NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
426870 | 2hgc | 7260 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2hgc save_distance_constraint_statistics_1 _TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics _TA_constraint_stats_list.Constraint_count 163 _TA_constraint_stats_list.Viol_count 122 _TA_constraint_stats_list.Viol_total 798.74 _TA_constraint_stats_list.Viol_max 1.75 _TA_constraint_stats_list.Viol_rms 0.09 _TA_constraint_stats_list.Viol_average_all_restraints 0.01 _TA_constraint_stats_list.Viol_average_violations_only 0.33 _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 5 LYS C 1 6 LEU N 1 6 LEU CA 1 6 LEU C -100.00 -30.00 -84.17 -91.43 -100.05 0.58 12 0 "[ . 1 . 2]" 2 . 1 6 LEU N 1 6 LEU CA 1 6 LEU C 1 7 ARG N -75.00 5.00 -18.27 -34.40 5.11 0.11 20 0 "[ . 1 . 2]" 3 . 1 6 LEU C 1 7 ARG N 1 7 ARG CA 1 7 ARG C -100.00 -30.00 -60.52 -60.89 -62.89 . . 0 "[ . 1 . 2]" 4 . 1 7 ARG N 1 7 ARG CA 1 7 ARG C 1 8 TYR N -75.00 5.00 -37.73 -46.88 -50.70 . . 0 "[ . 1 . 2]" 5 . 1 8 TYR C 1 9 ALA N 1 9 ALA CA 1 9 ALA C -84.00 -44.00 -62.36 -78.38 -55.53 . . 0 "[ . 1 . 2]" 6 . 1 9 ALA N 1 9 ALA CA 1 9 ALA C 1 10 ILE N -75.00 -19.00 -41.37 -38.56 -41.02 0.46 18 0 "[ . 1 . 2]" 7 . 1 9 ALA C 1 10 ILE N 1 10 ILE CA 1 10 ILE C -82.00 -42.00 -61.90 -65.17 -69.01 . . 0 "[ . 1 . 2]" 8 . 1 10 ILE N 1 10 ILE CA 1 10 ILE C 1 11 LEU N -77.00 -27.00 -43.40 -52.79 -30.34 . . 0 "[ . 1 . 2]" 9 . 1 10 ILE C 1 11 LEU N 1 11 LEU CA 1 11 LEU C -78.00 -38.00 -59.04 -66.22 -52.43 . . 0 "[ . 1 . 2]" 10 . 1 11 LEU N 1 11 LEU CA 1 11 LEU C 1 12 LYS N -61.00 -21.00 -42.22 -41.43 -43.64 . . 0 "[ . 1 . 2]" 11 . 1 11 LEU C 1 12 LYS N 1 12 LYS CA 1 12 LYS C -85.00 -40.00 -68.61 -77.68 -61.93 . . 0 "[ . 1 . 2]" 12 . 1 12 LYS N 1 12 LYS CA 1 12 LYS C 1 13 GLU N -70.00 -20.00 -39.23 -30.32 -39.15 . . 0 "[ . 1 . 2]" 13 . 1 12 LYS C 1 13 GLU N 1 13 GLU CA 1 13 GLU C -85.00 -40.00 -67.20 -81.04 -58.05 . . 0 "[ . 1 . 2]" 14 . 1 13 GLU N 1 13 GLU CA 1 13 GLU C 1 14 ILE N -70.00 -20.00 -33.50 -33.83 -36.26 . . 0 "[ . 1 . 2]" 15 . 1 13 GLU C 1 14 ILE N 1 14 ILE CA 1 14 ILE C -85.00 -40.00 -68.71 -76.41 -57.70 . . 0 "[ . 1 . 2]" 16 . 1 14 ILE N 1 14 ILE CA 1 14 ILE C 1 15 PHE N -70.00 -20.00 -42.72 -32.17 -36.69 . . 