NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
598169 | 2mx7 | 25395 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2mx7 save_dihedral_constraint_statistics_1 _TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics _TA_constraint_stats_list.Constraint_count 185 _TA_constraint_stats_list.Viol_count 518 _TA_constraint_stats_list.Viol_total 5700.38 _TA_constraint_stats_list.Viol_max 12.98 _TA_constraint_stats_list.Viol_rms 0.77 _TA_constraint_stats_list.Viol_average_all_restraints 0.31 _TA_constraint_stats_list.Viol_average_violations_only 1.10 _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 1 SER C 1 2 MET N 1 2 MET CA 1 2 MET C 179.00 -53.00 -126.22 -136.11 -136.96 . . 0 "[ . 1]" 2 . 1 2 MET C 1 3 PHE N 1 3 PHE CA 1 3 PHE C -142.00 -60.00 -95.35 -95.66 -105.03 . . 0 "[ . 1]" 3 . 1 3 PHE C 1 4 PRO N 1 4 PRO CA 1 4 PRO C -91.00 -47.00 -79.47 -89.98 -91.10 1.23 9 0 "[ . 1]" 4 . 1 4 PRO C 1 5 SER N 1 5 SER CA 1 5 SER C -172.00 -48.00 -112.72 -159.73 -61.18 . . 0 "[ . 1]" 5 . 1 6 GLN C 1 7 ASP N 1 7 ASP CA 1 7 ASP C -155.00 -37.00 -100.05 -81.35 -96.37 . . 0 "[ . 1]" 6 . 1 9 ALA C 1 10 GLN N 1 10 GLN CA 1 10 GLN C -136.00 -46.00 -99.84 -136.32 -64.19 0.32 7 0 "[ . 1]" 7 . 1 10 GLN C 1 11 PRO N 1 11 PRO CA 1 11 PRO C -82.00 -50.00 -71.06 -83.51 -54.71 1.51 4 0 "[ . 1]" 8 . 1 12 ARG C 1 13 MET N 1 13 MET CA 1 13 MET C -173.00 -59.00 -85.30 -59.26 -73.70 0.77 4 0 "[ . 1]" 9 . 1 13 MET C 1 14 PRO N 1 14 PRO CA 1 14 PRO C -77.00 -47.00 -57.33 -64.65 -46.53 0.47 1 0 "[ . 1]" 10 . 1 14 PRO C 1 15 PRO N 1 15 PRO CA 1 15 PRO C -67.00 -45.00 -52.67 -44.65 -45.66 0.92 10 0 "[ . 1]" 11 . 1 15 PRO C 1 16 TRP N 1 16 TRP CA 1 16 TRP C -119.00 -63.00 -87.24 -71.82 -72.58 1.07 7 0 "[ . 1]" 12 . 1 16 TRP C 1 17 ILE N 1 17 ILE CA 1 17 ILE C -89.00 -53.00 -72.76 -71.04 -77.32 8.64 10 1 "[ . +]" 13 . 1 17 ILE C 1 18 TYR N 1 18 TYR CA 1 18 TYR C -130.00 -80.00 -99.40 -89.61 -92.82 . . 0 "[ . 1]" 14 . 1 18 TYR C 1 19 ASN N 1 19 ASN CA 1 19 ASN C -127.00 -45.00 -81.64 -128.57 -47.13 1.57 10 0 "[ . 1]" 15 . 1 19 ASN C 1 20 GLU N 1 20 GLU CA 1 20 GLU C -86.00 -38.00 -77.37 -83.09 -86.22 0.49 1 0 "[ . 1]" 16 . 1 20 GLU C 1 21 SER N 1 21 SER CA 1 21 SER C -86.00 -46.00 -64.57 -87.13 -53.24 1.13 6 0 "[ . 1]" 17 . 1 22 LEU C 1 23 VAL N 1 23 VAL CA 1 23 VAL C -110.00 -54.00 -87.38 -81.85 -92.43 0.49 8 0 "[ . 1]" 18 . 1 23 VAL C 1 24 PRO N 1 24 PRO CA 1 24 PRO C -72.00 -50.00 -67.28 -62.56 -67.80 1.46 10 0 "[ . 1]" 19 . 