NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
380987 | 1iqo | 5129 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1iqo save_distance_constraint_statistics_1 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 1 _Distance_constraint_stats_list.Constraint_count 542 _Distance_constraint_stats_list.Viol_count 437 _Distance_constraint_stats_list.Viol_total 563.450 _Distance_constraint_stats_list.Viol_max 0.402 _Distance_constraint_stats_list.Viol_rms 0.0184 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0026 _Distance_constraint_stats_list.Viol_average_violations_only 0.0645 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 1 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 2 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 1 3 ILE 0.009 0.009 10 0 "[ . 1 . 2]" 1 4 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 5 THR 0.113 0.113 15 0 "[ . 1 . 2]" 1 6 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 7 LYS 0.074 0.074 8 0 "[ . 1 . 2]" 1 8 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 9 ILE 0.013 0.009 10 0 "[ . 1 . 2]" 1 10 PHE 0.562 0.111 14 0 "[ . 1 . 2]" 1 11 THR 3.034 0.288 19 0 "[ . 1 . 2]" 1 12 LEU 0.795 0.256 16 0 "[ . 1 . 2]" 1 13 LYS 3.588 0.402 7 0 "[ . 1 . 2]" 1 14 ASP 0.402 0.402 7 0 "[ . 1 . 2]" 1 15 LEU 0.575 0.194 7 0 "[ . 1 . 2]" 1 16 PRO 1.114 0.214 11 0 "[ . 1 . 2]" 1 17 GLU 0.751 0.214 11 0 "[ . 1 . 2]" 1 18 GLU 3.472 0.225 18 0 "[ . 1 . 2]" 1 19 PHE 3.578 0.225 18 0 "[ . 1 . 2]" 1 20 ARG 0.106 0.068 15 0 "[ . 1 . 2]" 1 21 PRO 0.169 0.087 14 0 "[ . 1 . 2]" 1 22 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 1 23 VAL 1.864 0.197 15 0 "[ . 1 . 2]" 1 24 ASP 0.455 0.061 5 0 "[ . 1 . 2]" 1 25 TYR 0.820 0.080 2 0 "[ . 1 . 2]" 1 26 LYS 1.417 0.133 9 0 "[ . 1 . 2]" 1 27 ALA 0.314 0.044 14 0 "[ . 1 . 2]" 1 28 GLY 0.943 0.080 2 0 "[ . 1 . 2]" 1 29 LEU 3.006 0.331 3 0 "[ . 1 . 2]" 1 30 GLU 2.870 0.331 3 0 "[ . 1 . 2]" 1 31 LYS 2.523 0.142 3 0 "[ . 1 . 2]" 1 32 LYS 1.947 0.142 3 0 "[ . 1 . 2]" 1 33 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 34 LEU 0.197 0.059 11 0 "[ . 1 . 2]" 1 35 SER 0.612 0.115 8 0 "[ . 