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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 | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
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387138 |
1m8l ![]() ![]() |
4257 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_1m8l save_distance_constraint_statistics_1 _TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics _TA_constraint_stats_list.Constraint_count 184 _TA_constraint_stats_list.Viol_count 47 _TA_constraint_stats_list.Viol_total 22.05 _TA_constraint_stats_list.Viol_max 2.43 _TA_constraint_stats_list.Viol_rms 0.32 _TA_constraint_stats_list.Viol_average_all_restraints 0.12 _TA_constraint_stats_list.Viol_average_violations_only 0.47 _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 MET CA 1 1 MET C 1 2 GLU N 1 2 GLU CA 175.00 -175.00 176.43 176.43 176.43 . . 0 "[ ]" 2 . 1 1 MET O 1 1 MET C 1 2 GLU N 1 2 GLU H 175.00 -175.00 -179.77 -179.77 -179.77 . . 0 "[ ]" 3 . 1 2 GLU CA 1 2 GLU C 1 3 GLN N 1 3 GLN CA 175.00 -175.00 177.34 177.34 177.34 . . 0 "[ ]" 4 . 1 2 GLU O 1 2 GLU C 1 3 GLN N 1 3 GLN H 175.00 -175.00 179.82 179.82 179.82 . . 0 "[ ]" 5 . 1 3 GLN CA 1 3 GLN C 1 4 ALA N 1 4 ALA CA 175.00 -175.00 -174.62 -174.62 -174.62 0.38 1 0 "[ ]" 6 . 1 3 GLN O 1 3 GLN C 1 4 ALA N 1 4 ALA H 175.00 -175.00 -178.07 -178.07 -178.07 . . 0 "[ ]" 7 . 1 4 ALA CA 1 4 ALA C 1 5 PRO N 1 5 PRO CA 175.00 -175.00 174.84 174.84 174.84 0.16 1 0 "[ ]" 8 . 1 5 PRO CA 1 5 PRO C 1 6 GLU N 1 6 GLU CA 175.00 -175.00 175.02 175.02 175.02 . . 0 "[ ]" 9 . 1 5 PRO O 1 5 PRO C 1 6 GLU N 1 6 GLU H 175.00 -175.00 179.46 179.46 179.46 . . 0 "[ ]" 10 . 1 6 GLU CA 1 6 GLU C 1 7 ASP N 1 7 ASP CA 175.00 -175.00 176.60 176.60 176.60 . . 0 "[ ]" 11 . 1 6 GLU O 1 6 GLU C 1 7 ASP N 1 7 ASP H 175.00 -175.00 -178.82 -178.82 -178.82 . . 0 "[ ]" 12 . 1 7 ASP CA 1 7 ASP C 1 8 GLN N 1 8 GLN CA 175.00 -175.00 -178.49 -178.49 -178.49 . . 0 "[ ]" 13 . 1 7 ASP O 1 7 ASP C 1 8 GLN N 1 8 GLN H 175.00 -175.00 177.66 177.66 177.66 . . 0 "[ ]" 14 . 1 8 GLN CA 1 8 GLN C 1 9 GLY N 1 9 GLY CA 175.00 -175.00 174.91 174.91 174.91 0.09 1 0 "[ ]" 15 . 1 8 GLN O 1 8 GLN C 1 9 GLY N 1 9 GLY H 175.00 -175.00 177.65 177.65 177.65 . . 0 "[ ]" 16 . 1 9 GLY CA 1 9 GLY C 1 10 PRO N 1 10 PRO CA 175.00 -175.00 178.40 178.40 178.40 . . 0 "[ ]" 17 . 1 10 PRO CA 1 10 PRO C 1 11 GLN N 1 11 GLN CA 175.00 -175.00 -174.94 -174.94 -174.94 0.06 1 0 "[ ]" 18 . 