1 24 PRO C 1 25 ASP N 1 25 ASP CA 1 25 ASP C -60.00 -50.00 -55.99 -56.69 -59.26 . . 0 "[ . 1]" 20 . 1 25 ASP C 1 26 ALA N 1 26 ALA CA 1 26 ALA C -67.00 -57.00 -63.63 -67.66 -59.95 0.66 10 0 "[ . 1]" 21 . 1 26 ALA C 1 27 TYR N 1 27 TYR CA 1 27 TYR C -78.00 -58.00 -75.80 -78.72 -72.32 0.72 6 0 "[ . 1]" 22 . 1 27 TYR C 1 28 LYS N 1 28 LYS CA 1 28 LYS C -72.00 -52.00 -53.55 -54.68 -55.69 0.54 9 0 "[ . 1]" 23 . 1 28 LYS C 1 29 LYS N 1 29 LYS CA 1 29 LYS C -69.00 -59.00 -58.12 -57.74 -58.07 1.70 4 0 "[ . 1]" 24 . 1 29 LYS C 1 30 ILE N 1 30 ILE CA 1 30 ILE C -79.00 -59.00 -62.15 -64.73 -58.85 0.15 1 0 "[ . 1]" 25 . 1 30 ILE C 1 31 LEU N 1 31 LEU CA 1 31 LEU C -68.00 -58.00 -55.80 -56.35 -55.46 2.54 3 0 "[ . 1]" 26 . 1 31 LEU C 1 32 GLU N 1 32 GLU CA 1 32 GLU C -73.00 -49.00 -64.15 -73.41 -57.49 0.41 4 0 "[ . 1]" 27 . 1 32 GLU C 1 33 THR N 1 33 THR CA 1 33 THR C -93.00 -51.00 -65.36 -67.50 -62.81 . . 0 "[ . 1]" 28 . 1 33 THR C 1 34 THR N 1 34 THR CA 1 34 THR C -131.00 -69.00 -126.19 -123.54 -127.13 0.23 5 0 "[ . 1]" 29 . 1 34 THR C 1 35 MET N 1 35 MET CA 1 35 MET C -136.00 -22.00 -78.20 -77.29 -80.13 . . 0 "[ . 1]" 30 . 1 35 MET C 1 36 THR N 1 36 THR CA 1 36 THR C -123.00 -33.00 -117.20 -115.31 -121.44 0.62 7 0 "[ . 1]" 31 . 1 36 THR C 1 37 PRO N 1 37 PRO CA 1 37 PRO C -72.00 -42.00 -60.60 -65.15 -55.43 . . 0 "[ . 1]" 32 . 1 37 PRO C 1 38 THR N 1 38 THR CA 1 38 THR C -128.00 -50.00 -95.60 -93.83 -95.15 . . 0 "[ . 1]" 33 . 1 39 GLY C 1 40 ILE N 1 40 ILE CA 1 40 ILE C -111.00 -43.00 -67.55 -64.59 -65.82 . . 0 "[ . 1]" 34 . 1 40 ILE C 1 41 ASP N 1 41 ASP CA 1 41 ASP C -145.00 -51.00 -144.21 -146.84 -135.65 1.84 9 0 "[ . 1]" 35 . 1 41 ASP C 1 42 THR N 1 42 THR CA 1 42 THR C -64.00 -54.00 -66.00 -66.50 -65.14 2.50 10 0 "[ . 1]" 36 . 1 42 THR C 1 43 ALA N 1 43 ALA CA 1 43 ALA C -73.00 -53.00 -52.73 -52.60 -52.83 0.77 9 0 "[ . 1]" 37 . 1 43 ALA C 1 44 LYS N 1 44 LYS CA 1 44 LYS C -111.00 -61.00 -88.69 -96.80 -80.67 . . 0 "[ . 1]" 38 . 1 45 LEU C 1 46 TYR N 1 46 TYR CA 1 46 TYR C -69.00 -39.00 -53.91 -57.42 -60.76 . . 0 "[ . 1]" 39 . 1 46 TYR C 1 47 PRO N 1 47 PRO CA 1 47 PRO C -66.00 -56.00 -59.53 -59.47 -60.88 0.97 9 0 "[ . 1]" 40 . 1 47 PRO C 1 48 ILE N 1 48 ILE CA 1 48 ILE C -69.00 -61.00 -65.94 -69.43 -63.03 0.43 9 0 "[ . 1]" 41 . 1 48 ILE C 1 49 LEU N 1 49 LEU CA 1 49 LEU C -73.00 -57.00 -56.80 -57.74 -59.55 1.85 10 0 "[ . 1]" 42 . 1 49 LEU C 1 50 MET N 1 50 MET CA 1 50 MET C -67.00 -59.00 -65.88 -66.52 -67.15 0.74 9 0 "[ . 1]" 43 . 