NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
572667 | 2mim | 19687 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2mim save_dihedral_constraint_statistics_1 _TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics _TA_constraint_stats_list.Constraint_count 162 _TA_constraint_stats_list.Viol_count 528 _TA_constraint_stats_list.Viol_total 5523.19 _TA_constraint_stats_list.Viol_max 4.97 _TA_constraint_stats_list.Viol_rms 0.78 _TA_constraint_stats_list.Viol_average_all_restraints 0.34 _TA_constraint_stats_list.Viol_average_violations_only 1.05 _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 24 SER C 1 25 SER N 1 25 SER CA 1 25 SER C -180.00 0.00 -137.46 179.87 179.79 0.21 1 0 "[ . 1]" 2 . 1 26 GLY C 1 27 ASP N 1 27 ASP CA 1 27 ASP C -180.00 0.00 -161.24 179.69 -136.55 0.31 2 0 "[ . 1]" 3 . 1 39 ASP C 1 40 ASN N 1 40 ASN CA 1 40 ASN C -180.00 0.00 -47.46 -38.57 -59.22 . . 0 "[ . 1]" 4 . 1 154 ASP C 1 155 ASP N 1 155 ASP CA 1 155 ASP C -180.00 0.00 -34.51 -37.46 -31.83 . . 0 "[ . 1]" 5 . 1 10 ALA C 1 11 VAL N 1 11 VAL CA 1 11 VAL C -167.05 -74.69 -99.43 -139.11 -81.06 . . 0 "[ . 1]" 6 . 1 11 VAL C 1 12 GLU N 1 12 GLU CA 1 12 GLU C -131.54 -83.02 -131.53 -132.00 -132.39 0.85 1 0 "[ . 1]" 7 . 1 12 GLU C 1 13 ILE N 1 13 ILE CA 1 13 ILE C -176.51 -63.91 -86.65 -86.08 -86.61 . . 0 "[ . 1]" 8 . 1 13 ILE C 1 14 SER N 1 14 SER CA 1 14 SER C -158.46 -73.10 -145.78 -158.88 -125.14 0.42 7 0 "[ . 1]" 9 . 1 16 THR C 1 17 THR N 1 17 THR CA 1 17 THR C -135.69 -75.13 -136.35 -137.16 -136.00 1.47 10 0 "[ . 1]" 10 . 1 17 THR C 1 18 VAL N 1 18 VAL CA 1 18 VAL C -163.79 -73.91 -124.74 -113.54 -125.47 . . 0 "[ . 1]" 11 . 1 19 THR C 1 20 ILE N 1 20 ILE CA 1 20 ILE C -172.42 -115.14 -134.57 -144.64 -127.51 . . 0 "[ . 1]" 12 . 1 20 ILE C 1 21 THR N 1 21 THR CA 1 21 THR C -160.45 -62.13 -92.56 -97.90 -101.88 . . 0 "[ . 1]" 13 . 1 21 THR C 1 22 CYS N 1 22 CYS CA 1 22 CYS C -157.21 -92.33 -92.65 -95.52 -90.49 1.84 5 0 "[ . 1]" 14 . 1 28 ASP C 1 29 ILE N 1 29 ILE CA 1 29 ILE C -120.59 -49.91 -74.77 -71.52 -72.52 . . 0 "[ . 1]" 15 . 1 29 ILE C 1 30 LYS N 1 30 LYS CA 1 30 LYS C -145.61 -73.65 -121.70 -133.14 -114.13 . . 0 "[ . 1]" 16 . 1 30 LYS C 1 31 TRP N 1 31 TRP CA 1 31 TRP C -167.08 -72.08 -89.64 -110.26 -76.18 . . 