96 -64.25 1.36 12 0 "[ . 1 . 2]" 170 . 1 92 GLU N 1 92 GLU CA 1 92 GLU C 1 93 GLU N -43.90 -37.50 -44.27 -45.87 -38.28 1.97 20 0 "[ . 1 . 2]" 171 . 1 92 GLU C 1 93 GLU N 1 93 GLU CA 1 93 GLU C -69.30 -60.40 -64.92 -70.20 -59.89 0.90 8 0 "[ . 1 . 2]" 172 . 1 93 GLU N 1 93 GLU CA 1 93 GLU C 1 94 LEU N -44.10 -35.70 -39.27 -41.03 -41.10 2.42 12 0 "[ . 1 . 2]" 173 . 1 93 GLU C 1 94 LEU N 1 94 LEU CA 1 94 LEU C -66.20 -62.30 -62.42 -61.67 -61.77 2.48 12 0 "[ . 1 . 2]" 174 . 1 94 LEU N 1 94 LEU CA 1 94 LEU C 1 95 GLU N -44.90 -39.30 -44.55 -47.04 -38.70 2.14 19 0 "[ . 1 . 2]" 175 . 1 94 LEU C 1 95 GLU N 1 95 GLU CA 1 95 GLU C -63.60 -55.20 -61.16 -60.94 -62.59 2.33 16 0 "[ . 1 . 2]" 176 . 1 95 GLU N 1 95 GLU CA 1 95 GLU C 1 96 GLN N -46.20 -38.40 -43.11 -46.69 -46.91 1.66 13 0 "[ . 1 . 2]" 177 . 1 95 GLU C 1 96 GLN N 1 96 GLN CA 1 96 GLN C -66.80 -60.60 -64.35 -63.46 -63.51 0.37 20 0 "[ . 1 . 2]" 178 . 1 96 GLN N 1 96 GLN CA 1 96 GLN C 1 97 ALA N -46.00 -37.20 -38.46 -42.23 -35.21 1.99 4 0 "[ . 1 . 2]" 179 . 1 96 GLN C 1 97 ALA N 1 97 ALA CA 1 97 ALA C -66.80 -62.30 -64.35 -67.22 -61.17 1.13 7 0 "[ . 1 . 2]" 180 . 1 97 ALA N 1 97 ALA CA 1 97 ALA C 1 98 LEU N -44.20 -38.10 -39.94 -45.57 -36.31 1.79 17 0 "[ . 1 . 2]" 181 . 1 97 ALA C 1 98 LEU N 1 98 LEU CA 1 98 LEU C -69.30 -63.60 -63.26 -67.93 -61.96 1.64 16 0 "[ . 1 . 2]" 182 . 1 98 LEU N 1 98 LEU CA 1 98 LEU C 1 99 GLN N -42.70 -32.50 -37.68 -44.08 -32.35 1.38 13 0 "[ . 1 . 2]" 183 . 1 98 LEU C 1 99 GLN N 1 99 GLN CA 1 99 GLN C -70.00 -63.50 -64.49 -70.29 -62.53 0.97 20 0 "[ . 1 . 2]" 184 . 1 99 GLN N 1 99 GLN CA 1 99 GLN C 1 100 LYS N -45.20 -35.00 -42.03 -39.22 -40.18 0.29 14 0 "[ . 1 . 2]" 185 . 1 99 GLN C 1 100 LYS N 1 100 LYS CA 1 100 LYS C -68.90 -62.30 -64.15 -64.83 -67.03 1.09 2 0 "[ . 1 . 2]" 186 . 1 100 LYS N 1 100 LYS CA 1 100 LYS C 1 101 ILE N -45.70 -36.50 -43.29 -40.55 -41.05 1.48 3 0 "[ . 1 . 2]" 187 . 1 100 LYS C 1 101 ILE N 1 101 ILE CA 1 101 ILE C -69.00 -60.90 -62.45 -60.24 -60.60 1.07 6 0 "[ . 1 . 2]" 188 . 1 101 ILE N 1 101 ILE CA 1 101 ILE C 1 102 ARG N -45.60 -35.70 -42.65 -47.40 -37.05 1.80 12 0 "[ . 1 . 2]" 189 . 1 101 ILE C 1 102 ARG N 1 102 ARG CA 1 102 ARG C -70.00 -61.00 -61.90 -68.54 -60.37 0.63 19 0 "[ . 1 . 2]" 190 . 1 102 ARG N 1 102 ARG CA 1 102 ARG C 1 103 GLU N -46.10 -32.60 -41.40 -41.61 -43.94 0.73 5 0 "[ . 