1 10 PRO O 1 10 PRO C 1 11 GLN N 1 11 GLN H 175.00 -175.00 179.80 179.80 179.80 . . 0 "[ ]" 19 . 1 11 GLN CA 1 11 GLN C 1 12 ARG N 1 12 ARG CA 175.00 -175.00 -174.96 -174.96 -174.96 0.04 1 0 "[ ]" 20 . 1 11 GLN O 1 11 GLN C 1 12 ARG N 1 12 ARG H 175.00 -175.00 178.57 178.57 178.57 . . 0 "[ ]" 21 . 1 12 ARG CA 1 12 ARG C 1 13 GLU N 1 13 GLU CA 175.00 -175.00 174.20 174.20 174.20 0.80 1 0 "[ ]" 22 . 1 12 ARG O 1 12 ARG C 1 13 GLU N 1 13 GLU H 175.00 -175.00 176.63 176.63 176.63 . . 0 "[ ]" 23 . 1 13 GLU CA 1 13 GLU C 1 14 PRO N 1 14 PRO CA 175.00 -175.00 174.36 174.36 174.36 0.64 1 0 "[ ]" 24 . 1 14 PRO CA 1 14 PRO C 1 15 TYR N 1 15 TYR CA 175.00 -175.00 174.23 174.23 174.23 0.77 1 0 "[ ]" 25 . 1 14 PRO O 1 14 PRO C 1 15 TYR N 1 15 TYR H 175.00 -175.00 178.26 178.26 178.26 . . 0 "[ ]" 26 . 1 15 TYR CA 1 15 TYR C 1 16 ASN N 1 16 ASN CA 175.00 -175.00 -173.75 -173.75 -173.75 1.25 1 0 "[ ]" 27 . 1 15 TYR O 1 15 TYR C 1 16 ASN N 1 16 ASN H 175.00 -175.00 -178.05 -178.05 -178.05 . . 0 "[ ]" 28 . 1 16 ASN CA 1 16 ASN C 1 17 ASP N 1 17 ASP CA 175.00 -175.00 176.88 176.88 176.88 . . 0 "[ ]" 29 . 1 16 ASN O 1 16 ASN C 1 17 ASP N 1 17 ASP H 175.00 -175.00 177.20 177.20 177.20 . . 0 "[ ]" 30 . 1 17 ASP CA 1 17 ASP C 1 18 TRP N 1 18 TRP CA 175.00 -175.00 173.70 173.70 173.70 1.30 1 0 "[ ]" 31 . 1 17 ASP O 1 17 ASP C 1 18 TRP N 1 18 TRP H 175.00 -175.00 178.64 178.64 178.64 . . 0 "[ ]" 32 . 1 18 TRP CA 1 18 TRP C 1 19 THR N 1 19 THR CA 175.00 -175.00 175.82 175.82 175.82 . . 0 "[ ]" 33 . 1 18 TRP O 1 18 TRP C 1 19 THR N 1 19 THR H 175.00 -175.00 177.82 177.82 177.82 . . 0 "[ ]" 34 . 1 19 THR CA 1 19 THR C 1 20 LEU N 1 20 LEU CA 175.00 -175.00 178.88 178.88 178.88 . . 0 "[ ]" 35 . 1 19 THR O 1 19 THR C 1 20 LEU N 1 20 LEU H 175.00 -175.00 -177.22 -177.22 -177.22 . . 0 "[ ]" 36 . 1 20 LEU CA 1 20 LEU C 1 21 GLU N 1 21 GLU CA 175.00 -175.00 175.00 175.00 175.00 . . 0 "[ ]" 37 . 1 20 LEU O 1 20 LEU C 1 21 GLU N 1 21 GLU H 175.00 -175.00 176.70 176.70 176.70 . . 0 "[ ]" 38 . 1 21 GLU CA 1 21 GLU C 1 22 LEU N 1 22 LEU CA 175.00 -175.00 176.98 176.98 176.98 . . 0 "[ ]" 39 . 1 21 GLU O 1 21 GLU C 1 22 LEU N 1 22 LEU H 175.00 -175.00 -177.54 -177.54 -177.54 . . 0 "[ ]" 40 . 1 22 LEU CA 1 22 LEU C 1 23 LEU N 1 23 LEU CA 175.00 -175.00 174.39 174.39 174.39 0.61 1 0 "[ ]" 41 . 1 22 LEU O 1 22 LEU C 1 23 LEU N 1 23 LEU H 175.00 -175.00 179.40 179.40 179.40 . . 0 "[ ]" 42 . 