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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
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484597 |
2j5o ![]() ![]() |
cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2j5o save_dihedral_constraint_statistics_1 _TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics _TA_constraint_stats_list.Constraint_count 29 _TA_constraint_stats_list.Viol_count 62 _TA_constraint_stats_list.Viol_total 41531.92 _TA_constraint_stats_list.Viol_max 108.00 _TA_constraint_stats_list.Viol_rms 18.83 _TA_constraint_stats_list.Viol_average_all_restraints 3.58 _TA_constraint_stats_list.Viol_average_violations_only 33.49 _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 7 ASP N 1 7 ASP CA 1 7 ASP CB 1 7 ASP HB3 135.00 -135.00 153.40 141.00 172.42 . . 0 "[ . 1 . 2]" 2 . 1 8 ASP N 1 8 ASP CA 1 8 ASP CB 1 8 ASP CG 135.00 -135.00 -174.42 -172.02 -172.25 . . 0 "[ . 1 . 2]" 3 . 1 10 LEU N 1 10 LEU CA 1 10 LEU CB 1 10 LEU HB3 135.00 -135.00 174.09 172.30 175.96 . . 0 "[ . 1 . 2]" 4 . 1 11 TYR N 1 11 TYR CA 1 11 TYR CB 1 11 TYR CG 135.00 -135.00 176.85 176.32 176.18 . . 0 "[ . 1 . 2]" 5 . 1 17 PHE N 1 17 PHE CA 1 17 PHE CB 1 17 PHE CG 135.00 -135.00 153.15 151.91 151.45 . . 0 "[ . 1 . 2]" 6 . 1 21 SER N 1 21 SER CA 1 21 SER CB 1 21 SER HB2 135.00 -135.00 -164.04 -176.89 -153.57 . . 0 "[ . 1 . 2]" 7 . 1 22 ARG N 1 22 ARG CA 1 22 ARG CB 1 22 ARG HB3 135.00 -135.00 162.27 134.85 -175.27 0.15 10 0 "[ . 1 . 2]" 8 . 1 25 SER N 1 25 SER CA 1 25 SER CB 1 25 SER HB3 135.00 -135.00 -170.91 -146.00 -153.47 . . 0 "[ . 1 . 2]" 9 . 1 31 ARG N 1 31 ARG CA 1 31 ARG CB 1 31 ARG HB3 135.00 -135.00 136.48 135.42 137.80 . . 0 "[ . 1 . 2]" 10 . 1 32 LYS N 1 32 LYS CA 1 32 LYS CB 1 32 LYS CG 135.00 -135.00 -141.85 -152.20 -135.11 . . 0 "[ . 1 . 2]" 11 . 1 33 LEU N 1 33 LEU CA 1 33 LEU CB 1 33 LEU HB3 135.00 -135.00 134.36 134.65 134.49 1.05 9 0 "[ . 1 . 2]" 12 . 1 34 LYS N 1 34 LYS CA 1 34 LYS CB 1 34 LYS HB3 135.00 -135.00 167.71 154.11 172.48 . . 0 "[ . 1 . 2]" 13 . 1 37 TYR N 1 37 TYR CA 1 37 TYR CB 1 37 TYR CG 135.00 -135.00 178.70 176.31 179.72 . . 0 "[ . 1 . 