NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
394413 | 1r6p | 5975 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_1r6p save_distance_constraint_statistics_1 _TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics _TA_constraint_stats_list.Constraint_count 98 _TA_constraint_stats_list.Viol_count 277 _TA_constraint_stats_list.Viol_total 6785.20 _TA_constraint_stats_list.Viol_max 2.37 _TA_constraint_stats_list.Viol_rms 0.20 _TA_constraint_stats_list.Viol_average_all_restraints 0.04 _TA_constraint_stats_list.Viol_average_violations_only 0.61 _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 2 ASN C 1 3 ASP N 1 3 ASP CA 1 3 ASP C -108.00 -8.00 -92.22 -69.98 -72.20 0.57 25 0 "[ . 1 . 2 . 3 . 4]" 2 . 1 3 ASP C 1 4 ILE N 1 4 ILE CA 1 4 ILE C -95.50 -35.50 -65.52 -64.48 -64.96 . . 0 "[ . 1 . 2 . 3 . 4]" 3 . 1 7 ALA C 1 8 ALA N 1 8 ALA CA 1 8 ALA C -84.50 -44.50 -78.50 -71.30 -72.13 0.98 13 0 "[ . 1 . 2 . 3 . 4]" 4 . 1 9 VAL C 1 10 GLU N 1 10 GLU CA 1 10 GLU C -81.00 -41.00 -81.39 -82.80 -74.20 1.80 32 0 "[ . 1 . 2 . 3 . 4]" 5 . 1 11 GLN C 1 12 LEU N 1 12 LEU CA 1 12 LEU C -82.00 -42.00 -73.48 -61.99 -66.01 0.28 28 0 "[ . 1 . 2 . 3 . 4]" 6 . 1 13 THR C 1 14 ASP N 1 14 ASP CA 1 14 ASP C -71.50 -31.50 -69.38 -71.86 -61.53 0.36 26 0 "[ . 1 . 2 . 3 . 4]" 7 . 1 14 ASP C 1 15 GLU N 1 15 GLU CA 1 15 GLU C -79.00 -39.00 -66.39 -73.45 -56.63 . . 0 "[ . 1 . 2 . 3 . 4]" 8 . 1 15 GLU C 1 16 GLN N 1 16 GLN CA 1 16 GLN C -84.50 -44.50 -67.89 -70.85 -71.35 . . 0 "[ . 1 . 2 . 3 . 4]" 9 . 1 16 GLN C 1 17 LYS N 1 17 LYS CA 1 17 LYS C -78.00 -38.00 -65.02 -56.11 -58.90 . . 0 "[ . 1 . 2 . 3 . 4]" 10 . 1 18 ASN C 1 19 GLU N 1 19 GLU CA 1 19 GLU C -84.50 -44.50 -56.08 -56.22 -56.45 . . 0 "[ . 1 . 2 . 3 . 4]" 11 . 1 20 PHE C 1 21 LYS N 1 21 LYS CA 1 21 LYS C -77.50 -37.50 -54.10 -55.01 -55.89 . . 0 "[ . 1 . 2 . 3 . 4]" 12 . 1 21 LYS C 1 22 ALA N 1 22 ALA CA 1 22 ALA C -79.00 -39.00 -59.49 -62.30 -54.53 . . 0 "[ . 1 . 2 . 3 . 4]" 13 . 1 22 ALA C 1 23 ALA N 1 23 ALA CA 1 23 ALA C -90.00 -50.00 -67.90 -77.83 -64.65 . . 0 "[ . 1 . 2 . 3 . 4]" 14 . 1 28 ILE C 1 29 GLN N 1 29 GLN CA 1 29 GLN C -80.00 -36.00 -60.24 -53.51 -77.28 2.37 11 0 "[ . 1 . 2 . 3 . 4]" 15 . 1 29 GLN C 1 30 ASP N 1 30 ASP CA 1 30 ASP C -160.00 -80.00 -99.41 -116.86 -80.24 . . 0 "[ . 1 . 2 . 3 . 4]" 16 . 1 30 ASP C 1 31 ALA N 1 31 ALA CA 1 31 ALA C -99.00 -39.00 -96.48 -100.06 -52.31 1.06 29 0 "[ . 