1 23 LEU CA 1 23 LEU C 1 24 GLU N 1 24 GLU CA 175.00 -175.00 176.60 176.60 176.60 . . 0 "[ ]" 43 . 1 23 LEU O 1 23 LEU C 1 24 GLU N 1 24 GLU H 175.00 -175.00 176.64 176.64 176.64 . . 0 "[ ]" 44 . 1 24 GLU CA 1 24 GLU C 1 25 GLU N 1 25 GLU CA 175.00 -175.00 177.47 177.47 177.47 . . 0 "[ ]" 45 . 1 24 GLU O 1 24 GLU C 1 25 GLU N 1 25 GLU H 175.00 -175.00 -179.69 -179.69 -179.69 . . 0 "[ ]" 46 . 1 25 GLU CA 1 25 GLU C 1 26 LEU N 1 26 LEU CA 175.00 -175.00 -178.78 -178.78 -178.78 . . 0 "[ ]" 47 . 1 25 GLU O 1 25 GLU C 1 26 LEU N 1 26 LEU H 175.00 -175.00 -177.54 -177.54 -177.54 . . 0 "[ ]" 48 . 1 26 LEU CA 1 26 LEU C 1 27 LYS N 1 27 LYS CA 175.00 -175.00 176.98 176.98 176.98 . . 0 "[ ]" 49 . 1 26 LEU O 1 26 LEU C 1 27 LYS N 1 27 LYS H 175.00 -175.00 -178.98 -178.98 -178.98 . . 0 "[ ]" 50 . 1 27 LYS CA 1 27 LYS C 1 28 ASN N 1 28 ASN CA 175.00 -175.00 178.78 178.78 178.78 . . 0 "[ ]" 51 . 1 27 LYS O 1 27 LYS C 1 28 ASN N 1 28 ASN H 175.00 -175.00 178.03 178.03 178.03 . . 0 "[ ]" 52 . 1 28 ASN CA 1 28 ASN C 1 29 GLU N 1 29 GLU CA 175.00 -175.00 177.72 177.72 177.72 . . 0 "[ ]" 53 . 1 28 ASN O 1 28 ASN C 1 29 GLU N 1 29 GLU H 175.00 -175.00 -179.46 -179.46 -179.46 . . 0 "[ ]" 54 . 1 29 GLU CA 1 29 GLU C 1 30 ALA N 1 30 ALA CA 175.00 -175.00 -178.46 -178.46 -178.46 . . 0 "[ ]" 55 . 1 29 GLU O 1 29 GLU C 1 30 ALA N 1 30 ALA H 175.00 -175.00 179.66 179.66 179.66 . . 0 "[ ]" 56 . 1 30 ALA CA 1 30 ALA C 1 31 VAL N 1 31 VAL CA 175.00 -175.00 -173.78 -173.78 -173.78 1.22 1 0 "[ ]" 57 . 1 30 ALA O 1 30 ALA C 1 31 VAL N 1 31 VAL H 175.00 -175.00 -174.71 -174.71 -174.71 0.29 1 0 "[ ]" 58 . 1 31 VAL CA 1 31 VAL C 1 32 ARG N 1 32 ARG CA 175.00 -175.00 174.88 174.88 174.88 0.12 1 0 "[ ]" 59 . 1 31 VAL O 1 31 VAL C 1 32 ARG N 1 32 ARG H 175.00 -175.00 178.94 178.94 178.94 . . 0 "[ ]" 60 . 1 32 ARG CA 1 32 ARG C 1 33 HIS N 1 33 HIS CA 175.00 -175.00 179.97 179.97 179.97 . . 0 "[ ]" 61 . 1 32 ARG O 1 32 ARG C 1 33 HIS N 1 33 HIS H 175.00 -175.00 179.07 179.07 179.07 . . 0 "[ ]" 62 . 1 33 HIS CA 1 33 HIS C 1 34 PHE N 1 34 PHE CA 175.00 -175.00 -173.77 -173.77 -173.77 1.23 1 0 "[ ]" 63 . 1 33 HIS O 1 33 HIS C 1 34 PHE N 1 34 PHE H 175.00 -175.00 -175.96 -175.96 -175.96 . . 0 "[ ]" 64 . 1 34 PHE CA 1 34 PHE C 1 35 PRO N 1 35 PRO CA 175.00 -175.00 179.01 179.01 179.01 . . 0 "[ ]" 65 . 1 35 PRO CA 1 35 PRO C 1 36 ARG N 1 36 ARG CA 175.00 -175.00 -174.05 -174.05 -174.05 0.95 1 0 "[ ]" 66 . 