0 "[ . 1 . 2]" 17 . 1 14 ILE C 1 15 PHE N 1 15 PHE CA 1 15 PHE C -85.00 -40.00 -66.49 -84.05 -56.12 . . 0 "[ . 1 . 2]" 18 . 1 15 PHE N 1 15 PHE CA 1 15 PHE C 1 16 GLU N -50.00 -9.00 -47.01 -26.58 -40.13 0.61 15 0 "[ . 1 . 2]" 19 . 1 15 PHE C 1 16 GLU N 1 16 GLU CA 1 16 GLU C -117.00 -60.00 -83.00 -100.41 -62.40 . . 0 "[ . 1 . 2]" 20 . 1 16 GLU N 1 16 GLU CA 1 16 GLU C 1 17 GLY N -40.00 10.00 -31.85 -40.89 -6.15 0.89 9 0 "[ . 1 . 2]" 21 . 1 20 PRO C 1 21 LEU N 1 21 LEU CA 1 21 LEU C -160.00 -90.00 -142.67 -157.73 -90.22 . . 0 "[ . 1 . 2]" 22 . 1 21 LEU N 1 21 LEU CA 1 21 LEU C 1 22 SER N 120.00 180.00 130.22 118.69 149.05 1.31 11 0 "[ . 1 . 2]" 23 . 1 21 LEU C 1 22 SER N 1 22 SER CA 1 22 SER C -85.00 -45.00 -83.78 -86.75 -72.18 1.75 5 0 "[ . 1 . 2]" 24 . 1 22 SER N 1 22 SER CA 1 22 SER C 1 23 GLU N 120.00 170.00 167.39 169.04 167.26 0.68 5 0 "[ . 1 . 2]" 25 . 1 22 SER C 1 23 GLU N 1 23 GLU CA 1 23 GLU C -80.00 -40.00 -63.02 -71.17 -80.63 0.63 1 0 "[ . 1 . 2]" 26 . 1 23 GLU N 1 23 GLU CA 1 23 GLU C 1 24 ASN N -60.00 -20.00 -39.29 -38.26 -40.63 . . 0 "[ . 1 . 2]" 27 . 1 23 GLU C 1 24 ASN N 1 24 ASN CA 1 24 ASN C -80.00 -40.00 -69.20 -65.56 -66.60 . . 0 "[ . 1 . 2]" 28 . 1 24 ASN N 1 24 ASN CA 1 24 ASN C 1 25 ASP N -40.00 0.00 -24.72 -39.91 -9.22 . . 0 "[ . 1 . 2]" 29 . 1 24 ASN C 1 25 ASP N 1 25 ASP CA 1 25 ASP C -85.00 -40.00 -76.45 -64.72 -68.35 0.65 5 0 "[ . 1 . 2]" 30 . 1 25 ASP N 1 25 ASP CA 1 25 ASP C 1 26 ILE N -50.00 0.00 -43.04 -50.02 -1.46 0.02 4 0 "[ . 1 . 2]" 31 . 1 25 ASP C 1 26 ILE N 1 26 ILE CA 1 26 ILE C -100.00 -65.00 -78.26 -99.95 -70.02 . . 0 "[ . 1 . 2]" 32 . 1 26 ILE N 1 26 ILE CA 1 26 ILE C 1 27 GLY N -38.46 0.00 -35.24 -38.74 -24.72 0.28 10 0 "[ . 1 . 2]" 33 . 1 28 VAL C 1 29 THR N 1 29 THR CA 1 29 THR C -85.00 -40.00 -80.09 -85.16 -85.24 0.59 14 0 "[ . 1 . 2]" 34 . 1 29 THR N 1 29 THR CA 1 29 THR C 1 30 GLU N 125.76 180.00 165.00 154.26 179.99 . . 0 "[ . 1 . 2]" 35 . 1 29 THR C 1 30 GLU N 1 30 GLU CA 1 30 GLU C -85.00 -40.00 -58.44 -52.09 -55.38 . . 0 "[ . 1 . 2]" 36 . 1 30 GLU N 1 30 GLU CA 1 30 GLU C 1 31 ASP N -60.00 -20.00 -40.63 -52.58 -53.20 0.32 6 0 "[ . 1 . 2]" 37 . 1 30 GLU C 1 31 ASP N 1 31 ASP CA 1 31 ASP C -85.00 -40.00 -58.75 -61.92 -65.24 . . 