2]" 14 . 1 38 ASN N 1 38 ASN CA 1 38 ASN CB 1 38 ASN HB3 135.00 -135.00 164.05 -173.66 178.25 . . 0 "[ . 1 . 2]" 15 . 1 39 ARG N 1 39 ARG CA 1 39 ARG CB 1 39 ARG CG 135.00 -135.00 167.62 166.04 169.46 . . 0 "[ . 1 . 2]" 16 . 1 43 MET N 1 43 MET CA 1 43 MET CB 1 43 MET HB3 135.00 -135.00 175.30 172.43 169.88 . . 0 "[ . 1 . 2]" 17 . 1 45 GLU N 1 43 MET CA 1 45 GLU CB 1 43 MET HB3 135.00 -135.00 -31.98 -40.51 -27.00 108.00 9 20 [********+-**********] 18 . 1 48 GLU N 1 48 GLU CA 1 48 GLU CB 1 48 GLU HB3 135.00 -135.00 138.55 134.78 134.69 0.31 1 0 "[ . 1 . 2]" 19 . 1 49 MET N 1 49 MET CA 1 49 MET CB 1 49 MET HB3 135.00 -135.00 161.95 160.65 164.75 . . 0 "[ . 1 . 2]" 20 . 1 56 MET N 1 56 MET CA 1 56 MET CB 1 56 MET HB3 135.00 -135.00 -168.25 -163.32 -164.74 . . 0 "[ . 1 . 2]" 21 . 1 62 ARG N 1 62 ARG CA 1 62 ARG CB 1 62 ARG HB3 135.00 -135.00 149.05 148.53 148.31 . . 0 "[ . 1 . 2]" 22 . 1 63 GLU N 1 63 GLU CA 1 63 GLU CB 1 63 GLU HB3 135.00 -135.00 135.57 134.74 139.42 0.26 6 0 "[ . 1 . 2]" 23 . 1 15 VAL N 1 15 VAL CA 1 15 VAL CB 1 15 VAL CG1 135.00 -135.00 156.49 149.67 160.02 . . 0 "[ . 1 . 2]" 24 . 1 18 VAL N 1 18 VAL CA 1 18 VAL CB 1 18 VAL CG1 135.00 -135.00 -176.99 177.46 -171.48 . . 0 "[ . 1 . 2]" 25 . 1 29 VAL N 1 29 VAL CA 1 29 VAL CB 1 29 VAL CG1 135.00 -135.00 -175.62 -178.24 -172.76 . . 0 "[ . 1 . 2]" 26 . 1 52 VAL N 1 52 VAL CA 1 52 VAL CB 1 52 VAL CG1 135.00 -135.00 -175.80 -172.95 -174.49 . . 0 "[ . 1 . 2]" 27 . 1 53 VAL N 1 53 VAL CA 1 53 VAL CB 1 53 VAL HB 135.00 -135.00 -172.77 -176.93 -167.84 . . 0 "[ . 1 . 2]" 28 . 1 64 VAL N 1 64 VAL CA 1 64 VAL CB 1 64 VAL CG1 135.00 -135.00 -171.80 -174.74 -168.34 . . 0 "[ . 1 . 2]" 29 . 1 70 VAL N 1 70 VAL CA 1 70 VAL CB 1 70 VAL CG1 135.00 -135.00 -165.74 -168.42 -170.12 . . 0 "[ . 1 . 2]" stop_ save_ save_dihedral_constraint_statistics_2 _TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics _TA_constraint_stats_list.Constraint_count 118 _TA_constraint_stats_list.Viol_count 516 _TA_constraint_stats_list.Viol_total 2347.19 _TA_constraint_stats_list.Viol_max 0.94 _TA_constraint_stats_list.Viol_rms 0.13 _TA_constraint_stats_list.Viol_average_all_restraints 0.05 _TA_constraint_stats_list.Viol_average_violations_only 0.23 _TA_constraint_stats_list.Cutoff_violation_report 5.00 _TA_constraint_stats_list.Details . 