1 . 2]" 1 36 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 37 ASP 0.077 0.049 14 0 "[ . 1 . 2]" 1 38 ASP 0.796 0.115 8 0 "[ . 1 . 2]" 1 39 GLU 0.029 0.020 14 0 "[ . 1 . 2]" 1 40 ILE 0.626 0.197 15 0 "[ . 1 . 2]" 1 41 ALA 0.013 0.009 10 0 "[ . 1 . 2]" 1 42 ILE 0.539 0.154 3 0 "[ . 1 . 2]" 1 43 ILE 0.074 0.074 8 0 "[ . 1 . 2]" 1 44 SER 0.098 0.039 14 0 "[ . 1 . 2]" 1 45 ILE 0.766 0.132 10 0 "[ . 1 . 2]" 1 46 LYS 0.229 0.122 13 0 "[ . 1 . 2]" 1 47 GLY 0.084 0.084 4 0 "[ . 1 . 2]" 1 48 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 49 GLN 0.084 0.084 4 0 "[ . 1 . 2]" 1 50 SER 1.078 0.213 7 0 "[ . 1 . 2]" 1 51 ASN 0.986 0.213 7 0 "[ . 1 . 2]" 1 52 HIS 0.667 0.203 3 0 "[ . 1 . 2]" 1 53 VAL 0.348 0.154 3 0 "[ . 1 . 2]" 1 54 LEU 0.162 0.116 1 0 "[ . 1 . 2]" 1 55 PHE 0.094 0.094 1 0 "[ . 1 . 2]" 1 56 LEU 0.336 0.222 4 0 "[ . 1 . 2]" 1 57 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 58 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 59 TYR 0.000 0.000 . 0 "[ . 1 . 2]" 1 60 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 1 61 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 62 VAL 1.184 0.221 19 0 "[ . 1 . 2]" 1 63 ASP 0.018 0.012 2 0 "[ . 1 . 2]" 1 64 GLU 0.007 0.006 3 0 "[ . 1 . 2]" 1 65 ILE 1.243 0.221 19 0 "[ . 1 . 2]" 1 66 ARG 0.011 0.011 12 0 "[ . 1 . 2]" 1 67 LYS 0.018 0.012 2 0 "[ . 1 . 2]" 1 68 GLU 0.007 0.006 3 0 "[ . 1 . 2]" 1 69 LEU 0.941 0.222 4 0 "[ . 1 . 2]" 1 70 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 71 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 72 ALA 0.685 0.063 8 0 "[ . 1 . 2]" 1 73 GLY 0.051 0.033 9 0 "[ . 1 . 2]" 1 74 ALA 0.363 0.218 11 0 "[ . 1 . 2]" 1 75 LYS 1.553 0.218 11 0 "[ . 1 . 2]" 1 76 ILE 1.256 0.210 15 0 "[ . 1 . 2]" 1 77 ASN 0.065 0.065 6 0 "[ . 1 . 2]" 1 78 HIS 0.000 0.000 . 0 "[ . 1 . 2]" 1 79 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 80 THR 0.517 0.285 13 0 "[ . 1 . 2]" 1 81 LEU 0.080 0.062 19 0 "[ . 1 . 2]" 1 82 LYS 1.000 0.178 18 0 "[ . 1 . 2]" 1 83 ILE 0.757 0.050 17 0 "[ . 1 . 2]" 1 84 LEU 1.167 0.216 12 0 "[ . 1 . 2]" 1 85 GLU 0.700 0.079 9 0 "[ . 1 . 