NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
377965 | 1ghu | cing | recoord | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_1ghu save_distance_constraint_statistics_1 _TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics _TA_constraint_stats_list.Constraint_count 169 _TA_constraint_stats_list.Viol_count 859 _TA_constraint_stats_list.Viol_total 14198.20 _TA_constraint_stats_list.Viol_max 3.64 _TA_constraint_stats_list.Viol_rms 0.40 _TA_constraint_stats_list.Viol_average_all_restraints 0.15 _TA_constraint_stats_list.Viol_average_violations_only 0.69 _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 4 PHE N 1 4 PHE CA 1 4 PHE CB 1 4 PHE CG 160.00 -160.00 -171.26 178.19 -162.86 . . 0 "[ . 1 . 2 ]" 2 . 1 5 PHE N 1 5 PHE CA 1 5 PHE CB 1 5 PHE CG -80.00 -40.00 -74.21 -74.93 -76.92 1.67 11 0 "[ . 1 . 2 ]" 3 . 1 10 ARG N 1 10 ARG CA 1 10 ARG CB 1 10 ARG CG 160.00 -160.00 -161.80 -173.57 -157.85 2.15 7 0 "[ . 1 . 2 ]" 4 . 1 26 PHE N 1 26 PHE CA 1 26 PHE CB 1 26 PHE CG 40.00 80.00 76.30 71.97 80.62 0.62 14 0 "[ . 1 . 2 ]" 5 . 1 38 PHE N 1 38 PHE CA 1 38 PHE CB 1 38 PHE CG -80.00 -40.00 -72.19 -71.02 -71.68 1.45 16 0 "[ . 1 . 2 ]" 6 . 1 39 SER N 1 39 SER CA 1 39 SER CB 1 39 SER OG -80.00 -40.00 -66.12 -65.07 -65.46 . . 0 "[ . 1 . 2 ]" 7 . 1 40 LEU N 1 40 LEU CA 1 40 LEU CB 1 40 LEU CG 160.00 -160.00 176.63 176.04 175.82 . . 0 "[ . 1 . 2 ]" 8 . 1 41 SER N 1 41 SER CA 1 41 SER CB 1 41 SER OG -80.00 -40.00 -45.99 -54.56 -38.95 1.05 22 0 "[ . 1 . 2 ]" 9 . 1 51 PHE N 1 51 PHE CA 1 51 PHE CB 1 51 PHE CG -80.00 -40.00 -58.80 -62.23 -63.28 . . 0 "[ . 1 . 2 ]" 10 . 1 55 ARG N 1 55 ARG CA 1 55 ARG CB 1 55 ARG CG -80.00 -40.00 -66.78 -62.02 -63.78 1.62 5 0 "[ . 1 . 2 ]" 11 . 1 56 ASP N 1 56 ASP CA 1 56 ASP CB 1 56 ASP CG 40.00 80.00 60.23 52.92 71.68 . . 0 "[ . 1 . 2 ]" 12 . 1 80 SER N 1 80 SER CA 1 80 SER CB 1 80 SER OG -80.00 -40.00 -62.52 -62.40 -62.46 . . 0 "[ . 1 . 2 ]" 13 . 1 74 LEU N 1 74 LEU CA 1 74 LEU CB 1 74 LEU CG 160.00 -160.00 -174.38 173.84 -165.10 . . 0 "[ . 1 . 2 ]" 14 . 1 87 GLN N 1 87 GLN CA 1 87 GLN CB 1 87 GLN CG -80.00 -40.00 -67.89 -72.32 -62.15 . . 0 "[ . 1 . 2 ]" 15 . 1 10 ARG N 1 10 ARG CA 1 10 ARG C 1 11 ALA N -110.00 -10.00 -41.36 -45.59 -35.80 . . 0 "[ . 1 . 2 ]" 16 . 1 11 ALA N 1 11 ALA CA 1 11 ALA C 1 12 LYS N -110.00 -10.00 -43.54 -43.38 -44.18 . . 0 "[ . 1 . 2 ]" 17 . 1 12 LYS N 1 12 LYS CA 1 12 LYS C 1 13 ALA N -110.00 -10.00 -36.22 -37.63 -38.12 . . 