0 "[ . 1]" 17 . 1 31 TRP C 1 32 LYS N 1 32 LYS CA 1 32 LYS C -168.86 -78.66 -137.90 -145.12 -124.55 . . 0 "[ . 1]" 18 . 1 34 ASP C 1 35 PRO N 1 35 PRO CA 1 35 PRO C -78.33 -38.33 -63.06 -63.95 -65.20 . . 0 "[ . 1]" 19 . 1 36 ALA C 1 37 LEU N 1 37 LEU CA 1 37 LEU C -139.03 -24.23 -123.60 -128.40 -118.94 . . 0 "[ . 1]" 20 . 1 38 GLY C 1 39 ASP N 1 39 ASP CA 1 39 ASP C -146.02 -36.70 -84.91 -88.33 -94.29 . . 0 "[ . 1]" 21 . 1 41 ASN C 1 42 LYS N 1 42 LYS CA 1 42 LYS C -168.64 -79.64 -154.55 -147.72 -151.14 . . 0 "[ . 1]" 22 . 1 42 LYS C 1 43 TYR N 1 43 TYR CA 1 43 TYR C -132.69 -85.73 -119.02 -132.83 -133.36 1.26 5 0 "[ . 1]" 23 . 1 43 TYR C 1 44 ILE N 1 44 ILE CA 1 44 ILE C -140.55 -75.51 -82.75 -83.99 -85.67 . . 0 "[ . 1]" 24 . 1 44 ILE C 1 45 ILE N 1 45 ILE CA 1 45 ILE C -155.47 -61.75 -95.38 -126.66 -83.07 . . 0 "[ . 1]" 25 . 1 48 HIS C 1 49 ASP N 1 49 ASP CA 1 49 ASP C -119.01 -43.41 -115.32 -119.58 -94.47 0.57 2 0 "[ . 1]" 26 . 1 53 LEU C 1 54 THR N 1 54 THR CA 1 54 THR C -148.94 -74.98 -98.51 -98.15 -99.58 . . 0 "[ . 1]" 27 . 1 54 THR C 1 55 VAL N 1 55 VAL CA 1 55 VAL C -152.90 -98.70 -98.62 -105.49 -96.46 2.24 1 0 "[ . 1]" 28 . 1 55 VAL C 1 56 SER N 1 56 SER CA 1 56 SER C -168.86 -103.78 -119.36 -138.65 -106.55 . . 0 "[ . 1]" 29 . 1 56 SER C 1 57 CYS N 1 57 CYS CA 1 57 CYS C -161.99 -119.55 -140.99 -162.18 -119.32 0.23 1 0 "[ . 1]" 30 . 1 57 CYS C 1 58 THR N 1 58 THR CA 1 58 THR C -138.65 -87.77 -137.77 -129.43 -137.17 0.54 3 0 "[ . 1]" 31 . 1 58 THR C 1 59 ALA N 1 59 ALA CA 1 59 ALA C -163.00 -65.64 -110.83 -110.20 -111.36 . . 0 "[ . 1]" 32 . 1 59 ALA C 1 60 GLY N 1 60 GLY CA 1 60 GLY C 53.22 93.22 64.93 64.64 64.33 . . 0 "[ . 1]" 33 . 1 60 GLY C 1 61 ASP N 1 61 ASP CA 1 61 ASP C -117.28 -77.28 -116.34 -117.72 -112.40 0.44 7 0 "[ . 1]" 34 . 1 61 ASP C 1 62 GLN N 1 62 GLN CA 1 62 GLN C -172.91 -46.19 -115.71 -121.65 -125.48 . . 0 "[ . 1]" 35 . 1 62 GLN C 1 63 GLU N 1 63 GLU CA 1 63 GLU C -155.39 -95.03 -136.89 -129.31 -133.09 . . 0 "[ . 1]" 36 . 1 63 GLU C 1 64 HIS N 1 64 HIS CA 1 64 HIS C -164.90 -82.18 -126.60 -130.00 -132.90 . . 0 "[ . 1]" 37 . 1 64 HIS C 1 65 THR N 1 65 THR CA 1 65 THR C -151.00 -82.28 -137.74 -145.31 -128.56 . . 0 "[ . 