NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
572666 | 2mgx | 19607 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2mgx save_dihedral_constraint_statistics_1 _TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics _TA_constraint_stats_list.Constraint_count 177 _TA_constraint_stats_list.Viol_count 248 _TA_constraint_stats_list.Viol_total 6510.41 _TA_constraint_stats_list.Viol_max 9.30 _TA_constraint_stats_list.Viol_rms 0.77 _TA_constraint_stats_list.Viol_average_all_restraints 0.16 _TA_constraint_stats_list.Viol_average_violations_only 1.75 _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 GLU C 1 4 ALA N 1 4 ALA CA 1 4 ALA C -100.00 -37.48 -84.16 -72.60 -80.01 0.52 12 0 "[ . 1 .]" 2 . 1 4 ALA N 1 4 ALA CA 1 4 ALA C 1 5 VAL N 110.00 177.44 128.98 108.87 151.77 1.13 9 0 "[ . 1 .]" 3 . 1 4 ALA C 1 5 VAL N 1 5 VAL CA 1 5 VAL C -110.00 -49.46 -88.49 -89.62 -94.19 . . 0 "[ . 1 .]" 4 . 1 5 VAL N 1 5 VAL CA 1 5 VAL C 1 6 MET N 130.00 -160.28 136.66 144.26 142.32 2.81 14 0 "[ . 1 .]" 5 . 1 5 VAL C 1 6 MET N 1 6 MET CA 1 6 MET C -80.00 -38.94 -67.14 -78.08 -52.20 . . 0 "[ . 1 .]" 6 . 1 6 MET N 1 6 MET CA 1 6 MET C 1 7 GLU N -70.00 -10.96 -28.47 -34.06 -42.50 0.89 11 0 "[ . 1 .]" 7 . 1 6 MET C 1 7 GLU N 1 7 GLU CA 1 7 GLU C -90.00 -29.96 -64.01 -75.08 -51.76 . . 0 "[ . 1 .]" 8 . 1 7 GLU N 1 7 GLU CA 1 7 GLU C 1 8 ASP N -70.00 -19.62 -36.60 -40.53 -50.43 . . 0 "[ . 1 .]" 9 . 1 7 GLU C 1 8 ASP N 1 8 ASP CA 1 8 ASP C -80.00 -48.54 -69.77 -69.61 -71.30 . . 0 "[ . 1 .]" 10 . 1 8 ASP N 1 8 ASP CA 1 8 ASP C 1 9 VAL N -70.00 -19.74 -28.42 -34.53 -21.86 . . 0 "[ . 1 .]" 11 . 1 8 ASP C 1 9 VAL N 1 9 VAL CA 1 9 VAL C -80.00 -49.68 -80.73 -81.28 -81.69 2.59 1 0 "[ . 1 .]" 12 . 1 9 VAL N 1 9 VAL CA 1 9 VAL C 1 10 LEU N -60.00 -29.42 -32.62 -31.29 -34.88 1.36 8 0 "[ . 1 .]" 13 . 1 9 VAL C 1 10 LEU N 1 10 LEU CA 1 10 LEU C -90.00 -39.32 -72.53 -76.28 -77.70 . . 0 "[ . 1 .]" 14 . 1 10 LEU N 1 10 LEU CA 1 10 LEU C 1 11 ARG N -70.00 -16.66 -33.33 -26.52 -30.93 . . 0 "[ . 1 .]" 15 . 1 10 LEU C 1 11 ARG N 1 11 ARG CA 1 11 ARG C -80.00 -33.12 -58.80 -60.64 -61.63 . . 0 "[ . 1 .]" 16 . 1 11 ARG N 1 11 ARG CA 1 11 ARG C 1 12 PRO N -70.00 -30.52 -53.91 -59.71 -47.77 . . 0 "[ . 1 .]" 17 . 1 11 ARG C 1 12 PRO N 1 12 PRO CA 1 12 PRO C -80.00 -39.52 -68.75 -80.91 -51.36 0.91 8 0 "[ . 1 .]" 18 . 1 12 PRO N 1 12 PRO CA 1 12 PRO C 1 13 LEU N -70.00 -9.40 -23.55 -14.75 -19.01 . . 