0 "[ . 1 . 2]" 38 . 1 31 ASP N 1 31 ASP CA 1 31 ASP C 1 32 GLN N -70.00 -20.00 -46.45 -62.08 -19.99 0.01 6 0 "[ . 1 . 2]" 39 . 1 31 ASP C 1 32 GLN N 1 32 GLN CA 1 32 GLN C -85.00 -40.00 -73.10 -82.44 -63.70 . . 0 "[ . 1 . 2]" 40 . 1 32 GLN N 1 32 GLN CA 1 32 GLN C 1 33 PHE N -70.00 -20.00 -34.37 -39.83 -46.11 0.05 8 0 "[ . 1 . 2]" 41 . 1 32 GLN C 1 33 PHE N 1 33 PHE CA 1 33 PHE C -85.00 -40.00 -64.86 -72.24 -58.07 . . 0 "[ . 1 . 2]" 42 . 1 33 PHE N 1 33 PHE CA 1 33 PHE C 1 34 ASP N -70.00 -20.00 -50.18 -36.39 -44.72 . . 0 "[ . 1 . 2]" 43 . 1 33 PHE C 1 34 ASP N 1 34 ASP CA 1 34 ASP C -85.00 -40.00 -58.66 -68.47 -52.96 . . 0 "[ . 1 . 2]" 44 . 1 34 ASP N 1 34 ASP CA 1 34 ASP C 1 35 ASP N -70.00 -20.00 -48.90 -49.71 -53.14 . . 0 "[ . 1 . 2]" 45 . 1 34 ASP C 1 35 ASP N 1 35 ASP CA 1 35 ASP C -85.00 -40.00 -56.99 -57.68 -58.90 . . 0 "[ . 1 . 2]" 46 . 1 35 ASP N 1 35 ASP CA 1 35 ASP C 1 36 ALA N -70.00 -20.00 -45.81 -56.80 -34.54 . . 0 "[ . 1 . 2]" 47 . 1 35 ASP C 1 36 ALA N 1 36 ALA CA 1 36 ALA C -85.00 -40.00 -64.41 -59.69 -60.34 . . 0 "[ . 1 . 2]" 48 . 1 36 ALA N 1 36 ALA CA 1 36 ALA C 1 37 VAL N -70.00 -20.00 -51.64 -59.90 -40.46 . . 0 "[ . 1 . 2]" 49 . 1 36 ALA C 1 37 VAL N 1 37 VAL CA 1 37 VAL C -85.00 -40.00 -60.44 -65.18 -57.05 . . 0 "[ . 1 . 2]" 50 . 1 37 VAL N 1 37 VAL CA 1 37 VAL C 1 38 ASN N -70.00 -20.00 -42.70 -47.76 -34.97 . . 0 "[ . 1 . 2]" 51 . 1 37 VAL C 1 38 ASN N 1 38 ASN CA 1 38 ASN C -85.00 -40.00 -63.47 -68.37 -59.19 . . 0 "[ . 1 . 2]" 52 . 1 38 ASN N 1 38 ASN CA 1 38 ASN C 1 39 PHE N -65.00 -20.00 -42.31 -42.90 -44.85 . . 0 "[ . 1 . 2]" 53 . 1 38 ASN C 1 39 PHE N 1 39 PHE CA 1 39 PHE C -85.00 -40.00 -65.35 -73.46 -56.02 . . 0 "[ . 1 . 2]" 54 . 1 39 PHE N 1 39 PHE CA 1 39 PHE C 1 40 LEU N -65.00 -20.00 -42.98 -43.40 -45.65 . . 0 "[ . 1 . 2]" 55 . 1 39 PHE C 1 40 LEU N 1 40 LEU CA 1 40 LEU C -85.00 -40.00 -62.05 -67.29 -56.20 . . 0 "[ . 1 . 2]" 56 . 1 40 LEU N 1 40 LEU CA 1 40 LEU C 1 41 LYS N -65.00 -20.00 -40.25 -46.75 -34.23 . . 0 "[ . 1 . 2]" 57 . 1 40 LEU C 1 41 LYS N 1 41 LYS CA 1 41 LYS C -85.00 -40.00 -70.09 -77.68 -63.95 . . 0 "[ . 1 . 2]" 58 . 1 41 LYS N 1 41 LYS CA 1 41 LYS C 1 42 ARG N -65.00 -20.00 -36.04 -38.99 -40.76 . . 0 "[ . 1 . 