1 . 2 . 3 . 4]" 17 . 1 32 GLU C 1 33 ASP N 1 33 ASP CA 1 33 ASP C -159.00 -81.00 -134.99 -159.46 -80.79 0.46 13 0 "[ . 1 . 2 . 3 . 4]" 18 . 1 34 GLY C 1 35 CYS N 1 35 CYS CA 1 35 CYS C -160.00 -80.00 -154.22 -156.59 -157.76 0.69 35 0 "[ . 1 . 2 . 3 . 4]" 19 . 1 35 CYS C 1 36 ILE N 1 36 ILE CA 1 36 ILE C -160.00 -80.00 -86.74 -82.74 -84.04 1.75 34 0 "[ . 1 . 2 . 3 . 4]" 20 . 1 36 ILE C 1 37 SER N 1 37 SER CA 1 37 SER C -91.50 -51.50 -90.08 -89.49 -90.88 1.08 29 0 "[ . 1 . 2 . 3 . 4]" 21 . 1 38 THR C 1 39 LYS N 1 39 LYS CA 1 39 LYS C -84.50 -44.50 -63.35 -61.92 -62.17 . . 0 "[ . 1 . 2 . 3 . 4]" 22 . 1 39 LYS C 1 40 GLU N 1 40 GLU CA 1 40 GLU C -160.00 -80.00 -99.86 -96.00 -97.87 . . 0 "[ . 1 . 2 . 3 . 4]" 23 . 1 40 GLU C 1 41 LEU N 1 41 LEU CA 1 41 LEU C -74.00 -33.00 -62.89 -63.68 -68.55 . . 0 "[ . 1 . 2 . 3 . 4]" 24 . 1 42 GLY C 1 43 LYS N 1 43 LYS CA 1 43 LYS C -83.50 -43.50 -69.80 -68.64 -69.32 0.26 28 0 "[ . 1 . 2 . 3 . 4]" 25 . 1 43 LYS C 1 44 VAL N 1 44 VAL CA 1 44 VAL C -92.50 -32.50 -88.67 -93.81 -72.21 1.31 28 0 "[ . 1 . 2 . 3 . 4]" 26 . 1 44 VAL C 1 45 MET N 1 45 MET CA 1 45 MET C -78.00 -38.00 -57.92 -71.78 -49.09 . . 0 "[ . 1 . 2 . 3 . 4]" 27 . 1 45 MET C 1 46 ARG N 1 46 ARG CA 1 46 ARG C -82.00 -42.00 -63.16 -59.14 -59.81 . . 0 "[ . 1 . 2 . 3 . 4]" 28 . 1 46 ARG C 1 47 MET N 1 47 MET CA 1 47 MET C -88.00 -48.00 -74.23 -80.30 -65.91 . . 0 "[ . 1 . 2 . 3 . 4]" 29 . 1 49 GLY C 1 50 GLN N 1 50 GLN CA 1 50 GLN C -158.00 -82.00 -137.25 -158.55 -124.27 0.55 14 0 "[ . 1 . 2 . 3 . 4]" 30 . 1 50 GLN C 1 51 ASN N 1 51 ASN CA 1 51 ASN C -159.00 -81.00 -139.81 -123.66 -124.13 0.37 36 0 "[ . 1 . 2 . 3 . 4]" 31 . 1 54 PRO C 1 55 GLU N 1 55 GLU CA 1 55 GLU C -80.00 -40.00 -80.83 -81.63 -78.89 1.63 36 0 "[ . 1 . 2 . 3 . 4]" 32 . 1 55 GLU C 1 56 GLU N 1 56 GLU CA 1 56 GLU C -86.50 -46.50 -72.88 -76.32 -77.85 . . 0 "[ . 1 . 2 . 3 . 4]" 33 . 1 56 GLU C 1 57 LEU N 1 57 LEU CA 1 57 LEU C -79.00 -39.00 -63.37 -75.89 -55.16 . . 0 "[ . 1 . 2 . 3 . 4]" 34 . 1 57 LEU C 1 58 GLN N 1 58 GLN CA 1 58 GLN C -77.50 -37.50 -64.50 -61.51 -62.04 0.13 25 0 "[ . 1 . 2 . 3 . 4]" 35 . 1 59 GLU C 1 60 MET N 1 60 MET CA 1 60 MET C -82.00 -42.00 -67.74 -77.25 -61.21 . . 0 "[ . 1 . 2 . 3 . 4]" 36 . 1 61 ILE C 1 62 ASP N 1 62 ASP CA 1 62 ASP C -69.50 -29.50 -56.42 -57.72 -58.42 . . 0 "[ . 1 . 2 . 3 . 4]" 37 . 