0 "[ . 1 . 2 ]" 18 . 1 13 ALA N 1 13 ALA CA 1 13 ALA C 1 14 GLU N -110.00 -10.00 -44.39 -45.25 -45.32 . . 0 "[ . 1 . 2 ]" 19 . 1 14 GLU N 1 14 GLU CA 1 14 GLU C 1 15 GLU N -110.00 -10.00 -40.64 -38.83 -39.33 . . 0 "[ . 1 . 2 ]" 20 . 1 15 GLU N 1 15 GLU CA 1 15 GLU C 1 16 MET N -110.00 -10.00 -48.12 -50.76 -51.27 . . 0 "[ . 1 . 2 ]" 21 . 1 16 MET N 1 16 MET CA 1 16 MET C 1 17 LEU N -110.00 -10.00 -47.67 -62.63 -36.36 . . 0 "[ . 1 . 2 ]" 22 . 1 17 LEU N 1 17 LEU CA 1 17 LEU C 1 18 SER N -110.00 -10.00 -29.97 -33.46 -36.30 0.18 16 0 "[ . 1 . 2 ]" 23 . 1 18 SER N 1 18 SER CA 1 18 SER C 1 19 LYS N -110.00 -10.00 -35.44 -44.02 -29.64 . . 0 "[ . 1 . 2 ]" 24 . 1 19 LYS N 1 19 LYS CA 1 19 LYS C 1 20 GLN N -110.00 -10.00 -34.66 -43.40 -21.82 . . 0 "[ . 1 . 2 ]" 25 . 1 72 ASN N 1 72 ASN CA 1 72 ASN C 1 73 GLU N -110.00 -10.00 -43.67 -38.08 -38.73 . . 0 "[ . 1 . 2 ]" 26 . 1 73 GLU N 1 73 GLU CA 1 73 GLU C 1 74 LEU N -110.00 -10.00 -43.26 -31.44 -38.32 . . 0 "[ . 1 . 2 ]" 27 . 1 74 LEU N 1 74 LEU CA 1 74 LEU C 1 75 VAL N -110.00 -10.00 -46.94 -44.14 -44.84 . . 0 "[ . 1 . 2 ]" 28 . 1 75 VAL N 1 75 VAL CA 1 75 VAL C 1 76 ASP N -110.00 -10.00 -55.18 -58.20 -59.32 . . 0 "[ . 1 . 2 ]" 29 . 1 76 ASP N 1 76 ASP CA 1 76 ASP C 1 77 TYR N -110.00 -10.00 -32.34 -23.49 -28.42 . . 0 "[ . 1 . 2 ]" 30 . 1 77 TYR N 1 77 TYR CA 1 77 TYR C 1 78 HIS N -110.00 -10.00 -56.17 -61.33 -61.68 . . 0 "[ . 1 . 2 ]" 31 . 1 78 HIS N 1 78 HIS CA 1 78 HIS C 1 79 ARG N -110.00 -10.00 -9.18 -9.70 -8.50 1.50 23 0 "[ . 1 . 2 ]" 32 . 1 79 ARG N 1 79 ARG CA 1 79 ARG C 1 80 SER N -110.00 -10.00 -31.47 -40.29 -21.46 . . 0 "[ . 1 . 2 ]" 33 . 1 80 SER N 1 80 SER CA 1 80 SER C 1 81 THR N -110.00 -10.00 -36.27 -31.31 -31.87 . . 0 "[ . 1 . 2 ]" 34 . 1 9 PRO C 1 10 ARG N 1 10 ARG CA 1 10 ARG C -90.00 -10.00 -63.59 -73.33 -57.57 . . 0 "[ . 1 . 2 ]" 35 . 1 10 ARG C 1 11 ALA N 1 11 ALA CA 1 11 ALA C -90.00 -10.00 -65.29 -69.04 -62.56 . . 0 "[ . 1 . 2 ]" 36 . 1 11 ALA C 1 12 LYS N 1 12 LYS CA 1 12 LYS C -90.00 -10.00 -64.27 -68.27 -59.83 . . 0 "[ . 1 . 2 ]" 37 . 1 14 GLU C 1 15 GLU N 1 15 GLU CA 1 15 GLU C -90.00 -10.00 -60.72 -70.77 -53.01 . . 0 "[ . 1 . 2 ]" 38 . 1 15 GLU C 1 16 MET N 1 16 MET CA 1 16 MET C -90.00 -10.00 -62.90 -57.50 -58.89 . . 0 "[ . 1 . 2 ]" 39 . 1 16 MET C 1 17 LEU N 1 17 LEU CA 1 17 LEU C -90.00 -10.00 -71.78 -90.13 -64.89 0.13 5 0 "[ . 1 . 2 ]" 40 . 