1 50 MET C 1 51 SER N 1 51 SER CA 1 51 SER C -76.00 -56.00 -73.33 -74.16 -76.27 0.55 1 0 "[ . 1]" 44 . 1 51 SER C 1 52 SER N 1 52 SER CA 1 52 SER C -111.00 -71.00 -78.21 -88.82 -71.12 . . 0 "[ . 1]" 45 . 1 52 SER C 1 53 GLY N 1 53 GLY CA 1 53 GLY C 68.00 94.00 92.91 83.59 94.89 0.89 8 0 "[ . 1]" 46 . 1 53 GLY C 1 54 LEU N 1 54 LEU CA 1 54 LEU C -128.00 -56.00 -100.26 -102.62 -105.94 . . 0 "[ . 1]" 47 . 1 54 LEU C 1 55 PRO N 1 55 PRO CA 1 55 PRO C -73.00 -53.00 -76.00 -76.19 -76.80 4.14 1 0 "[ . 1]" 48 . 1 56 ARG C 1 57 GLU N 1 57 GLU CA 1 57 GLU C -72.00 -52.00 -69.07 -69.99 -70.97 0.10 10 0 "[ . 1]" 49 . 1 57 GLU C 1 58 THR N 1 58 THR CA 1 58 THR C -71.00 -61.00 -64.06 -68.82 -60.81 0.19 1 0 "[ . 1]" 50 . 1 58 THR C 1 59 LEU N 1 59 LEU CA 1 59 LEU C -67.00 -57.00 -56.05 -56.72 -54.83 2.17 5 0 "[ . 1]" 51 . 1 59 LEU C 1 60 GLY N 1 60 GLY CA 1 60 GLY C -68.00 -60.00 -62.50 -62.34 -63.37 0.16 10 0 "[ . 1]" 52 . 1 60 GLY C 1 61 GLN N 1 61 GLN CA 1 61 GLN C -68.00 -62.00 -66.13 -65.10 -65.72 0.02 8 0 "[ . 1]" 53 . 1 61 GLN C 1 62 ILE N 1 62 ILE CA 1 62 ILE C -68.00 -58.00 -56.62 -56.14 -56.42 2.14 7 0 "[ . 1]" 54 . 1 62 ILE C 1 63 TRP N 1 63 TRP CA 1 63 TRP C -65.00 -55.00 -68.46 -69.09 -67.51 4.09 2 0 "[ . 1]" 55 . 1 63 TRP C 1 64 ALA N 1 64 ALA CA 1 64 ALA C -97.00 -47.00 -82.22 -82.48 -85.12 . . 0 "[ . 1]" 56 . 1 67 ASN C 1 68 ARG N 1 68 ARG CA 1 68 ARG C -148.00 -58.00 -98.81 -92.78 -132.71 . . 0 "[ . 1]" 57 . 1 68 ARG C 1 69 THR N 1 69 THR CA 1 69 THR C 167.00 23.00 -100.12 -109.05 -122.49 . . 0 "[ . 1]" 58 . 1 71 PRO C 1 72 GLY N 1 72 GLY CA 1 72 GLY C -150.00 -42.00 -113.34 -94.00 -96.71 0.37 4 0 "[ . 1]" 59 . 1 72 GLY C 1 73 LYS N 1 73 LYS CA 1 73 LYS C -141.00 -39.00 -80.03 -64.45 -70.65 . . 0 "[ . 1]" 60 . 1 74 LEU C 1 75 THR N 1 75 THR CA 1 75 THR C -125.00 -59.00 -72.81 -81.91 -85.50 . . 0 "[ . 1]" 61 . 1 75 THR C 1 76 LYS N 1 76 LYS CA 1 76 LYS C -65.00 -49.00 -50.33 -49.58 -50.36 0.41 3 0 "[ . 1]" 62 . 1 76 LYS C 1 77 GLU N 1 77 GLU CA 1 77 GLU C -68.00 -54.00 -58.01 -58.89 -59.49 0.12 3 0 "[ . 1]" 63 . 1 77 GLU C 1 78 GLU N 1 78 GLU CA 1 78 GLU C -71.00 -57.00 -65.27 -68.73 -60.44 . . 0 "[ . 1]" 64 . 1 78 GLU C 1 79 LEU N 1 79 LEU CA 1 79 LEU C -110.00 -30.00 -72.29 -72.96 -75.20 . . 0 "[ . 1]" 65 . 1 79 LEU C 1 80 TYR N 1 80 TYR CA 1 80 TYR C -96.00 -46.00 -70.88 -69.59 -71.76 . . 0 "[ . 1]" 66 . 1 80 TYR C 1 81 THR N 1 81 THR CA 1 81 THR C -72.00 -52.00 -60.72 -62.91 -58.14 . . 0 "[ . 1]" 67 . 