NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
570537 | 2m9u | 19299 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2m9u save_dihedral_constraint_statistics_1 _TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics _TA_constraint_stats_list.Constraint_count 147 _TA_constraint_stats_list.Viol_count 516 _TA_constraint_stats_list.Viol_total 22282.54 _TA_constraint_stats_list.Viol_max 8.82 _TA_constraint_stats_list.Viol_rms 1.06 _TA_constraint_stats_list.Viol_average_all_restraints 0.38 _TA_constraint_stats_list.Viol_average_violations_only 2.16 _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 6 HIS C 1 7 SER N 1 7 SER CA 1 7 SER C -169.90 -49.30 -123.44 -99.91 -107.06 . . 0 "[ . 1 . 2]" 2 . 1 7 SER N 1 7 SER CA 1 7 SER C 1 8 HIS N 104.00 -172.10 -177.60 167.87 -168.95 3.15 8 0 "[ . 1 . 2]" 3 . 1 7 SER C 1 8 HIS N 1 8 HIS CA 1 8 HIS C -157.30 -17.30 -71.62 -78.65 -82.09 . . 0 "[ . 1 . 2]" 4 . 1 8 HIS N 1 8 HIS CA 1 8 HIS C 1 9 MET N 83.10 159.70 147.22 101.97 163.14 3.44 15 0 "[ . 1 . 2]" 5 . 1 8 HIS C 1 9 MET N 1 9 MET CA 1 9 MET C -159.70 -48.80 -65.67 -135.10 -48.22 0.58 11 0 "[ . 1 . 2]" 6 . 1 9 MET N 1 9 MET CA 1 9 MET C 1 10 VAL N 134.00 174.00 144.80 162.36 150.34 2.77 18 0 "[ . 1 . 2]" 7 . 1 9 MET C 1 10 VAL N 1 10 VAL CA 1 10 VAL C -72.80 -32.80 -65.38 -60.91 -61.30 2.27 20 0 "[ . 1 . 2]" 8 . 1 10 VAL N 1 10 VAL CA 1 10 VAL C 1 11 GLY N 109.90 149.90 132.19 131.12 125.74 3.63 16 0 "[ . 1 . 2]" 9 . 1 10 VAL C 1 11 GLY N 1 11 GLY CA 1 11 GLY C 75.50 115.50 96.95 82.90 117.13 1.63 1 0 "[ . 1 . 2]" 10 . 1 11 GLY N 1 11 GLY CA 1 11 GLY C 1 12 ASP N -34.30 5.70 9.90 7.81 11.69 5.99 17 6 "[* .* * 1- * + 2]" 11 . 1 11 GLY C 1 12 ASP N 1 12 ASP CA 1 12 ASP C -140.00 0.00 -59.78 -68.00 -50.13 . . 0 "[ . 1 . 2]" 12 . 1 12 ASP N 1 12 ASP CA 1 12 ASP C 1 13 THR N 80.10 -174.90 112.64 97.74 132.10 . . 0 "[ . 1 . 2]" 13 . 1 12 ASP C 1 13 THR N 1 13 THR CA 1 13 THR C -124.80 -75.40 -73.40 -71.62 -72.09 4.09 18 0 "[ . 1 . 2]" 14 . 1 13 THR N 1 13 THR CA 1 13 THR C 1 14 VAL N 108.60 172.20 113.37 110.68 108.77 2.04 16 0 "[ . 1 . 