1 17 LEU C 1 18 SER N 1 18 SER CA 1 18 SER C -90.00 -10.00 -59.02 -57.69 -58.76 . . 0 "[ . 1 . 2 ]" 41 . 1 21 ARG C 1 22 HIS N 1 22 HIS CA 1 22 HIS C -160.00 -90.00 -89.53 -89.84 -89.07 0.93 8 0 "[ . 1 . 2 ]" 42 . 1 22 HIS C 1 23 ASP N 1 23 ASP CA 1 23 ASP C -90.00 -10.00 -77.42 -82.74 -69.05 . . 0 "[ . 1 . 2 ]" 43 . 1 24 GLY C 1 25 ALA N 1 25 ALA CA 1 25 ALA C -90.00 -10.00 -65.39 -62.76 -63.99 . . 0 "[ . 1 . 2 ]" 44 . 1 25 ALA C 1 26 PHE N 1 26 PHE CA 1 26 PHE C -160.00 -80.00 -127.26 -132.82 -135.70 . . 0 "[ . 1 . 2 ]" 45 . 1 28 ILE C 1 29 ARG N 1 29 ARG CA 1 29 ARG C -160.00 -80.00 -98.78 -103.14 -104.40 . . 0 "[ . 1 . 2 ]" 46 . 1 29 ARG C 1 30 GLU N 1 30 GLU CA 1 30 GLU C -160.00 -80.00 -86.72 -87.67 -88.85 0.62 4 0 "[ . 1 . 2 ]" 47 . 1 30 GLU C 1 31 SER N 1 31 SER CA 1 31 SER C -90.00 -10.00 -67.78 -60.36 -62.84 . . 0 "[ . 1 . 2 ]" 48 . 1 33 SER C 1 34 ALA N 1 34 ALA CA 1 34 ALA C -160.00 -80.00 -116.98 -150.01 -93.15 . . 0 "[ . 1 . 2 ]" 49 . 1 36 GLY C 1 37 ASP N 1 37 ASP CA 1 37 ASP C -160.00 -80.00 -115.61 -98.12 -126.45 1.14 8 0 "[ . 1 . 2 ]" 50 . 1 38 PHE C 1 39 SER N 1 39 SER CA 1 39 SER C -160.00 -80.00 -144.08 -145.58 -146.21 . . 0 "[ . 1 . 2 ]" 51 . 1 39 SER C 1 40 LEU N 1 40 LEU CA 1 40 LEU C -160.00 -80.00 -80.70 -88.54 -79.30 0.70 18 0 "[ . 1 . 2 ]" 52 . 1 40 LEU C 1 41 SER N 1 41 SER CA 1 41 SER C -160.00 -80.00 -96.24 -109.51 -82.56 . . 0 "[ . 1 . 2 ]" 53 . 1 41 SER C 1 42 VAL N 1 42 VAL CA 1 42 VAL C -160.00 -80.00 -117.59 -122.21 -124.76 . . 0 "[ . 1 . 2 ]" 54 . 1 43 LYS C 1 44 PHE N 1 44 PHE CA 1 44 PHE C -160.00 -80.00 -130.45 -89.23 -105.49 . . 0 "[ . 1 . 2 ]" 55 . 1 46 ASN C 1 47 ASP N 1 47 ASP CA 1 47 ASP C -160.00 -80.00 -131.83 -160.86 -85.73 0.86 10 0 "[ . 1 . 2 ]" 56 . 1 48 VAL C 1 49 GLN N 1 49 GLN CA 1 49 GLN C -160.00 -80.00 -102.56 -104.96 -106.43 . . 0 "[ . 1 . 2 ]" 57 . 1 49 GLN C 1 50 HIS N 1 50 HIS CA 1 50 HIS C -160.00 -80.00 -98.99 -107.44 -94.15 . . 0 "[ . 1 . 2 ]" 58 . 1 50 HIS C 1 51 PHE N 1 51 PHE CA 1 51 PHE C -160.00 -80.00 -104.87 -86.66 -91.33 . . 0 "[ . 1 . 2 ]" 59 . 1 53 VAL C 1 54 LEU N 1 54 LEU CA 1 54 LEU C -160.00 -80.00 -99.66 -122.86 -81.36 . . 0 "[ . 1 . 2 ]" 60 . 1 54 LEU C 1 55 ARG N 1 55 ARG CA 1 55 ARG C -160.00 -80.00 -104.06 -110.54 -113.00 . . 0 "[ . 1 . 2 ]" 61 . 1 55 ARG C 1 56 ASP N 1 56 ASP CA 1 56 ASP C -160.00 -80.00 -99.54 -86.57 -95.83 0.42 8 0 "[ . 1 . 2 ]" 62 . 1 60 LYS C 1 61 TYR N 1 61 TYR CA 1 61 TYR C -160.00 -80.00 -92.40 -138.87 -143.99 0.57 22 0 "[ . 