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 GLU C 1 7 ASP N 1 7 ASP CA 1 7 ASP C -129.00 -45.00 -126.03 -123.67 -124.01 0.13 9 0 "[ . 1 . 2]" 2 . 1 7 ASP C 1 8 ASP N 1 8 ASP CA 1 8 ASP C -121.90 -52.30 -122.45 -122.61 -122.27 0.71 6 0 "[ . 1 . 2]" 3 . 1 8 ASP C 1 9 PRO N 1 9 PRO CA 1 9 PRO C -94.50 -31.50 -36.80 -38.73 -33.82 . . 0 "[ . 1 . 2]" 4 . 1 9 PRO C 1 10 LEU N 1 10 LEU CA 1 10 LEU C -119.90 -76.90 -120.00 -120.09 -119.91 0.19 3 0 "[ . 1 . 2]" 5 . 1 10 LEU C 1 11 TYR N 1 11 TYR CA 1 11 TYR C -65.00 -48.80 -53.96 -55.88 -51.73 . . 0 "[ . 1 . 2]" 6 . 1 11 TYR C 1 12 ASP N 1 12 ASP CA 1 12 ASP C -71.40 -53.60 -53.26 -53.51 -52.93 0.67 17 0 "[ . 1 . 2]" 7 . 1 12 ASP C 1 13 GLU N 1 13 GLU CA 1 13 GLU C -70.50 -59.90 -71.00 -71.15 -70.90 0.65 4 0 "[ . 1 . 2]" 8 . 1 13 GLU C 1 14 ALA N 1 14 ALA CA 1 14 ALA C -83.20 -52.60 -62.47 -62.92 -63.58 . . 0 "[ . 1 . 2]" 9 . 1 14 ALA C 1 15 VAL N 1 15 VAL CA 1 15 VAL C -69.20 -56.40 -56.19 -56.36 -56.02 0.38 17 0 "[ . 1 . 2]" 10 . 1 15 VAL C 1 16 ARG N 1 16 ARG CA 1 16 ARG C -70.30 -54.90 -68.13 -69.16 -69.38 . . 0 "[ . 1 . 2]" 11 . 1 16 ARG C 1 17 PHE N 1 17 PHE CA 1 17 PHE C -74.00 -61.60 -67.28 -69.78 -65.15 . . 0 "[ . 1 . 2]" 12 . 1 17 PHE C 1 18 VAL N 1 18 VAL CA 1 18 VAL C -71.10 -56.30 -69.99 -71.29 -68.60 0.19 13 0 "[ . 1 . 2]" 13 . 1 18 VAL C 1 19 THR N 1 19 THR CA 1 19 THR C -70.30 -53.90 -58.27 -65.21 -53.78 0.12 6 0 "[ . 1 . 2]" 14 . 1 19 THR C 1 20 GLU N 1 20 GLU CA 1 20 GLU C -78.80 -52.00 -78.31 -78.78 -78.80 0.10 15 0 "[ . 1 . 2]" 15 . 1 20 GLU C 1 21 SER N 1 21 SER CA 1 21 SER C -110.00 -44.00 -74.95 -74.69 -75.25 . . 0 "[ . 1 . 2]" 16 . 1 23 ARG C 1 24 ALA N 1 24 ALA CA 1 24 ALA C -144.00 -84.00 -105.13 -117.76 -88.19 . . 0 "[ . 1 . 2]" 17 . 1 24 ALA C 1 25 SER N 1 25 SER CA 1 25 SER C -134.60 -75.20 -124.68 -133.94 -118.96 . . 0 "[ . 1 . 2]" 18 . 1 25 SER C 1 26 ILE N 1 26 ILE CA 1 26 ILE C -72.70 -49.10 -52.95 -53.16 -53.33 0.25 19 0 "[ . 1 . 