2]" 15 . 1 13 THR C 1 14 VAL N 1 14 VAL CA 1 14 VAL C -156.60 -116.60 -134.64 -140.30 -124.58 . . 0 "[ . 1 . 2]" 16 . 1 14 VAL N 1 14 VAL CA 1 14 VAL C 1 15 TRP N 135.30 -171.40 176.26 176.50 173.86 . . 0 "[ . 1 . 2]" 17 . 1 14 VAL C 1 15 TRP N 1 15 TRP CA 1 15 TRP C -159.30 -93.50 -121.96 -131.95 -101.20 . . 0 "[ . 1 . 2]" 18 . 1 15 TRP N 1 15 TRP CA 1 15 TRP C 1 16 VAL N 120.00 160.00 148.57 130.75 158.66 . . 0 "[ . 1 . 2]" 19 . 1 15 TRP C 1 16 VAL N 1 16 VAL CA 1 16 VAL C -151.50 -111.50 -108.27 -111.12 -105.21 6.29 4 2 "[ +. - 1 . 2]" 20 . 1 16 VAL N 1 16 VAL CA 1 16 VAL C 1 17 ARG N 106.00 165.40 107.43 102.48 115.41 3.52 19 0 "[ . 1 . 2]" 21 . 1 16 VAL C 1 17 ARG N 1 17 ARG CA 1 17 ARG C -160.20 -43.00 -81.09 -79.01 -81.12 . . 0 "[ . 1 . 2]" 22 . 1 17 ARG N 1 17 ARG CA 1 17 ARG C 1 18 ARG N 94.20 147.50 103.71 137.83 123.77 3.59 5 0 "[ . 1 . 2]" 23 . 1 20 GLN C 1 21 THR N 1 21 THR CA 1 21 THR C -169.50 -65.20 -115.55 -148.32 -66.34 . . 0 "[ . 1 . 2]" 24 . 1 21 THR N 1 21 THR CA 1 21 THR C 1 22 LYS N 89.60 -130.40 152.01 125.00 94.01 4.17 1 0 "[ . 1 . 2]" 25 . 1 21 THR C 1 22 LYS N 1 22 LYS CA 1 22 LYS C -107.80 -35.90 -75.71 -85.83 -107.81 6.36 1 1 "[+ . 1 . 2]" 26 . 1 22 LYS N 1 22 LYS CA 1 22 LYS C 1 23 ASN N -49.50 11.30 -34.39 -53.46 3.94 3.96 17 0 "[ . 1 . 2]" 27 . 1 23 ASN C 1 24 LEU N 1 24 LEU CA 1 24 LEU C -151.50 -11.50 -90.05 -80.98 -87.35 . . 0 "[ . 1 . 2]" 28 . 1 24 LEU N 1 24 LEU CA 1 24 LEU C 1 25 GLU N 78.90 -169.50 157.32 113.59 179.38 . . 0 "[ . 1 . 2]" 29 . 1 24 LEU C 1 25 GLU N 1 25 GLU CA 1 25 GLU C -116.70 -53.80 -70.88 -61.46 -62.87 . . 0 "[ . 1 . 2]" 30 . 1 25 GLU N 1 25 GLU CA 1 25 GLU C 1 26 PRO N 114.40 175.20 144.06 152.25 149.80 . . 0 "[ . 1 . 2]" 31 . 1 27 ARG C 1 28 TRP N 1 28 TRP CA 1 28 TRP C -170.90 -52.80 -86.35 -146.21 -68.27 . . 0 "[ . 1 . 2]" 32 . 1 28 TRP N 1 28 TRP CA 1 28 TRP C 1 29 LYS N 113.10 171.40 150.65 163.34 158.50 . . 0 "[ . 1 . 2]" 33 . 1 28 TRP C 1 29 LYS N 1 29 LYS CA 1 29 LYS C -150.90 -101.00 -128.67 -141.07 -113.04 . . 0 "[ . 1 . 2]" 34 . 