2]" 1 86 GLY 0.757 0.050 17 0 "[ . 1 . 2]" 1 87 HIS 0.789 0.097 14 0 "[ . 1 . 2]" 1 88 LEU 0.094 0.094 1 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 1 LEU HA 1 2 PHE H 2.500 . 2.700 2.404 2.142 2.676 . 0 0 "[ . 1 . 2]" 1 2 1 1 LEU QB 1 2 PHE H 4.000 . 6.000 3.367 1.973 3.998 . 0 0 "[ . 1 . 2]" 1 3 1 2 PHE QD 1 4 ALA H 4.000 . 7.400 5.745 4.238 6.836 . 0 0 "[ . 1 . 2]" 1 4 1 3 ILE HA 1 4 ALA H 2.500 . 2.700 2.223 2.124 2.648 . 0 0 "[ . 1 . 2]" 1 5 1 3 ILE H 1 4 ALA H 4.000 . 5.000 4.175 2.963 4.620 . 0 0 "[ . 1 . 2]" 1 6 1 4 ALA H 1 4 ALA MB 3.000 . 4.300 2.299 2.082 2.703 . 0 0 "[ . 1 . 2]" 1 7 1 4 ALA HA 1 5 THR H 2.500 . 2.700 2.228 2.139 2.608 . 0 0 "[ . 1 . 2]" 1 8 1 4 ALA MB 1 5 THR H 3.000 . 4.300 3.429 2.837 3.709 . 0 0 "[ . 1 . 2]" 1 9 1 5 THR H 1 5 THR HB 4.000 . 6.000 3.663 3.471 3.861 . 0 0 "[ . 1 . 2]" 1 10 1 5 THR H 1 5 THR HG1 4.000 . 6.000 2.381 1.919 3.338 . 0 0 "[ . 1 . 2]" 1 11 1 5 THR HA 1 6 LEU H 2.500 . 2.700 2.258 2.140 2.448 . 0 0 "[ . 1 . 2]" 1 12 1 6 LEU HA 1 7 LYS H 2.500 . 2.700 2.222 2.136 2.497 . 0 0 "[ . 1 . 2]" 1 13 1 7 LYS HA 1 8 GLY H 2.500 . 2.700 2.237 2.140 2.416 . 0 0 "[ . 1 . 2]" 1 14 1 7 LYS QB 1 8 GLY H 3.000 . 4.300 3.507 2.468 3.942 . 0 0 "[ . 1 . 2]" 1 15 1 7 LYS H 1 8 GLY H 4.000 . 5.000 4.082 3.184 4.522 . 0 0 "[ . 1 . 2]" 1 16 1 8 GLY QA 1 9 ILE H 2.500 . 3.700 2.186 2.106 2.288 . 0 0 "[ . 1 . 2]" 1 17 1 8 GLY H 1 9 ILE H 4.000 . 5.000 4.424 4.080 4.642 . 0 0 "[ . 1 . 2]" 1 18 1 9 ILE HA 1 10 PHE H 2.500 . 2.700 2.206 2.105 2.368 . 0 0 "[ . 1 . 2]" 1 19 1 9 ILE HB 1 10 PHE H 4.000 . 6.000 4.243 3.564 4.596 . 0 0 "[ . 1 . 2]" 1 20 1 10 PHE HA 1 11 THR H 2.500 . 2.700 2.251 2.152 2.633 . 0 0 "[ . 1 . 2]" 1 21 1 10 PHE QB 1 11 THR H 4.000 . 6.000 3.415 2.584 3.920 . 0 0 "[ . 1 . 2]" 1 22 1 11 THR H 1 11 THR HB 3.000 . 4.300 3.474 2.700 3.984 . 0 0 "[ . 1 . 2]" 1 23 1 11 THR HA 1 12 LEU H 3.000 . 3.300 2.202 2.074 2.573 . 0 0 "[ . 1 . 2]" 1 24 1 11 THR HB 1 12 LEU H 3.000 . 4.300 3.396 2.416 4.308 0.008 9 0 "[ . 1 . 2]" 1 25 1 12 LEU H 1 12 LEU QB 3.000 . 4.300 2.910 2.140 3.420 . 0 0 "[ . 1 . 2]" 1 26 1 12 LEU H 1 13 LYS H 4.000 . 