0 "[ . 1 .]" 19 . 1 12 PRO C 1 13 LEU N 1 13 LEU CA 1 13 LEU C -90.00 -39.88 -66.04 -65.84 -66.61 . . 0 "[ . 1 .]" 20 . 1 13 LEU N 1 13 LEU CA 1 13 LEU C 1 14 GLU N -70.00 -16.96 -45.49 -46.60 -49.82 . . 0 "[ . 1 .]" 21 . 1 13 LEU C 1 14 GLU N 1 14 GLU CA 1 14 GLU C -90.00 -39.36 -62.20 -68.84 -54.63 . . 0 "[ . 1 .]" 22 . 1 14 GLU N 1 14 GLU CA 1 14 GLU C 1 15 GLN N -70.00 -18.56 -29.34 -29.80 -34.93 0.62 12 0 "[ . 1 .]" 23 . 1 14 GLU C 1 15 GLN N 1 15 GLN CA 1 15 GLN C -90.00 -33.66 -68.48 -63.95 -66.68 . . 0 "[ . 1 .]" 24 . 1 15 GLN N 1 15 GLN CA 1 15 GLN C 1 16 ALA N -70.00 -17.74 -31.68 -45.89 -21.68 . . 0 "[ . 1 .]" 25 . 1 15 GLN C 1 16 ALA N 1 16 ALA CA 1 16 ALA C -80.00 -49.72 -73.46 -73.92 -77.85 3.27 12 0 "[ . 1 .]" 26 . 1 16 ALA N 1 16 ALA CA 1 16 ALA C 1 17 LEU N -60.00 -29.88 -35.40 -34.01 -36.07 0.81 10 0 "[ . 1 .]" 27 . 1 16 ALA C 1 17 LEU N 1 17 LEU CA 1 17 LEU C -90.00 -39.82 -70.19 -79.66 -62.34 . . 0 "[ . 1 .]" 28 . 1 17 LEU N 1 17 LEU CA 1 17 LEU C 1 18 GLU N -60.00 -29.26 -35.97 -44.37 -26.54 2.72 7 0 "[ . 1 .]" 29 . 1 17 LEU C 1 18 GLU N 1 18 GLU CA 1 18 GLU C -80.00 -48.08 -58.47 -64.42 -67.33 . . 0 "[ . 1 .]" 30 . 1 18 GLU N 1 18 GLU CA 1 18 GLU C 1 19 ASP N -70.00 -15.70 -26.46 -35.80 -17.82 . . 0 "[ . 1 .]" 31 . 1 18 GLU C 1 19 ASP N 1 19 ASP CA 1 19 ASP C -90.00 -39.64 -87.99 -91.93 -69.62 1.93 15 0 "[ . 1 .]" 32 . 1 19 ASP N 1 19 ASP CA 1 19 ASP C 1 20 CYS N -70.00 -18.98 -51.31 -64.57 -27.21 . . 0 "[ . 1 .]" 33 . 1 19 ASP C 1 20 CYS N 1 20 CYS CA 1 20 CYS C -90.00 -38.54 -82.51 -85.96 -87.91 1.34 7 0 "[ . 1 .]" 34 . 1 20 CYS N 1 20 CYS CA 1 20 CYS C 1 21 ARG N -70.00 -14.48 -31.40 -70.33 -12.22 2.26 5 0 "[ . 1 .]" 35 . 1 20 CYS C 1 21 ARG N 1 21 ARG CA 1 21 ARG C -90.00 -39.30 -60.47 -60.70 -60.82 . . 0 "[ . 1 .]" 36 . 1 21 ARG N 1 21 ARG CA 1 21 ARG C 1 22 GLY N -70.00 -8.72 -23.31 -55.23 -8.06 0.66 4 0 "[ . 1 .]" 37 . 1 22 GLY C 1 23 HIS N 1 23 HIS CA 1 23 HIS C -100.00 -30.00 -80.68 -96.35 -99.39 2.49 4 0 "[ . 1 .]" 38 . 1 23 HIS N 1 23 HIS CA 1 23 HIS C 1 24 THR N 100.00 168.28 98.61 94.41 118.23 5.59 15 2 "[ - . 1 +]" 39 . 1 23 HIS C 1 24 THR N 1 24 THR CA 1 24 THR C -100.00 -28.58 -87.97 -104.33 -59.13 4.33 15 0 "[ . 1 .]" 40 . 1 24 THR N 1 24 THR CA 1 24 THR C 1 25 ARG N -70.00 15.90 -22.91 17.15 13.10 7.40 6 2 "[ .+ - 1 .]" 41 . 