1 29 LYS N 1 29 LYS CA 1 29 LYS C 1 30 GLY N 124.10 -179.30 152.65 157.42 153.26 . . 0 "[ . 1 . 2]" 35 . 1 29 LYS C 1 30 GLY N 1 30 GLY CA 1 30 GLY C 166.90 -53.10 -170.56 170.09 -151.90 . . 0 "[ . 1 . 2]" 36 . 1 30 GLY N 1 30 GLY CA 1 30 GLY C 1 31 PRO N 70.50 -157.60 -178.83 164.99 -159.98 . . 0 "[ . 1 . 2]" 37 . 1 31 PRO C 1 32 TYR N 1 32 TYR CA 1 32 TYR C 155.70 -64.30 -94.67 -137.01 -64.69 . . 0 "[ . 1 . 2]" 38 . 1 32 TYR N 1 32 TYR CA 1 32 TYR C 1 33 THR N 114.00 178.50 167.63 174.10 171.13 0.83 9 0 "[ . 1 . 2]" 39 . 1 32 TYR C 1 33 THR N 1 33 THR CA 1 33 THR C -160.70 -58.50 -137.75 -152.27 -107.08 . . 0 "[ . 1 . 2]" 40 . 1 33 THR N 1 33 THR CA 1 33 THR C 1 34 VAL N 114.40 154.40 113.14 115.79 114.02 3.91 13 0 "[ . 1 . 2]" 41 . 1 33 THR C 1 34 VAL N 1 34 VAL CA 1 34 VAL C -98.90 -58.90 -73.02 -73.38 -73.95 . . 0 "[ . 1 . 2]" 42 . 1 34 VAL N 1 34 VAL CA 1 34 VAL C 1 35 LEU N 108.70 148.70 128.55 133.07 130.71 . . 0 "[ . 1 . 2]" 43 . 1 34 VAL C 1 35 LEU N 1 35 LEU CA 1 35 LEU C -112.40 -71.00 -100.93 -113.02 -90.34 0.62 6 0 "[ . 1 . 2]" 44 . 1 35 LEU N 1 35 LEU CA 1 35 LEU C 1 36 LEU N -58.60 -18.60 -36.79 -58.66 -18.37 0.23 18 0 "[ . 1 . 2]" 45 . 1 35 LEU C 1 36 LEU N 1 36 LEU CA 1 36 LEU C 130.80 -89.20 -140.22 -142.89 -145.24 . . 0 "[ . 1 . 2]" 46 . 1 36 LEU N 1 36 LEU CA 1 36 LEU C 1 37 THR N 142.00 -170.90 145.90 137.36 159.20 4.64 11 0 "[ . 1 . 2]" 47 . 1 36 LEU C 1 37 THR N 1 37 THR CA 1 37 THR C -167.50 -105.70 -120.75 -139.38 -104.63 1.07 12 0 "[ . 1 . 2]" 48 . 1 37 THR N 1 37 THR CA 1 37 THR C 1 38 THR N 129.90 174.40 136.50 128.44 163.70 1.46 2 0 "[ . 1 . 2]" 49 . 1 37 THR C 1 38 THR N 1 38 THR CA 1 38 THR C -157.40 -61.80 -134.86 -127.54 -133.39 . . 0 "[ . 1 . 2]" 50 . 1 38 THR N 1 38 THR CA 1 38 THR C 1 39 PRO N 71.60 -175.50 156.25 158.03 149.31 . . 0 "[ . 1 . 2]" 51 . 1 39 PRO N 1 39 PRO CA 1 39 PRO C 1 40 THR N 109.70 166.00 112.84 114.96 111.44 3.41 1 0 "[ . 1 . 2]" 52 . 1 40 THR C 1 41 ALA N 1 41 ALA CA 1 41 ALA C -163.00 -109.90 -148.15 -152.23 -153.42 . . 0 "[ . 1 . 2]" 53 . 1 41 ALA N 1 41 ALA CA 1 41 ALA C 1 42 LEU N 125.00 -175.70 130.08 134.18 129.44 5.36 17 1 "[ . 