2]" 19 . 1 26 ILE C 1 27 SER N 1 27 SER CA 1 27 SER C -68.80 -53.40 -55.71 -53.45 -53.77 0.10 4 0 "[ . 1 . 2]" 20 . 1 27 SER C 1 28 ALA N 1 28 ALA CA 1 28 ALA C -77.10 -56.50 -70.99 -73.64 -67.86 . . 0 "[ . 1 . 2]" 21 . 1 28 ALA C 1 29 VAL N 1 29 VAL CA 1 29 VAL C -71.00 -54.20 -61.97 -67.71 -56.50 . . 0 "[ . 1 . 2]" 22 . 1 29 VAL C 1 30 GLN N 1 30 GLN CA 1 30 GLN C -69.70 -50.30 -65.05 -66.50 -63.05 . . 0 "[ . 1 . 2]" 23 . 1 30 GLN C 1 31 ARG N 1 31 ARG CA 1 31 ARG C -77.50 -57.10 -69.99 -70.10 -70.62 . . 0 "[ . 1 . 2]" 24 . 1 31 ARG C 1 32 LYS N 1 32 LYS CA 1 32 LYS C -78.40 -51.00 -78.60 -78.74 -78.49 0.34 13 0 "[ . 1 . 2]" 25 . 1 32 LYS C 1 33 LEU N 1 33 LEU CA 1 33 LEU C -118.20 -76.60 -88.37 -88.33 -89.80 . . 0 "[ . 1 . 2]" 26 . 1 33 LEU C 1 34 LYS N 1 34 LYS CA 1 34 LYS C 48.50 69.50 60.18 57.41 61.71 . . 0 "[ . 1 . 2]" 27 . 1 34 LYS C 1 35 ILE N 1 35 ILE CA 1 35 ILE C -160.00 -112.00 -111.84 -112.01 -111.69 0.31 12 0 "[ . 1 . 2]" 28 . 1 35 ILE C 1 36 GLY N 1 36 GLY CA 1 36 GLY C -112.00 -64.00 -89.60 -91.87 -88.51 . . 0 "[ . 1 . 2]" 29 . 1 36 GLY C 1 37 TYR N 1 37 TYR CA 1 37 TYR C -68.00 -54.00 -56.10 -59.20 -53.98 0.02 18 0 "[ . 1 . 2]" 30 . 1 37 TYR C 1 38 ASN N 1 38 ASN CA 1 38 ASN C -73.60 -54.20 -62.41 -59.60 -61.91 . . 0 "[ . 1 . 2]" 31 . 1 38 ASN C 1 39 ARG N 1 39 ARG CA 1 39 ARG C -71.70 -54.30 -61.73 -67.18 -57.83 . . 0 "[ . 1 . 2]" 32 . 1 39 ARG C 1 40 ALA N 1 40 ALA CA 1 40 ALA C -74.50 -51.50 -56.58 -55.12 -55.99 . . 0 "[ . 1 . 2]" 33 . 1 40 ALA C 1 41 ALA N 1 41 ALA CA 1 41 ALA C -73.40 -56.20 -56.44 -59.31 -55.64 0.56 17 0 "[ . 1 . 2]" 34 . 1 41 ALA C 1 42 ARG N 1 42 ARG CA 1 42 ARG C -71.60 -59.00 -59.17 -59.00 -59.12 0.34 17 0 "[ . 1 . 2]" 35 . 1 42 ARG C 1 43 MET N 1 43 MET CA 1 43 MET C -74.80 -57.60 -64.42 -68.38 -61.71 . . 0 "[ . 1 . 2]" 36 . 1 43 MET C 1 44 ILE N 1 44 ILE CA 1 44 ILE C -78.40 -54.40 -59.36 -65.45 -54.69 . . 0 "[ . 1 . 2]" 37 . 1 44 ILE C 1 45 GLU N 1 45 GLU CA 1 45 GLU C -70.80 -51.60 -61.78 -64.99 -57.02 . . 0 "[ . 1 . 2]" 38 . 1 45 GLU C 1 46 ALA N 1 46 ALA CA 1 46 ALA C -70.80 -52.60 -58.83 -61.75 -54.76 . . 0 "[ . 1 . 2]" 39 . 