1 . 2 ]" 63 . 1 65 VAL C 1 66 VAL N 1 66 VAL CA 1 66 VAL C -160.00 -80.00 -81.46 -118.93 -79.13 0.87 5 0 "[ . 1 . 2 ]" 64 . 1 66 VAL C 1 67 LYS N 1 67 LYS CA 1 67 LYS C -160.00 -80.00 -83.26 -79.77 -79.87 0.48 19 0 "[ . 1 . 2 ]" 65 . 1 69 ASN C 1 70 SER N 1 70 SER CA 1 70 SER C -160.00 -80.00 -110.12 -102.94 -106.57 . . 0 "[ . 1 . 2 ]" 66 . 1 72 ASN C 1 73 GLU N 1 73 GLU CA 1 73 GLU C -90.00 -10.00 -60.76 -70.35 -54.16 . . 0 "[ . 1 . 2 ]" 67 . 1 73 GLU C 1 74 LEU N 1 74 LEU CA 1 74 LEU C -90.00 -10.00 -57.50 -66.44 -51.70 . . 0 "[ . 1 . 2 ]" 68 . 1 75 VAL C 1 76 ASP N 1 76 ASP CA 1 76 ASP C -90.00 -10.00 -61.54 -61.88 -63.16 . . 0 "[ . 1 . 2 ]" 69 . 1 76 ASP C 1 77 TYR N 1 77 TYR CA 1 77 TYR C -90.00 -10.00 -61.39 -67.05 -55.60 . . 0 "[ . 1 . 2 ]" 70 . 1 80 SER C 1 81 THR N 1 81 THR CA 1 81 THR C -90.00 -10.00 -90.00 -90.46 -90.51 1.21 7 0 "[ . 1 . 2 ]" 71 . 1 83 VAL C 1 84 SER N 1 84 SER CA 1 84 SER C -160.00 -80.00 -91.63 -88.56 -89.66 0.80 20 0 "[ . 1 . 2 ]" 72 . 1 86 ASN C 1 87 GLN N 1 87 GLN CA 1 87 GLN C -160.00 -80.00 -85.90 -87.77 -91.05 0.43 15 0 "[ . 1 . 2 ]" 73 . 1 89 ILE C 1 90 PHE N 1 90 PHE CA 1 90 PHE C -160.00 -80.00 -119.01 -146.63 -100.57 . . 0 "[ . 1 . 2 ]" 74 . 1 90 PHE C 1 91 LEU N 1 91 LEU CA 1 91 LEU C -90.00 -10.00 -80.06 -85.47 -87.59 0.39 1 0 "[ . 1 . 2 ]" 75 . 1 91 LEU C 1 92 ARG N 1 92 ARG CA 1 92 ARG C -160.00 -80.00 -127.90 -160.04 -109.29 0.04 14 0 "[ . 1 . 2 ]" 76 . 1 93 ASP C 1 94 ILE N 1 94 ILE CA 1 94 ILE C -90.00 -10.00 -69.54 -70.62 -72.62 . . 0 "[ . 1 . 2 ]" 77 . 1 2 SER CA 1 2 SER C 1 3 TRP N 1 3 TRP CA 170.00 -170.00 -178.60 169.43 -169.36 0.64 11 0 "[ . 1 . 2 ]" 78 . 1 3 TRP CA 1 3 TRP C 1 4 PHE N 1 4 PHE CA 170.00 -170.00 -176.77 172.31 -169.25 0.75 11 0 "[ . 1 . 2 ]" 79 . 1 4 PHE CA 1 4 PHE C 1 5 PHE N 1 5 PHE CA 170.00 -170.00 175.57 174.17 173.68 . . 0 "[ . 1 . 2 ]" 80 . 1 5 PHE CA 1 5 PHE C 1 6 GLY N 1 6 GLY CA 170.00 -170.00 179.95 169.43 -169.82 0.57 17 0 "[ . 1 . 2 ]" 81 . 1 6 GLY CA 1 6 GLY C 1 7 LYS N 1 7 LYS CA 170.00 -170.00 179.05 169.12 -171.83 0.88 13 0 "[ . 1 . 2 ]" 82 . 1 7 LYS CA 1 7 LYS C 1 8 ILE N 1 8 ILE CA 170.00 -170.00 178.28 169.36 -168.85 1.15 13 0 "[ . 1 . 2 ]" 83 . 1 8 ILE CA 1 8 ILE C 1 9 PRO N 1 9 PRO CA 170.00 -170.00 178.48 179.67 178.69 . . 0 "[ . 1 . 2 ]" 84 . 1 9 PRO CA 1 9 PRO C 1 10 ARG N 1 10 ARG CA 170.00 -170.00 177.48 175.09 172.62 0.51 21 0 "[ . 