1 . + 2]" 54 . 1 41 ALA C 1 42 LEU N 1 42 LEU CA 1 42 LEU C 169.90 -86.30 -115.79 -138.80 -99.75 . . 0 "[ . 1 . 2]" 55 . 1 42 LEU N 1 42 LEU CA 1 42 LEU C 1 43 LYS N 122.30 175.10 125.37 119.23 134.45 3.07 17 0 "[ . 1 . 2]" 56 . 1 42 LEU C 1 43 LYS N 1 43 LYS CA 1 43 LYS C -148.20 -88.10 -85.64 -84.95 -85.44 4.63 16 0 "[ . 1 . 2]" 57 . 1 43 LYS N 1 43 LYS CA 1 43 LYS C 1 44 VAL N 111.20 168.00 108.88 106.57 113.38 4.63 17 0 "[ . 1 . 2]" 58 . 1 43 LYS C 1 44 VAL N 1 44 VAL CA 1 44 VAL C -168.20 -87.90 -104.54 -110.40 -113.34 1.41 13 0 "[ . 1 . 2]" 59 . 1 44 VAL N 1 44 VAL CA 1 44 VAL C 1 45 ASP N 131.10 -175.90 148.84 149.93 149.22 . . 0 "[ . 1 . 2]" 60 . 1 44 VAL C 1 45 ASP N 1 45 ASP CA 1 45 ASP C -105.80 -16.00 -65.38 -71.99 -59.55 . . 0 "[ . 1 . 2]" 61 . 1 45 ASP N 1 45 ASP CA 1 45 ASP C 1 46 GLY N 111.70 151.70 132.51 140.85 139.10 . . 0 "[ . 1 . 2]" 62 . 1 45 ASP C 1 46 GLY N 1 46 GLY CA 1 46 GLY C 77.30 117.60 95.53 86.12 109.44 . . 0 "[ . 1 . 2]" 63 . 1 46 GLY N 1 46 GLY CA 1 46 GLY C 1 47 ILE N -37.50 3.10 -12.60 2.93 -0.93 1.46 2 0 "[ . 1 . 2]" 64 . 1 46 GLY C 1 47 ILE N 1 47 ILE CA 1 47 ILE C -119.60 -53.90 -92.54 -117.13 -74.53 . . 0 "[ . 1 . 2]" 65 . 1 47 ILE N 1 47 ILE CA 1 47 ILE C 1 48 ALA N 71.00 -149.00 149.03 137.54 159.06 . . 0 "[ . 1 . 2]" 66 . 1 47 ILE C 1 48 ALA N 1 48 ALA CA 1 48 ALA C -85.50 -33.20 -56.65 -57.04 -57.58 . . 0 "[ . 1 . 2]" 67 . 1 48 ALA N 1 48 ALA CA 1 48 ALA C 1 49 ALA N -49.80 -3.10 -50.32 -52.13 -46.07 2.33 16 0 "[ . 1 . 2]" 68 . 1 48 ALA C 1 49 ALA N 1 49 ALA CA 1 49 ALA C -148.70 -64.90 -150.80 -151.42 -152.08 5.42 16 1 "[ . 1 .+ 2]" 69 . 1 49 ALA N 1 49 ALA CA 1 49 ALA C 1 50 TRP N -51.90 53.30 -57.53 -57.61 -58.03 8.82 8 14 "[* **- +** ***** * *]" 70 . 1 49 ALA C 1 50 TRP N 1 50 TRP CA 1 50 TRP C -140.30 -30.30 -142.82 -146.42 -135.50 6.12 18 3 "[ * - 1 . + 2]" 71 . 1 50 TRP N 1 50 TRP CA 1 50 TRP C 1 51 ILE N 102.00 156.20 151.18 153.30 150.03 2.45 5 0 "[ . 1 . 2]" 72 . 1 50 TRP C 1 51 ILE N 1 51 ILE CA 1 51 ILE C -126.40 -62.10 -116.12 -129.34 -94.72 2.94 19 0 "[ . 1 . 