5.000 4.148 2.774 4.633 . 0 0 "[ . 1 . 2]" 1 27 1 12 LEU QB 1 13 LYS H 4.000 . 6.000 2.529 1.544 3.399 0.256 16 0 "[ . 1 . 2]" 1 28 1 13 LYS H 1 13 LYS QB 3.000 . 4.300 2.403 2.047 3.039 . 0 0 "[ . 1 . 2]" 1 29 1 13 LYS H 1 13 LYS QG 4.000 . 6.000 2.775 1.913 3.975 . 0 0 "[ . 1 . 2]" 1 30 1 11 THR HA 1 13 LYS H 4.000 . 6.000 5.801 3.933 6.288 0.288 19 0 "[ . 1 . 2]" 1 31 1 14 ASP H 1 14 ASP QB 3.000 . 4.300 2.319 2.088 2.866 . 0 0 "[ . 1 . 2]" 1 32 1 13 LYS H 1 14 ASP H 3.000 . 3.300 2.659 2.045 3.702 0.402 7 0 "[ . 1 . 2]" 1 33 1 13 LYS HA 1 14 ASP H 4.000 . 5.000 3.386 2.151 3.566 . 0 0 "[ . 1 . 2]" 1 34 1 15 LEU H 1 15 LEU QB 3.000 . 4.300 2.346 2.138 2.776 . 0 0 "[ . 1 . 2]" 1 35 1 14 ASP QB 1 15 LEU H 3.000 . 4.300 3.308 2.378 3.946 . 0 0 "[ . 1 . 2]" 1 36 1 10 PHE QD 1 15 LEU H 4.000 . 8.300 5.719 4.057 7.001 . 0 0 "[ . 1 . 2]" 1 37 1 10 PHE QD 1 15 LEU HA 4.000 . 8.300 5.121 2.847 7.305 . 0 0 "[ . 1 . 2]" 1 38 1 15 LEU H 1 16 PRO QD 4.000 . 6.000 3.002 1.883 4.243 . 0 0 "[ . 1 . 2]" 1 39 1 16 PRO HA 1 17 GLU H 2.500 . 2.700 2.648 2.243 2.914 0.214 11 0 "[ . 1 . 2]" 1 40 1 16 PRO QB 1 17 GLU H 3.000 . 4.300 3.940 3.768 3.986 . 0 0 "[ . 1 . 2]" 1 41 1 17 GLU H 1 17 GLU QB 3.000 . 4.300 2.548 2.041 2.998 . 0 0 "[ . 1 . 2]" 1 42 1 18 GLU H 1 18 GLU QB 3.000 . 4.300 2.737 2.217 3.081 . 0 0 "[ . 1 . 2]" 1 43 1 18 GLU H 1 18 GLU QG 4.000 . 6.000 3.888 1.956 4.352 . 0 0 "[ . 1 . 2]" 1 44 1 17 GLU H 1 18 GLU H 4.000 . 5.000 3.600 2.662 4.171 . 0 0 "[ . 1 . 2]" 1 45 1 17 GLU QB 1 18 GLU H 3.000 . 4.300 3.003 1.881 4.024 . 0 0 "[ . 1 . 2]" 1 46 1 17 GLU QG 1 18 GLU H 4.000 . 6.000 3.395 1.889 4.639 . 0 0 "[ . 1 . 2]" 1 47 1 18 GLU H 1 19 PHE H 4.000 . 5.000 2.330 1.742 3.598 0.058 17 0 "[ . 1 . 2]" 1 48 1 18 GLU HA 1 19 PHE H 3.000 . 3.300 3.421 2.912 3.525 0.225 18 0 "[ . 1 . 2]" 1 49 1 18 GLU QB 1 19 PHE H 3.000 . 4.300 2.652 1.919 3.800 . 0 0 "[ . 1 . 2]" 1 50 1 18 GLU QG 1 19 PHE H 4.000 . 6.000 3.998 2.883 4.549 . 0 0 "[ . 1 . 2]" 1 51 1 19 PHE HA 1 20 ARG H 4.000 . 5.000 3.327 2.214 3.584 . 0 0 "[ . 1 . 2]" 1 52 1 19 PHE QB 1 20 ARG H 3.000 . 4.300 2.416 1.861 4.027 . 