2]" 59 . 1 41 LYS C 1 42 ARG N 1 42 ARG CA 1 42 ARG C -85.00 -40.00 -63.98 -62.16 -66.37 . . 0 "[ . 1 . 2]" 60 . 1 42 ARG N 1 42 ARG CA 1 42 ARG C 1 43 GLU N -70.00 -20.00 -47.67 -60.50 -38.86 . . 0 "[ . 1 . 2]" 61 . 1 42 ARG C 1 43 GLU N 1 43 GLU CA 1 43 GLU C -100.00 -60.00 -79.23 -90.99 -71.08 . . 0 "[ . 1 . 2]" 62 . 1 43 GLU N 1 43 GLU CA 1 43 GLU C 1 44 GLY N -40.00 40.00 -16.99 -8.40 -13.01 0.37 11 0 "[ . 1 . 2]" 63 . 1 45 TYR C 1 46 ILE N 1 46 ILE CA 1 46 ILE C -160.00 -110.00 -139.31 -141.00 -142.36 . . 0 "[ . 1 . 2]" 64 . 1 46 ILE N 1 46 ILE CA 1 46 ILE C 1 47 ILE N 120.00 180.00 152.15 156.75 155.60 . . 0 "[ . 1 . 2]" 65 . 1 46 ILE C 1 47 ILE N 1 47 ILE CA 1 47 ILE C -168.36 -110.00 -131.65 -134.84 -126.90 . . 0 "[ . 1 . 2]" 66 . 1 47 ILE N 1 47 ILE CA 1 47 ILE C 1 48 GLY N 130.00 180.00 169.89 150.66 -179.83 0.17 11 0 "[ . 1 . 2]" 67 . 1 48 GLY C 1 49 VAL N 1 49 VAL CA 1 49 VAL C -100.00 -60.00 -75.07 -76.67 -77.79 0.07 10 0 "[ . 1 . 2]" 68 . 1 49 VAL N 1 49 VAL CA 1 49 VAL C 1 50 HIS N 110.00 150.00 120.60 124.90 122.81 0.09 3 0 "[ . 1 . 2]" 69 . 1 49 VAL C 1 50 HIS N 1 50 HIS CA 1 50 HIS C -120.00 -80.00 -93.05 -101.98 -106.79 0.03 12 0 "[ . 1 . 2]" 70 . 1 50 HIS N 1 50 HIS CA 1 50 HIS C 1 51 TYR N 110.00 160.00 121.94 141.03 135.91 0.29 6 0 "[ . 1 . 2]" 71 . 1 50 HIS C 1 51 TYR N 1 51 TYR CA 1 51 TYR C -120.00 -70.00 -99.60 -119.99 -78.39 . . 0 "[ . 1 . 2]" 72 . 1 51 TYR N 1 51 TYR CA 1 51 TYR C 1 52 SER N 110.00 160.00 137.44 143.28 142.99 0.04 4 0 "[ . 1 . 2]" 73 . 1 63 PRO N 1 63 PRO CA 1 63 PRO C 1 64 GLU N 100.00 160.00 120.97 109.07 107.67 . . 0 "[ . 1 . 2]" 74 . 1 63 PRO C 1 64 GLU N 1 64 GLU CA 1 64 GLU C -167.58 -100.00 -122.51 -108.44 -110.55 . . 0 "[ . 1 . 2]" 75 . 1 64 GLU N 1 64 GLU CA 1 64 GLU C 1 65 LEU N 140.01 -177.61 148.64 148.85 145.19 0.04 6 0 "[ . 1 . 2]" 76 . 1 65 LEU C 1 66 THR N 1 66 THR CA 1 66 THR C -120.00 -80.00 -88.52 -104.55 -79.96 0.04 4 0 "[ . 1 . 2]" 77 . 1 66 THR N 1 66 THR CA 1 66 THR C 1 67 GLU N 140.00 180.00 172.61 177.09 173.85 0.19 2 0 "[ . 1 . 2]" 78 . 1 66 THR C 1 67 GLU N 1 67 GLU CA 1 67 GLU C -85.00 -40.00 -61.42 -59.46 -62.07 . . 0 "[ . 1 . 2]" 79 . 1 67 GLU N 1 67 GLU CA 1 67 GLU C 1 68 LYS N -65.00 -20.00 -35.42 -47.55 -20.00 0.00 18 0 "[ . 