2]" 73 . 1 51 ILE N 1 51 ILE CA 1 51 ILE C 1 52 HIS N 87.80 173.80 129.18 117.09 139.95 . . 0 "[ . 1 . 2]" 74 . 1 52 HIS C 1 53 ALA N 1 53 ALA CA 1 53 ALA C -84.20 -44.20 -55.41 -55.41 -56.15 . . 0 "[ . 1 . 2]" 75 . 1 53 ALA N 1 53 ALA CA 1 53 ALA C 1 54 ALA N -59.50 -19.50 -26.64 -43.30 -18.69 0.81 1 0 "[ . 1 . 2]" 76 . 1 53 ALA C 1 54 ALA N 1 54 ALA CA 1 54 ALA C -88.10 -48.10 -69.13 -80.27 -58.40 . . 0 "[ . 1 . 2]" 77 . 1 54 ALA N 1 54 ALA CA 1 54 ALA C 1 55 HIS N -38.00 9.50 -14.72 -15.67 -19.79 0.36 17 0 "[ . 1 . 2]" 78 . 1 55 HIS C 1 56 VAL N 1 56 VAL CA 1 56 VAL C -158.50 -101.20 -118.20 -139.15 -96.60 4.60 14 0 "[ . 1 . 2]" 79 . 1 56 VAL N 1 56 VAL CA 1 56 VAL C 1 57 LYS N 125.60 166.70 135.84 124.34 152.14 1.26 3 0 "[ . 1 . 2]" 80 . 1 56 VAL C 1 57 LYS N 1 57 LYS CA 1 57 LYS C -173.00 -95.90 -129.77 -146.41 -151.96 . . 0 "[ . 1 . 2]" 81 . 1 57 LYS N 1 57 LYS CA 1 57 LYS C 1 58 ALA N 112.10 -174.80 126.51 133.64 132.93 2.11 7 0 "[ . 1 . 2]" 82 . 1 57 LYS C 1 58 ALA N 1 58 ALA CA 1 58 ALA C -99.10 -57.70 -63.85 -77.68 -57.46 0.24 7 0 "[ . 1 . 2]" 83 . 1 58 ALA N 1 58 ALA CA 1 58 ALA C 1 59 ALA N 107.90 -174.90 125.78 106.51 151.72 1.39 6 0 "[ . 1 . 2]" 84 . 1 58 ALA C 1 59 ALA N 1 59 ALA CA 1 59 ALA C -171.40 -31.40 -109.18 -166.05 -81.42 . . 0 "[ . 1 . 2]" 85 . 1 59 ALA N 1 59 ALA CA 1 59 ALA C 1 60 ASP N 101.70 164.20 148.36 114.94 169.33 5.13 20 1 "[ . 1 . +]" 86 . 1 59 ALA C 1 60 ASP N 1 60 ASP CA 1 60 ASP C -102.30 -45.70 -86.71 -89.64 -92.45 1.17 16 0 "[ . 1 . 2]" 87 . 1 60 ASP N 1 60 ASP CA 1 60 ASP C 1 61 PRO N 66.20 175.40 114.56 121.25 119.16 . . 0 "[ . 1 . 2]" 88 . 1 61 PRO N 1 61 PRO CA 1 61 PRO C 1 62 GLY N -46.20 2.30 -13.10 -43.46 4.76 2.46 3 0 "[ . 1 . 2]" 89 . 1 12 ASP N 1 12 ASP CA 1 12 ASP CB 1 12 ASP CG 170.00 -170.00 -172.99 -172.73 -173.12 1.35 10 0 "[ . 1 . 2]" 90 . 1 12 ASP CA 1 12 ASP CB 1 12 ASP CG 1 12 ASP OD1 -10.00 0.00 2.78 -6.24 5.83 5.83 16 3 "[- * 1 .+ 2]" 91 . 1 45 ASP N 1 45 ASP CA 1 45 ASP CB 1 45 ASP CG 170.00 -170.00 -178.19 177.30 177.08 . . 0 "[ . 1 . 2]" 92 . 