1 46 ALA C 1 47 MET N 1 47 MET CA 1 47 MET C -70.80 -60.40 -66.40 -67.79 -64.96 . . 0 "[ . 1 . 2]" 40 . 1 47 MET C 1 48 GLU N 1 48 GLU CA 1 48 GLU C -81.40 -56.80 -61.85 -59.93 -61.18 . . 0 "[ . 1 . 2]" 41 . 1 48 GLU C 1 49 MET N 1 49 MET CA 1 49 MET C -81.30 -58.50 -70.00 -75.46 -66.50 . . 0 "[ . 1 . 2]" 42 . 1 49 MET C 1 50 ALA N 1 50 ALA CA 1 50 ALA C -114.50 -63.50 -69.63 -68.73 -70.14 . . 0 "[ . 1 . 2]" 43 . 1 50 ALA C 1 51 GLY N 1 51 GLY CA 1 51 GLY C 63.50 102.50 91.71 90.74 89.79 . . 0 "[ . 1 . 2]" 44 . 1 52 VAL C 1 53 VAL N 1 53 VAL CA 1 53 VAL C -149.50 -104.50 -137.11 -139.58 -133.88 . . 0 "[ . 1 . 2]" 45 . 1 53 VAL C 1 54 THR N 1 54 THR CA 1 54 THR C -159.90 -67.50 -83.38 -96.75 -72.92 . . 0 "[ . 1 . 2]" 46 . 1 54 THR C 1 55 PRO N 1 55 PRO CA 1 55 PRO C -119.10 -37.10 -59.97 -65.44 -52.12 . . 0 "[ . 1 . 2]" 47 . 1 55 PRO C 1 56 MET N 1 56 MET CA 1 56 MET C -141.00 -39.00 -63.74 -77.04 -56.56 . . 0 "[ . 1 . 2]" 48 . 1 56 MET C 1 57 ASN N 1 57 ASN CA 1 57 ASN C -105.50 -60.50 -104.49 -105.53 -105.55 0.22 12 0 "[ . 1 . 2]" 49 . 1 57 ASN C 1 58 THR N 1 58 THR CA 1 58 THR C -67.00 -51.20 -58.87 -63.18 -54.68 . . 0 "[ . 1 . 2]" 50 . 1 58 THR C 1 59 ASN N 1 59 ASN CA 1 59 ASN C -111.50 -66.50 -82.79 -83.79 -85.18 . . 0 "[ . 1 . 2]" 51 . 1 59 ASN C 1 60 GLY N 1 60 GLY CA 1 60 GLY C 61.50 112.50 100.60 91.90 108.73 . . 0 "[ . 1 . 2]" 52 . 1 60 GLY C 1 61 SER N 1 61 SER CA 1 61 SER C -127.80 -69.40 -125.75 -126.64 -127.24 0.08 1 0 "[ . 1 . 2]" 53 . 1 61 SER C 1 62 ARG N 1 62 ARG CA 1 62 ARG C -134.10 -81.70 -84.94 -94.46 -81.57 0.13 8 0 "[ . 1 . 2]" 54 . 1 62 ARG C 1 63 GLU N 1 63 GLU CA 1 63 GLU C -154.30 -65.30 -131.17 -134.14 -134.87 . . 0 "[ . 1 . 2]" 55 . 1 63 GLU C 1 64 VAL N 1 64 VAL CA 1 64 VAL C -137.20 -55.40 -108.10 -127.26 -64.92 . . 0 "[ . 1 . 2]" 56 . 1 65 ILE C 1 66 ALA N 1 66 ALA CA 1 66 ALA C -149.50 -56.50 -78.95 -75.46 -76.32 . . 0 "[ . 1 . 2]" 57 . 1 66 ALA C 1 67 PRO N 1 67 PRO CA 1 67 PRO C -85.60 -50.40 -61.52 -71.20 -50.20 0.20 16 0 "[ . 1 . 2]" 58 . 1 67 PRO C 1 68 ALA N 1 68 ALA CA 1 68 ALA C -138.00 -48.00 -97.91 -95.67 -101.41 . . 0 "[ . 1 . 2]" 59 . 