1 35 PRO O 1 35 PRO C 1 36 ARG N 1 36 ARG H 175.00 -175.00 178.86 178.86 178.86 . . 0 "[ ]" 67 . 1 36 ARG CA 1 36 ARG C 1 37 ILE N 1 37 ILE CA 175.00 -175.00 -174.56 -174.56 -174.56 0.44 1 0 "[ ]" 68 . 1 36 ARG O 1 36 ARG C 1 37 ILE N 1 37 ILE H 175.00 -175.00 179.64 179.64 179.64 . . 0 "[ ]" 69 . 1 37 ILE CA 1 37 ILE C 1 38 TRP N 1 38 TRP CA 175.00 -175.00 174.12 174.12 174.12 0.88 1 0 "[ ]" 70 . 1 37 ILE O 1 37 ILE C 1 38 TRP N 1 38 TRP H 175.00 -175.00 176.99 176.99 176.99 . . 0 "[ ]" 71 . 1 38 TRP CA 1 38 TRP C 1 39 LEU N 1 39 LEU CA 175.00 -175.00 174.70 174.70 174.70 0.30 1 0 "[ ]" 72 . 1 38 TRP O 1 38 TRP C 1 39 LEU N 1 39 LEU H 175.00 -175.00 174.96 174.96 174.96 0.04 1 0 "[ ]" 73 . 1 39 LEU CA 1 39 LEU C 1 40 HIS N 1 40 HIS CA 175.00 -175.00 -179.91 -179.91 -179.91 . . 0 "[ ]" 74 . 1 39 LEU O 1 39 LEU C 1 40 HIS N 1 40 HIS H 175.00 -175.00 -176.42 -176.42 -176.42 . . 0 "[ ]" 75 . 1 40 HIS CA 1 40 HIS C 1 41 SER N 1 41 SER CA 175.00 -175.00 -179.12 -179.12 -179.12 . . 0 "[ ]" 76 . 1 40 HIS O 1 40 HIS C 1 41 SER N 1 41 SER H 175.00 -175.00 -177.47 -177.47 -177.47 . . 0 "[ ]" 77 . 1 41 SER CA 1 41 SER C 1 42 LEU N 1 42 LEU CA 175.00 -175.00 175.81 175.81 175.81 . . 0 "[ ]" 78 . 1 41 SER O 1 41 SER C 1 42 LEU N 1 42 LEU H 175.00 -175.00 179.51 179.51 179.51 . . 0 "[ ]" 79 . 1 42 LEU CA 1 42 LEU C 1 43 GLY N 1 43 GLY CA 175.00 -175.00 174.97 174.97 174.97 0.03 1 0 "[ ]" 80 . 1 42 LEU O 1 42 LEU C 1 43 GLY N 1 43 GLY H 175.00 -175.00 -179.60 -179.60 -179.60 . . 0 "[ ]" 81 . 1 43 GLY CA 1 43 GLY C 1 44 GLN N 1 44 GLN CA 175.00 -175.00 177.65 177.65 177.65 . . 0 "[ ]" 82 . 1 43 GLY O 1 43 GLY C 1 44 GLN N 1 44 GLN H 175.00 -175.00 -179.87 -179.87 -179.87 . . 0 "[ ]" 83 . 1 44 GLN CA 1 44 GLN C 1 45 HIS N 1 45 HIS CA 175.00 -175.00 174.87 174.87 174.87 0.13 1 0 "[ ]" 84 . 1 44 GLN O 1 44 GLN C 1 45 HIS N 1 45 HIS H 175.00 -175.00 178.67 178.67 178.67 . . 0 "[ ]" 85 . 1 45 HIS CA 1 45 HIS C 1 46 ILE N 1 46 ILE CA 175.00 -175.00 179.42 179.42 179.42 . . 0 "[ ]" 86 . 1 45 HIS O 1 45 HIS C 1 46 ILE N 1 46 ILE H 175.00 -175.00 -179.57 -179.57 -179.57 . . 0 "[ ]" 87 . 1 46 ILE CA 1 46 ILE C 1 47 TYR N 1 47 TYR CA 175.00 -175.00 172.57 172.57 172.57 2.43 1 0 "[ ]" 88 . 1 46 ILE O 1 46 ILE C 1 47 TYR N 1 47 TYR H 175.00 -175.00 174.67 174.67 174.67 0.33 1 0 "[ ]" 89 . 1 47 TYR CA 1 47 TYR C 1 48 GLU N 1 48 GLU CA 175.00 -175.00 174.32 174.32 174.32 0.68 1 0 "[ ]" 90 . 