NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
481053 | 1hum | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_1hum save_dihedral_constraint_statistics_1 _TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics _TA_constraint_stats_list.Constraint_count 130 _TA_constraint_stats_list.Viol_count 25 _TA_constraint_stats_list.Viol_total 22.79 _TA_constraint_stats_list.Viol_max 2.53 _TA_constraint_stats_list.Viol_rms 0.48 _TA_constraint_stats_list.Viol_average_all_restraints 0.18 _TA_constraint_stats_list.Viol_average_violations_only 0.91 _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 25 VAL N 1 25 VAL CA 1 25 VAL CB 1 25 VAL CG1 160.00 -160.00 -174.64 -174.64 -174.64 . . 0 "[ ]" 2 . 1 40 VAL N 1 40 VAL CA 1 40 VAL CB 1 40 VAL CG1 160.00 -160.00 163.76 163.76 163.76 . . 0 "[ ]" 3 . 1 41 VAL N 1 41 VAL CA 1 41 VAL CB 1 41 VAL CG1 160.00 -160.00 -159.64 -159.64 -159.64 0.36 1 0 "[ ]" 4 . 1 50 VAL N 1 50 VAL CA 1 50 VAL CB 1 50 VAL CG1 160.00 -160.00 -168.81 -168.81 -168.81 . . 0 "[ ]" 5 . 1 59 VAL N 1 59 VAL CA 1 59 VAL CB 1 59 VAL CG1 160.00 -160.00 177.85 177.85 177.85 . . 0 "[ ]" 6 . 1 63 VAL N 1 63 VAL CA 1 63 VAL CB 1 63 VAL CG1 160.00 -160.00 166.18 166.18 166.18 . . 0 "[ ]" 7 . 1 9 THR N 1 9 THR CA 1 9 THR CB 1 9 THR OG1 -80.00 -40.00 -47.05 -47.05 -47.05 . . 0 "[ ]" 8 . 1 16 THR N 1 16 THR CA 1 16 THR CB 1 16 THR OG1 160.00 -160.00 176.64 176.64 176.64 . . 0 "[ ]" 9 . 1 31 THR N 1 31 THR CA 1 31 THR CB 1 31 THR OG1 40.00 80.00 49.08 49.08 49.08 . . 0 "[ ]" 10 . 1 44 THR N 1 44 THR CA 1 44 THR CB 1 44 THR OG1 40.00 80.00 81.77 81.77 81.77 1.77 1 0 "[ ]" 11 . 2 9 THR N 2 9 THR CA 2 9 THR CB 2 9 THR OG1 -80.00 -40.00 -47.04 -47.04 -47.04 . . 0 "[ ]" 12 . 2 16 THR N 2 16 THR CA 2 16 THR CB 2 16 THR OG1 160.00 -160.00 176.69 176.69 176.69 . . 0 "[ ]" 13 . 2 31 THR N 2 31 THR CA 2 31 THR CB 2 31 THR OG1 40.00 80.00 49.17 49.17 49.17 . . 0 "[ ]" 14 . 2 44 THR N 2 44 THR CA 2 44 THR CB 2 44 THR OG1 40.00 80.00 81.76 81.76 81.76 1.76 1 0 "[ ]" 15 . 1 13 PHE CA 1 13 PHE CB 1 13 PHE CG 1 13 PHE CD1 60.00 120.00 101.71 101.71 101.71 . . 0 "[ ]" 16 . 1 15 TYR CA 1 15 TYR CB 1 15 TYR CG 1 15 TYR CD1 60.00 120.00 88.93 88.93 88.93 . . 0 "[ ]" 17 . 1 24 PHE CA 1 24 PHE CB 1 24 PHE CG 1 24 PHE CD1 60.00 120.00 59.92 59.92 59.92 0.08 1 0 "[ ]" 18 . 