1 68 ALA C 1 69 PRO N 1 69 PRO CA 1 69 PRO C -134.00 -20.00 -68.81 -56.95 -69.60 . . 0 "[ . 1 . 2]" 60 . 1 7 ASP N 1 7 ASP CA 1 7 ASP C 1 8 ASP N 96.00 180.00 95.29 95.23 95.23 0.94 9 0 "[ . 1 . 2]" 61 . 1 8 ASP N 1 8 ASP CA 1 8 ASP C 1 9 PRO N 89.40 159.00 142.61 141.52 143.48 . . 0 "[ . 1 . 2]" 62 . 1 9 PRO N 1 9 PRO CA 1 9 PRO C 1 10 LEU N -56.50 6.50 -28.97 -28.04 -28.35 . . 0 "[ . 1 . 2]" 63 . 1 10 LEU N 1 10 LEU CA 1 10 LEU C 1 11 TYR N -16.70 26.30 -17.10 -17.36 -16.85 0.66 15 0 "[ . 1 . 2]" 64 . 1 11 TYR N 1 11 TYR CA 1 11 TYR C 1 12 ASP N -54.40 -38.20 -48.25 -47.81 -48.37 . . 0 "[ . 1 . 2]" 65 . 1 12 ASP N 1 12 ASP CA 1 12 ASP C 1 13 GLU N -48.20 -30.40 -36.33 -35.73 -35.89 . . 0 "[ . 1 . 2]" 66 . 1 13 GLU N 1 13 GLU CA 1 13 GLU C 1 14 ALA N -45.40 -34.80 -42.23 -45.41 -38.50 0.01 4 0 "[ . 1 . 2]" 67 . 1 14 ALA N 1 14 ALA CA 1 14 ALA C 1 15 VAL N -55.50 -24.90 -52.97 -51.95 -52.30 . . 0 "[ . 1 . 2]" 68 . 1 15 VAL N 1 15 VAL CA 1 15 VAL C 1 16 ARG N -49.80 -37.00 -40.72 -43.02 -38.30 . . 0 "[ . 1 . 2]" 69 . 1 16 ARG N 1 16 ARG CA 1 16 ARG C 1 17 PHE N -50.90 -35.50 -36.09 -35.56 -35.71 0.39 17 0 "[ . 1 . 2]" 70 . 1 17 PHE N 1 17 PHE CA 1 17 PHE C 1 18 VAL N -45.90 -33.50 -46.01 -45.94 -46.05 0.43 13 0 "[ . 1 . 2]" 71 . 1 18 VAL N 1 18 VAL CA 1 18 VAL C 1 19 THR N -53.40 -38.60 -43.27 -45.42 -47.10 0.23 17 0 "[ . 1 . 2]" 72 . 1 19 THR N 1 19 THR CA 1 19 THR C 1 20 GLU N -52.50 -36.10 -43.57 -46.08 -40.30 . . 0 "[ . 1 . 2]" 73 . 1 20 GLU N 1 20 GLU CA 1 20 GLU C 1 21 SER N -55.00 -28.20 -38.77 -49.09 -30.36 . . 0 "[ . 1 . 2]" 74 . 1 21 SER N 1 21 SER CA 1 21 SER C 1 22 ARG N -52.00 14.00 -18.83 -33.86 -10.47 . . 0 "[ . 1 . 2]" 75 . 1 24 ALA N 1 24 ALA CA 1 24 ALA C 1 25 SER N 90.00 150.00 89.73 89.46 89.93 0.54 18 0 "[ . 1 . 2]" 76 . 1 25 SER N 1 25 SER CA 1 25 SER C 1 26 ILE N 119.00 178.40 118.55 118.31 118.85 0.69 6 0 "[ . 1 . 2]" 77 . 1 26 ILE N 1 26 ILE CA 1 26 ILE C 1 27 SER N -52.60 -29.00 -49.08 -52.70 -45.56 0.10 19 0 "[ . 1 . 2]" 78 . 1 27 SER N 1 27 SER CA 1 27 SER C 1 28 ALA N -47.70 -32.30 -40.73 -42.25 -43.03 . . 0 "[ . 1 . 2]" 79 . 1 28 ALA N 1 28 ALA CA 1 28 ALA C 1 29 VAL N -49.80 -29.20 -39.97 -42.96 -45.12 . . 