1 24 THR C 1 25 ARG N 1 25 ARG CA 1 25 ARG C -90.00 -28.16 -77.61 -66.65 -89.85 7.88 6 3 "[ .+ 1- *.]" 42 . 1 25 ARG N 1 25 ARG CA 1 25 ARG C 1 26 LYS N -70.00 -1.24 -43.16 -70.72 -0.21 1.03 1 0 "[ . 1 .]" 43 . 1 27 GLN N 1 27 GLN CA 1 27 GLN C 1 28 VAL N -70.00 -14.34 -18.53 -50.63 -6.03 8.31 8 4 "[ -. *+ 1 * .]" 44 . 1 27 GLN C 1 28 VAL N 1 28 VAL CA 1 28 VAL C -90.00 -39.88 -52.03 -52.18 -54.04 . . 0 "[ . 1 .]" 45 . 1 28 VAL N 1 28 VAL CA 1 28 VAL C 1 29 CYS N -70.00 -19.46 -48.18 -65.24 -30.73 . . 0 "[ . 1 .]" 46 . 1 28 VAL C 1 29 CYS N 1 29 CYS CA 1 29 CYS C -90.00 -39.68 -72.36 -88.32 -60.08 . . 0 "[ . 1 .]" 47 . 1 29 CYS N 1 29 CYS CA 1 29 CYS C 1 30 ASP N -70.00 -17.60 -37.74 -41.33 -54.07 . . 0 "[ . 1 .]" 48 . 1 29 CYS C 1 30 ASP N 1 30 ASP CA 1 30 ASP C -90.00 -31.24 -62.43 -56.68 -56.92 . . 0 "[ . 1 .]" 49 . 1 30 ASP N 1 30 ASP CA 1 30 ASP C 1 31 ASP N -70.00 -16.72 -42.73 -52.88 -26.78 . . 0 "[ . 1 .]" 50 . 1 30 ASP C 1 31 ASP N 1 31 ASP CA 1 31 ASP C -80.00 -47.28 -64.18 -65.82 -67.97 . . 0 "[ . 1 .]" 51 . 1 31 ASP N 1 31 ASP CA 1 31 ASP C 1 32 ILE N -70.00 -19.70 -48.86 -58.82 -62.86 . . 0 "[ . 1 .]" 52 . 1 31 ASP C 1 32 ILE N 1 32 ILE CA 1 32 ILE C -80.00 -49.88 -67.62 -68.30 -70.56 1.57 7 0 "[ . 1 .]" 53 . 1 32 ILE N 1 32 ILE CA 1 32 ILE C 1 33 SER N -70.00 -19.50 -41.80 -56.92 -32.80 . . 0 "[ . 1 .]" 54 . 1 32 ILE C 1 33 SER N 1 33 SER CA 1 33 SER C -80.00 -33.70 -65.47 -67.01 -67.42 . . 0 "[ . 1 .]" 55 . 1 33 SER N 1 33 SER CA 1 33 SER C 1 34 ARG N -70.00 -19.44 -38.41 -49.58 -30.60 . . 0 "[ . 1 .]" 56 . 1 33 SER C 1 34 ARG N 1 34 ARG CA 1 34 ARG C -90.00 -39.76 -67.92 -77.56 -60.10 . . 0 "[ . 1 .]" 57 . 1 34 ARG N 1 34 ARG CA 1 34 ARG C 1 35 ARG N -70.00 -18.62 -38.74 -41.08 -44.97 . . 0 "[ . 1 .]" 58 . 1 34 ARG C 1 35 ARG N 1 35 ARG CA 1 35 ARG C -80.00 -47.60 -71.98 -71.23 -71.60 . . 0 "[ . 1 .]" 59 . 1 35 ARG N 1 35 ARG CA 1 35 ARG C 1 36 LEU N -70.00 -19.50 -28.77 -37.33 -19.17 0.33 11 0 "[ . 1 .]" 60 . 1 35 ARG C 1 36 LEU N 1 36 LEU CA 1 36 LEU C -90.00 -38.18 -62.76 -59.13 -60.20 . . 0 "[ . 1 .]" 61 . 1 36 LEU N 1 36 LEU CA 1 36 LEU C 1 37 ALA N -70.00 -19.80 -43.69 -57.92 -34.66 . . 0 "[ . 1 .]" 62 . 1 36 LEU C 1 37 ALA N 1 37 ALA CA 1 37 ALA C -90.00 -39.88 -63.34 -66.14 -70.88 . . 0 "[ . 1 .]" 63 . 1 37 ALA N 1 37 ALA CA 1 37 ALA C 1 38 LEU N -70.00 -18.40 -36.87 -47.25 -28.26 . . 0 "[ . 1 .]" 64 . 1 37 ALA C 1 38 LEU N 1 38 LEU CA 1 38 LEU C -80.00 -49.88 -62.55 -67.75 -71.90 . . 