1]" 38 . 1 65 THR C 1 66 MET N 1 66 MET CA 1 66 MET C -160.01 -82.89 -153.08 -157.68 -159.56 . . 0 "[ . 1]" 39 . 1 66 MET C 1 67 TYR N 1 67 TYR CA 1 67 TYR C -146.27 -71.75 -87.86 -102.55 -71.54 0.21 4 0 "[ . 1]" 40 . 1 67 TYR C 1 68 LEU N 1 68 LEU CA 1 68 LEU C -160.70 -84.54 -110.33 -114.17 -118.12 . . 0 "[ . 1]" 41 . 1 68 LEU C 1 69 ASN N 1 69 ASN CA 1 69 ASN C -151.23 -53.35 -131.90 -132.76 -133.24 . . 0 "[ . 1]" 42 . 1 69 ASN C 1 70 ALA N 1 70 ALA CA 1 70 ALA C -166.01 -72.17 -169.18 -169.03 -169.18 4.97 5 0 "[ . 1]" 43 . 1 71 LYS C 1 72 VAL N 1 72 VAL CA 1 72 VAL C -150.41 -98.49 -98.37 -98.38 -98.47 0.29 5 0 "[ . 1]" 44 . 1 73 GLY C 1 74 SER N 1 74 SER CA 1 74 SER C -147.08 -29.28 -111.79 -113.44 -129.13 . . 0 "[ . 1]" 45 . 1 101 LYS C 1 102 LEU N 1 102 LEU CA 1 102 LEU C -146.92 -43.48 -94.38 -135.56 -69.29 . . 0 "[ . 1]" 46 . 1 106 GLY C 1 107 LEU N 1 107 LEU CA 1 107 LEU C -159.66 -48.82 -137.11 -139.24 -145.87 0.01 3 0 "[ . 1]" 47 . 1 107 LEU C 1 108 SER N 1 108 SER CA 1 108 SER C -153.85 -65.69 -144.33 -154.12 -154.23 0.44 1 0 "[ . 1]" 48 . 1 108 SER C 1 109 MET N 1 109 MET CA 1 109 MET C -153.79 -76.19 -133.70 -154.28 -75.94 0.49 7 0 "[ . 1]" 49 . 1 109 MET C 1 110 SER N 1 110 SER CA 1 110 SER C -157.58 -87.82 -156.50 -158.76 -151.36 1.18 2 0 "[ . 1]" 50 . 1 110 SER C 1 111 VAL N 1 111 VAL CA 1 111 VAL C -149.58 -83.38 -112.81 -125.85 -96.65 . . 0 "[ . 1]" 51 . 1 111 VAL C 1 112 LYS N 1 112 LYS CA 1 112 LYS C -140.08 -93.72 -101.18 -105.02 -96.28 . . 0 "[ . 1]" 52 . 1 112 LYS C 1 113 GLU N 1 113 GLU CA 1 113 GLU C -169.38 -63.06 -126.28 -130.59 -123.44 . . 0 "[ . 1]" 53 . 1 113 GLU C 1 114 VAL N 1 114 VAL CA 1 114 VAL C -155.07 -78.55 -122.13 -149.76 -111.75 . . 0 "[ . 1]" 54 . 1 114 VAL C 1 115 SER N 1 115 SER CA 1 115 SER C -123.56 -33.56 -31.21 -31.38 -31.00 2.56 9 0 "[ . 1]" 55 . 1 115 SER C 1 116 GLY N 1 116 GLY CA 1 116 GLY C 59.60 109.60 56.95 56.78 57.20 2.82 8 0 "[ . 1]" 56 . 1 116 GLY C 1 117 LYS N 1 117 LYS CA 1 117 LYS C 178.15 -53.65 -132.97 -130.70 -132.54 . . 0 "[ . 1]" 57 . 1 117 LYS C 1 118 VAL N 1 118 VAL CA 1 118 VAL C -161.50 -64.46 -141.19 -142.06 -142.43 . . 0 "[ . 1]" 58 . 1 118 VAL C 1 119 PHE N 1 119 PHE CA 1 119 PHE C -163.60 -91.64 -104.88 -109.23 -103.00 . . 