1 65 ASP C 1 66 GLU N 1 66 GLU CA 1 66 GLU C -74.50 -34.50 -64.71 -75.00 -57.46 0.50 26 0 "[ . 1 . 2 . 3 . 4]" 38 . 1 66 GLU C 1 67 ASP N 1 67 ASP CA 1 67 ASP C -160.00 -80.00 -86.50 -86.90 -88.53 1.30 26 0 "[ . 1 . 2 . 3 . 4]" 39 . 1 68 GLY C 1 69 SER N 1 69 SER CA 1 69 SER C -93.00 -53.00 -85.27 -85.69 -86.01 0.43 9 0 "[ . 1 . 2 . 3 . 4]" 40 . 1 71 THR C 1 72 VAL N 1 72 VAL CA 1 72 VAL C -155.00 -85.00 -94.67 -91.32 -92.29 0.27 15 0 "[ . 1 . 2 . 3 . 4]" 41 . 1 72 VAL C 1 73 ASP N 1 73 ASP CA 1 73 ASP C -159.00 -81.00 -83.68 -90.24 -80.56 0.44 36 0 "[ . 1 . 2 . 3 . 4]" 42 . 1 73 ASP C 1 74 PHE N 1 74 PHE CA 1 74 PHE C -64.50 -24.50 -58.85 -59.02 -59.36 . . 0 "[ . 1 . 2 . 3 . 4]" 43 . 1 74 PHE C 1 75 ASP N 1 75 ASP CA 1 75 ASP C -91.50 -51.50 -67.50 -68.24 -68.54 . . 0 "[ . 1 . 2 . 3 . 4]" 44 . 1 75 ASP C 1 76 GLU N 1 76 GLU CA 1 76 GLU C -84.50 -44.50 -72.44 -72.45 -72.59 . . 0 "[ . 1 . 2 . 3 . 4]" 45 . 1 76 GLU C 1 77 PHE N 1 77 PHE CA 1 77 PHE C -77.00 -37.00 -66.55 -66.80 -67.62 . . 0 "[ . 1 . 2 . 3 . 4]" 46 . 1 77 PHE C 1 78 LEU N 1 78 LEU CA 1 78 LEU C -77.00 -37.00 -69.59 -70.64 -70.88 . . 0 "[ . 1 . 2 . 3 . 4]" 47 . 1 79 VAL C 1 80 MET N 1 80 MET CA 1 80 MET C -77.00 -37.00 -46.87 -50.46 -40.33 . . 0 "[ . 1 . 2 . 3 . 4]" 48 . 1 80 MET C 1 81 MET N 1 81 MET CA 1 81 MET C -80.00 -40.00 -65.56 -63.74 -63.89 . . 0 "[ . 1 . 2 . 3 . 4]" 49 . 1 81 MET C 1 82 VAL N 1 82 VAL CA 1 82 VAL C -85.50 -45.50 -66.45 -64.43 -64.56 . . 0 "[ . 1 . 2 . 3 . 4]" 50 . 1 84 CYS C 1 85 MET N 1 85 MET CA 1 85 MET C -92.00 -52.00 -71.37 -63.01 -64.52 . . 0 "[ . 1 . 2 . 3 . 4]" 51 . 1 2 ASN N 1 2 ASN CA 1 2 ASN C 1 3 ASP N 20.00 -140.00 58.73 38.17 34.58 0.42 21 0 "[ . 1 . 2 . 3 . 4]" 52 . 1 3 ASP N 1 3 ASP CA 1 3 ASP C 1 4 ILE N -140.00 80.00 -8.73 -44.69 32.28 . . 0 "[ . 1 . 2 . 3 . 4]" 53 . 1 4 ILE N 1 4 ILE CA 1 4 ILE C 1 5 TYR N -140.00 80.00 -31.25 -35.33 -24.81 . . 0 "[ . 1 . 2 . 3 . 4]" 54 . 1 9 VAL N 1 9 VAL CA 1 9 VAL C 1 10 GLU N -140.00 80.00 -24.67 -30.01 -20.29 . . 0 "[ . 1 . 2 . 3 . 4]" 55 . 1 10 GLU N 1 10 GLU CA 1 10 GLU C 1 11 GLN N -140.00 80.00 -18.70 -20.20 -20.64 . . 0 "[ . 1 . 2 . 3 . 4]" 56 . 1 11 GLN N 1 11 GLN CA 1 11 GLN C 1 12 LEU N -140.00 80.00 20.90 -23.28 33.62 . . 0 "[ . 1 . 2 . 3 . 4]" 57 . 1 13 THR N 1 13 THR CA 1 13 THR C 1 14 ASP N 20.00 -140.00 167.95 166.36 165.94 . . 0 "[ . 1 . 2 . 3 . 4]" 58 . 