0 0 "[ . 1 . 2]" 1 53 1 19 PHE H 1 20 ARG H 3.000 . 3.300 2.810 2.107 3.368 0.068 15 0 "[ . 1 . 2]" 1 54 1 20 ARG H 1 21 PRO QD 4.000 . 6.000 3.930 2.917 4.401 . 0 0 "[ . 1 . 2]" 1 55 1 22 PHE H 1 23 VAL H 3.000 . 3.300 2.468 2.097 2.881 . 0 0 "[ . 1 . 2]" 1 56 1 22 PHE QB 1 23 VAL H 4.000 . 6.000 2.590 1.913 3.811 . 0 0 "[ . 1 . 2]" 1 57 1 23 VAL H 1 23 VAL HB 4.000 . 5.000 3.102 2.485 3.687 . 0 0 "[ . 1 . 2]" 1 58 1 23 VAL H 1 24 ASP H 3.000 . 3.300 2.527 2.131 2.786 . 0 0 "[ . 1 . 2]" 1 59 1 21 PRO HA 1 24 ASP H 4.000 . 5.000 4.142 3.427 5.051 0.051 5 0 "[ . 1 . 2]" 1 60 1 23 VAL HB 1 24 ASP H 4.000 . 6.000 3.997 3.096 4.400 . 0 0 "[ . 1 . 2]" 1 61 1 24 ASP H 1 25 TYR H 3.000 . 3.300 2.800 2.308 3.048 . 0 0 "[ . 1 . 2]" 1 62 1 22 PHE HA 1 25 TYR H 4.000 . 5.000 4.554 4.183 4.808 . 0 0 "[ . 1 . 2]" 1 63 1 24 ASP QB 1 25 TYR H 4.000 . 6.000 2.919 2.310 3.545 . 0 0 "[ . 1 . 2]" 1 64 1 25 TYR H 1 26 LYS H 3.000 . 3.300 2.657 2.545 2.739 . 0 0 "[ . 1 . 2]" 1 65 1 23 VAL HA 1 26 LYS H 3.000 . 3.300 3.329 3.231 3.433 0.133 9 0 "[ . 1 . 2]" 1 66 1 25 TYR QB 1 26 LYS H 4.000 . 6.000 3.462 3.235 3.595 . 0 0 "[ . 1 . 2]" 1 67 1 26 LYS H 1 27 ALA H 3.000 . 3.300 2.557 2.331 2.811 . 0 0 "[ . 1 . 2]" 1 68 1 24 ASP HA 1 27 ALA H 3.000 . 3.300 3.277 3.004 3.344 0.044 14 0 "[ . 1 . 2]" 1 69 1 26 LYS QB 1 27 ALA H 4.000 . 6.000 2.993 2.541 3.639 . 0 0 "[ . 1 . 2]" 1 70 1 27 ALA H 1 28 GLY H 3.000 . 3.300 2.495 2.346 2.592 . 0 0 "[ . 1 . 2]" 1 71 1 25 TYR HA 1 28 GLY H 3.000 . 3.300 3.331 3.199 3.380 0.080 2 0 "[ . 1 . 2]" 1 72 1 24 ASP HA 1 28 GLY H 4.000 . 5.000 4.781 4.159 5.061 0.061 5 0 "[ . 1 . 2]" 1 73 1 27 ALA MB 1 28 GLY H 4.000 . 6.000 2.899 2.681 3.147 . 0 0 "[ . 1 . 2]" 1 74 1 28 GLY H 1 29 LEU H 2.500 . 2.700 2.414 2.244 2.610 . 0 0 "[ . 1 . 2]" 1 75 1 28 GLY QA 1 29 LEU H 4.000 . 6.000 2.833 2.748 2.917 . 0 0 "[ . 1 . 2]" 1 76 1 26 LYS HA 1 29 LEU H 3.000 . 3.300 3.333 3.257 3.405 0.105 2 0 "[ . 1 . 2]" 1 77 1 29 LEU H 1 30 GLU H 3.000 . 3.300 2.796 2.412 3.631 0.331 3 0 "[ . 1 . 2]" 1 78 1 28 GLY QA 1 30 GLU H 4.000 . 6.000 3.189 2.952 4.182 . 0 0 "[ . 1 . 