1 28 TYR CA 1 28 TYR CB 1 28 TYR CG 1 28 TYR CD1 60.00 120.00 117.82 117.82 117.82 . . 0 "[ ]" 19 . 1 29 TYR CA 1 29 TYR CB 1 29 TYR CG 1 29 TYR CD1 45.00 105.00 67.14 67.14 67.14 . . 0 "[ ]" 20 . 1 42 PHE CA 1 42 PHE CB 1 42 PHE CG 1 42 PHE CD1 60.00 120.00 117.10 117.10 117.10 . . 0 "[ ]" 21 . 1 58 TRP CA 1 58 TRP CB 1 58 TRP CG 1 58 TRP CD1 -120.00 -60.00 -107.81 -107.81 -107.81 . . 0 "[ ]" 22 . 1 62 TYR CA 1 62 TYR CB 1 62 TYR CG 1 62 TYR CD1 50.00 130.00 49.98 49.98 49.98 0.02 1 0 "[ ]" 23 . 1 64 TYR CA 1 64 TYR CB 1 64 TYR CG 1 64 TYR CD1 60.00 120.00 71.75 71.75 71.75 . . 0 "[ ]" 24 . 2 13 PHE CA 2 13 PHE CB 2 13 PHE CG 2 13 PHE CD1 60.00 120.00 101.71 101.71 101.71 . . 0 "[ ]" 25 . 2 15 TYR CA 2 15 TYR CB 2 15 TYR CG 2 15 TYR CD1 60.00 120.00 89.06 89.06 89.06 . . 0 "[ ]" 26 . 2 24 PHE CA 2 24 PHE CB 2 24 PHE CG 2 24 PHE CD1 60.00 120.00 59.94 59.94 59.94 0.06 1 0 "[ ]" 27 . 2 28 TYR CA 2 28 TYR CB 2 28 TYR CG 2 28 TYR CD1 60.00 120.00 117.78 117.78 117.78 . . 0 "[ ]" 28 . 2 29 TYR CA 2 29 TYR CB 2 29 TYR CG 2 29 TYR CD1 45.00 105.00 67.17 67.17 67.17 . . 0 "[ ]" 29 . 2 42 PHE CA 2 42 PHE CB 2 42 PHE CG 2 42 PHE CD1 60.00 120.00 117.16 117.16 117.16 . . 0 "[ ]" 30 . 2 58 TRP CA 2 58 TRP CB 2 58 TRP CG 2 58 TRP CD1 -120.00 -60.00 -107.83 -107.83 -107.83 . . 0 "[ ]" 31 . 2 62 TYR CA 2 62 TYR CB 2 62 TYR CG 2 62 TYR CD1 50.00 130.00 50.07 50.07 50.07 . . 0 "[ ]" 32 . 2 64 TYR CA 2 64 TYR CB 2 64 TYR CG 2 64 TYR CD1 60.00 120.00 71.82 71.82 71.82 . . 0 "[ ]" 33 . 2 25 VAL N 2 25 VAL CA 2 25 VAL CB 2 25 VAL CG1 160.00 -160.00 -174.62 -174.62 -174.62 . . 0 "[ ]" 34 . 2 40 VAL N 2 40 VAL CA 2 40 VAL CB 2 40 VAL CG1 160.00 -160.00 163.72 163.72 163.72 . . 0 "[ ]" 35 . 2 41 VAL N 2 41 VAL CA 2 41 VAL CB 2 41 VAL CG1 160.00 -160.00 -159.66 -159.66 -159.66 0.34 1 0 "[ ]" 36 . 2 50 VAL N 2 50 VAL CA 2 50 VAL CB 2 50 VAL CG1 160.00 -160.00 -168.87 -168.87 -168.87 . . 0 "[ ]" 37 . 2 59 VAL N 2 59 VAL CA 2 59 VAL CB 2 59 VAL CG1 160.00 -160.00 177.89 177.89 177.89 . . 0 "[ ]" 38 . 2 63 VAL N 2 63 VAL CA 2 63 VAL CB 2 63 VAL CG1 160.00 -160.00 166.17 166.17 166.17 . . 0 "[ ]" 39 . 1 13 PHE N 1 13 PHE CA 1 13 PHE CB 1 13 PHE CG 40.00 80.00 65.77 65.77 65.77 . . 0 "[ ]" 40 . 1 15 TYR N 1 15 TYR CA 1 15 TYR CB 1 15 TYR CG -80.00 -40.00 -39.47 -39.47 -39.47 0.53 1 0 "[ ]" 41 . 