1 60 ASP N 1 60 ASP CA 1 60 ASP CB 1 60 ASP CG 170.00 -170.00 -171.84 -169.78 -170.33 1.49 4 0 "[ . 1 . 2]" 93 . 1 60 ASP CA 1 60 ASP CB 1 60 ASP CG 1 60 ASP OD1 -10.00 0.00 -1.91 -13.57 3.93 3.93 1 0 "[ . 1 . 2]" 94 . 1 22 LYS N 1 22 LYS CA 1 22 LYS CB 1 22 LYS CG -70.00 -50.00 -57.94 -64.22 -53.28 . . 0 "[ . 1 . 2]" 95 . 1 22 LYS CA 1 22 LYS CB 1 22 LYS CG 1 22 LYS CD 170.00 -170.00 179.80 170.47 -172.68 . . 0 "[ . 1 . 2]" 96 . 1 29 LYS N 1 29 LYS CA 1 29 LYS CB 1 29 LYS CG -70.00 -50.00 -62.48 -70.04 -51.96 0.04 15 0 "[ . 1 . 2]" 97 . 1 29 LYS CA 1 29 LYS CB 1 29 LYS CG 1 29 LYS CD 170.00 -170.00 -176.78 172.87 -167.03 2.97 15 0 "[ . 1 . 2]" 98 . 1 32 TYR N 1 32 TYR CA 1 32 TYR CB 1 32 TYR CG -70.00 -50.00 -72.02 -69.23 -70.54 4.83 18 0 "[ . 1 . 2]" 99 . 1 32 TYR CA 1 32 TYR CB 1 32 TYR CG 1 32 TYR CD1 -120.00 -80.00 -95.62 -108.03 -81.82 . . 0 "[ . 1 . 2]" 100 . 1 43 LYS N 1 43 LYS CA 1 43 LYS CB 1 43 LYS CG 170.00 -170.00 179.29 172.52 -170.32 . . 0 "[ . 1 . 2]" 101 . 1 43 LYS CA 1 43 LYS CB 1 43 LYS CG 1 43 LYS CD 170.00 -170.00 177.66 167.19 -172.42 2.81 12 0 "[ . 1 . 2]" 102 . 1 17 ARG N 1 17 ARG CA 1 17 ARG CB 1 17 ARG CG 170.00 -170.00 -178.01 170.09 -169.28 0.72 5 0 "[ . 1 . 2]" 103 . 1 17 ARG CA 1 17 ARG CB 1 17 ARG CG 1 17 ARG CD 170.00 -170.00 -179.08 168.53 -171.17 1.47 20 0 "[ . 1 . 2]" 104 . 1 18 ARG N 1 18 ARG CA 1 18 ARG CB 1 18 ARG CG 170.00 -170.00 -177.94 171.01 -169.63 0.37 18 0 "[ . 1 . 2]" 105 . 1 18 ARG CA 1 18 ARG CB 1 18 ARG CG 1 18 ARG CD 170.00 -170.00 177.83 168.64 -175.85 1.36 19 0 "[ . 1 . 2]" 106 . 1 86 ARG CA 1 86 ARG CB 1 86 ARG CG 1 86 ARG CD 170.00 -170.00 -177.07 -168.60 -169.17 3.36 16 0 "[ . 1 . 2]" 107 . 1 72 ARG CA 1 72 ARG CB 1 72 ARG CG 1 72 ARG CD 170.00 -170.00 -179.00 171.01 -169.27 0.73 7 0 "[ . 1 . 2]" 108 . 1 57 LYS CA 1 57 LYS CB 1 57 LYS CG 1 57 LYS CD 170.00 -170.00 -175.88 170.26 -168.20 1.80 1 0 "[ . 1 . 2]" 109 . 1 83 ARG CA 1 83 ARG CB 1 83 ARG CG 1 83 ARG CD 170.00 -170.00 -179.72 178.63 177.13 3.65 19 0 "[ . 1 . 2]" 110 . 1 50 TRP N 1 50 TRP CA 1 50 TRP CB 1 50 TRP CG -70.00 -50.00 -65.62 -66.86 -68.27 3.09 18 0 "[ . 