1 81 THR C 1 82 VAL N 1 82 VAL CA 1 82 VAL C -75.00 -55.00 -70.88 -71.64 -72.99 . . 0 "[ . 1]" 68 . 1 82 VAL C 1 83 LEU N 1 83 LEU CA 1 83 LEU C -70.00 -50.00 -56.97 -63.25 -49.65 0.35 5 0 "[ . 1]" 69 . 1 83 LEU C 1 84 ALA N 1 84 ALA CA 1 84 ALA C -70.00 -62.00 -69.46 -70.24 -67.69 0.24 2 0 "[ . 1]" 70 . 1 84 ALA C 1 85 MET N 1 85 MET CA 1 85 MET C -70.00 -60.00 -69.80 -66.52 -68.70 0.82 9 0 "[ . 1]" 71 . 1 85 MET C 1 86 ILE N 1 86 ILE CA 1 86 ILE C -81.00 -57.00 -65.65 -64.71 -65.56 . . 0 "[ . 1]" 72 . 1 86 ILE C 1 87 ALA N 1 87 ALA CA 1 87 ALA C -66.00 -54.00 -56.85 -55.35 -56.31 . . 0 "[ . 1]" 73 . 1 87 ALA C 1 88 VAL N 1 88 VAL CA 1 88 VAL C -67.00 -55.00 -66.77 -66.21 -66.51 1.85 9 0 "[ . 1]" 74 . 1 88 VAL C 1 89 THR N 1 89 THR CA 1 89 THR C -79.00 -55.00 -66.77 -64.08 -65.39 . . 0 "[ . 1]" 75 . 1 89 THR C 1 90 GLN N 1 90 GLN CA 1 90 GLN C -70.00 -58.00 -57.17 -58.20 -56.30 1.70 7 0 "[ . 1]" 76 . 1 90 GLN C 1 91 ARG N 1 91 ARG CA 1 91 ARG C -107.00 -75.00 -76.17 -85.24 -74.26 0.74 8 0 "[ . 1]" 77 . 1 91 ARG C 1 92 GLY N 1 92 GLY CA 1 92 GLY C 72.00 88.00 88.24 88.68 88.45 1.36 9 0 "[ . 1]" 78 . 1 92 GLY C 1 93 VAL N 1 93 VAL CA 1 93 VAL C -110.00 -78.00 -105.42 -110.61 -96.04 0.61 3 0 "[ . 1]" 79 . 1 93 VAL C 1 94 PRO N 1 94 PRO CA 1 94 PRO C -78.00 -64.00 -68.54 -68.31 -69.63 0.11 3 0 "[ . 1]" 80 . 1 94 PRO C 1 95 ALA N 1 95 ALA CA 1 95 ALA C -117.00 -93.00 -95.16 -117.20 -91.72 1.28 1 0 "[ . 1]" 81 . 1 95 ALA C 1 96 MET N 1 96 MET CA 1 96 MET C -118.00 -78.00 -113.72 -119.27 -86.80 1.27 3 0 "[ . 1]" 82 . 1 98 PRO C 1 99 ASP N 1 99 ASP CA 1 99 ASP C -63.00 -53.00 -61.73 -63.99 -59.17 0.99 6 0 "[ . 1]" 83 . 1 99 ASP C 1 100 ALA N 1 100 ALA CA 1 100 ALA C -75.00 -65.00 -70.25 -69.16 -71.68 1.31 10 0 "[ . 1]" 84 . 1 100 ALA C 1 101 LEU N 1 101 LEU CA 1 101 LEU C -73.00 -63.00 -73.60 -73.70 -74.17 2.69 8 0 "[ . 1]" 85 . 1 101 LEU C 1 102 ASN N 1 102 ASN CA 1 102 ASN C -69.00 -61.00 -65.75 -70.51 -60.88 1.51 10 0 "[ . 1]" 86 . 1 102 ASN C 1 103 GLN N 1 103 GLN CA 1 103 GLN C -93.00 -83.00 -83.28 -90.56 -81.34 1.66 3 0 "[ . 1]" 87 . 1 104 PHE C 1 105 PRO N 1 105 PRO CA 1 105 PRO C -77.00 -53.00 -51.97 -52.30 -52.63 1.78 4 0 "[ . 1]" 88 . 1 105 PRO C 1 106 ALA N 1 106 ALA CA 1 106 ALA C -135.00 -99.00 -135.31 -135.57 -135.60 1.08 7 0 "[ . 1]" 89 . 1 106 ALA C 1 107 ALA N 1 107 ALA CA 1 107 ALA C -108.00 -84.00 -89.53 -99.01 -83.75 0.25 10 0 "[ . 1]" 90 . 1 107 ALA C 1 108 PRO N 1 108 PRO CA 1 108 PRO C -76.00 -60.00 -67.18 -72.58 -61.67 . . 