1 . 2]" 191 . 1 102 ARG C 1 103 GLU N 1 103 GLU CA 1 103 GLU C -72.00 -61.40 -65.44 -61.46 -63.35 1.65 10 0 "[ . 1 . 2]" 192 . 1 103 GLU N 1 103 GLU CA 1 103 GLU C 1 104 LEU N -44.40 -30.90 -40.07 -44.92 -30.71 0.52 4 0 "[ . 1 . 2]" 193 . 1 103 GLU C 1 104 LEU N 1 104 LEU CA 1 104 LEU C -72.50 -61.80 -69.00 -73.94 -61.48 1.44 19 0 "[ . 1 . 2]" 194 . 1 104 LEU N 1 104 LEU CA 1 104 LEU C 1 105 ALA N -41.10 -30.20 -36.46 -41.81 -28.38 1.82 4 0 "[ . 1 . 2]" 195 . 1 104 LEU C 1 105 ALA N 1 105 ALA CA 1 105 ALA C -72.70 -63.70 -70.48 -75.03 -62.62 2.33 19 0 "[ . 1 . 2]" 196 . 1 105 ALA N 1 105 ALA CA 1 105 ALA C 1 106 GLU N -27.10 -15.20 -27.24 -31.91 -15.01 4.81 19 0 "[ . 1 . 2]" 197 . 1 105 ALA C 1 106 GLU N 1 106 GLU CA 1 106 GLU C -91.20 -74.90 -86.90 -86.80 -89.47 3.86 7 0 "[ . 1 . 2]" 198 . 1 106 GLU N 1 106 GLU CA 1 106 GLU C 1 107 LYS N -21.60 -3.20 -16.13 -26.19 -2.02 4.59 17 0 "[ . 1 . 2]" 199 . 1 9 THR N 1 9 THR CA 1 9 THR CB 1 9 THR OG1 -72.50 -51.90 -55.00 -60.37 -50.80 1.10 15 0 "[ . 1 . 2]" 200 . 1 14 VAL N 1 14 VAL CA 1 14 VAL CB 1 14 VAL CG1 169.40 -175.80 -179.93 179.11 179.05 0.23 5 0 "[ . 1 . 2]" 201 . 1 23 ILE N 1 23 ILE CA 1 23 ILE CB 1 23 ILE CG1 -71.50 -58.70 -62.14 -59.17 -60.83 0.38 17 0 "[ . 1 . 2]" 202 . 1 35 VAL N 1 35 VAL CA 1 35 VAL CB 1 35 VAL CG1 168.80 -178.00 178.61 177.41 177.18 0.53 20 0 "[ . 1 . 2]" 203 . 1 39 ILE N 1 39 ILE CA 1 39 ILE CB 1 39 ILE CG1 -72.50 -62.10 -63.01 -63.59 -65.16 1.01 10 0 "[ . 1 . 2]" 204 . 1 43 ILE N 1 43 ILE CA 1 43 ILE CB 1 43 ILE CG1 -73.90 -61.90 -63.68 -64.15 -66.09 1.08 12 0 "[ . 1 . 2]" 205 . 1 46 HIS N 1 46 HIS CA 1 46 HIS CB 1 46 HIS CG 171.70 -171.10 -173.33 -170.91 -171.75 0.86 14 0 "[ . 1 . 2]" 206 . 1 49 LEU N 1 49 LEU CA 1 49 LEU CB 1 49 LEU CG -79.30 -62.90 -64.61 -79.46 -62.08 0.82 17 0 "[ . 1 . 2]" 207 . 1 75 PHE N 1 75 PHE CA 1 75 PHE CB 1 75 PHE CG 169.70 -175.30 -175.67 176.06 -172.56 2.74 20 0 "[ . 1 . 2]" 208 . 1 79 ILE N 1 79 ILE CA 1 79 ILE CB 1 79 ILE CG1 -69.20 -60.40 -61.79 -66.90 -59.92 0.48 7 0 "[ . 1 . 2]" 209 . 1 98 LEU N 1 98 LEU CA 1 98 LEU CB 1 98 LEU CG -77.10 -63.30 -69.49 -80.67 -62.68 3.57 4 0 "[ . 1 . 2]" 210 . 1 101 ILE N 1 101 ILE CA 1 101 ILE CB 1 101 ILE CG1 -72.50 -62.10 -63.15 -67.16 -61.37 0.73 3 0 "[ . 1 . 2]" stop_ save_
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