1 24 PHE N 1 24 PHE CA 1 24 PHE CB 1 24 PHE CG 160.00 -160.00 -158.26 -158.26 -158.26 1.74 1 0 "[ ]" 42 . 1 28 TYR N 1 28 TYR CA 1 28 TYR CB 1 28 TYR CG 40.00 80.00 74.22 74.22 74.22 . . 0 "[ ]" 43 . 1 29 TYR N 1 29 TYR CA 1 29 TYR CB 1 29 TYR CG 160.00 -160.00 160.16 160.16 160.16 . . 0 "[ ]" 44 . 1 42 PHE N 1 42 PHE CA 1 42 PHE CB 1 42 PHE CG -80.00 -40.00 -74.59 -74.59 -74.59 . . 0 "[ ]" 45 . 1 58 TRP N 1 58 TRP CA 1 58 TRP CB 1 58 TRP CG 40.00 80.00 77.79 77.79 77.79 . . 0 "[ ]" 46 . 1 62 TYR N 1 62 TYR CA 1 62 TYR CB 1 62 TYR CG -80.00 -40.00 -82.50 -82.50 -82.50 2.50 1 0 "[ ]" 47 . 1 64 TYR N 1 64 TYR CA 1 64 TYR CB 1 64 TYR CG 160.00 -160.00 -160.81 -160.81 -160.81 . . 0 "[ ]" 48 . 2 13 PHE N 2 13 PHE CA 2 13 PHE CB 2 13 PHE CG 40.00 80.00 65.84 65.84 65.84 . . 0 "[ ]" 49 . 2 15 TYR N 2 15 TYR CA 2 15 TYR CB 2 15 TYR CG -80.00 -40.00 -39.55 -39.55 -39.55 0.45 1 0 "[ ]" 50 . 2 24 PHE N 2 24 PHE CA 2 24 PHE CB 2 24 PHE CG 160.00 -160.00 -158.31 -158.31 -158.31 1.69 1 0 "[ ]" 51 . 2 28 TYR N 2 28 TYR CA 2 28 TYR CB 2 28 TYR CG 40.00 80.00 74.27 74.27 74.27 . . 0 "[ ]" 52 . 2 29 TYR N 2 29 TYR CA 2 29 TYR CB 2 29 TYR CG 160.00 -160.00 160.12 160.12 160.12 . . 0 "[ ]" 53 . 2 42 PHE N 2 42 PHE CA 2 42 PHE CB 2 42 PHE CG -80.00 -40.00 -74.55 -74.55 -74.55 . . 0 "[ ]" 54 . 2 58 TRP N 2 58 TRP CA 2 58 TRP CB 2 58 TRP CG 40.00 80.00 77.80 77.80 77.80 . . 0 "[ ]" 55 . 2 62 TYR N 2 62 TYR CA 2 62 TYR CB 2 62 TYR CG -80.00 -40.00 -82.53 -82.53 -82.53 2.53 1 0 "[ ]" 56 . 2 64 TYR N 2 64 TYR CA 2 64 TYR CB 2 64 TYR CG 160.00 -160.00 -160.81 -160.81 -160.81 . . 0 "[ ]" 57 . 1 14 SER N 1 14 SER CA 1 14 SER CB 1 14 SER OG 40.00 80.00 59.35 59.35 59.35 . . 0 "[ ]" 58 . 1 33 SER N 1 33 SER CA 1 33 SER CB 1 33 SER OG 40.00 80.00 81.03 81.03 81.03 1.03 1 0 "[ ]" 59 . 2 14 SER N 2 14 SER CA 2 14 SER CB 2 14 SER OG 40.00 80.00 59.39 59.39 59.39 . . 0 "[ ]" 60 . 2 33 SER N 2 33 SER CA 2 33 SER CB 2 33 SER OG 40.00 80.00 81.00 81.00 81.00 1.00 1 0 "[ ]" 61 . 1 18 ARG N 1 18 ARG CA 1 18 ARG CB 1 18 ARG CG -80.00 -40.00 -74.26 -74.26 -74.26 . . 0 "[ ]" 62 . 1 19 LYS N 1 19 LYS CA 1 19 LYS CB 1 19 LYS CG 160.00 -160.00 178.90 178.90 178.90 . . 0 "[ ]" 63 . 1 27 ASP N 1 27 ASP CA 1 27 ASP CB 1 27 ASP CG 160.00 -160.00 -166.09 -166.09 -166.09 . . 