0 "[ . 1]" 59 . 1 119 PHE C 1 120 LEU N 1 120 LEU CA 1 120 LEU C -175.25 -73.65 -137.92 -124.44 -135.34 . . 0 "[ . 1]" 60 . 1 120 LEU C 1 121 GLN N 1 121 GLN CA 1 121 GLN C -168.88 -105.56 -122.90 -118.83 -123.40 . . 0 "[ . 1]" 61 . 1 121 GLN C 1 122 CYS N 1 122 CYS CA 1 122 CYS C -156.71 -106.55 -147.39 -157.71 -106.27 1.00 3 0 "[ . 1]" 62 . 1 122 CYS C 1 123 GLN N 1 123 GLN CA 1 123 GLN C -176.59 -99.87 -99.04 -103.69 -96.96 2.91 9 0 "[ . 1]" 63 . 1 134 TRP C 1 135 LYS N 1 135 LYS CA 1 135 LYS C -152.30 -115.82 -127.34 -136.44 -114.93 0.89 6 0 "[ . 1]" 64 . 1 135 LYS C 1 136 LYS N 1 136 LYS CA 1 136 LYS C 179.69 -69.71 -88.20 -95.87 -84.56 . . 0 "[ . 1]" 65 . 1 138 LYS C 1 139 GLU N 1 139 GLU CA 1 139 GLU C -151.66 -35.74 -115.29 -119.28 -113.35 . . 0 "[ . 1]" 66 . 1 140 GLU C 1 141 LEU N 1 141 LEU CA 1 141 LEU C -126.38 -55.30 -104.22 -111.29 -97.42 . . 0 "[ . 1]" 67 . 1 142 GLY C 1 143 ASN N 1 143 ASN CA 1 143 ASN C -160.25 -48.37 -51.95 -162.58 -45.70 2.67 8 0 "[ . 1]" 68 . 1 143 ASN C 1 144 MET N 1 144 MET CA 1 144 MET C -163.34 -62.66 -152.34 -152.02 -153.03 1.33 6 0 "[ . 1]" 69 . 1 145 ARG C 1 146 GLN N 1 146 GLN CA 1 146 GLN C -173.60 -88.16 -129.40 -131.96 -132.90 . . 0 "[ . 1]" 70 . 1 146 GLN C 1 147 LEU N 1 147 LEU CA 1 147 LEU C -154.02 -61.50 -68.07 -66.02 -68.20 0.05 6 0 "[ . 1]" 71 . 1 147 LEU C 1 148 ASP N 1 148 ASP CA 1 148 ASP C -130.50 -62.62 -130.13 -131.07 -128.27 0.57 2 0 "[ . 1]" 72 . 1 150 GLY C 1 151 ALA N 1 151 ALA CA 1 151 ALA C -116.35 -35.83 -116.00 -116.45 -116.51 0.37 4 0 "[ . 1]" 73 . 1 151 ALA C 1 152 ILE N 1 152 ILE CA 1 152 ILE C -79.30 -39.30 -67.34 -66.42 -69.15 . . 0 "[ . 1]" 74 . 1 152 ILE C 1 153 TYR N 1 153 TYR CA 1 153 TYR C -90.32 -50.32 -88.73 -86.81 -88.39 0.20 7 0 "[ . 1]" 75 . 1 158 GLY C 1 159 THR N 1 159 THR CA 1 159 THR C -161.67 -29.51 -86.25 -104.11 -68.03 . . 0 "[ . 1]" 76 . 1 159 THR C 1 160 TYR N 1 160 TYR CA 1 160 TYR C -151.08 -111.08 -120.16 -115.08 -118.48 . . 0 "[ . 1]" 77 . 1 160 TYR C 1 161 THR N 1 161 THR CA 1 161 THR C -158.15 -107.67 -124.17 -133.32 -114.84 . . 0 "[ . 1]" 78 . 1 161 THR C 1 162 CYS N 1 162 CYS CA 1 162 CYS C -158.96 -111.60 -132.00 -138.17 -121.25 . . 0 "[ . 1]" 79 . 