1 . 2 ]" 85 . 1 10 ARG CA 1 10 ARG C 1 11 ALA N 1 11 ALA CA 170.00 -170.00 175.64 175.37 174.17 0.35 21 0 "[ . 1 . 2 ]" 86 . 1 11 ALA CA 1 11 ALA C 1 12 LYS N 1 12 LYS CA 170.00 -170.00 169.81 169.16 171.38 0.84 21 0 "[ . 1 . 2 ]" 87 . 1 12 LYS CA 1 12 LYS C 1 13 ALA N 1 13 ALA CA 170.00 -170.00 170.47 170.24 170.05 0.59 21 0 "[ . 1 . 2 ]" 88 . 1 13 ALA CA 1 13 ALA C 1 14 GLU N 1 14 GLU CA 170.00 -170.00 170.58 169.54 173.16 0.46 21 0 "[ . 1 . 2 ]" 89 . 1 14 GLU CA 1 14 GLU C 1 15 GLU N 1 15 GLU CA 170.00 -170.00 173.44 170.43 178.33 . . 0 "[ . 1 . 2 ]" 90 . 1 15 GLU CA 1 15 GLU C 1 16 MET N 1 16 MET CA 170.00 -170.00 174.17 169.91 178.02 0.09 18 0 "[ . 1 . 2 ]" 91 . 1 16 MET CA 1 16 MET C 1 17 LEU N 1 17 LEU CA 170.00 -170.00 178.15 170.53 -168.67 1.33 18 0 "[ . 1 . 2 ]" 92 . 1 17 LEU CA 1 17 LEU C 1 18 SER N 1 18 SER CA 170.00 -170.00 171.16 168.51 178.89 1.49 19 0 "[ . 1 . 2 ]" 93 . 1 18 SER CA 1 18 SER C 1 19 LYS N 1 19 LYS CA 170.00 -170.00 169.84 168.70 174.22 1.30 19 0 "[ . 1 . 2 ]" 94 . 1 19 LYS CA 1 19 LYS C 1 20 GLN N 1 20 GLN CA 170.00 -170.00 177.91 169.85 -171.44 0.15 22 0 "[ . 1 . 2 ]" 95 . 1 20 GLN CA 1 20 GLN C 1 21 ARG N 1 21 ARG CA 170.00 -170.00 175.01 175.63 175.28 . . 0 "[ . 1 . 2 ]" 96 . 1 21 ARG CA 1 21 ARG C 1 22 HIS N 1 22 HIS CA 170.00 -170.00 -168.85 -168.88 -168.98 1.78 2 0 "[ . 1 . 2 ]" 97 . 1 22 HIS CA 1 22 HIS C 1 23 ASP N 1 23 ASP CA 170.00 -170.00 172.38 169.62 179.28 0.38 13 0 "[ . 1 . 2 ]" 98 . 1 23 ASP CA 1 23 ASP C 1 24 GLY N 1 24 GLY CA 170.00 -170.00 -169.22 -172.45 -168.07 1.93 20 0 "[ . 1 . 2 ]" 99 . 1 24 GLY CA 1 24 GLY C 1 25 ALA N 1 25 ALA CA 170.00 -170.00 -173.03 -169.96 -170.11 0.46 2 0 "[ . 1 . 2 ]" 100 . 1 25 ALA CA 1 25 ALA C 1 26 PHE N 1 26 PHE CA 170.00 -170.00 -168.56 -168.81 -168.91 2.49 7 0 "[ . 1 . 2 ]" 101 . 1 26 PHE CA 1 26 PHE C 1 27 LEU N 1 27 LEU CA 170.00 -170.00 168.44 167.16 169.27 2.84 2 0 "[ . 1 . 2 ]" 102 . 1 27 LEU CA 1 27 LEU C 1 28 ILE N 1 28 ILE CA 170.00 -170.00 172.46 169.54 178.09 0.46 3 0 "[ . 1 . 2 ]" 103 . 1 28 ILE CA 1 28 ILE C 1 29 ARG N 1 29 ARG CA 170.00 -170.00 170.73 169.52 176.44 0.48 4 0 "[ . 1 . 2 ]" 104 . 1 29 ARG CA 1 29 ARG C 1 30 GLU N 1 30 GLU CA 170.00 -170.00 170.35 168.29 -177.36 1.71 11 0 "[ . 1 . 2 ]" 105 . 1 30 GLU CA 1 30 GLU C 1 31 SER N 1 31 SER CA 170.00 -170.00 -175.47 -174.48 -175.87 0.24 4 0 "[ . 1 . 2 ]" 106 . 