0 "[ . 1]" 91 . 1 108 PRO C 1 109 ILE N 1 109 ILE CA 1 109 ILE C -103.00 -79.00 -90.02 -94.01 -100.40 . . 0 "[ . 1]" 92 . 1 109 ILE C 1 110 PRO N 1 110 PRO CA 1 110 PRO C -80.00 -56.00 -56.59 -55.87 -59.69 1.03 5 0 "[ . 1]" 93 . 1 110 PRO C 1 111 THR N 1 111 THR CA 1 111 THR C -100.00 -72.00 -92.38 -94.34 -94.35 5.63 3 1 "[ + . 1]" 94 . 1 2 MET N 1 2 MET CA 1 2 MET C 1 3 PHE N 66.00 -160.00 128.20 65.72 164.32 0.28 5 0 "[ . 1]" 95 . 1 3 PHE N 1 3 PHE CA 1 3 PHE C 1 4 PRO N 66.00 174.00 155.86 147.05 164.32 . . 0 "[ . 1]" 96 . 1 4 PRO N 1 4 PRO CA 1 4 PRO C 1 5 SER N 123.00 161.00 133.20 122.01 160.71 0.99 5 0 "[ . 1]" 97 . 1 5 SER N 1 5 SER CA 1 5 SER C 1 6 GLN N 103.00 151.00 118.52 102.57 133.49 0.43 8 0 "[ . 1]" 98 . 1 7 ASP N 1 7 ASP CA 1 7 ASP C 1 8 PRO N 51.00 -179.00 125.57 139.93 131.99 . . 0 "[ . 1]" 99 . 1 10 GLN N 1 10 GLN CA 1 10 GLN C 1 11 PRO N 68.00 174.00 113.26 93.90 131.06 . . 0 "[ . 1]" 100 . 1 11 PRO N 1 11 PRO CA 1 11 PRO C 1 12 ARG N 130.00 168.00 147.29 127.22 169.14 2.78 7 0 "[ . 1]" 101 . 1 13 MET N 1 13 MET CA 1 13 MET C 1 14 PRO N 74.00 -162.00 136.65 94.57 169.22 . . 0 "[ . 1]" 102 . 1 14 PRO N 1 14 PRO CA 1 14 PRO C 1 15 PRO N 120.00 172.00 129.67 139.88 132.29 0.23 9 0 "[ . 1]" 103 . 1 15 PRO N 1 15 PRO CA 1 15 PRO C 1 16 TRP N -44.00 -14.00 -34.72 -47.46 -10.00 4.00 10 0 "[ . 1]" 104 . 1 16 TRP N 1 16 TRP CA 1 16 TRP C 1 17 ILE N -30.00 30.00 -8.53 -27.96 42.98 12.98 10 1 "[ . +]" 105 . 1 17 ILE N 1 17 ILE CA 1 17 ILE C 1 18 TYR N -44.00 -16.00 -39.64 -44.19 -44.67 1.53 10 0 "[ . 1]" 106 . 1 18 TYR N 1 18 TYR CA 1 18 TYR C 1 19 ASN N -29.00 31.00 28.47 21.16 3.90 2.56 3 0 "[ . 1]" 107 . 1 19 ASN N 1 19 ASN CA 1 19 ASN C 1 20 GLU N 67.00 153.00 113.55 80.35 153.64 0.64 4 0 "[ . 1]" 108 . 1 20 GLU N 1 20 GLU CA 1 20 GLU C 1 21 SER N -58.00 0.00 -7.85 -33.73 2.42 2.42 6 0 "[ . 1]" 109 . 1 21 SER N 1 21 SER CA 1 21 SER C 1 22 LEU N -61.00 5.00 -38.02 -62.38 6.20 1.38 10 0 "[ . 1]" 110 . 1 23 VAL N 1 23 VAL CA 1 23 VAL C 1 24 PRO N 97.00 157.00 124.23 106.35 135.11 . . 0 "[ . 1]" 111 . 1 24 PRO N 1 24 PRO CA 1 24 PRO C 1 25 ASP N 117.00 157.00 154.45 157.10 153.07 1.50 6 0 "[ . 1]" 112 . 1 25 ASP N 1 25 ASP CA 1 25 ASP C 1 26 ALA N -49.00 -29.00 -31.78 -37.23 -28.42 0.58 3 0 "[ . 1]" 113 . 1 26 ALA N 1 26 ALA CA 1 26 ALA C 1 27 TYR N -47.00 -11.00 -36.56 -43.94 -29.82 . . 0 "[ . 1]" 114 . 1 27 TYR N 1 27 TYR CA 1 27 TYR C 1 28 LYS N -55.00 -5.00 -55.33 -55.81 -56.34 1.81 4 0 "[ . 