1 . 2]" 111 . 1 50 TRP CA 1 50 TRP CB 1 50 TRP CG 1 50 TRP CD1 -120.00 -80.00 -79.19 -79.02 -79.40 4.09 9 0 "[ . 1 . 2]" 112 . 1 24 LEU N 1 24 LEU CA 1 24 LEU CB 1 24 LEU CG -70.00 -50.00 -61.59 -70.60 -52.57 0.60 8 0 "[ . 1 . 2]" 113 . 1 24 LEU CA 1 24 LEU CB 1 24 LEU CG 1 24 LEU CD1 170.00 -170.00 179.94 178.91 178.38 . . 0 "[ . 1 . 2]" 114 . 1 9 MET N 1 9 MET CA 1 9 MET CB 1 9 MET CG 50.00 70.00 62.68 57.11 71.40 1.40 16 0 "[ . 1 . 2]" 115 . 1 9 MET CA 1 9 MET CB 1 9 MET CG 1 9 MET SD 170.00 -170.00 178.45 -169.13 -175.86 1.21 16 0 "[ . 1 . 2]" 116 . 1 15 TRP N 1 15 TRP CA 1 15 TRP CB 1 15 TRP CG -70.00 -50.00 -65.21 -63.70 -63.73 . . 0 "[ . 1 . 2]" 117 . 1 15 TRP CA 1 15 TRP CB 1 15 TRP CG 1 15 TRP CD1 -30.00 0.00 -29.47 -32.98 -20.85 2.98 16 0 "[ . 1 . 2]" 118 . 1 28 TRP N 1 28 TRP CA 1 28 TRP CB 1 28 TRP CG 50.00 70.00 60.85 52.08 67.74 . . 0 "[ . 1 . 2]" 119 . 1 28 TRP CA 1 28 TRP CB 1 28 TRP CG 1 28 TRP CD1 -100.00 -80.00 -91.14 -98.96 -83.50 . . 0 "[ . 1 . 2]" 120 . 1 82 ILE CA 1 82 ILE CB 1 82 ILE CG1 1 82 ILE CD1 160.00 180.00 175.42 164.94 -179.41 0.59 16 0 "[ . 1 . 2]" 121 . 1 82 ILE N 1 82 ILE CA 1 82 ILE CB 1 82 ILE CG1 50.00 70.00 59.84 70.28 66.51 0.64 2 0 "[ . 1 . 2]" 122 . 1 47 ILE CA 1 47 ILE CB 1 47 ILE CG1 1 47 ILE CD1 -70.00 -50.00 -57.90 -62.40 -51.70 . . 0 "[ . 1 . 2]" 123 . 1 47 ILE N 1 47 ILE CA 1 47 ILE CB 1 47 ILE CG1 -70.00 -50.00 -59.98 -58.30 -59.27 . . 0 "[ . 1 . 2]" 124 . 1 51 ILE CA 1 51 ILE CB 1 51 ILE CG1 1 51 ILE CD1 -70.00 -50.00 -62.85 -65.50 -58.47 . . 0 "[ . 1 . 2]" 125 . 1 51 ILE N 1 51 ILE CA 1 51 ILE CB 1 51 ILE CG1 -70.00 -50.00 -66.17 -66.49 -66.86 . . 0 "[ . 1 . 2]" 126 . 1 69 LEU N 1 69 LEU CA 1 69 LEU CB 1 69 LEU CG -70.00 -50.00 -59.48 -70.98 -52.52 0.98 13 0 "[ . 1 . 2]" 127 . 1 69 LEU CA 1 69 LEU CB 1 69 LEU CG 1 69 LEU CD1 170.00 -170.00 179.33 174.48 -175.95 . . 0 "[ . 1 . 2]" 128 . 1 42 LEU N 1 42 LEU CA 1 42 LEU CB 1 42 LEU CG -70.00 -50.00 -54.61 -65.34 -47.01 2.99 3 0 "[ . 1 . 2]" 129 . 1 42 LEU CA 1 42 LEU CB 1 42 LEU CG 1 42 LEU CD1 170.00 -170.00 -176.92 -175.12 -175.63 . . 