0 "[ . 1 . 2]" 80 . 1 29 VAL N 1 29 VAL CA 1 29 VAL C 1 30 GLN N -54.50 -37.70 -47.83 -48.15 -49.15 . . 0 "[ . 1 . 2]" 81 . 1 30 GLN N 1 30 GLN CA 1 30 GLN C 1 31 ARG N -52.90 -33.50 -33.60 -34.12 -33.33 0.17 14 0 "[ . 1 . 2]" 82 . 1 31 ARG N 1 31 ARG CA 1 31 ARG C 1 32 LYS N -43.80 -23.40 -42.38 -43.87 -41.53 0.07 18 0 "[ . 1 . 2]" 83 . 1 32 LYS N 1 32 LYS CA 1 32 LYS C 1 33 LEU N -42.00 -14.60 -38.66 -42.18 -34.92 0.18 4 0 "[ . 1 . 2]" 84 . 1 33 LEU N 1 33 LEU CA 1 33 LEU C 1 34 LYS N -15.40 26.20 -9.74 -9.35 -9.49 . . 0 "[ . 1 . 2]" 85 . 1 34 LYS N 1 34 LYS CA 1 34 LYS C 1 35 ILE N 32.50 53.50 41.20 41.83 41.55 . . 0 "[ . 1 . 2]" 86 . 1 35 ILE N 1 35 ILE CA 1 35 ILE C 1 36 GLY N 138.00 -174.00 -174.07 -175.33 -173.78 0.22 13 0 "[ . 1 . 2]" 87 . 1 36 GLY N 1 36 GLY CA 1 36 GLY C 1 37 TYR N 143.00 -169.00 151.66 147.18 155.45 . . 0 "[ . 1 . 2]" 88 . 1 37 TYR N 1 37 TYR CA 1 37 TYR C 1 38 ASN N -46.50 -32.50 -45.79 -46.69 -42.54 0.19 15 0 "[ . 1 . 2]" 89 . 1 38 ASN N 1 38 ASN CA 1 38 ASN C 1 39 ARG N -47.80 -28.40 -46.95 -48.08 -43.59 0.28 19 0 "[ . 1 . 2]" 90 . 1 39 ARG N 1 39 ARG CA 1 39 ARG C 1 40 ALA N -50.00 -32.60 -50.18 -50.44 -49.60 0.44 20 0 "[ . 1 . 2]" 91 . 1 40 ALA N 1 40 ALA CA 1 40 ALA C 1 41 ALA N -50.50 -27.50 -49.60 -50.69 -45.88 0.19 9 0 "[ . 1 . 2]" 92 . 1 41 ALA N 1 41 ALA CA 1 41 ALA C 1 42 ARG N -48.50 -31.30 -42.06 -42.95 -43.43 . . 0 "[ . 1 . 2]" 93 . 1 42 ARG N 1 42 ARG CA 1 42 ARG C 1 43 MET N -48.40 -35.80 -47.26 -48.42 -48.49 0.13 1 0 "[ . 1 . 2]" 94 . 1 43 MET N 1 43 MET CA 1 43 MET C 1 44 ILE N -44.50 -27.30 -40.54 -36.36 -38.31 0.18 3 0 "[ . 1 . 2]" 95 . 1 44 ILE N 1 44 ILE CA 1 44 ILE C 1 45 GLU N -51.10 -27.10 -39.04 -38.77 -39.54 . . 0 "[ . 1 . 2]" 96 . 1 45 GLU N 1 45 GLU CA 1 45 GLU C 1 46 ALA N -52.60 -33.40 -44.46 -39.94 -42.71 . . 0 "[ . 1 . 2]" 97 . 1 46 ALA N 1 46 ALA CA 1 46 ALA C 1 47 MET N -52.00 -33.80 -33.67 -34.60 -33.37 0.43 6 0 "[ . 1 . 2]" 98 . 1 47 MET N 1 47 MET CA 1 47 MET C 1 48 GLU N -48.10 -37.70 -38.92 -40.77 -37.56 0.14 11 0 "[ . 1 . 2]" 99 . 1 48 GLU N 1 48 GLU CA 1 48 GLU C 1 49 MET N -54.00 -29.40 -51.55 -54.18 -45.30 0.18 2 0 "[ . 