2]" 1 79 1 29 LEU QB 1 30 GLU H 4.000 . 6.000 3.385 1.951 3.964 . 0 0 "[ . 1 . 2]" 1 80 1 29 LEU HA 1 30 GLU H 3.000 . 3.300 3.287 2.376 3.512 0.212 5 0 "[ . 1 . 2]" 1 81 1 30 GLU H 1 30 GLU QG 4.000 . 6.000 3.965 2.564 4.325 . 0 0 "[ . 1 . 2]" 1 82 1 30 GLU H 1 31 LYS H 3.000 . 3.300 2.515 2.029 3.363 0.063 5 0 "[ . 1 . 2]" 1 83 1 30 GLU HA 1 31 LYS H 2.500 . 2.700 2.615 2.198 2.781 0.081 19 0 "[ . 1 . 2]" 1 84 1 30 GLU QB 1 31 LYS H 4.000 . 6.000 3.933 3.807 4.042 . 0 0 "[ . 1 . 2]" 1 85 1 30 GLU QG 1 31 LYS H 4.000 . 6.000 4.196 3.674 4.511 . 0 0 "[ . 1 . 2]" 1 86 1 31 LYS H 1 31 LYS QG 4.000 . 6.000 3.583 2.544 4.445 . 0 0 "[ . 1 . 2]" 1 87 1 31 LYS H 1 32 LYS H 2.500 . 2.700 2.741 2.382 2.842 0.142 3 0 "[ . 1 . 2]" 1 88 1 31 LYS HA 1 32 LYS H 2.500 . 2.700 2.740 2.712 2.835 0.135 4 0 "[ . 1 . 2]" 1 89 1 31 LYS QB 1 32 LYS H 4.000 . 6.000 3.938 3.779 4.037 . 0 0 "[ . 1 . 2]" 1 90 1 31 LYS QG 1 32 LYS H 4.000 . 6.000 4.210 3.773 4.610 . 0 0 "[ . 1 . 2]" 1 91 1 32 LYS H 1 32 LYS QG 4.000 . 6.000 3.683 1.949 4.065 . 0 0 "[ . 1 . 2]" 1 92 1 32 LYS HA 1 33 LYS H 4.000 . 5.000 3.148 2.183 3.572 . 0 0 "[ . 1 . 2]" 1 93 1 32 LYS QB 1 33 LYS H 4.000 . 6.000 2.926 1.967 3.788 . 0 0 "[ . 1 . 2]" 1 94 1 33 LYS H 1 33 LYS QG 4.000 . 6.000 3.543 2.283 4.502 . 0 0 "[ . 1 . 2]" 1 95 1 33 LYS HA 1 34 LEU H 4.000 . 5.000 2.402 2.136 3.546 . 0 0 "[ . 1 . 2]" 1 96 1 34 LEU H 1 34 LEU QB 3.000 . 4.300 2.729 2.364 3.340 . 0 0 "[ . 1 . 2]" 1 97 1 34 LEU H 1 34 LEU HG 4.000 . 5.000 3.544 1.986 4.909 . 0 0 "[ . 1 . 2]" 1 98 1 34 LEU H 1 35 SER H 4.000 . 5.000 3.986 2.794 4.552 . 0 0 "[ . 1 . 2]" 1 99 1 34 LEU HA 1 35 SER H 2.500 . 2.700 2.399 2.133 2.759 0.059 11 0 "[ . 1 . 2]" 1 100 1 35 SER H 1 35 SER QB 3.000 . 4.300 2.441 2.152 3.026 . 0 0 "[ . 1 . 2]" 1 101 1 34 LEU QB 1 35 SER H 3.000 . 4.300 3.247 1.827 3.896 . 0 0 "[ . 1 . 2]" 1 102 1 35 SER HA 1 36 ASP H 4.000 . 5.000 2.758 2.144 3.543 . 0 0 "[ . 1 . 2]" 1 103 1 35 SER QB 1 37 ASP H 4.000 . 6.000 3.448 2.198 4.992 . 0 0 "[ . 1 . 2]" 1 104 1 36 ASP HA 1 37 ASP H 4.000 . 5.000 3.130 2.247 3.553 . 0 0 "[ . 1 . 2]" 1 105 1 36 ASP QB 1 37 ASP H 4.000 . 