0 "[ ]" 64 . 1 30 GLU N 1 30 GLU CA 1 30 GLU CB 1 30 GLU CG -80.00 -40.00 -76.52 -76.52 -76.52 . . 0 "[ ]" 65 . 1 43 GLN N 1 43 GLN CA 1 43 GLN CB 1 43 GLN CG -80.00 -40.00 -65.44 -65.44 -65.44 . . 0 "[ ]" 66 . 1 45 LYS N 1 45 LYS CA 1 45 LYS CB 1 45 LYS CG -80.00 -40.00 -45.45 -45.45 -45.45 . . 0 "[ ]" 67 . 1 46 ARG N 1 46 ARG CA 1 46 ARG CB 1 46 ARG CG 160.00 -160.00 -159.93 -159.93 -159.93 0.07 1 0 "[ ]" 68 . 1 56 GLU N 1 56 GLU CA 1 56 GLU CB 1 56 GLU CG -80.00 -40.00 -71.16 -71.16 -71.16 . . 0 "[ ]" 69 . 1 61 GLU N 1 61 GLU CA 1 61 GLU CB 1 61 GLU CG 160.00 -160.00 -172.35 -172.35 -172.35 . . 0 "[ ]" 70 . 1 65 ASP N 1 65 ASP CA 1 65 ASP CB 1 65 ASP CG -80.00 -40.00 -77.73 -77.73 -77.73 . . 0 "[ ]" 71 . 1 65 ASP N 1 65 ASP CA 1 65 ASP CB 1 65 ASP CG -80.00 -40.00 -77.73 -77.73 -77.73 . . 0 "[ ]" 72 . 1 66 LEU N 1 66 LEU CA 1 66 LEU CB 1 66 LEU CG -80.00 -40.00 -80.68 -80.68 -80.68 0.68 1 0 "[ ]" 73 . 1 66 LEU N 1 66 LEU CA 1 66 LEU CB 1 66 LEU CG -80.00 -40.00 -80.68 -80.68 -80.68 0.68 1 0 "[ ]" 74 . 1 67 GLU N 1 67 GLU CA 1 67 GLU CB 1 67 GLU CG -80.00 -40.00 -66.50 -66.50 -66.50 . . 0 "[ ]" 75 . 2 18 ARG N 2 18 ARG CA 2 18 ARG CB 2 18 ARG CG -80.00 -40.00 -74.28 -74.28 -74.28 . . 0 "[ ]" 76 . 2 19 LYS N 2 19 LYS CA 2 19 LYS CB 2 19 LYS CG 160.00 -160.00 178.86 178.86 178.86 . . 0 "[ ]" 77 . 2 27 ASP N 2 27 ASP CA 2 27 ASP CB 2 27 ASP CG 160.00 -160.00 -166.11 -166.11 -166.11 . . 0 "[ ]" 78 . 2 30 GLU N 2 30 GLU CA 2 30 GLU CB 2 30 GLU CG -80.00 -40.00 -76.57 -76.57 -76.57 . . 0 "[ ]" 79 . 2 43 GLN N 2 43 GLN CA 2 43 GLN CB 2 43 GLN CG -80.00 -40.00 -65.45 -65.45 -65.45 . . 0 "[ ]" 80 . 2 45 LYS N 2 45 LYS CA 2 45 LYS CB 2 45 LYS CG -80.00 -40.00 -45.55 -45.55 -45.55 . . 0 "[ ]" 81 . 2 46 ARG N 2 46 ARG CA 2 46 ARG CB 2 46 ARG CG 160.00 -160.00 -159.94 -159.94 -159.94 0.06 1 0 "[ ]" 82 . 2 56 GLU N 2 56 GLU CA 2 56 GLU CB 2 56 GLU CG -80.00 -40.00 -71.18 -71.18 -71.18 . . 0 "[ ]" 83 . 2 61 GLU N 2 61 GLU CA 2 61 GLU CB 2 61 GLU CG 160.00 -160.00 -172.37 -172.37 -172.37 . . 0 "[ ]" 84 . 2 66 LEU N 2 66 LEU CA 2 66 LEU CB 2 66 LEU CG -80.00 -40.00 -80.66 -80.66 -80.66 0.66 1 0 "[ ]" 85 . 2 66 LEU N 2 66 LEU CA 2 66 LEU CB 2 66 LEU CG -80.00 -40.00 -80.66 -80.66 -80.66 0.66 1 0 "[ ]" 86 . 