1]" 115 . 1 28 LYS N 1 28 LYS CA 1 28 LYS C 1 29 LYS N -53.00 -29.00 -36.03 -40.33 -29.41 . . 0 "[ . 1]" 116 . 1 29 LYS N 1 29 LYS CA 1 29 LYS C 1 30 ILE N -50.00 -30.00 -52.10 -53.13 -50.72 3.13 7 0 "[ . 1]" 117 . 1 30 ILE N 1 30 ILE CA 1 30 ILE C 1 31 LEU N -49.00 -29.00 -32.12 -34.47 -29.83 . . 0 "[ . 1]" 118 . 1 31 LEU N 1 31 LEU CA 1 31 LEU C 1 32 GLU N -51.00 -37.00 -48.07 -51.30 -51.62 1.04 8 0 "[ . 1]" 119 . 1 32 GLU N 1 32 GLU CA 1 32 GLU C 1 33 THR N -46.00 -18.00 -43.57 -42.19 -42.40 0.10 10 0 "[ . 1]" 120 . 1 33 THR N 1 33 THR CA 1 33 THR C 1 34 THR N -75.00 -5.00 -75.08 -75.60 -75.80 0.80 1 0 "[ . 1]" 121 . 1 34 THR N 1 34 THR CA 1 34 THR C 1 35 MET N -28.00 28.00 -18.81 -28.05 -9.25 0.05 9 0 "[ . 1]" 122 . 1 35 MET N 1 35 MET CA 1 35 MET C 1 36 THR N 67.00 -175.00 162.72 153.20 168.85 . . 0 "[ . 1]" 123 . 1 36 THR N 1 36 THR CA 1 36 THR C 1 37 PRO N 88.00 170.00 165.50 154.84 170.09 0.09 1 0 "[ . 1]" 124 . 1 37 PRO N 1 37 PRO CA 1 37 PRO C 1 38 THR N -47.00 -7.00 -16.51 -13.64 -16.71 0.12 10 0 "[ . 1]" 125 . 1 38 THR N 1 38 THR CA 1 38 THR C 1 39 GLY N -27.00 9.00 -13.19 -22.43 -0.00 . . 0 "[ . 1]" 126 . 1 40 ILE N 1 40 ILE CA 1 40 ILE C 1 41 ASP N 110.00 140.00 135.13 122.89 141.39 1.39 3 0 "[ . 1]" 127 . 1 41 ASP N 1 41 ASP CA 1 41 ASP C 1 42 THR N 81.00 157.00 92.76 82.10 100.55 . . 0 "[ . 1]" 128 . 1 42 THR N 1 42 THR CA 1 42 THR C 1 43 ALA N -48.00 -18.00 -18.31 -19.91 -17.05 0.95 8 0 "[ . 1]" 129 . 1 43 ALA N 1 43 ALA CA 1 43 ALA C 1 44 LYS N -43.00 -13.00 -39.00 -40.42 -41.95 0.47 5 0 "[ . 1]" 130 . 1 44 LYS N 1 44 LYS CA 1 44 LYS C 1 45 LEU N -35.00 5.00 -24.69 -21.84 -23.56 . . 0 "[ . 1]" 131 . 1 46 TYR N 1 46 TYR CA 1 46 TYR C 1 47 PRO N -75.00 -9.00 -63.33 -63.22 -64.37 . . 0 "[ . 1]" 132 . 1 47 PRO N 1 47 PRO CA 1 47 PRO C 1 48 ILE N -45.00 -21.00 -43.50 -46.30 -41.33 1.30 2 0 "[ . 1]" 133 . 1 48 ILE N 1 48 ILE CA 1 48 ILE C 1 49 LEU N -54.00 -34.00 -56.55 -56.54 -56.82 3.07 1 0 "[ . 1]" 134 . 1 49 LEU N 1 49 LEU CA 1 49 LEU C 1 50 MET N -47.00 -27.00 -41.89 -45.94 -37.54 . . 0 "[ . 1]" 135 . 1 50 MET N 1 50 MET CA 1 50 MET C 1 51 SER N -47.00 -23.00 -27.57 -27.15 -27.60 . . 0 "[ . 1]" 136 . 1 51 SER N 1 51 SER CA 1 51 SER C 1 52 SER N -45.00 -15.00 -22.20 -20.01 -21.50 . . 0 "[ . 1]" 137 . 1 52 SER N 1 52 SER CA 1 52 SER C 1 53 GLY N -23.00 19.00 3.79 -2.16 -4.77 . . 0 "[ . 1]" 138 . 1 53 GLY N 1 53 GLY CA 1 53 GLY C 1 54 LEU N -10.00 42.00 14.87 2.08 27.57 . . 0 "[ . 1]" 139 . 