1 31 SER CA 1 31 SER C 1 32 GLU N 1 32 GLU CA 170.00 -170.00 -175.46 169.94 -168.96 1.04 20 0 "[ . 1 . 2 ]" 107 . 1 32 GLU CA 1 32 GLU C 1 33 SER N 1 33 SER CA 170.00 -170.00 174.86 -169.92 -172.99 1.79 22 0 "[ . 1 . 2 ]" 108 . 1 33 SER CA 1 33 SER C 1 34 ALA N 1 34 ALA CA 170.00 -170.00 177.83 169.94 -174.16 0.06 8 0 "[ . 1 . 2 ]" 109 . 1 34 ALA CA 1 34 ALA C 1 35 PRO N 1 35 PRO CA 170.00 -170.00 176.54 169.91 -175.15 0.09 3 0 "[ . 1 . 2 ]" 110 . 1 35 PRO CA 1 35 PRO C 1 36 GLY N 1 36 GLY CA 170.00 -170.00 -179.89 -168.86 -169.37 1.99 5 0 "[ . 1 . 2 ]" 111 . 1 36 GLY CA 1 36 GLY C 1 37 ASP N 1 37 ASP CA 170.00 -170.00 175.51 169.20 -178.08 0.80 3 0 "[ . 1 . 2 ]" 112 . 1 37 ASP CA 1 37 ASP C 1 38 PHE N 1 38 PHE CA 170.00 -170.00 -179.55 169.57 -169.99 0.43 13 0 "[ . 1 . 2 ]" 113 . 1 38 PHE CA 1 38 PHE C 1 39 SER N 1 39 SER CA 170.00 -170.00 179.00 -178.06 -178.81 . . 0 "[ . 1 . 2 ]" 114 . 1 39 SER CA 1 39 SER C 1 40 LEU N 1 40 LEU CA 170.00 -170.00 174.63 173.75 172.87 0.26 9 0 "[ . 1 . 2 ]" 115 . 1 40 LEU CA 1 40 LEU C 1 41 SER N 1 41 SER CA 170.00 -170.00 179.50 176.00 174.20 0.22 5 0 "[ . 1 . 2 ]" 116 . 1 41 SER CA 1 41 SER C 1 42 VAL N 1 42 VAL CA 170.00 -170.00 -171.70 -171.05 -171.41 0.52 24 0 "[ . 1 . 2 ]" 117 . 1 42 VAL CA 1 42 VAL C 1 43 LYS N 1 43 LYS CA 170.00 -170.00 173.74 169.15 -179.01 0.85 11 0 "[ . 1 . 2 ]" 118 . 1 43 LYS CA 1 43 LYS C 1 44 PHE N 1 44 PHE CA 170.00 -170.00 175.91 169.72 -174.48 0.28 3 0 "[ . 1 . 2 ]" 119 . 1 44 PHE CA 1 44 PHE C 1 45 GLY N 1 45 GLY CA 170.00 -170.00 -179.84 169.91 -169.88 0.12 20 0 "[ . 1 . 2 ]" 120 . 1 45 GLY CA 1 45 GLY C 1 46 ASN N 1 46 ASN CA 170.00 -170.00 174.66 168.18 -174.21 1.82 4 0 "[ . 1 . 2 ]" 121 . 1 46 ASN CA 1 46 ASN C 1 47 ASP N 1 47 ASP CA 170.00 -170.00 -176.43 175.59 -169.32 0.68 15 0 "[ . 1 . 2 ]" 122 . 1 47 ASP CA 1 47 ASP C 1 48 VAL N 1 48 VAL CA 170.00 -170.00 178.38 169.34 -169.58 0.66 9 0 "[ . 1 . 2 ]" 123 . 1 48 VAL CA 1 48 VAL C 1 49 GLN N 1 49 GLN CA 170.00 -170.00 -175.70 175.33 -169.88 0.12 1 0 "[ . 1 . 2 ]" 124 . 1 49 GLN CA 1 49 GLN C 1 50 HIS N 1 50 HIS CA 170.00 -170.00 -173.54 -176.28 -169.33 0.67 3 0 "[ . 1 . 2 ]" 125 . 1 50 HIS CA 1 50 HIS C 1 51 PHE N 1 51 PHE CA 170.00 -170.00 -178.65 172.32 -173.41 . . 0 "[ . 1 . 2 ]" 126 . 1 51 PHE CA 1 51 PHE C 1 52 LYS N 1 52 LYS CA 170.00 -170.00 -173.89 -169.94 -170.16 0.48 19 0 "[ . 1 . 2 ]" 127 . 1 52 LYS CA 1 52 LYS C 1 53 VAL N 1 53 VAL CA 170.00 -170.00 177.01 -178.03 -179.51 . . 