1 162 CYS C 1 163 GLN N 1 163 GLN CA 1 163 GLN C -168.15 -97.87 -170.73 -170.28 -170.49 4.95 9 0 "[ . 1]" 80 . 1 166 GLU C 1 167 ASN N 1 167 ASN CA 1 167 ASN C -138.47 -48.47 -95.87 -81.20 -138.21 0.29 6 0 "[ . 1]" 81 . 1 169 ASN C 1 170 SER N 1 170 SER CA 1 170 SER C -173.36 -52.20 -70.41 -66.92 -68.72 . . 0 "[ . 1]" 82 . 1 170 SER C 1 171 THR N 1 171 THR CA 1 171 THR C -155.16 -86.44 -90.26 -92.88 -86.35 0.09 10 0 "[ . 1]" 83 . 1 9 PHE N 1 9 PHE CA 1 9 PHE C 1 10 ALA N -53.17 -6.17 -25.74 -28.69 -29.53 . . 0 "[ . 1]" 84 . 1 11 VAL N 1 11 VAL CA 1 11 VAL C 1 12 GLU N 101.71 156.43 140.71 136.48 148.31 . . 0 "[ . 1]" 85 . 1 12 GLU N 1 12 GLU CA 1 12 GLU C 1 13 ILE N 105.35 155.95 105.13 104.21 108.36 1.14 7 0 "[ . 1]" 86 . 1 13 ILE N 1 13 ILE CA 1 13 ILE C 1 14 SER N 105.10 159.70 137.37 139.61 137.64 . . 0 "[ . 1]" 87 . 1 14 SER N 1 14 SER CA 1 14 SER C 1 15 GLY N 42.74 -178.46 102.99 107.95 96.31 0.64 10 0 "[ . 1]" 88 . 1 17 THR N 1 17 THR CA 1 17 THR C 1 18 VAL N 102.85 166.81 123.91 104.34 143.02 . . 0 "[ . 1]" 89 . 1 18 VAL N 1 18 VAL CA 1 18 VAL C 1 19 THR N 101.85 143.49 131.21 137.28 135.29 0.23 5 0 "[ . 1]" 90 . 1 20 ILE N 1 20 ILE CA 1 20 ILE C 1 21 THR N 115.95 -179.01 126.48 115.38 152.29 0.57 7 0 "[ . 1]" 91 . 1 21 THR N 1 21 THR CA 1 21 THR C 1 22 CYS N 107.96 148.56 147.79 146.06 140.54 1.54 5 0 "[ . 1]" 92 . 1 22 CYS N 1 22 CYS CA 1 22 CYS C 1 23 PRO N 108.10 170.54 121.16 118.12 112.89 . . 0 "[ . 1]" 93 . 1 29 ILE N 1 29 ILE CA 1 29 ILE C 1 30 LYS N 102.88 156.12 142.85 146.21 139.93 . . 0 "[ . 1]" 94 . 1 30 LYS N 1 30 LYS CA 1 30 LYS C 1 31 TRP N 109.65 176.01 118.95 138.92 130.44 0.25 4 0 "[ . 1]" 95 . 1 31 TRP N 1 31 TRP CA 1 31 TRP C 1 32 LYS N 113.31 179.87 176.44 175.41 172.19 0.62 2 0 "[ . 1]" 96 . 1 35 PRO N 1 35 PRO CA 1 35 PRO C 1 36 ALA N -44.89 -4.89 -23.66 -25.31 -22.43 . . 0 "[ . 1]" 97 . 1 37 LEU N 1 37 LEU CA 1 37 LEU C 1 38 GLY N 45.58 141.38 44.67 45.07 44.90 1.56 7 0 "[ . 1]" 98 . 1 39 ASP N 1 39 ASP CA 1 39 ASP C 1 40 ASN N 90.56 -174.80 167.09 161.17 176.54 . . 0 "[ . 1]" 99 . 1 42 LYS N 1 42 LYS CA 1 42 LYS C 1 43 TYR N 108.24 167.52 150.04 168.50 163.26 1.49 2 0 "[ . 1]" 100 . 1 43 TYR N 1 43 TYR CA 1 43 TYR C 1 44 ILE N 101.96 151.80 102.23 100.94 107.46 1.02 9 0 "[ . 