6.000 3.352 1.940 4.032 . 0 0 "[ . 1 . 2]" 1 106 1 37 ASP H 1 37 ASP QB 3.000 . 4.300 2.598 2.129 3.171 . 0 0 "[ . 1 . 2]" 1 107 1 37 ASP H 1 38 ASP H 2.500 . 2.700 2.318 1.895 2.749 0.049 14 0 "[ . 1 . 2]" 1 108 1 37 ASP QB 1 38 ASP H 4.000 . 6.000 3.479 2.521 4.015 . 0 0 "[ . 1 . 2]" 1 109 1 35 SER H 1 38 ASP H 4.000 . 5.000 4.865 4.080 5.115 0.115 8 0 "[ . 1 . 2]" 1 110 1 38 ASP H 1 38 ASP QB 3.000 . 4.300 2.214 2.055 2.627 . 0 0 "[ . 1 . 2]" 1 111 1 37 ASP HA 1 38 ASP H 4.000 . 5.000 3.216 2.988 3.545 . 0 0 "[ . 1 . 2]" 1 112 1 13 LYS QG 1 38 ASP H 4.000 . 8.300 5.086 3.643 7.070 . 0 0 "[ . 1 . 2]" 1 113 1 12 LEU QD 1 38 ASP H 4.000 . 8.300 4.374 2.431 5.492 . 0 0 "[ . 1 . 2]" 1 114 1 38 ASP HA 1 39 GLU H 2.500 . 2.700 2.295 2.146 2.678 . 0 0 "[ . 1 . 2]" 1 115 1 38 ASP QB 1 39 GLU H 4.000 . 6.000 3.339 2.550 3.979 . 0 0 "[ . 1 . 2]" 1 116 1 39 GLU H 1 39 GLU QB 3.000 . 4.300 2.668 2.315 2.926 . 0 0 "[ . 1 . 2]" 1 117 1 39 GLU H 1 39 GLU QG 4.000 . 6.000 3.433 1.929 4.163 . 0 0 "[ . 1 . 2]" 1 118 1 38 ASP H 1 39 GLU H 4.000 . 5.000 4.460 4.062 4.645 . 0 0 "[ . 1 . 2]" 1 119 1 39 GLU HA 1 40 ILE H 2.500 . 2.700 2.211 2.129 2.473 . 0 0 "[ . 1 . 2]" 1 120 1 39 GLU QB 1 40 ILE H 4.000 . 6.000 3.190 2.332 3.883 . 0 0 "[ . 1 . 2]" 1 121 1 40 ILE HA 1 41 ALA H 2.500 . 2.700 2.261 2.139 2.426 . 0 0 "[ . 1 . 2]" 1 122 1 40 ILE HB 1 41 ALA H 4.000 . 5.000 3.795 3.232 4.406 . 0 0 "[ . 1 . 2]" 1 123 1 41 ALA H 1 41 ALA MB 3.000 . 4.300 2.464 2.229 2.730 . 0 0 "[ . 1 . 2]" 1 124 1 41 ALA HA 1 42 ILE H 2.500 . 2.700 2.181 2.131 2.351 . 0 0 "[ . 1 . 2]" 1 125 1 41 ALA MB 1 42 ILE H 4.000 . 6.000 3.136 2.564 3.534 . 0 0 "[ . 1 . 2]" 1 126 1 42 ILE HA 1 43 ILE H 2.500 . 2.700 2.167 2.137 2.232 . 0 0 "[ . 1 . 2]" 1 127 1 42 ILE HB 1 43 ILE H 4.000 . 5.000 3.931 3.079 4.369 . 0 0 "[ . 1 . 2]" 1 128 1 43 ILE HA 1 44 SER H 3.000 . 3.300 2.191 2.126 2.316 . 0 0 "[ . 1 . 2]" 1 129 1 43 ILE HB 1 44 SER H 4.000 . 6.000 3.889 2.561 4.384 . 0 0 "[ . 1 . 2]" 1 130 1 44 SER H 1 44 SER QB 3.000 . 4.300 2.771 2.257 3.317 . 0 0 "[ . 1 . 2]" 1 131 1 44 SER QB 1 45 ILE H 4.000 . 6.000 3.174 2.641 3.895 . 