1 . 2]" 80 . 1 67 GLU C 1 68 LYS N 1 68 LYS CA 1 68 LYS C -85.00 -40.00 -60.45 -61.46 -62.89 . . 0 "[ . 1 . 2]" 81 . 1 68 LYS N 1 68 LYS CA 1 68 LYS C 1 69 GLY N -65.00 -20.00 -47.88 -55.39 -40.45 . . 0 "[ . 1 . 2]" 82 . 1 68 LYS C 1 69 GLY N 1 69 GLY CA 1 69 GLY C -85.00 -40.00 -69.90 -76.91 -59.80 . . 0 "[ . 1 . 2]" 83 . 1 69 GLY N 1 69 GLY CA 1 69 GLY C 1 70 GLU N -65.00 -20.00 -39.75 -38.67 -41.54 . . 0 "[ . 1 . 2]" 84 . 1 69 GLY C 1 70 GLU N 1 70 GLU CA 1 70 GLU C -85.00 -40.00 -62.60 -62.67 -62.97 . . 0 "[ . 1 . 2]" 85 . 1 70 GLU N 1 70 GLU CA 1 70 GLU C 1 71 ASN N -65.00 -20.00 -43.19 -53.44 -34.60 . . 0 "[ . 1 . 2]" 86 . 1 70 GLU C 1 71 ASN N 1 71 ASN CA 1 71 ASN C -85.00 -40.00 -71.64 -61.53 -63.23 . . 0 "[ . 1 . 2]" 87 . 1 71 ASN N 1 71 ASN CA 1 71 ASN C 1 72 TYR N -65.00 -20.00 -29.88 -41.24 -20.04 . . 0 "[ . 1 . 2]" 88 . 1 71 ASN C 1 72 TYR N 1 72 TYR CA 1 72 TYR C -85.00 -40.00 -65.59 -61.61 -62.57 . . 0 "[ . 1 . 2]" 89 . 1 72 TYR N 1 72 TYR CA 1 72 TYR C 1 73 LEU N -65.00 -20.00 -34.34 -47.16 -24.92 . . 0 "[ . 1 . 2]" 90 . 1 72 TYR C 1 73 LEU N 1 73 LEU CA 1 73 LEU C -85.00 -40.00 -61.59 -58.97 -59.92 . . 0 "[ . 1 . 2]" 91 . 1 73 LEU N 1 73 LEU CA 1 73 LEU C 1 74 LYS N -65.00 -20.00 -32.83 -46.96 -19.05 0.95 6 0 "[ . 1 . 2]" 92 . 1 73 LEU C 1 74 LYS N 1 74 LYS CA 1 74 LYS C -85.00 -40.00 -61.89 -66.50 -68.44 . . 0 "[ . 1 . 2]" 93 . 1 74 LYS N 1 74 LYS CA 1 74 LYS C 1 75 GLU N -65.00 -20.00 -42.82 -65.12 -29.05 0.12 7 0 "[ . 1 . 2]" 94 . 1 74 LYS C 1 75 GLU N 1 75 GLU CA 1 75 GLU C -85.00 -40.00 -77.05 -77.12 -83.15 0.45 3 0 "[ . 1 . 2]" 95 . 1 75 GLU N 1 75 GLU CA 1 75 GLU C 1 76 ASN N -65.00 -20.00 -40.23 -40.30 -43.18 0.36 14 0 "[ . 1 . 2]" 96 . 1 7 ARG C 1 8 TYR N 1 8 TYR CA 1 8 TYR C -100.00 -30.00 -65.43 -100.10 -51.85 0.10 9 0 "[ . 1 . 2]" 97 . 1 8 TYR C 1 9 ALA N 1 9 ALA CA 1 9 ALA C -100.00 -30.00 -62.36 -78.38 -55.53 . . 0 "[ . 1 . 2]" 98 . 1 8 TYR N 1 8 TYR CA 1 8 TYR C 1 9 ALA N -75.00 5.00 -45.01 -57.41 -40.79 . . 0 "[ . 1 . 2]" 99 . 1 9 ALA C 1 10 ILE N 1 10 ILE CA 1 10 ILE C -100.00 -30.00 -61.90 -65.17 -69.01 . . 0 "[ . 1 . 2]" 100 . 1 9 ALA N 1 9 ALA CA 1 9 ALA C 1 10 ILE N -75.00 5.00 -41.37 -38.56 -41.02 . . 0 "[ . 1 . 