1 47 TYR O 1 47 TYR C 1 48 GLU N 1 48 GLU H 175.00 -175.00 -178.76 -178.76 -178.76 . . 0 "[ ]" 91 . 1 48 GLU CA 1 48 GLU C 1 49 THR N 1 49 THR CA 175.00 -175.00 -174.05 -174.05 -174.05 0.95 1 0 "[ ]" 92 . 1 48 GLU O 1 48 GLU C 1 49 THR N 1 49 THR H 175.00 -175.00 179.31 179.31 179.31 . . 0 "[ ]" 93 . 1 49 THR CA 1 49 THR C 1 50 TYR N 1 50 TYR CA 175.00 -175.00 -174.49 -174.49 -174.49 0.51 1 0 "[ ]" 94 . 1 49 THR O 1 49 THR C 1 50 TYR N 1 50 TYR H 175.00 -175.00 -175.56 -175.56 -175.56 . . 0 "[ ]" 95 . 1 50 TYR CA 1 50 TYR C 1 51 GLY N 1 51 GLY CA 175.00 -175.00 -173.77 -173.77 -173.77 1.23 1 0 "[ ]" 96 . 1 50 TYR O 1 50 TYR C 1 51 GLY N 1 51 GLY H 175.00 -175.00 -178.51 -178.51 -178.51 . . 0 "[ ]" 97 . 1 52 ASP CA 1 52 ASP C 1 53 THR N 1 53 THR CA 175.00 -175.00 174.41 174.41 174.41 0.59 1 0 "[ ]" 98 . 1 52 ASP O 1 52 ASP C 1 53 THR N 1 53 THR H 175.00 -175.00 -179.59 -179.59 -179.59 . . 0 "[ ]" 99 . 1 53 THR CA 1 53 THR C 1 54 TRP N 1 54 TRP CA 175.00 -175.00 174.73 174.73 174.73 0.27 1 0 "[ ]" 100 . 1 53 THR O 1 53 THR C 1 54 TRP N 1 54 TRP H 175.00 -175.00 178.54 178.54 178.54 . . 0 "[ ]" 101 . 1 54 TRP CA 1 54 TRP C 1 55 THR N 1 55 THR CA 175.00 -175.00 174.78 174.78 174.78 0.22 1 0 "[ ]" 102 . 1 54 TRP O 1 54 TRP C 1 55 THR N 1 55 THR H 175.00 -175.00 -175.01 -175.01 -175.01 . . 0 "[ ]" 103 . 1 55 THR CA 1 55 THR C 1 56 GLY N 1 56 GLY CA 175.00 -175.00 -179.66 -179.66 -179.66 . . 0 "[ ]" 104 . 1 55 THR O 1 55 THR C 1 56 GLY N 1 56 GLY H 175.00 -175.00 -174.92 -174.92 -174.92 0.08 1 0 "[ ]" 105 . 1 56 GLY CA 1 56 GLY C 1 57 VAL N 1 57 VAL CA 175.00 -175.00 179.38 179.38 179.38 . . 0 "[ ]" 106 . 1 56 GLY O 1 56 GLY C 1 57 VAL N 1 57 VAL H 175.00 -175.00 178.67 178.67 178.67 . . 0 "[ ]" 107 . 1 57 VAL CA 1 57 VAL C 1 58 GLU N 1 58 GLU CA 175.00 -175.00 176.19 176.19 176.19 . . 0 "[ ]" 108 . 1 57 VAL O 1 57 VAL C 1 58 GLU N 1 58 GLU H 175.00 -175.00 179.13 179.13 179.13 . . 0 "[ ]" 109 . 1 58 GLU CA 1 58 GLU C 1 59 ALA N 1 59 ALA CA 175.00 -175.00 175.95 175.95 175.95 . . 0 "[ ]" 110 . 1 58 GLU O 1 58 GLU C 1 59 ALA N 1 59 ALA H 175.00 -175.00 178.10 178.10 178.10 . . 0 "[ ]" 111 . 1 59 ALA CA 1 59 ALA C 1 60 LEU N 1 60 LEU CA 175.00 -175.00 179.74 179.74 179.74 . . 0 "[ ]" 112 . 1 59 ALA O 1 59 ALA C 1 60 LEU N 1 60 LEU H 175.00 -175.00 -177.18 -177.18 -177.18 . . 0 "[ ]" 113 . 1 60 LEU CA 1 60 LEU C 1 61 ILE N 1 61 ILE CA 175.00 -175.00 -177.74 -177.74 -177.74 . . 0 "[ ]" 114 . 