2 67 GLU N 2 67 GLU CA 2 67 GLU CB 2 67 GLU CG -80.00 -40.00 -66.59 -66.59 -66.59 . . 0 "[ ]" 87 . 1 20 LEU N 1 20 LEU CA 1 20 LEU CB 1 20 LEU CG -80.00 -40.00 -42.81 -42.81 -42.81 . . 0 "[ ]" 88 . 1 34 LEU N 1 34 LEU CA 1 34 LEU CB 1 34 LEU CG -80.00 -40.00 -44.34 -44.34 -44.34 . . 0 "[ ]" 89 . 1 68 LEU N 1 68 LEU CA 1 68 LEU CB 1 68 LEU CG -80.00 -40.00 -57.15 -57.15 -57.15 . . 0 "[ ]" 90 . 2 20 LEU N 2 20 LEU CA 2 20 LEU CB 2 20 LEU CG -80.00 -40.00 -42.75 -42.75 -42.75 . . 0 "[ ]" 91 . 2 34 LEU N 2 34 LEU CA 2 34 LEU CB 2 34 LEU CG -80.00 -40.00 -44.33 -44.33 -44.33 . . 0 "[ ]" 92 . 2 68 LEU N 2 68 LEU CA 2 68 LEU CB 2 68 LEU CG -80.00 -40.00 -57.16 -57.16 -57.16 . . 0 "[ ]" 93 . 1 20 LEU CA 1 20 LEU CB 1 20 LEU CG 1 20 LEU CD1 160.00 -160.00 177.37 177.37 177.37 . . 0 "[ ]" 94 . 1 34 LEU CA 1 34 LEU CB 1 34 LEU CG 1 34 LEU CD1 160.00 -160.00 -174.46 -174.46 -174.46 . . 0 "[ ]" 95 . 1 66 LEU CA 1 66 LEU CB 1 66 LEU CG 1 66 LEU CD1 160.00 -160.00 158.63 158.63 158.63 1.37 1 0 "[ ]" 96 . 1 68 LEU CA 1 68 LEU CB 1 68 LEU CG 1 68 LEU CD1 160.00 -160.00 167.48 167.48 167.48 . . 0 "[ ]" 97 . 2 20 LEU CA 2 20 LEU CB 2 20 LEU CG 2 20 LEU CD1 160.00 -160.00 177.43 177.43 177.43 . . 0 "[ ]" 98 . 2 34 LEU CA 2 34 LEU CB 2 34 LEU CG 2 34 LEU CD1 160.00 -160.00 -174.47 -174.47 -174.47 . . 0 "[ ]" 99 . 2 66 LEU CA 2 66 LEU CB 2 66 LEU CG 2 66 LEU CD1 160.00 -160.00 158.66 158.66 158.66 1.34 1 0 "[ ]" 100 . 2 68 LEU CA 2 68 LEU CB 2 68 LEU CG 2 68 LEU CD1 160.00 -160.00 167.50 167.50 167.50 . . 0 "[ ]" 101 . 1 11 CYS N 1 11 CYS CA 1 11 CYS CB 1 11 CYS SG -80.00 -40.00 -53.85 -53.85 -53.85 . . 0 "[ ]" 102 . 1 12 CYS N 1 12 CYS CA 1 12 CYS CB 1 12 CYS SG -80.00 -40.00 -63.88 -63.88 -63.88 . . 0 "[ ]" 103 . 1 35 CYS N 1 35 CYS CA 1 35 CYS CB 1 35 CYS SG 40.00 80.00 39.30 39.30 39.30 0.70 1 0 "[ ]" 104 . 1 51 CYS N 1 51 CYS CA 1 51 CYS CB 1 51 CYS SG -80.00 -40.00 -63.15 -63.15 -63.15 . . 0 "[ ]" 105 . 2 11 CYS N 2 11 CYS CA 2 11 CYS CB 2 11 CYS SG -80.00 -40.00 -53.86 -53.86 -53.86 . . 0 "[ ]" 106 . 2 12 CYS N 2 12 CYS CA 2 12 CYS CB 2 12 CYS SG -80.00 -40.00 -63.87 -63.87 -63.87 . . 0 "[ ]" 107 . 2 35 CYS N 2 35 CYS CA 2 35 CYS CB 2 35 CYS SG 40.00 80.00 39.26 39.26 39.26 0.74 1 0 "[ ]" 108 . 2 51 CYS N 2 51 CYS CA 2 51 CYS CB 2 51 CYS SG -80.00 -40.00 -63.11 -63.11 -63.11 . . 