2]" 101 . 1 10 ILE C 1 11 LEU N 1 11 LEU CA 1 11 LEU C -100.00 -30.00 -59.04 -66.22 -52.43 . . 0 "[ . 1 . 2]" 102 . 1 10 ILE N 1 10 ILE CA 1 10 ILE C 1 11 LEU N -75.00 5.00 -43.40 -52.79 -30.34 . . 0 "[ . 1 . 2]" 103 . 1 11 LEU C 1 12 LYS N 1 12 LYS CA 1 12 LYS C -100.00 -30.00 -68.61 -77.68 -61.93 . . 0 "[ . 1 . 2]" 104 . 1 11 LEU N 1 11 LEU CA 1 11 LEU C 1 12 LYS N -75.00 5.00 -42.22 -41.43 -43.64 . . 0 "[ . 1 . 2]" 105 . 1 12 LYS C 1 13 GLU N 1 13 GLU CA 1 13 GLU C -100.00 -30.00 -67.20 -81.04 -58.05 . . 0 "[ . 1 . 2]" 106 . 1 12 LYS N 1 12 LYS CA 1 12 LYS C 1 13 GLU N -75.00 5.00 -39.23 -30.32 -39.15 . . 0 "[ . 1 . 2]" 107 . 1 13 GLU C 1 14 ILE N 1 14 ILE CA 1 14 ILE C -100.00 -30.00 -68.71 -76.41 -57.70 . . 0 "[ . 1 . 2]" 108 . 1 13 GLU N 1 13 GLU CA 1 13 GLU C 1 14 ILE N -75.00 5.00 -33.50 -33.83 -36.26 . . 0 "[ . 1 . 2]" 109 . 1 14 ILE C 1 15 PHE N 1 15 PHE CA 1 15 PHE C -100.00 -30.00 -66.49 -84.05 -56.12 . . 0 "[ . 1 . 2]" 110 . 1 14 ILE N 1 14 ILE CA 1 14 ILE C 1 15 PHE N -75.00 5.00 -42.72 -32.17 -36.69 . . 0 "[ . 1 . 2]" 111 . 1 15 PHE C 1 16 GLU N 1 16 GLU CA 1 16 GLU C -100.00 -30.00 -83.00 -100.41 -62.40 0.41 2 0 "[ . 1 . 2]" 112 . 1 15 PHE N 1 15 PHE CA 1 15 PHE C 1 16 GLU N -75.00 5.00 -47.01 -26.58 -40.13 . . 0 "[ . 1 . 2]" 113 . 1 16 GLU C 1 17 GLY N 1 17 GLY CA 1 17 GLY C -100.00 -30.00 -83.66 -100.82 -72.19 0.82 2 0 "[ . 1 . 2]" 114 . 1 17 GLY N 1 17 GLY CA 1 17 GLY C 1 18 ASN N -75.00 5.00 -20.25 -14.76 -16.00 . . 0 "[ . 1 . 2]" 115 . 1 16 GLU N 1 16 GLU CA 1 16 GLU C 1 17 GLY N -75.00 5.00 -31.85 -40.89 -6.15 . . 0 "[ . 1 . 2]" 116 . 1 29 THR C 1 30 GLU N 1 30 GLU CA 1 30 GLU C -100.00 -30.00 -58.44 -52.09 -55.38 . . 0 "[ . 1 . 2]" 117 . 1 30 GLU C 1 31 ASP N 1 31 ASP CA 1 31 ASP C -100.00 -30.00 -58.75 -61.92 -65.24 . . 0 "[ . 1 . 2]" 118 . 1 30 GLU N 1 30 GLU CA 1 30 GLU C 1 31 ASP N -75.00 5.00 -40.63 -52.58 -53.20 . . 0 "[ . 1 . 2]" 119 . 1 31 ASP C 1 32 GLN N 1 32 GLN CA 1 32 GLN C -100.00 -30.00 -73.10 -82.44 -63.70 . . 0 "[ . 1 . 2]" 120 . 1 31 ASP N 1 31 ASP CA 1 31 ASP C 1 32 GLN N -75.00 5.00 -46.45 -62.08 -19.99 . . 0 "[ . 1 . 2]" 121 . 1 32 GLN C 1 33 PHE N 1 33 PHE CA 1 33 PHE C -100.00 -30.00 -64.86 -72.24 -58.07 . . 0 "[ . 1 . 2]" 122 . 