1 60 LEU O 1 60 LEU C 1 61 ILE N 1 61 ILE H 175.00 -175.00 -176.39 -176.39 -176.39 . . 0 "[ ]" 115 . 1 61 ILE CA 1 61 ILE C 1 62 ARG N 1 62 ARG CA 175.00 -175.00 178.99 178.99 178.99 . . 0 "[ ]" 116 . 1 61 ILE O 1 61 ILE C 1 62 ARG N 1 62 ARG H 175.00 -175.00 -178.61 -178.61 -178.61 . . 0 "[ ]" 117 . 1 62 ARG CA 1 62 ARG C 1 63 ILE N 1 63 ILE CA 175.00 -175.00 -178.03 -178.03 -178.03 . . 0 "[ ]" 118 . 1 62 ARG O 1 62 ARG C 1 63 ILE N 1 63 ILE H 175.00 -175.00 -177.70 -177.70 -177.70 . . 0 "[ ]" 119 . 1 63 ILE CA 1 63 ILE C 1 64 LEU N 1 64 LEU CA 175.00 -175.00 179.08 179.08 179.08 . . 0 "[ ]" 120 . 1 63 ILE O 1 63 ILE C 1 64 LEU N 1 64 LEU H 175.00 -175.00 179.73 179.73 179.73 . . 0 "[ ]" 121 . 1 64 LEU CA 1 64 LEU C 1 65 GLN N 1 65 GLN CA 175.00 -175.00 176.11 176.11 176.11 . . 0 "[ ]" 122 . 1 64 LEU O 1 64 LEU C 1 65 GLN N 1 65 GLN H 175.00 -175.00 -177.63 -177.63 -177.63 . . 0 "[ ]" 123 . 1 65 GLN CA 1 65 GLN C 1 66 GLN N 1 66 GLN CA 175.00 -175.00 177.38 177.38 177.38 . . 0 "[ ]" 124 . 1 65 GLN O 1 65 GLN C 1 66 GLN N 1 66 GLN H 175.00 -175.00 177.16 177.16 177.16 . . 0 "[ ]" 125 . 1 66 GLN CA 1 66 GLN C 1 67 LEU N 1 67 LEU CA 175.00 -175.00 177.99 177.99 177.99 . . 0 "[ ]" 126 . 1 66 GLN O 1 66 GLN C 1 67 LEU N 1 67 LEU H 175.00 -175.00 178.57 178.57 178.57 . . 0 "[ ]" 127 . 1 67 LEU CA 1 67 LEU C 1 68 LEU N 1 68 LEU CA 175.00 -175.00 177.18 177.18 177.18 . . 0 "[ ]" 128 . 1 67 LEU O 1 67 LEU C 1 68 LEU N 1 68 LEU H 175.00 -175.00 -174.97 -174.97 -174.97 0.03 1 0 "[ ]" 129 . 1 68 LEU CA 1 68 LEU C 1 69 PHE N 1 69 PHE CA 175.00 -175.00 -174.90 -174.90 -174.90 0.10 1 0 "[ ]" 130 . 1 68 LEU O 1 68 LEU C 1 69 PHE N 1 69 PHE H 175.00 -175.00 -174.87 -174.87 -174.87 0.13 1 0 "[ ]" 131 . 1 69 PHE CA 1 69 PHE C 1 70 ILE N 1 70 ILE CA 175.00 -175.00 176.86 176.86 176.86 . . 0 "[ ]" 132 . 1 69 PHE O 1 69 PHE C 1 70 ILE N 1 70 ILE H 175.00 -175.00 -177.77 -177.77 -177.77 . . 0 "[ ]" 133 . 1 70 ILE CA 1 70 ILE C 1 71 HIS N 1 71 HIS CA 175.00 -175.00 -176.59 -176.59 -176.59 . . 0 "[ ]" 134 . 1 70 ILE O 1 70 ILE C 1 71 HIS N 1 71 HIS H 175.00 -175.00 -174.83 -174.83 -174.83 0.17 1 0 "[ ]" 135 . 1 71 HIS CA 1 71 HIS C 1 72 PHE N 1 72 PHE CA 175.00 -175.00 -179.42 -179.42 -179.42 . . 0 "[ ]" 136 . 1 71 HIS O 1 71 HIS C 1 72 PHE N 1 72 PHE H 175.00 -175.00 -179.56 -179.56 -179.56 . . 0 "[ ]" 137 . 1 72 PHE CA 1 72 PHE C 1 73 ARG N 1 73 ARG CA 175.00 -175.00 174.81 174.81 174.81 0.19 1 0 "[ ]" 138 . 