0 "[ . 1 .]" 65 . 1 38 LEU N 1 38 LEU CA 1 38 LEU C 1 39 LEU N -70.00 -19.82 -42.91 -49.06 -37.12 . . 0 "[ . 1 .]" 66 . 1 38 LEU C 1 39 LEU N 1 39 LEU CA 1 39 LEU C -80.00 -49.96 -58.54 -67.00 -51.06 . . 0 "[ . 1 .]" 67 . 1 39 LEU N 1 39 LEU CA 1 39 LEU C 1 40 GLN N -60.00 -29.84 -44.60 -35.90 -39.77 . . 0 "[ . 1 .]" 68 . 1 39 LEU C 1 40 GLN N 1 40 GLN CA 1 40 GLN C -80.00 -48.82 -63.54 -69.45 -55.97 . . 0 "[ . 1 .]" 69 . 1 40 GLN N 1 40 GLN CA 1 40 GLN C 1 41 GLU N -70.00 -18.42 -43.53 -52.96 -29.17 . . 0 "[ . 1 .]" 70 . 1 40 GLN C 1 41 GLU N 1 41 GLU CA 1 41 GLU C -90.00 -28.80 -72.79 -77.24 -80.95 . . 0 "[ . 1 .]" 71 . 1 41 GLU N 1 41 GLU CA 1 41 GLU C 1 42 GLN N -70.00 -16.62 -34.69 -49.72 -20.15 . . 0 "[ . 1 .]" 72 . 1 41 GLU C 1 42 GLN N 1 42 GLN CA 1 42 GLN C -90.00 -39.94 -72.23 -82.09 -62.31 . . 0 "[ . 1 .]" 73 . 1 42 GLN N 1 42 GLN CA 1 42 GLN C 1 43 TRP N -70.00 -14.68 -34.42 -31.05 -32.74 . . 0 "[ . 1 .]" 74 . 1 42 GLN C 1 43 TRP N 1 43 TRP CA 1 43 TRP C -90.00 -39.76 -71.88 -82.86 -62.26 . . 0 "[ . 1 .]" 75 . 1 43 TRP N 1 43 TRP CA 1 43 TRP C 1 44 ALA N -70.00 -11.96 -41.20 -55.90 -27.69 . . 0 "[ . 1 .]" 76 . 1 43 TRP C 1 44 ALA N 1 44 ALA CA 1 44 ALA C -90.00 -39.56 -80.87 -69.73 -74.45 1.09 6 0 "[ . 1 .]" 77 . 1 44 ALA N 1 44 ALA CA 1 44 ALA C 1 45 GLY N -60.00 -19.94 -62.14 -59.02 -60.98 5.27 4 1 "[ +. 1 .]" 78 . 1 44 ALA C 1 45 GLY N 1 45 GLY CA 1 45 GLY C -90.00 -39.94 -89.35 -94.84 -81.27 4.84 4 0 "[ . 1 .]" 79 . 1 45 GLY N 1 45 GLY CA 1 45 GLY C 1 46 GLY N -70.00 -0.48 -42.66 -79.30 -19.27 9.30 4 4 "[ * +* 1- .]" 80 . 1 45 GLY C 1 46 GLY N 1 46 GLY CA 1 46 GLY C -110.00 -11.18 -88.09 -116.89 -70.22 6.89 2 3 "[ + -* 1 .]" 81 . 1 46 GLY N 1 46 GLY CA 1 46 GLY C 1 47 LYS N -50.00 1.96 -23.58 -52.02 -5.99 2.02 2 0 "[ . 1 .]" 82 . 1 47 LYS C 1 48 LEU N 1 48 LEU CA 1 48 LEU C -180.00 -49.90 -66.98 -99.82 -53.40 . . 0 "[ . 1 .]" 83 . 1 48 LEU N 1 48 LEU CA 1 48 LEU C 1 49 SER N 100.00 -157.58 150.04 121.95 172.85 . . 0 "[ . 1 .]" 84 . 1 48 LEU C 1 49 SER N 1 49 SER CA 1 49 SER C -110.00 -60.10 -75.38 -103.30 -63.48 . . 0 "[ . 1 .]" 85 . 1 49 SER N 1 49 SER CA 1 49 SER C 1 50 ILE N 140.00 -169.68 155.35 167.92 159.38 0.61 8 0 "[ . 1 .]" 86 . 1 49 SER C 1 50 ILE N 1 50 ILE CA 1 50 ILE C -80.00 -30.08 -52.34 -51.55 -51.68 . . 0 "[ . 1 .]" 87 . 1 50 ILE N 1 50 ILE CA 1 50 ILE C 1 51 PRO N -70.00 -37.76 -53.88 -53.64 -54.06 . . 