0 "[ . 1 . 2 ]" 128 . 1 53 VAL CA 1 53 VAL C 1 54 LEU N 1 54 LEU CA 170.00 -170.00 -175.98 -176.90 -179.39 1.25 17 0 "[ . 1 . 2 ]" 129 . 1 54 LEU CA 1 54 LEU C 1 55 ARG N 1 55 ARG CA 170.00 -170.00 -176.65 176.13 -169.78 0.22 14 0 "[ . 1 . 2 ]" 130 . 1 55 ARG CA 1 55 ARG C 1 56 ASP N 1 56 ASP CA 170.00 -170.00 174.57 168.75 -175.56 1.25 12 0 "[ . 1 . 2 ]" 131 . 1 56 ASP CA 1 56 ASP C 1 57 GLY N 1 57 GLY CA 170.00 -170.00 -179.74 175.69 174.49 0.01 9 0 "[ . 1 . 2 ]" 132 . 1 57 GLY CA 1 57 GLY C 1 58 ALA N 1 58 ALA CA 170.00 -170.00 179.04 172.24 -169.94 0.06 1 0 "[ . 1 . 2 ]" 133 . 1 58 ALA CA 1 58 ALA C 1 59 GLY N 1 59 GLY CA 170.00 -170.00 172.69 169.31 -169.34 0.69 20 0 "[ . 1 . 2 ]" 134 . 1 59 GLY CA 1 59 GLY C 1 60 LYS N 1 60 LYS CA 170.00 -170.00 178.90 -171.11 -173.70 0.20 13 0 "[ . 1 . 2 ]" 135 . 1 60 LYS CA 1 60 LYS C 1 61 TYR N 1 61 TYR CA 170.00 -170.00 -169.85 -176.98 -167.82 2.18 13 0 "[ . 1 . 2 ]" 136 . 1 61 TYR CA 1 61 TYR C 1 62 PHE N 1 62 PHE CA 170.00 -170.00 179.57 174.23 -172.01 . . 0 "[ . 1 . 2 ]" 137 . 1 62 PHE CA 1 62 PHE C 1 63 LEU N 1 63 LEU CA 170.00 -170.00 172.99 175.56 173.76 1.16 6 0 "[ . 1 . 2 ]" 138 . 1 63 LEU CA 1 63 LEU C 1 64 TRP N 1 64 TRP CA 170.00 -170.00 -175.09 173.39 -167.71 2.29 9 0 "[ . 1 . 2 ]" 139 . 1 64 TRP CA 1 64 TRP C 1 65 VAL N 1 65 VAL CA 170.00 -170.00 179.63 -179.45 177.53 0.39 11 0 "[ . 1 . 2 ]" 140 . 1 65 VAL CA 1 65 VAL C 1 66 VAL N 1 66 VAL CA 170.00 -170.00 -175.03 -176.12 -176.80 0.57 17 0 "[ . 1 . 2 ]" 141 . 1 66 VAL CA 1 66 VAL C 1 67 LYS N 1 67 LYS CA 170.00 -170.00 -178.49 169.81 -170.61 0.19 17 0 "[ . 1 . 2 ]" 142 . 1 67 LYS CA 1 67 LYS C 1 68 PHE N 1 68 PHE CA 170.00 -170.00 -172.68 176.71 -169.49 0.51 16 0 "[ . 1 . 2 ]" 143 . 1 68 PHE CA 1 68 PHE C 1 69 ASN N 1 69 ASN CA 170.00 -170.00 -178.35 -170.97 -172.99 0.61 10 0 "[ . 1 . 2 ]" 144 . 1 69 ASN CA 1 69 ASN C 1 70 SER N 1 70 SER CA 170.00 -170.00 178.52 178.08 176.56 3.50 17 0 "[ . 1 . 2 ]" 145 . 1 70 SER CA 1 70 SER C 1 71 LEU N 1 71 LEU CA 170.00 -170.00 169.57 169.61 169.26 2.41 17 0 "[ . 1 . 2 ]" 146 . 1 71 LEU CA 1 71 LEU C 1 72 ASN N 1 72 ASN CA 170.00 -170.00 174.29 168.51 -167.89 2.11 17 0 "[ . 1 . 2 ]" 147 . 1 72 ASN CA 1 72 ASN C 1 73 GLU N 1 73 GLU CA 170.00 -170.00 170.12 169.21 169.10 2.23 12 0 "[ . 1 . 2 ]" 148 . 1 73 GLU CA 1 73 GLU C 1 74 LEU N 1 74 LEU CA 170.00 -170.00 170.76 168.11 177.13 1.89 12 0 "[ . 1 . 2 ]" 149 . 