1 . 2]" 100 . 1 49 MET N 1 49 MET CA 1 49 MET C 1 50 ALA N -38.30 -15.50 -37.90 -38.49 -36.85 0.19 10 0 "[ . 1 . 2]" 101 . 1 50 ALA N 1 50 ALA CA 1 50 ALA C 1 51 GLY N -21.50 29.50 -21.55 -21.53 -21.56 0.21 7 0 "[ . 1 . 2]" 102 . 1 51 GLY N 1 51 GLY CA 1 51 GLY C 1 52 VAL N -13.50 25.50 17.45 14.14 19.79 . . 0 "[ . 1 . 2]" 103 . 1 53 VAL N 1 53 VAL CA 1 53 VAL C 1 54 THR N 135.50 -179.50 141.80 141.10 140.76 0.08 16 0 "[ . 1 . 2]" 104 . 1 54 THR N 1 54 THR CA 1 54 THR C 1 55 PRO N 96.50 -171.10 162.02 160.28 159.98 . . 0 "[ . 1 . 2]" 105 . 1 55 PRO N 1 55 PRO CA 1 55 PRO C 1 56 MET N 107.30 -170.70 167.47 163.38 178.86 . . 0 "[ . 1 . 2]" 106 . 1 56 MET N 1 56 MET CA 1 56 MET C 1 57 ASN N 99.00 -159.00 161.17 155.38 170.12 . . 0 "[ . 1 . 2]" 107 . 1 57 ASN N 1 57 ASN CA 1 57 ASN C 1 58 THR N 131.50 176.50 176.53 176.34 176.61 0.11 15 0 "[ . 1 . 2]" 108 . 1 58 THR N 1 58 THR CA 1 58 THR C 1 59 ASN N -34.70 -18.90 -31.55 -34.74 -26.99 0.04 10 0 "[ . 1 . 2]" 109 . 1 59 ASN N 1 59 ASN CA 1 59 ASN C 1 60 GLY N -17.50 27.50 -17.57 -17.55 -17.57 0.14 5 0 "[ . 1 . 2]" 110 . 1 60 GLY N 1 60 GLY CA 1 60 GLY C 1 61 SER N -13.50 37.50 30.65 23.23 37.29 . . 0 "[ . 1 . 2]" 111 . 1 61 SER N 1 61 SER CA 1 61 SER C 1 62 ARG N 123.70 -177.90 130.54 129.06 134.60 . . 0 "[ . 1 . 2]" 112 . 1 62 ARG N 1 62 ARG CA 1 62 ARG C 1 63 GLU N 118.10 170.50 170.56 170.49 170.36 0.29 13 0 "[ . 1 . 2]" 113 . 1 63 GLU N 1 63 GLU CA 1 63 GLU C 1 64 VAL N 100.20 -170.80 168.52 124.18 -170.70 0.10 20 0 "[ . 1 . 2]" 114 . 1 64 VAL N 1 64 VAL CA 1 64 VAL C 1 65 ILE N 89.90 171.70 136.48 133.70 139.19 . . 0 "[ . 1 . 2]" 115 . 1 66 ALA N 1 66 ALA CA 1 66 ALA C 1 67 PRO N 88.50 -178.50 125.06 126.03 124.51 . . 0 "[ . 1 . 2]" 116 . 1 67 PRO N 1 67 PRO CA 1 67 PRO C 1 68 ALA N 128.40 163.60 163.79 163.62 163.96 0.36 1 0 "[ . 1 . 2]" 117 . 1 68 ALA N 1 68 ALA CA 1 68 ALA C 1 69 PRO N 87.00 177.00 153.40 111.66 170.87 . . 0 "[ . 1 . 2]" 118 . 1 69 PRO N 1 69 PRO CA 1 69 PRO C 1 70 VAL N 91.00 -155.00 110.76 104.81 95.85 . . 0 "[ . 1 . 2]" stop_ save_
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