1 72 PHE O 1 72 PHE C 1 73 ARG N 1 73 ARG H 175.00 -175.00 -179.81 -179.81 -179.81 . . 0 "[ ]" 139 . 1 73 ARG CA 1 73 ARG C 1 74 ILE N 1 74 ILE CA 175.00 -175.00 174.86 174.86 174.86 0.14 1 0 "[ ]" 140 . 1 73 ARG O 1 73 ARG C 1 74 ILE N 1 74 ILE H 175.00 -175.00 178.68 178.68 178.68 . . 0 "[ ]" 141 . 1 74 ILE CA 1 74 ILE C 1 75 GLY N 1 75 GLY CA 175.00 -175.00 178.11 178.11 178.11 . . 0 "[ ]" 142 . 1 74 ILE O 1 74 ILE C 1 75 GLY N 1 75 GLY H 175.00 -175.00 179.61 179.61 179.61 . . 0 "[ ]" 143 . 1 75 GLY CA 1 75 GLY C 1 76 CYS N 1 76 CYS CA 175.00 -175.00 178.63 178.63 178.63 . . 0 "[ ]" 144 . 1 75 GLY O 1 75 GLY C 1 76 CYS N 1 76 CYS H 175.00 -175.00 177.79 177.79 177.79 . . 0 "[ ]" 145 . 1 76 CYS CA 1 76 CYS C 1 77 ARG N 1 77 ARG CA 175.00 -175.00 -178.01 -178.01 -178.01 . . 0 "[ ]" 146 . 1 76 CYS O 1 76 CYS C 1 77 ARG N 1 77 ARG H 175.00 -175.00 -179.22 -179.22 -179.22 . . 0 "[ ]" 147 . 1 77 ARG CA 1 77 ARG C 1 78 HIS N 1 78 HIS CA 175.00 -175.00 -178.89 -178.89 -178.89 . . 0 "[ ]" 148 . 1 77 ARG O 1 77 ARG C 1 78 HIS N 1 78 HIS H 175.00 -175.00 179.66 179.66 179.66 . . 0 "[ ]" 149 . 1 78 HIS CA 1 78 HIS C 1 79 SER N 1 79 SER CA 175.00 -175.00 176.87 176.87 176.87 . . 0 "[ ]" 150 . 1 78 HIS O 1 78 HIS C 1 79 SER N 1 79 SER H 175.00 -175.00 179.77 179.77 179.77 . . 0 "[ ]" 151 . 1 79 SER CA 1 79 SER C 1 80 ARG N 1 80 ARG CA 175.00 -175.00 174.65 174.65 174.65 0.35 1 0 "[ ]" 152 . 1 79 SER O 1 79 SER C 1 80 ARG N 1 80 ARG H 175.00 -175.00 -177.13 -177.13 -177.13 . . 0 "[ ]" 153 . 1 80 ARG CA 1 80 ARG C 1 81 ILE N 1 81 ILE CA 175.00 -175.00 178.36 178.36 178.36 . . 0 "[ ]" 154 . 1 80 ARG O 1 80 ARG C 1 81 ILE N 1 81 ILE H 175.00 -175.00 178.55 178.55 178.55 . . 0 "[ ]" 155 . 1 81 ILE CA 1 81 ILE C 1 82 GLY N 1 82 GLY CA 175.00 -175.00 -174.95 -174.95 -174.95 0.05 1 0 "[ ]" 156 . 1 81 ILE O 1 81 ILE C 1 82 GLY N 1 82 GLY H 175.00 -175.00 175.02 175.02 175.02 . . 0 "[ ]" 157 . 1 82 GLY CA 1 82 GLY C 1 83 ILE N 1 83 ILE CA 175.00 -175.00 177.58 177.58 177.58 . . 0 "[ ]" 158 . 1 82 GLY O 1 82 GLY C 1 83 ILE N 1 83 ILE H 175.00 -175.00 -178.21 -178.21 -178.21 . . 0 "[ ]" 159 . 1 83 ILE CA 1 83 ILE C 1 84 ILE N 1 84 ILE CA 175.00 -175.00 176.07 176.07 176.07 . . 0 "[ ]" 160 . 1 83 ILE O 1 83 ILE C 1 84 ILE N 1 84 ILE H 175.00 -175.00 176.43 176.43 176.43 . . 0 "[ ]" 161 . 1 84 ILE CA 1 84 ILE C 1 85 GLN N 1 85 GLN CA 175.00 -175.00 174.71 174.71 174.71 0.29 1 0 "[ ]" 162 . 