1 32 GLN N 1 32 GLN CA 1 32 GLN C 1 33 PHE N -75.00 5.00 -34.37 -39.83 -46.11 . . 0 "[ . 1 . 2]" 123 . 1 33 PHE C 1 34 ASP N 1 34 ASP CA 1 34 ASP C -100.00 -30.00 -58.66 -68.47 -52.96 . . 0 "[ . 1 . 2]" 124 . 1 33 PHE N 1 33 PHE CA 1 33 PHE C 1 34 ASP N -75.00 5.00 -50.18 -36.39 -44.72 . . 0 "[ . 1 . 2]" 125 . 1 34 ASP C 1 35 ASP N 1 35 ASP CA 1 35 ASP C -100.00 -30.00 -56.99 -57.68 -58.90 . . 0 "[ . 1 . 2]" 126 . 1 34 ASP N 1 34 ASP CA 1 34 ASP C 1 35 ASP N -75.00 5.00 -48.90 -49.71 -53.14 . . 0 "[ . 1 . 2]" 127 . 1 35 ASP C 1 36 ALA N 1 36 ALA CA 1 36 ALA C -100.00 -30.00 -64.41 -59.69 -60.34 . . 0 "[ . 1 . 2]" 128 . 1 35 ASP N 1 35 ASP CA 1 35 ASP C 1 36 ALA N -75.00 5.00 -45.81 -56.80 -34.54 . . 0 "[ . 1 . 2]" 129 . 1 36 ALA C 1 37 VAL N 1 37 VAL CA 1 37 VAL C -100.00 -30.00 -60.44 -65.18 -57.05 . . 0 "[ . 1 . 2]" 130 . 1 36 ALA N 1 36 ALA CA 1 36 ALA C 1 37 VAL N -75.00 5.00 -51.64 -59.90 -40.46 . . 0 "[ . 1 . 2]" 131 . 1 37 VAL C 1 38 ASN N 1 38 ASN CA 1 38 ASN C -100.00 -30.00 -63.47 -68.37 -59.19 . . 0 "[ . 1 . 2]" 132 . 1 37 VAL N 1 37 VAL CA 1 37 VAL C 1 38 ASN N -75.00 5.00 -42.70 -47.76 -34.97 . . 0 "[ . 1 . 2]" 133 . 1 38 ASN C 1 39 PHE N 1 39 PHE CA 1 39 PHE C -100.00 -30.00 -65.35 -73.46 -56.02 . . 0 "[ . 1 . 2]" 134 . 1 38 ASN N 1 38 ASN CA 1 38 ASN C 1 39 PHE N -75.00 5.00 -42.31 -42.90 -44.85 . . 0 "[ . 1 . 2]" 135 . 1 39 PHE C 1 40 LEU N 1 40 LEU CA 1 40 LEU C -100.00 -30.00 -62.05 -67.29 -56.20 . . 0 "[ . 1 . 2]" 136 . 1 39 PHE N 1 39 PHE CA 1 39 PHE C 1 40 LEU N -75.00 5.00 -42.98 -43.40 -45.65 . . 0 "[ . 1 . 2]" 137 . 1 40 LEU C 1 41 LYS N 1 41 LYS CA 1 41 LYS C -100.00 -30.00 -70.09 -77.68 -63.95 . . 0 "[ . 1 . 2]" 138 . 1 40 LEU N 1 40 LEU CA 1 40 LEU C 1 41 LYS N -75.00 5.00 -40.25 -46.75 -34.23 . . 0 "[ . 1 . 2]" 139 . 1 41 LYS C 1 42 ARG N 1 42 ARG CA 1 42 ARG C -100.00 -30.00 -63.98 -62.16 -66.37 . . 0 "[ . 1 . 2]" 140 . 1 41 LYS N 1 41 LYS CA 1 41 LYS C 1 42 ARG N -75.00 5.00 -36.04 -38.99 -40.76 . . 0 "[ . 1 . 2]" 141 . 1 42 ARG N 1 42 ARG CA 1 42 ARG C 1 43 GLU N -75.00 5.00 -47.67 -60.50 -38.86 . . 0 "[ . 1 . 2]" 142 . 1 66 THR C 1 67 GLU N 1 67 GLU CA 1 67 GLU C -100.00 -30.00 -61.42 -59.46 -62.07 . . 0 "[ . 1 . 2]" 143 . 