1 74 LEU CA 1 74 LEU C 1 75 VAL N 1 75 VAL CA 170.00 -170.00 176.15 172.64 172.47 0.42 12 0 "[ . 1 . 2 ]" 150 . 1 75 VAL CA 1 75 VAL C 1 76 ASP N 1 76 ASP CA 170.00 -170.00 -179.40 168.73 -173.97 1.27 18 0 "[ . 1 . 2 ]" 151 . 1 76 ASP CA 1 76 ASP C 1 77 TYR N 1 77 TYR CA 170.00 -170.00 168.99 167.95 169.87 2.05 18 0 "[ . 1 . 2 ]" 152 . 1 77 TYR CA 1 77 TYR C 1 78 HIS N 1 78 HIS CA 170.00 -170.00 177.09 173.99 179.52 . . 0 "[ . 1 . 2 ]" 153 . 1 78 HIS CA 1 78 HIS C 1 79 ARG N 1 79 ARG CA 170.00 -170.00 167.48 166.36 168.81 3.64 20 0 "[ . 1 . 2 ]" 154 . 1 79 ARG CA 1 79 ARG C 1 80 SER N 1 80 SER CA 170.00 -170.00 169.57 168.51 171.76 1.49 11 0 "[ . 1 . 2 ]" 155 . 1 80 SER CA 1 80 SER C 1 81 THR N 1 81 THR CA 170.00 -170.00 179.22 177.84 177.18 . . 0 "[ . 1 . 2 ]" 156 . 1 81 THR CA 1 81 THR C 1 82 SER N 1 82 SER CA 170.00 -170.00 178.30 170.01 -175.59 . . 0 "[ . 1 . 2 ]" 157 . 1 82 SER CA 1 82 SER C 1 83 VAL N 1 83 VAL CA 170.00 -170.00 170.78 171.26 170.88 1.52 4 0 "[ . 1 . 2 ]" 158 . 1 83 VAL CA 1 83 VAL C 1 84 SER N 1 84 SER CA 170.00 -170.00 177.83 169.86 -169.65 0.35 15 0 "[ . 1 . 2 ]" 159 . 1 84 SER CA 1 84 SER C 1 85 ARG N 1 85 ARG CA 170.00 -170.00 -179.64 169.60 -169.48 0.52 1 0 "[ . 1 . 2 ]" 160 . 1 85 ARG CA 1 85 ARG C 1 86 ASN N 1 86 ASN CA 170.00 -170.00 177.63 174.03 173.32 0.10 24 0 "[ . 1 . 2 ]" 161 . 1 86 ASN CA 1 86 ASN C 1 87 GLN N 1 87 GLN CA 170.00 -170.00 175.81 179.11 174.19 1.00 1 0 "[ . 1 . 2 ]" 162 . 1 87 GLN CA 1 87 GLN C 1 88 GLN N 1 88 GLN CA 170.00 -170.00 179.92 169.85 -168.92 1.08 18 0 "[ . 1 . 2 ]" 163 . 1 88 GLN CA 1 88 GLN C 1 89 ILE N 1 89 ILE CA 170.00 -170.00 -177.37 -174.80 -177.80 1.05 7 0 "[ . 1 . 2 ]" 164 . 1 89 ILE CA 1 89 ILE C 1 90 PHE N 1 90 PHE CA 170.00 -170.00 -176.03 173.68 -168.56 1.44 4 0 "[ . 1 . 2 ]" 165 . 1 90 PHE CA 1 90 PHE C 1 91 LEU N 1 91 LEU CA 170.00 -170.00 -170.00 -171.08 -175.08 1.32 15 0 "[ . 1 . 2 ]" 166 . 1 91 LEU CA 1 91 LEU C 1 92 ARG N 1 92 ARG CA 170.00 -170.00 178.11 -175.11 -179.08 0.45 14 0 "[ . 1 . 2 ]" 167 . 1 92 ARG CA 1 92 ARG C 1 93 ASP N 1 93 ASP CA 170.00 -170.00 -179.35 171.61 -170.05 . . 0 "[ . 1 . 2 ]" 168 . 1 93 ASP CA 1 93 ASP C 1 94 ILE N 1 94 ILE CA 170.00 -170.00 -176.93 178.90 -169.86 0.14 4 0 "[ . 1 . 2 ]" 169 . 1 94 ILE CA 1 94 ILE C 1 95 GLU N 1 95 GLU CA 170.00 -170.00 179.02 175.80 174.47 . . 0 "[ . 1 . 2 ]" stop_ save_
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