0 "[ . 1 .]" 88 . 1 50 ILE C 1 51 PRO N 1 51 PRO CA 1 51 PRO C -80.00 -30.34 -46.57 -45.85 -47.66 . . 0 "[ . 1 .]" 89 . 1 51 PRO N 1 51 PRO CA 1 51 PRO C 1 52 VAL N -60.00 -10.24 -42.37 -51.96 -31.95 . . 0 "[ . 1 .]" 90 . 1 51 PRO C 1 52 VAL N 1 52 VAL CA 1 52 VAL C -90.00 -39.98 -64.64 -65.18 -66.70 . . 0 "[ . 1 .]" 91 . 1 52 VAL N 1 52 VAL CA 1 52 VAL C 1 53 LYS N -70.00 -19.94 -41.04 -41.02 -42.96 . . 0 "[ . 1 .]" 92 . 1 52 VAL C 1 53 LYS N 1 53 LYS CA 1 53 LYS C -80.00 -45.98 -67.62 -73.16 -60.24 . . 0 "[ . 1 .]" 93 . 1 53 LYS N 1 53 LYS CA 1 53 LYS C 1 54 LYS N -70.00 -17.38 -41.39 -54.79 -26.21 . . 0 "[ . 1 .]" 94 . 1 53 LYS C 1 54 LYS N 1 54 LYS CA 1 54 LYS C -80.00 -42.56 -62.46 -53.74 -56.54 . . 0 "[ . 1 .]" 95 . 1 54 LYS N 1 54 LYS CA 1 54 LYS C 1 55 ARG N -70.00 -18.32 -50.75 -60.29 -28.49 . . 0 "[ . 1 .]" 96 . 1 54 LYS C 1 55 ARG N 1 55 ARG CA 1 55 ARG C -80.00 -47.80 -63.31 -62.78 -65.45 . . 0 "[ . 1 .]" 97 . 1 55 ARG N 1 55 ARG CA 1 55 ARG C 1 56 MET N -70.00 -19.62 -35.52 -44.65 -27.98 . . 0 "[ . 1 .]" 98 . 1 55 ARG C 1 56 MET N 1 56 MET CA 1 56 MET C -90.00 -38.72 -71.05 -70.26 -71.21 . . 0 "[ . 1 .]" 99 . 1 56 MET N 1 56 MET CA 1 56 MET C 1 57 ALA N -70.00 -18.16 -31.43 -27.21 -29.95 . . 0 "[ . 1 .]" 100 . 1 56 MET C 1 57 ALA N 1 57 ALA CA 1 57 ALA C -90.00 -39.84 -63.77 -69.44 -59.47 . . 0 "[ . 1 .]" 101 . 1 57 ALA N 1 57 ALA CA 1 57 ALA C 1 58 LEU N -70.00 -19.10 -27.04 -33.04 -21.57 . . 0 "[ . 1 .]" 102 . 1 57 ALA C 1 58 LEU N 1 58 LEU CA 1 58 LEU C -80.00 -49.76 -69.02 -77.97 -63.46 . . 0 "[ . 1 .]" 103 . 1 58 LEU N 1 58 LEU CA 1 58 LEU C 1 59 LEU N -70.00 -17.14 -35.10 -36.61 -38.15 . . 0 "[ . 1 .]" 104 . 1 58 LEU C 1 59 LEU N 1 59 LEU CA 1 59 LEU C -80.00 -37.34 -61.22 -75.70 -56.85 . . 0 "[ . 1 .]" 105 . 1 59 LEU N 1 59 LEU CA 1 59 LEU C 1 60 VAL N -70.00 -19.80 -39.36 -37.29 -38.06 . . 0 "[ . 1 .]" 106 . 1 59 LEU C 1 60 VAL N 1 60 VAL CA 1 60 VAL C -90.00 -39.96 -60.63 -58.72 -61.10 . . 0 "[ . 1 .]" 107 . 1 60 VAL N 1 60 VAL CA 1 60 VAL C 1 61 GLN N -60.00 -26.86 -33.38 -39.62 -26.70 0.16 10 0 "[ . 1 .]" 108 . 1 60 VAL C 1 61 GLN N 1 61 GLN CA 1 61 GLN C -80.00 -46.68 -70.66 -71.73 -74.79 . . 0 "[ . 1 .]" 109 . 1 61 GLN N 1 61 GLN CA 1 61 GLN C 1 62 GLU N -70.00 -19.54 -36.45 -31.90 -35.64 . . 0 "[ . 1 .]" 110 . 1 61 GLN C 1 62 GLU N 1 62 GLU CA 1 62 GLU C -90.00 -37.20 -84.55 -88.15 -88.61 0.90 6 0 "[ . 