1 67 GLU C 1 68 LYS N 1 68 LYS CA 1 68 LYS C -100.00 -30.00 -60.45 -61.46 -62.89 . . 0 "[ . 1 . 2]" 144 . 1 67 GLU N 1 67 GLU CA 1 67 GLU C 1 68 LYS N -75.00 5.00 -35.42 -47.55 -20.00 . . 0 "[ . 1 . 2]" 145 . 1 68 LYS C 1 69 GLY N 1 69 GLY CA 1 69 GLY C -100.00 -30.00 -69.90 -76.91 -59.80 . . 0 "[ . 1 . 2]" 146 . 1 68 LYS N 1 68 LYS CA 1 68 LYS C 1 69 GLY N -75.00 5.00 -47.88 -55.39 -40.45 . . 0 "[ . 1 . 2]" 147 . 1 69 GLY C 1 70 GLU N 1 70 GLU CA 1 70 GLU C -100.00 -30.00 -62.60 -62.67 -62.97 . . 0 "[ . 1 . 2]" 148 . 1 69 GLY N 1 69 GLY CA 1 69 GLY C 1 70 GLU N -75.00 5.00 -39.75 -38.67 -41.54 . . 0 "[ . 1 . 2]" 149 . 1 70 GLU C 1 71 ASN N 1 71 ASN CA 1 71 ASN C -100.00 -30.00 -71.64 -61.53 -63.23 . . 0 "[ . 1 . 2]" 150 . 1 70 GLU N 1 70 GLU CA 1 70 GLU C 1 71 ASN N -75.00 5.00 -43.19 -53.44 -34.60 . . 0 "[ . 1 . 2]" 151 . 1 71 ASN C 1 72 TYR N 1 72 TYR CA 1 72 TYR C -100.00 -30.00 -65.59 -61.61 -62.57 . . 0 "[ . 1 . 2]" 152 . 1 71 ASN N 1 71 ASN CA 1 71 ASN C 1 72 TYR N -75.00 5.00 -29.88 -41.24 -20.04 . . 0 "[ . 1 . 2]" 153 . 1 72 TYR C 1 73 LEU N 1 73 LEU CA 1 73 LEU C -100.00 -30.00 -61.59 -58.97 -59.92 . . 0 "[ . 1 . 2]" 154 . 1 72 TYR N 1 72 TYR CA 1 72 TYR C 1 73 LEU N -75.00 5.00 -34.34 -47.16 -24.92 . . 0 "[ . 1 . 2]" 155 . 1 73 LEU C 1 74 LYS N 1 74 LYS CA 1 74 LYS C -100.00 -30.00 -61.89 -66.50 -68.44 . . 0 "[ . 1 . 2]" 156 . 1 73 LEU N 1 73 LEU CA 1 73 LEU C 1 74 LYS N -75.00 5.00 -32.83 -46.96 -19.05 . . 0 "[ . 1 . 2]" 157 . 1 74 LYS C 1 75 GLU N 1 75 GLU CA 1 75 GLU C -100.00 -30.00 -77.05 -77.12 -83.15 . . 0 "[ . 1 . 2]" 158 . 1 74 LYS N 1 74 LYS CA 1 74 LYS C 1 75 GLU N -75.00 5.00 -42.82 -65.12 -29.05 . . 0 "[ . 1 . 2]" 159 . 1 75 GLU C 1 76 ASN N 1 76 ASN CA 1 76 ASN C -100.00 -30.00 -86.35 -98.95 -61.56 . . 0 "[ . 1 . 2]" 160 . 1 75 GLU N 1 75 GLU CA 1 75 GLU C 1 76 ASN N -75.00 5.00 -40.23 -40.30 -43.18 . . 0 "[ . 1 . 2]" 161 . 1 76 ASN C 1 77 GLY N 1 77 GLY CA 1 77 GLY C -100.00 -30.00 -58.75 -52.94 -57.52 . . 0 "[ . 1 . 2]" 162 . 1 77 GLY N 1 77 GLY CA 1 77 GLY C 1 78 THR N -75.00 5.00 -17.75 -41.38 0.90 . . 0 "[ . 1 . 2]" 163 . 1 76 ASN N 1 76 ASN CA 1 76 ASN C 1 77 GLY N -75.00 5.00 2.09 5.77 5.66 0.83 2 0 "[ . 1 . 2]" stop_ save_
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