1 14 ASP N 1 14 ASP CA 1 14 ASP C 1 15 GLU N -140.00 80.00 -31.99 -34.85 -29.50 . . 0 "[ . 1 . 2 . 3 . 4]" 59 . 1 15 GLU N 1 15 GLU CA 1 15 GLU C 1 16 GLN N -140.00 80.00 -33.34 -24.70 -28.66 . . 0 "[ . 1 . 2 . 3 . 4]" 60 . 1 16 GLN N 1 16 GLN CA 1 16 GLN C 1 17 LYS N -140.00 80.00 -44.18 -51.67 -36.35 . . 0 "[ . 1 . 2 . 3 . 4]" 61 . 1 17 LYS N 1 17 LYS CA 1 17 LYS C 1 18 ASN N -140.00 80.00 -37.76 -47.11 -7.00 . . 0 "[ . 1 . 2 . 3 . 4]" 62 . 1 18 ASN N 1 18 ASN CA 1 18 ASN C 1 19 GLU N -140.00 80.00 -30.73 -36.50 -22.99 . . 0 "[ . 1 . 2 . 3 . 4]" 63 . 1 20 PHE N 1 20 PHE CA 1 20 PHE C 1 21 LYS N -140.00 80.00 -43.35 -47.46 -34.33 . . 0 "[ . 1 . 2 . 3 . 4]" 64 . 1 24 PHE N 1 24 PHE CA 1 24 PHE C 1 25 ASP N -140.00 80.00 -44.37 -47.92 -39.47 . . 0 "[ . 1 . 2 . 3 . 4]" 65 . 1 25 ASP N 1 25 ASP CA 1 25 ASP C 1 26 ILE N -140.00 80.00 -40.42 -42.30 -43.14 . . 0 "[ . 1 . 2 . 3 . 4]" 66 . 1 26 ILE N 1 26 ILE CA 1 26 ILE C 1 27 PHE N -140.00 80.00 -38.08 -40.84 -35.40 . . 0 "[ . 1 . 2 . 3 . 4]" 67 . 1 27 PHE N 1 27 PHE CA 1 27 PHE C 1 28 ILE N -140.00 80.00 -34.35 -42.16 -28.38 . . 0 "[ . 1 . 2 . 3 . 4]" 68 . 1 30 ASP N 1 30 ASP CA 1 30 ASP C 1 31 ALA N 0.00 -140.00 16.11 13.79 0.46 1.79 35 0 "[ . 1 . 2 . 3 . 4]" 69 . 1 31 ALA N 1 31 ALA CA 1 31 ALA C 1 32 GLU N 20.00 -140.00 153.22 155.53 154.70 . . 0 "[ . 1 . 2 . 3 . 4]" 70 . 1 32 GLU N 1 32 GLU CA 1 32 GLU C 1 33 ASP N -140.00 80.00 36.17 -25.38 46.00 . . 0 "[ . 1 . 2 . 3 . 4]" 71 . 1 43 LYS N 1 43 LYS CA 1 43 LYS C 1 44 VAL N -140.00 80.00 -24.65 -35.61 -14.74 . . 0 "[ . 1 . 2 . 3 . 4]" 72 . 1 46 ARG N 1 46 ARG CA 1 46 ARG C 1 47 MET N -140.00 80.00 -33.61 -38.45 -28.19 . . 0 "[ . 1 . 2 . 3 . 4]" 73 . 1 50 GLN N 1 50 GLN CA 1 50 GLN C 1 51 ASN N 20.00 -140.00 152.24 143.97 143.07 . . 0 "[ . 1 . 2 . 3 . 4]" 74 . 1 52 PRO N 1 52 PRO CA 1 52 PRO C 1 53 THR N 20.00 -140.00 -160.20 -161.50 -158.67 . . 0 "[ . 1 . 2 . 3 . 4]" 75 . 1 54 PRO N 1 54 PRO CA 1 54 PRO C 1 55 GLU N -140.00 80.00 -26.89 -29.46 -23.79 . . 0 "[ . 1 . 2 . 3 . 4]" 76 . 1 58 GLN N 1 58 GLN CA 1 58 GLN C 1 59 GLU N -140.00 80.00 -37.22 -33.16 -33.50 . . 0 "[ . 1 . 2 . 3 . 4]" 77 . 1 61 ILE N 1 61 ILE CA 1 61 ILE C 1 62 ASP N -140.00 80.00 -48.90 -49.25 -50.27 . . 0 "[ . 1 . 2 . 3 . 4]" 78 . 1 62 ASP N 1 62 ASP CA 1 62 ASP C 1 63 GLU N -140.00 80.00 -35.30 -43.34 -28.06 . . 0 "[ . 1 . 2 . 3 . 4]" 79 . 