1]" 101 . 1 44 ILE N 1 44 ILE CA 1 44 ILE C 1 45 ILE N 102.15 146.15 111.56 104.61 102.48 0.63 6 0 "[ . 1]" 102 . 1 45 ILE N 1 45 ILE CA 1 45 ILE C 1 46 GLN N 109.10 159.18 130.41 121.47 140.24 . . 0 "[ . 1]" 103 . 1 49 ASP N 1 49 ASP CA 1 49 ASP C 1 50 SER N 96.98 151.82 137.86 140.08 137.80 . . 0 "[ . 1]" 104 . 1 54 THR N 1 54 THR CA 1 54 THR C 1 55 VAL N 107.95 152.15 107.70 106.49 109.97 1.46 8 0 "[ . 1]" 105 . 1 55 VAL N 1 55 VAL CA 1 55 VAL C 1 56 SER N 128.37 175.81 131.16 137.44 131.24 0.64 10 0 "[ . 1]" 106 . 1 56 SER N 1 56 SER CA 1 56 SER C 1 57 CYS N 128.94 179.78 155.47 128.15 179.94 0.79 3 0 "[ . 1]" 107 . 1 57 CYS N 1 57 CYS CA 1 57 CYS C 1 58 THR N 134.12 174.12 143.85 151.31 143.89 . . 0 "[ . 1]" 108 . 1 58 THR N 1 58 THR CA 1 58 THR C 1 59 ALA N 102.38 142.38 103.82 109.85 101.54 1.85 7 0 "[ . 1]" 109 . 1 59 ALA N 1 59 ALA CA 1 59 ALA C 1 60 GLY N 79.08 137.68 102.95 100.40 97.00 . . 0 "[ . 1]" 110 . 1 60 GLY N 1 60 GLY CA 1 60 GLY C 1 61 ASP N -143.10 -103.10 -102.53 -102.91 -102.29 0.81 5 0 "[ . 1]" 111 . 1 61 ASP N 1 61 ASP CA 1 61 ASP C 1 62 GLN N -36.48 30.68 29.33 30.03 29.04 . . 0 "[ . 1]" 112 . 1 62 GLN N 1 62 GLN CA 1 62 GLN C 1 63 GLU N 110.56 150.56 150.46 148.12 150.83 0.27 3 0 "[ . 1]" 113 . 1 63 GLU N 1 63 GLU CA 1 63 GLU C 1 64 HIS N 100.22 151.54 109.01 100.00 125.39 0.22 8 0 "[ . 1]" 114 . 1 64 HIS N 1 64 HIS CA 1 64 HIS C 1 65 THR N 101.56 141.56 140.07 141.06 133.64 0.56 7 0 "[ . 1]" 115 . 1 65 THR N 1 65 THR CA 1 65 THR C 1 66 MET N 109.76 149.76 150.44 149.98 150.87 1.11 1 0 "[ . 1]" 116 . 1 66 MET N 1 66 MET CA 1 66 MET C 1 67 TYR N 106.66 157.54 147.27 142.54 135.78 0.42 8 0 "[ . 1]" 117 . 1 67 TYR N 1 67 TYR CA 1 67 TYR C 1 68 LEU N 104.24 144.24 125.09 109.81 144.58 0.34 4 0 "[ . 1]" 118 . 1 68 LEU N 1 68 LEU CA 1 68 LEU C 1 69 ASN N 101.68 141.68 104.29 103.05 102.49 1.30 8 0 "[ . 1]" 119 . 1 69 ASN N 1 69 ASN CA 1 69 ASN C 1 70 ALA N 103.91 161.23 102.41 102.97 102.74 3.23 5 0 "[ . 1]" 120 . 1 70 ALA N 1 70 ALA CA 1 70 ALA C 1 71 LYS N 101.65 177.93 179.38 178.71 179.91 1.98 3 0 "[ . 1]" 121 . 1 72 VAL N 1 72 VAL CA 1 72 VAL C 1 73 GLY N 142.76 -177.24 142.68 142.71 142.68 0.19 10 0 "[ . 1]" 122 . 