1 54 LEU N 1 54 LEU CA 1 54 LEU C 1 55 PRO N 83.00 175.00 150.95 152.14 151.20 . . 0 "[ . 1]" 140 . 1 55 PRO N 1 55 PRO CA 1 55 PRO C 1 56 ARG N 130.00 150.00 131.81 131.72 131.49 0.78 10 0 "[ . 1]" 141 . 1 57 GLU N 1 57 GLU CA 1 57 GLU C 1 58 THR N -58.00 6.00 -59.12 -59.34 -59.55 1.72 1 0 "[ . 1]" 142 . 1 58 THR N 1 58 THR CA 1 58 THR C 1 59 LEU N -53.00 -23.00 -37.47 -38.24 -39.16 . . 0 "[ . 1]" 143 . 1 59 LEU N 1 59 LEU CA 1 59 LEU C 1 60 GLY N -49.00 -33.00 -47.91 -50.07 -44.60 1.07 8 0 "[ . 1]" 144 . 1 60 GLY N 1 60 GLY CA 1 60 GLY C 1 61 GLN N -45.00 -35.00 -39.29 -44.88 -34.54 0.46 4 0 "[ . 1]" 145 . 1 61 GLN N 1 61 GLN CA 1 61 GLN C 1 62 ILE N -46.00 -36.00 -43.91 -43.86 -46.25 0.76 1 0 "[ . 1]" 146 . 1 62 ILE N 1 62 ILE CA 1 62 ILE C 1 63 TRP N -47.00 -37.00 -40.00 -42.90 -36.76 0.24 1 0 "[ . 1]" 147 . 1 63 TRP N 1 63 TRP CA 1 63 TRP C 1 64 ALA N -51.00 -35.00 -32.05 -32.88 -31.00 4.00 4 0 "[ . 1]" 148 . 1 64 ALA N 1 64 ALA CA 1 64 ALA C 1 65 LEU N -55.00 -5.00 -14.43 -16.33 -19.49 . . 0 "[ . 1]" 149 . 1 68 ARG N 1 68 ARG CA 1 68 ARG C 1 69 THR N 60.00 -158.00 106.66 127.68 99.14 2.01 1 0 "[ . 1]" 150 . 1 69 THR N 1 69 THR CA 1 69 THR C 1 70 THR N 65.00 -157.00 88.52 69.00 64.47 2.41 4 0 "[ . 1]" 151 . 1 72 GLY N 1 72 GLY CA 1 72 GLY C 1 73 LYS N 100.00 152.00 145.47 153.67 152.98 1.67 2 0 "[ . 1]" 152 . 1 73 LYS N 1 73 LYS CA 1 73 LYS C 1 74 LEU N 97.00 145.00 115.69 137.88 122.61 1.26 10 0 "[ . 1]" 153 . 1 75 THR N 1 75 THR CA 1 75 THR C 1 76 LYS N 147.00 -163.00 164.27 154.14 178.11 . . 0 "[ . 1]" 154 . 1 76 LYS N 1 76 LYS CA 1 76 LYS C 1 77 GLU N -51.00 -35.00 -48.40 -51.72 -38.78 0.72 4 0 "[ . 1]" 155 . 1 77 GLU N 1 77 GLU CA 1 77 GLU C 1 78 GLU N -46.00 -30.00 -43.43 -46.55 -33.77 0.55 4 0 "[ . 1]" 156 . 1 78 GLU N 1 78 GLU CA 1 78 GLU C 1 79 LEU N -50.00 -30.00 -31.66 -38.56 -28.50 1.50 9 0 "[ . 1]" 157 . 1 80 TYR N 1 80 TYR CA 1 80 TYR C 1 81 THR N -58.00 12.00 -35.36 -35.01 -35.55 . . 0 "[ . 1]" 158 . 1 81 THR N 1 81 THR CA 1 81 THR C 1 82 VAL N -46.00 -16.00 -37.56 -40.46 -32.47 . . 0 "[ . 1]" 159 . 1 82 VAL N 1 82 VAL CA 1 82 VAL C 1 83 LEU N -54.00 -30.00 -47.53 -41.73 -44.48 1.96 4 0 "[ . 1]" 160 . 1 83 LEU N 1 83 LEU CA 1 83 LEU C 1 84 ALA N -46.00 -36.00 -43.73 -42.72 -44.04 0.06 6 0 "[ . 1]" 161 . 1 84 ALA N 1 84 ALA CA 1 84 ALA C 1 85 MET N -46.00 -34.00 -38.11 -40.37 -40.48 . . 0 "[ . 1]" 162 . 1 85 MET N 1 85 MET CA 1 85 MET C 1 86 ILE N -51.00 -23.00 -32.39 -35.34 -29.93 . . 0 "[ . 1]" 163 . 