0 "[ ]" 109 . 1 12 CYS CA 1 12 CYS CB 1 12 CYS SG 1 51 CYS SG -130.00 -50.00 -103.35 -103.35 -103.35 . . 0 "[ ]" 110 . 1 12 CYS CB 1 12 CYS SG 1 51 CYS SG 1 51 CYS CB -120.00 -60.00 -69.52 -69.52 -69.52 . . 0 "[ ]" 111 . 1 12 CYS SG 1 51 CYS SG 1 51 CYS CB 1 51 CYS CA -130.00 -50.00 -111.10 -111.10 -111.10 . . 0 "[ ]" 112 . 2 12 CYS CA 2 12 CYS CB 2 12 CYS SG 2 51 CYS SG -130.00 -50.00 -103.39 -103.39 -103.39 . . 0 "[ ]" 113 . 2 12 CYS CB 2 12 CYS SG 2 51 CYS SG 2 51 CYS CB -120.00 -60.00 -69.52 -69.52 -69.52 . . 0 "[ ]" 114 . 2 12 CYS SG 2 51 CYS SG 2 51 CYS CB 2 51 CYS CA -130.00 -50.00 -111.07 -111.07 -111.07 . . 0 "[ ]" 115 . 1 11 CYS CA 1 11 CYS CB 1 11 CYS SG 1 35 CYS SG -130.00 -70.00 -118.17 -118.17 -118.17 . . 0 "[ ]" 116 . 1 11 CYS CB 1 11 CYS SG 1 35 CYS SG 1 35 CYS CB -120.00 -60.00 -87.25 -87.25 -87.25 . . 0 "[ ]" 117 . 1 11 CYS SG 1 35 CYS SG 1 35 CYS CB 1 35 CYS CA -180.00 -100.00 -142.33 -142.33 -142.33 . . 0 "[ ]" 118 . 2 11 CYS CA 2 11 CYS CB 2 11 CYS SG 2 35 CYS SG -130.00 -70.00 -118.10 -118.10 -118.10 . . 0 "[ ]" 119 . 2 11 CYS CB 2 11 CYS SG 2 35 CYS SG 2 35 CYS CB -120.00 -60.00 -87.27 -87.27 -87.27 . . 0 "[ ]" 120 . 2 11 CYS SG 2 35 CYS SG 2 35 CYS CB 2 35 CYS CA -180.00 -100.00 -142.29 -142.29 -142.29 . . 0 "[ ]" 121 . 1 2 PRO N 1 2 PRO CA 1 2 PRO C 1 3 MET N 100.00 -160.00 138.42 138.42 138.42 . . 0 "[ ]" 122 . 1 2 PRO N 1 2 PRO CA 1 2 PRO C 1 3 MET N 100.00 -160.00 138.42 138.42 138.42 . . 0 "[ ]" 123 . 1 3 MET N 1 3 MET CA 1 3 MET C 1 4 GLY N 110.00 -150.00 155.42 155.42 155.42 . . 0 "[ ]" 124 . 1 4 GLY N 1 4 GLY CA 1 4 GLY C 1 5 SER N 130.00 -130.00 -178.21 -178.21 -178.21 . . 0 "[ ]" 125 . 1 5 SER N 1 5 SER CA 1 5 SER C 1 6 ASP N -140.00 -40.00 -68.12 -68.12 -68.12 . . 0 "[ ]" 126 . 1 68 LEU N 1 68 LEU CA 1 68 LEU C 1 69 ASN N -120.00 -60.00 -81.16 -81.16 -81.16 . . 0 "[ ]" 127 . 2 3 MET N 2 3 MET CA 2 3 MET C 2 4 GLY N 110.00 -150.00 155.41 155.41 155.41 . . 0 "[ ]" 128 . 2 4 GLY N 2 4 GLY CA 2 4 GLY C 2 5 SER N 130.00 -130.00 -178.21 -178.21 -178.21 . . 0 "[ ]" 129 . 2 5 SER N 2 5 SER CA 2 5 SER C 2 6 ASP N -140.00 -40.00 -68.17 -68.17 -68.17 . . 0 "[ ]" 130 . 2 68 LEU N 2 68 LEU CA 2 68 LEU C 2 69 ASN N -120.00 -60.00 -81.16 -81.16 -81.16 . . 0 "[ ]" stop_ save_
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