0 "[ . 1 . 2]" 130 . 1 80 LEU CA 1 80 LEU CB 1 80 LEU CG 1 80 LEU CD1 170.00 -170.00 177.64 169.99 -169.81 0.19 1 0 "[ . 1 . 2]" 131 . 1 80 LEU N 1 80 LEU CA 1 80 LEU CB 1 80 LEU CG -70.00 -50.00 -60.27 -69.16 -53.57 . . 0 "[ . 1 . 2]" 132 . 1 35 LEU CA 1 35 LEU CB 1 35 LEU CG 1 35 LEU CD1 170.00 -170.00 179.60 179.24 178.74 . . 0 "[ . 1 . 2]" 133 . 1 35 LEU N 1 35 LEU CA 1 35 LEU CB 1 35 LEU CG -70.00 -50.00 -56.47 -58.44 -59.35 . . 0 "[ . 1 . 2]" 134 . 1 36 LEU N 1 36 LEU CA 1 36 LEU CB 1 36 LEU CG 170.00 -170.00 -179.64 -176.13 -178.38 2.30 20 0 "[ . 1 . 2]" 135 . 1 36 LEU CA 1 36 LEU CB 1 36 LEU CG 1 36 LEU CD1 50.00 70.00 65.43 67.30 65.87 1.18 13 0 "[ . 1 . 2]" 136 . 1 84 LEU N 1 84 LEU CA 1 84 LEU CB 1 84 LEU CG -70.00 -50.00 -58.87 -62.32 -62.75 . . 0 "[ . 1 . 2]" 137 . 1 84 LEU CA 1 84 LEU CB 1 84 LEU CG 1 84 LEU CD1 170.00 -170.00 178.84 175.56 -174.45 . . 0 "[ . 1 . 2]" 138 . 1 25 GLU N 1 25 GLU CA 1 25 GLU CB 1 25 GLU CG -70.00 -50.00 -60.18 -66.97 -54.01 . . 0 "[ . 1 . 2]" 139 . 1 25 GLU CA 1 25 GLU CB 1 25 GLU CG 1 25 GLU CD 170.00 -170.00 -179.22 -172.84 -177.62 0.53 14 0 "[ . 1 . 2]" 140 . 1 27 ARG N 1 27 ARG CA 1 27 ARG CB 1 27 ARG CG 170.00 -170.00 -177.25 175.72 -169.22 0.78 13 0 "[ . 1 . 2]" 141 . 1 27 ARG CA 1 27 ARG CB 1 27 ARG CG 1 27 ARG CD 170.00 -170.00 177.63 169.81 -174.68 0.19 13 0 "[ . 1 . 2]" 142 . 1 52 HIS N 1 52 HIS CA 1 52 HIS CB 1 52 HIS CG 170.00 -170.00 -169.88 -171.97 -172.89 5.54 15 1 "[ . 1 + 2]" 143 . 1 52 HIS CA 1 52 HIS CB 1 52 HIS CG 1 52 HIS ND1 -80.00 -50.00 -81.37 -81.77 -82.32 4.05 12 0 "[ . 1 . 2]" 144 . 1 55 HIS N 1 55 HIS CA 1 55 HIS CB 1 55 HIS CG -80.00 -50.00 -64.42 -74.16 -56.83 . . 0 "[ . 1 . 2]" 145 . 1 55 HIS CA 1 55 HIS CB 1 55 HIS CG 1 55 HIS ND1 -80.00 -50.00 -72.26 -68.92 -71.39 2.09 15 0 "[ . 1 . 2]" 146 . 1 20 GLN N 1 20 GLN CA 1 20 GLN CB 1 20 GLN CG -80.00 -50.00 -59.40 -57.31 -57.68 . . 0 "[ . 1 . 2]" 147 . 1 20 GLN CA 1 20 GLN CB 1 20 GLN CG 1 20 GLN CD -80.00 -50.00 -60.33 -73.86 -50.30 . . 0 "[ . 1 . 2]" stop_ save_
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