1 74 SER N 1 74 SER CA 1 74 SER C 1 75 ALA N 74.67 -168.93 120.86 74.61 -176.23 0.06 2 0 "[ . 1]" 123 . 1 102 LEU N 1 102 LEU CA 1 102 LEU C 1 103 GLY N 68.19 -166.37 129.10 68.06 -173.15 0.13 8 0 "[ . 1]" 124 . 1 107 LEU N 1 107 LEU CA 1 107 LEU C 1 108 SER N 109.89 168.73 134.21 109.51 168.78 0.38 10 0 "[ . 1]" 125 . 1 108 SER N 1 108 SER CA 1 108 SER C 1 109 MET N 108.62 160.94 140.55 150.22 143.48 0.18 2 0 "[ . 1]" 126 . 1 109 MET N 1 109 MET CA 1 109 MET C 1 110 SER N 115.19 155.19 143.38 117.96 155.41 0.22 4 0 "[ . 1]" 127 . 1 110 SER N 1 110 SER CA 1 110 SER C 1 111 VAL N 113.45 174.17 175.58 175.67 175.48 2.49 3 0 "[ . 1]" 128 . 1 111 VAL N 1 111 VAL CA 1 111 VAL C 1 112 LYS N 108.65 148.65 143.15 147.48 144.14 0.29 5 0 "[ . 1]" 129 . 1 112 LYS N 1 112 LYS CA 1 112 LYS C 1 113 GLU N 116.25 165.05 161.78 163.07 161.99 0.43 9 0 "[ . 1]" 130 . 1 113 GLU N 1 113 GLU CA 1 113 GLU C 1 114 VAL N 90.79 173.55 113.99 124.21 113.33 . . 0 "[ . 1]" 131 . 1 114 VAL N 1 114 VAL CA 1 114 VAL C 1 115 SER N 87.67 177.67 -178.02 -177.98 -178.01 4.58 5 0 "[ . 1]" 132 . 1 115 SER N 1 115 SER CA 1 115 SER C 1 116 GLY N 86.70 176.70 85.61 86.07 85.83 1.39 3 0 "[ . 1]" 133 . 1 116 GLY N 1 116 GLY CA 1 116 GLY C 1 117 LYS N -25.75 24.25 25.39 24.64 25.75 1.50 6 0 "[ . 1]" 134 . 1 117 LYS N 1 117 LYS CA 1 117 LYS C 1 118 VAL N 122.92 179.56 171.95 169.04 174.18 . . 0 "[ . 1]" 135 . 1 118 VAL N 1 118 VAL CA 1 118 VAL C 1 119 PHE N 110.62 173.54 110.29 110.00 110.57 0.62 9 0 "[ . 1]" 136 . 1 119 PHE N 1 119 PHE CA 1 119 PHE C 1 120 LEU N 134.59 174.59 173.59 157.92 176.46 1.87 10 0 "[ . 1]" 137 . 1 120 LEU N 1 120 LEU CA 1 120 LEU C 1 121 GLN N 125.46 173.42 167.07 162.03 172.08 . . 0 "[ . 1]" 138 . 1 121 GLN N 1 121 GLN CA 1 121 GLN C 1 122 CYS N 102.56 -166.04 163.62 174.21 173.28 . . 0 "[ . 1]" 139 . 1 122 CYS N 1 122 CYS CA 1 122 CYS C 1 123 GLN N 132.09 -175.79 -177.49 -178.91 178.94 3.36 9 0 "[ . 1]" 140 . 1 123 GLN N 1 123 GLN CA 1 123 GLN C 1 124 GLU N 128.91 168.91 128.71 128.78 128.65 0.42 7 0 "[ . 1]" 141 . 1 135 LYS N 1 135 LYS CA 1 135 LYS C 1 136 LYS N 118.54 159.66 115.82 115.11 116.33 3.43 6 0 "[ . 1]" 142 . 1 136 LYS N 1 136 LYS CA 1 136 LYS C 1 137 GLY N 87.39 165.55 147.02 151.29 148.50 . . 