1 .]" 111 . 1 62 GLU N 1 62 GLU CA 1 62 GLU C 1 63 LEU N -70.00 -15.14 -24.94 -39.33 -13.74 1.40 6 0 "[ . 1 .]" 112 . 1 62 GLU C 1 63 LEU N 1 63 LEU CA 1 63 LEU C -90.00 -36.72 -66.02 -65.87 -67.34 . . 0 "[ . 1 .]" 113 . 1 63 LEU N 1 63 LEU CA 1 63 LEU C 1 64 SER N -70.00 -14.26 -21.84 -30.87 -16.49 . . 0 "[ . 1 .]" 114 . 1 63 LEU C 1 64 SER N 1 64 SER CA 1 64 SER C -90.00 -23.60 -82.89 -90.44 -66.55 0.44 5 0 "[ . 1 .]" 115 . 1 64 SER N 1 64 SER CA 1 64 SER C 1 65 SER N -70.00 0.54 -10.37 -7.10 -10.48 . . 0 "[ . 1 .]" 116 . 1 64 SER C 1 65 SER N 1 65 SER CA 1 65 SER C -120.00 -49.28 -119.36 -120.73 -121.04 1.20 3 0 "[ . 1 .]" 117 . 1 65 SER C 1 66 HIS N 1 66 HIS CA 1 66 HIS C -100.00 -29.46 -92.50 -100.86 -81.98 0.86 8 0 "[ . 1 .]" 118 . 1 66 HIS C 1 67 ARG N 1 67 ARG CA 1 67 ARG C -100.00 -37.84 -94.96 -89.21 -93.14 0.56 3 0 "[ . 1 .]" 119 . 1 67 ARG C 1 68 TRP N 1 68 TRP CA 1 68 TRP C -80.00 -31.30 -69.95 -67.56 -69.67 . . 0 "[ . 1 .]" 120 . 1 68 TRP N 1 68 TRP CA 1 68 TRP C 1 69 ASP N -70.00 -18.84 -32.17 -33.50 -35.04 . . 0 "[ . 1 .]" 121 . 1 68 TRP C 1 69 ASP N 1 69 ASP CA 1 69 ASP C -90.00 -30.38 -69.21 -75.23 -63.16 . . 0 "[ . 1 .]" 122 . 1 69 ASP N 1 69 ASP CA 1 69 ASP C 1 70 ALA N -70.00 -17.38 -34.84 -41.67 -23.55 . . 0 "[ . 1 .]" 123 . 1 69 ASP C 1 70 ALA N 1 70 ALA CA 1 70 ALA C -90.00 -39.26 -76.48 -88.19 -68.23 . . 0 "[ . 1 .]" 124 . 1 70 ALA N 1 70 ALA CA 1 70 ALA C 1 71 ALA N -70.00 -10.98 -27.06 -21.75 -27.15 . . 0 "[ . 1 .]" 125 . 1 70 ALA C 1 71 ALA N 1 71 ALA CA 1 71 ALA C -90.00 -39.88 -68.20 -74.27 -62.83 . . 0 "[ . 1 .]" 126 . 1 71 ALA N 1 71 ALA CA 1 71 ALA C 1 72 ASP N -70.00 -19.58 -25.48 -31.90 -19.69 . . 0 "[ . 1 .]" 127 . 1 71 ALA C 1 72 ASP N 1 72 ASP CA 1 72 ASP C -80.00 -48.32 -79.13 -82.23 -73.08 2.23 4 0 "[ . 1 .]" 128 . 1 72 ASP N 1 72 ASP CA 1 72 ASP C 1 73 ASP N -60.00 -11.56 -29.12 -27.92 -28.31 1.79 6 0 "[ . 1 .]" 129 . 1 72 ASP C 1 73 ASP N 1 73 ASP CA 1 73 ASP C -90.00 -40.76 -62.42 -61.09 -61.77 . . 0 "[ . 1 .]" 130 . 1 73 ASP N 1 73 ASP CA 1 73 ASP C 1 74 ILE N -70.00 -19.38 -41.22 -39.96 -42.16 . . 0 "[ . 1 .]" 131 . 1 73 ASP C 1 74 ILE N 1 74 ILE CA 1 74 ILE C -80.00 -49.46 -64.28 -68.57 -59.29 . . 0 "[ . 1 .]" 132 . 1 74 ILE N 1 74 ILE CA 1 74 ILE C 1 75 HIS N -70.00 -19.64 -20.92 -23.19 -25.80 1.06 4 0 "[ . 1 .]" 133 . 