1 86 ILE N 1 86 ILE CA 1 86 ILE C 1 87 ALA N -54.00 -26.00 -47.38 -51.44 -44.71 . . 0 "[ . 1]" 164 . 1 87 ALA N 1 87 ALA CA 1 87 ALA C 1 88 VAL N -50.00 -34.00 -49.47 -48.88 -49.80 0.59 3 0 "[ . 1]" 165 . 1 88 VAL N 1 88 VAL CA 1 88 VAL C 1 89 THR N -55.00 -23.00 -33.18 -41.41 -27.56 . . 0 "[ . 1]" 166 . 1 89 THR N 1 89 THR CA 1 89 THR C 1 90 GLN N -52.00 -28.00 -44.06 -48.81 -39.09 . . 0 "[ . 1]" 167 . 1 90 GLN N 1 90 GLN CA 1 90 GLN C 1 91 ARG N -38.00 -6.00 -32.67 -34.20 -35.76 . . 0 "[ . 1]" 168 . 1 91 ARG N 1 91 ARG CA 1 91 ARG C 1 92 GLY N -11.00 13.00 0.00 10.55 3.50 1.10 2 0 "[ . 1]" 169 . 1 92 GLY N 1 92 GLY CA 1 92 GLY C 1 93 VAL N -2.00 26.00 6.77 10.33 10.24 . . 0 "[ . 1]" 170 . 1 93 VAL N 1 93 VAL CA 1 93 VAL C 1 94 PRO N 104.00 136.00 109.13 103.30 127.88 0.70 3 0 "[ . 1]" 171 . 1 94 PRO N 1 94 PRO CA 1 94 PRO C 1 95 ALA N 143.00 159.00 145.10 141.79 157.26 1.21 10 0 "[ . 1]" 172 . 1 95 ALA N 1 95 ALA CA 1 95 ALA C 1 96 MET N 108.00 152.00 107.06 105.79 109.20 2.21 3 0 "[ . 1]" 173 . 1 96 MET N 1 96 MET CA 1 96 MET C 1 97 SER N -39.00 1.00 -29.90 -39.27 -39.41 0.41 1 0 "[ . 1]" 174 . 1 99 ASP N 1 99 ASP CA 1 99 ASP C 1 100 ALA N -38.00 -24.00 -27.16 -29.76 -31.87 0.87 4 0 "[ . 1]" 175 . 1 100 ALA N 1 100 ALA CA 1 100 ALA C 1 101 LEU N -26.00 -14.00 -24.23 -24.63 -27.06 2.88 5 0 "[ . 1]" 176 . 1 101 LEU N 1 101 LEU CA 1 101 LEU C 1 102 ASN N -29.00 -19.00 -28.68 -29.21 -29.66 2.65 10 0 "[ . 1]" 177 . 1 102 ASN N 1 102 ASN CA 1 102 ASN C 1 103 GLN N -37.00 -27.00 -25.73 -28.24 -24.32 2.68 10 0 "[ . 1]" 178 . 1 103 GLN N 1 103 GLN CA 1 103 GLN C 1 104 PHE N -15.00 -5.00 -12.30 -11.50 -15.06 1.00 7 0 "[ . 1]" 179 . 1 105 PRO N 1 105 PRO CA 1 105 PRO C 1 106 ALA N -36.00 8.00 -37.72 -38.32 -36.80 2.32 10 0 "[ . 1]" 180 . 1 106 ALA N 1 106 ALA CA 1 106 ALA C 1 107 ALA N 119.00 155.00 148.46 148.17 144.77 . . 0 "[ . 1]" 181 . 1 107 ALA N 1 107 ALA CA 1 107 ALA C 1 108 PRO N 111.00 135.00 124.73 120.39 131.39 . . 0 "[ . 1]" 182 . 1 108 PRO N 1 108 PRO CA 1 108 PRO C 1 109 ILE N 134.00 158.00 149.60 135.40 158.15 0.15 1 0 "[ . 1]" 183 . 1 109 ILE N 1 109 ILE CA 1 109 ILE C 1 110 PRO N 112.00 136.00 128.20 121.66 132.75 . . 0 "[ . 1]" 184 . 1 110 PRO N 1 110 PRO CA 1 110 PRO C 1 111 THR N 133.00 153.00 134.42 128.62 144.70 4.38 3 0 "[ . 1]" 185 . 1 111 THR N 1 111 THR CA 1 111 THR C 1 112 LEU N 124.00 140.00 124.05 121.91 128.09 2.09 10 0 "[ . 1]" stop_ save_
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