0 "[ . 1]" 143 . 1 139 GLU N 1 139 GLU CA 1 139 GLU C 1 140 GLU N 82.83 -172.45 134.26 138.60 136.12 . . 0 "[ . 1]" 144 . 1 141 LEU N 1 141 LEU CA 1 141 LEU C 1 142 GLY N 86.14 -178.62 177.56 137.62 -177.97 0.65 5 0 "[ . 1]" 145 . 1 143 ASN N 1 143 ASN CA 1 143 ASN C 1 144 MET N 128.48 168.48 134.46 128.05 142.50 0.43 6 0 "[ . 1]" 146 . 1 144 MET N 1 144 MET CA 1 144 MET C 1 145 ARG N 121.41 167.61 147.20 158.31 149.16 . . 0 "[ . 1]" 147 . 1 146 GLN N 1 146 GLN CA 1 146 GLN C 1 147 LEU N 96.95 -173.09 129.86 110.09 133.49 . . 0 "[ . 1]" 148 . 1 147 LEU N 1 147 LEU CA 1 147 LEU C 1 148 ASP N 101.17 153.45 108.00 109.30 108.77 . . 0 "[ . 1]" 149 . 1 148 ASP N 1 148 ASP CA 1 148 ASP C 1 149 LEU N 94.24 143.68 92.44 92.00 92.91 2.24 2 0 "[ . 1]" 150 . 1 151 ALA N 1 151 ALA CA 1 151 ALA C 1 152 ILE N 117.92 168.16 167.15 161.19 168.34 0.18 1 0 "[ . 1]" 151 . 1 152 ILE N 1 152 ILE CA 1 152 ILE C 1 153 TYR N -57.46 -17.46 -44.39 -40.64 -43.87 . . 0 "[ . 1]" 152 . 1 153 TYR N 1 153 TYR CA 1 153 TYR C 1 154 ASP N -37.63 12.49 -36.19 -36.94 -37.65 0.02 1 0 "[ . 1]" 153 . 1 159 THR N 1 159 THR CA 1 159 THR C 1 160 TYR N 119.13 161.85 136.22 118.15 151.38 0.98 2 0 "[ . 1]" 154 . 1 160 TYR N 1 160 TYR CA 1 160 TYR C 1 161 THR N 121.09 168.77 169.31 169.72 169.56 1.32 9 0 "[ . 1]" 155 . 1 161 THR N 1 161 THR CA 1 161 THR C 1 162 CYS N 108.48 170.72 135.91 123.00 141.17 . . 0 "[ . 1]" 156 . 1 162 CYS N 1 162 CYS CA 1 162 CYS C 1 163 GLN N 129.08 177.72 131.49 130.48 129.00 2.44 8 0 "[ . 1]" 157 . 1 163 GLN N 1 163 GLN CA 1 163 GLN C 1 164 ARG N 106.55 164.39 166.98 166.09 167.54 3.15 9 0 "[ . 1]" 158 . 1 167 ASN N 1 167 ASN CA 1 167 ASN C 1 168 VAL N -49.56 40.44 44.22 44.23 43.91 4.46 4 0 "[ . 1]" 159 . 1 170 SER N 1 170 SER CA 1 170 SER C 1 171 THR N 105.78 145.78 105.09 105.73 105.48 1.59 6 0 "[ . 1]" 160 . 1 171 THR N 1 171 THR CA 1 171 THR C 1 172 LEU N 105.07 145.07 107.69 104.65 114.15 0.42 2 0 "[ . 1]" 161 . 1 167 ASN C 1 168 VAL N 1 168 VAL CA 1 168 VAL C -143.00 -23.00 -21.67 -22.46 -20.65 2.35 6 0 "[ . 1]" 162 . 1 168 VAL N 1 168 VAL CA 1 168 VAL C 1 169 ASN N 73.00 -167.00 146.29 142.49 150.67 . . 0 "[ . 1]" stop_ save_
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