1 74 ILE C 1 75 HIS N 1 75 HIS CA 1 75 HIS C -90.00 -36.50 -67.92 -73.74 -64.32 . . 0 "[ . 1 .]" 134 . 1 75 HIS N 1 75 HIS CA 1 75 HIS C 1 76 ARG N -70.00 -18.20 -39.17 -55.87 -26.57 . . 0 "[ . 1 .]" 135 . 1 75 HIS C 1 76 ARG N 1 76 ARG CA 1 76 ARG C -80.00 -44.18 -60.92 -63.83 -64.22 . . 0 "[ . 1 .]" 136 . 1 76 ARG N 1 76 ARG CA 1 76 ARG C 1 77 SER N -70.00 -19.52 -34.60 -36.21 -38.08 . . 0 "[ . 1 .]" 137 . 1 76 ARG C 1 77 SER N 1 77 SER CA 1 77 SER C -80.00 -49.60 -73.46 -81.78 -63.44 1.78 13 0 "[ . 1 .]" 138 . 1 77 SER N 1 77 SER CA 1 77 SER C 1 78 LEU N -70.00 -18.78 -41.64 -47.43 -36.72 . . 0 "[ . 1 .]" 139 . 1 77 SER C 1 78 LEU N 1 78 LEU CA 1 78 LEU C -80.00 -48.74 -77.64 -81.60 -71.60 1.60 4 0 "[ . 1 .]" 140 . 1 78 LEU N 1 78 LEU CA 1 78 LEU C 1 79 MET N -70.00 -19.74 -35.67 -32.40 -35.45 . . 0 "[ . 1 .]" 141 . 1 78 LEU C 1 79 MET N 1 79 MET CA 1 79 MET C -80.00 -37.36 -63.55 -70.59 -58.65 . . 0 "[ . 1 .]" 142 . 1 79 MET N 1 79 MET CA 1 79 MET C 1 80 VAL N -70.00 -17.76 -32.87 -44.79 -17.63 0.13 7 0 "[ . 1 .]" 143 . 1 79 MET C 1 80 VAL N 1 80 VAL CA 1 80 VAL C -90.00 -39.62 -85.09 -89.52 -90.11 1.25 12 0 "[ . 1 .]" 144 . 1 89 TRP N 1 89 TRP CA 1 89 TRP C 1 90 MET N -70.00 -0.80 -7.46 -5.43 -8.07 1.68 13 0 "[ . 1 .]" 145 . 1 89 TRP C 1 90 MET N 1 90 MET CA 1 90 MET C -90.00 -22.80 -62.35 -55.59 -59.57 . . 0 "[ . 1 .]" 146 . 1 90 MET N 1 90 MET CA 1 90 MET C 1 91 VAL N -70.00 2.12 -29.19 -58.44 -18.50 . . 0 "[ . 1 .]" 147 . 1 90 MET C 1 91 VAL N 1 91 VAL CA 1 91 VAL C -90.00 -43.86 -68.80 -82.21 -58.47 . . 0 "[ . 1 .]" 148 . 1 91 VAL N 1 91 VAL CA 1 91 VAL C 1 92 GLY N -70.00 -25.10 -38.55 -36.73 -39.02 . . 0 "[ . 1 .]" 149 . 1 91 VAL C 1 92 GLY N 1 92 GLY CA 1 92 GLY C -90.00 -38.52 -67.27 -69.18 -74.36 . . 0 "[ . 1 .]" 150 . 1 92 GLY N 1 92 GLY CA 1 92 GLY C 1 93 VAL N -70.00 -1.98 -38.75 -48.29 -28.18 . . 0 "[ . 1 .]" 151 . 1 92 GLY C 1 93 VAL N 1 93 VAL CA 1 93 VAL C -90.00 -35.08 -64.56 -63.25 -64.22 . . 0 "[ . 1 .]" 152 . 1 93 VAL N 1 93 VAL CA 1 93 VAL C 1 94 LYS N -70.00 -13.12 -40.19 -40.25 -42.27 . . 0 "[ . 1 .]" 153 . 1 93 VAL C 1 94 LYS N 1 94 LYS CA 1 94 LYS C -90.00 -38.26 -68.29 -67.15 -68.26 . . 0 "[ . 1 .]" 154 . 1 94 LYS N 1 94 LYS CA 1 94 LYS C 1 95 ARG N -70.00 -7.52 -32.16 -26.67 -29.04 . . 0 "[ . 1 .]" 155 . 1 94 LYS C 1 95 ARG N 1 95 ARG CA 1 95 ARG C -80.00 -49.52 -67.87 -64.02 -64.59 0.85 10 0 "[ . 1 .]" 156 . 