1 84 ILE O 1 84 ILE C 1 85 GLN N 1 85 GLN H 175.00 -175.00 -179.28 -179.28 -179.28 . . 0 "[ ]" 163 . 1 85 GLN CA 1 85 GLN C 1 86 GLN N 1 86 GLN CA 175.00 -175.00 179.63 179.63 179.63 . . 0 "[ ]" 164 . 1 85 GLN O 1 85 GLN C 1 86 GLN N 1 86 GLN H 175.00 -175.00 178.05 178.05 178.05 . . 0 "[ ]" 165 . 1 86 GLN CA 1 86 GLN C 1 87 ARG N 1 87 ARG CA 175.00 -175.00 174.29 174.29 174.29 0.71 1 0 "[ ]" 166 . 1 86 GLN O 1 86 GLN C 1 87 ARG N 1 87 ARG H 175.00 -175.00 -178.40 -178.40 -178.40 . . 0 "[ ]" 167 . 1 87 ARG CA 1 87 ARG C 1 88 ARG N 1 88 ARG CA 175.00 -175.00 175.00 175.00 175.00 0.00 1 0 "[ ]" 168 . 1 87 ARG O 1 87 ARG C 1 88 ARG N 1 88 ARG H 175.00 -175.00 179.71 179.71 179.71 . . 0 "[ ]" 169 . 1 88 ARG CA 1 88 ARG C 1 89 THR N 1 89 THR CA 175.00 -175.00 -174.82 -174.82 -174.82 0.18 1 0 "[ ]" 170 . 1 88 ARG O 1 88 ARG C 1 89 THR N 1 89 THR H 175.00 -175.00 -178.74 -178.74 -178.74 . . 0 "[ ]" 171 . 1 89 THR CA 1 89 THR C 1 90 ARG N 1 90 ARG CA 175.00 -175.00 -174.66 -174.66 -174.66 0.34 1 0 "[ ]" 172 . 1 89 THR O 1 89 THR C 1 90 ARG N 1 90 ARG H 175.00 -175.00 -179.83 -179.83 -179.83 . . 0 "[ ]" 173 . 1 90 ARG CA 1 90 ARG C 1 91 ASN N 1 91 ASN CA 175.00 -175.00 178.70 178.70 178.70 . . 0 "[ ]" 174 . 1 90 ARG O 1 90 ARG C 1 91 ASN N 1 91 ASN H 175.00 -175.00 177.80 177.80 177.80 . . 0 "[ ]" 175 . 1 91 ASN CA 1 91 ASN C 1 92 GLY N 1 92 GLY CA 175.00 -175.00 -176.89 -176.89 -176.89 . . 0 "[ ]" 176 . 1 91 ASN O 1 91 ASN C 1 92 GLY N 1 92 GLY H 175.00 -175.00 -178.43 -178.43 -178.43 . . 0 "[ ]" 177 . 1 92 GLY CA 1 92 GLY C 1 93 ALA N 1 93 ALA CA 175.00 -175.00 179.93 179.93 179.93 . . 0 "[ ]" 178 . 1 92 GLY O 1 92 GLY C 1 93 ALA N 1 93 ALA H 175.00 -175.00 -177.73 -177.73 -177.73 . . 0 "[ ]" 179 . 1 93 ALA CA 1 93 ALA C 1 94 SER N 1 94 SER CA 175.00 -175.00 177.52 177.52 177.52 . . 0 "[ ]" 180 . 1 93 ALA O 1 93 ALA C 1 94 SER N 1 94 SER H 175.00 -175.00 -176.47 -176.47 -176.47 . . 0 "[ ]" 181 . 1 94 SER CA 1 94 SER C 1 95 LYS N 1 95 LYS CA 175.00 -175.00 -174.91 -174.91 -174.91 0.09 1 0 "[ ]" 182 . 1 94 SER O 1 94 SER C 1 95 LYS N 1 95 LYS H 175.00 -175.00 -179.44 -179.44 -179.44 . . 0 "[ ]" 183 . 1 95 LYS CA 1 95 LYS C 1 96 SER N 1 96 SER CA 175.00 -175.00 -174.78 -174.78 -174.78 0.22 1 0 "[ ]" 184 . 1 95 LYS O 1 95 LYS C 1 96 SER N 1 96 SER H 175.00 -175.00 179.49 179.49 179.49 . . 0 "[ ]" stop_ save_
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