1 63 GLU N 1 63 GLU CA 1 63 GLU C 1 64 VAL N -140.00 80.00 -48.63 -48.12 -48.87 . . 0 "[ . 1 . 2 . 3 . 4]" 80 . 1 66 GLU N 1 66 GLU CA 1 66 GLU C 1 67 ASP N -140.00 80.00 -40.48 -48.63 -28.89 . . 0 "[ . 1 . 2 . 3 . 4]" 81 . 1 72 VAL N 1 72 VAL CA 1 72 VAL C 1 73 ASP N 20.00 -140.00 120.01 118.87 118.20 . . 0 "[ . 1 . 2 . 3 . 4]" 82 . 1 73 ASP N 1 73 ASP CA 1 73 ASP C 1 74 PHE N 20.00 -140.00 166.43 160.40 170.85 . . 0 "[ . 1 . 2 . 3 . 4]" 83 . 1 74 PHE N 1 74 PHE CA 1 74 PHE C 1 75 ASP N -140.00 80.00 -33.75 -39.73 -28.83 . . 0 "[ . 1 . 2 . 3 . 4]" 84 . 1 76 GLU N 1 76 GLU CA 1 76 GLU C 1 77 PHE N -140.00 80.00 -27.58 -33.45 -16.80 . . 0 "[ . 1 . 2 . 3 . 4]" 85 . 1 79 VAL N 1 79 VAL CA 1 79 VAL C 1 80 MET N -140.00 80.00 -47.97 -52.24 -42.97 . . 0 "[ . 1 . 2 . 3 . 4]" 86 . 1 4 ILE N 1 4 ILE CA 1 4 ILE CB 1 4 ILE CG1 20.00 100.00 62.20 58.53 58.10 . . 0 "[ . 1 . 2 . 3 . 4]" 87 . 1 13 THR N 1 13 THR CA 1 13 THR CB 1 13 THR OG1 20.00 100.00 20.99 18.41 24.55 1.59 13 0 "[ . 1 . 2 . 3 . 4]" 88 . 1 21 LYS N 1 21 LYS CA 1 21 LYS CB 1 21 LYS CG 140.00 -140.00 -173.00 -168.76 -171.23 . . 0 "[ . 1 . 2 . 3 . 4]" 89 . 1 24 PHE N 1 24 PHE CA 1 24 PHE CB 1 24 PHE CG 140.00 -140.00 -160.48 -164.06 -164.27 . . 0 "[ . 1 . 2 . 3 . 4]" 90 . 1 26 ILE N 1 26 ILE CA 1 26 ILE CB 1 26 ILE CG1 20.00 100.00 55.16 52.47 57.56 . . 0 "[ . 1 . 2 . 3 . 4]" 91 . 1 29 GLN N 1 29 GLN CA 1 29 GLN CB 1 29 GLN CG 140.00 -140.00 -178.23 175.21 -164.77 . . 0 "[ . 1 . 2 . 3 . 4]" 92 . 1 37 SER N 1 37 SER CA 1 37 SER CB 1 37 SER OG 140.00 -140.00 -154.50 176.66 -139.50 0.50 24 0 "[ . 1 . 2 . 3 . 4]" 93 . 1 53 THR N 1 53 THR CA 1 53 THR CB 1 53 THR OG1 20.00 100.00 83.87 84.79 84.51 . . 0 "[ . 1 . 2 . 3 . 4]" 94 . 1 65 ASP N 1 65 ASP CA 1 65 ASP CB 1 65 ASP CG 130.00 -130.00 -132.96 -146.65 -127.83 2.17 24 0 "[ . 1 . 2 . 3 . 4]" 95 . 1 74 PHE N 1 74 PHE CA 1 74 PHE CB 1 74 PHE CG 140.00 -140.00 -163.67 -167.61 -154.46 . . 0 "[ . 1 . 2 . 3 . 4]" 96 . 1 77 PHE N 1 77 PHE CA 1 77 PHE CB 1 77 PHE CG 130.00 -130.00 -145.95 -150.36 -141.37 . . 0 "[ . 1 . 2 . 3 . 4]" 97 . 1 80 MET N 1 80 MET CA 1 80 MET CB 1 80 MET CG 130.00 -130.00 -131.14 -137.16 -129.43 0.57 3 0 "[ . 1 . 2 . 3 . 4]" 98 . 1 82 VAL N 1 82 VAL CA 1 82 VAL CB 1 82 VAL CG1 -100.00 -20.00 -64.94 -67.61 -60.80 . . 0 "[ . 1 . 2 . 3 . 4]" stop_ save_
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