1 95 ARG N 1 95 ARG CA 1 95 ARG C 1 96 LEU N -70.00 -19.82 -36.13 -35.90 -37.25 . . 0 "[ . 1 .]" 157 . 1 95 ARG C 1 96 LEU N 1 96 LEU CA 1 96 LEU C -90.00 -39.44 -60.06 -80.84 -50.70 . . 0 "[ . 1 .]" 158 . 1 96 LEU N 1 96 LEU CA 1 96 LEU C 1 97 ILE N -70.00 -17.96 -45.95 -40.53 -42.26 . . 0 "[ . 1 .]" 159 . 1 96 LEU C 1 97 ILE N 1 97 ILE CA 1 97 ILE C -80.00 -44.72 -65.94 -80.85 -60.11 0.85 9 0 "[ . 1 .]" 160 . 1 97 ILE N 1 97 ILE CA 1 97 ILE C 1 98 ALA N -70.00 -17.92 -40.35 -43.15 -44.90 . . 0 "[ . 1 .]" 161 . 1 97 ILE C 1 98 ALA N 1 98 ALA CA 1 98 ALA C -90.00 -22.82 -62.15 -63.40 -64.36 . . 0 "[ . 1 .]" 162 . 1 98 ALA N 1 98 ALA CA 1 98 ALA C 1 99 GLU N -70.00 -19.46 -37.20 -35.94 -37.40 . . 0 "[ . 1 .]" 163 . 1 98 ALA C 1 99 GLU N 1 99 GLU CA 1 99 GLU C -90.00 -39.86 -76.10 -76.47 -77.09 . . 0 "[ . 1 .]" 164 . 1 99 GLU N 1 99 GLU CA 1 99 GLU C 1 100 LYS N -70.00 -19.80 -34.81 -54.01 -19.72 0.08 10 0 "[ . 1 .]" 165 . 1 99 GLU C 1 100 LYS N 1 100 LYS CA 1 100 LYS C -80.00 -49.60 -62.15 -66.16 -67.44 . . 0 "[ . 1 .]" 166 . 1 100 LYS N 1 100 LYS CA 1 100 LYS C 1 101 ARG N -70.00 -12.04 -32.52 -52.34 -20.73 . . 0 "[ . 1 .]" 167 . 1 100 LYS C 1 101 ARG N 1 101 ARG CA 1 101 ARG C -80.00 -49.24 -59.26 -66.16 -53.25 . . 0 "[ . 1 .]" 168 . 1 101 ARG N 1 101 ARG CA 1 101 ARG C 1 102 SER N -70.00 -19.82 -37.78 -34.26 -36.09 . . 0 "[ . 1 .]" 169 . 1 101 ARG C 1 102 SER N 1 102 SER CA 1 102 SER C -90.00 -38.62 -78.14 -91.08 -66.89 1.08 5 0 "[ . 1 .]" 170 . 1 102 SER N 1 102 SER CA 1 102 SER C 1 103 LEU N -70.00 -17.44 -22.58 -54.54 -16.51 0.93 7 0 "[ . 1 .]" 171 . 1 102 SER C 1 103 LEU N 1 103 LEU CA 1 103 LEU C -80.00 -47.68 -76.92 -81.91 -69.65 1.91 11 0 "[ . 1 .]" 172 . 1 103 LEU N 1 103 LEU CA 1 103 LEU C 1 104 PHE N -70.00 -18.04 -24.09 -17.82 -21.37 0.79 9 0 "[ . 1 .]" 173 . 1 103 LEU C 1 104 PHE N 1 104 PHE CA 1 104 PHE C -100.00 -49.94 -65.14 -53.44 -61.29 . . 0 "[ . 1 .]" 174 . 1 104 PHE N 1 104 PHE CA 1 104 PHE C 1 105 SER N -70.00 1.10 -22.29 -40.71 -3.73 . . 0 "[ . 1 .]" 175 . 1 104 PHE C 1 105 SER N 1 105 SER CA 1 105 SER C -110.00 -38.10 -81.79 -76.24 -83.39 . . 0 "[ . 1 .]" 176 . 1 105 SER N 1 105 SER CA 1 105 SER C 1 106 GLU N -70.00 9.10 -12.82 -50.54 11.45 2.35 15 0 "[ . 1 .]" 177 . 1 106 GLU C 1 107 GLU N 1 107 GLU CA 1 107 GLU C -90.00 -21.14 -81.33 -71.18 -76.30 1.78 1 0 "[ . 1 .]" stop_ save_
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