0 0 "[ . 1 . 2]" 1 132 1 44 SER HA 1 45 ILE H 3.000 . 3.300 2.220 2.140 2.441 . 0 0 "[ . 1 . 2]" 1 133 1 45 ILE HA 1 46 LYS H 4.000 . 5.000 2.923 2.300 3.568 . 0 0 "[ . 1 . 2]" 1 134 1 46 LYS HA 1 47 GLY H 4.000 . 5.000 2.953 2.144 3.569 . 0 0 "[ . 1 . 2]" 1 135 1 47 GLY QA 1 48 THR H 4.000 . 5.000 2.664 2.228 2.898 . 0 0 "[ . 1 . 2]" 1 136 1 48 THR H 1 48 THR HB 4.000 . 6.000 3.617 2.520 4.060 . 0 0 "[ . 1 . 2]" 1 137 1 48 THR H 1 48 THR HG1 4.000 . 6.000 2.616 1.976 3.434 . 0 0 "[ . 1 . 2]" 1 138 1 48 THR HA 1 49 GLN H 4.000 . 5.000 3.147 2.420 3.575 . 0 0 "[ . 1 . 2]" 1 139 1 49 GLN HA 1 50 SER H 4.000 . 5.000 2.999 2.464 3.592 . 0 0 "[ . 1 . 2]" 1 140 1 50 SER HA 1 51 ASN H 3.000 . 3.300 2.642 2.201 3.513 0.213 7 0 "[ . 1 . 2]" 1 141 1 51 ASN HA 1 52 HIS H 3.000 . 3.300 2.740 2.135 3.503 0.203 3 0 "[ . 1 . 2]" 1 142 1 52 HIS H 1 52 HIS QB 3.000 . 4.300 2.882 2.502 3.426 . 0 0 "[ . 1 . 2]" 1 143 1 52 HIS HA 1 53 VAL H 2.500 . 2.700 2.311 2.147 2.697 . 0 0 "[ . 1 . 2]" 1 144 1 52 HIS QB 1 53 VAL H 4.000 . 6.000 2.740 2.033 3.786 . 0 0 "[ . 1 . 2]" 1 145 1 53 VAL HA 1 54 LEU H 2.500 . 2.700 2.219 2.136 2.456 . 0 0 "[ . 1 . 2]" 1 146 1 53 VAL HB 1 54 LEU H 4.000 . 6.000 3.999 2.287 4.436 . 0 0 "[ . 1 . 2]" 1 147 1 54 LEU H 1 54 LEU QB 3.000 . 4.300 2.543 2.201 2.870 . 0 0 "[ . 1 . 2]" 1 148 1 54 LEU HA 1 55 PHE H 2.500 . 2.700 2.250 2.140 2.696 . 0 0 "[ . 1 . 2]" 1 149 1 54 LEU QB 1 55 PHE H 3.000 . 4.300 3.113 2.004 3.887 . 0 0 "[ . 1 . 2]" 1 150 1 55 PHE H 1 55 PHE QB 3.000 . 4.300 2.431 2.161 3.405 . 0 0 "[ . 1 . 2]" 1 151 1 55 PHE HA 1 56 LEU H 2.500 . 2.700 2.194 2.140 2.337 . 0 0 "[ . 1 . 2]" 1 152 1 55 PHE QB 1 56 LEU H 4.000 . 6.000 3.544 2.702 3.919 . 0 0 "[ . 1 . 2]" 1 153 1 56 LEU HA 1 57 SER H 3.000 . 3.300 2.201 2.134 2.347 . 0 0 "[ . 1 . 2]" 1 154 1 56 LEU H 1 57 SER H 4.000 . 5.000 4.268 3.722 4.604 . 0 0 "[ . 1 . 2]" 1 155 1 56 LEU QB 1 57 SER H 4.000 . 6.000 3.415 2.774 3.826 . 0 0 "[ . 1 . 2]" 1 156 1 57 SER H 1 57 SER QB 3.000 . 4.300 2.424 2.081 2.987 . 0 0 "[ . 1 . 2]" 1 157 1 59 TYR QE 1 65 ILE H 4.000 . 7.400 5.107 3.077 6.189 . 0 0 "[ . 1 . 2]" 1 158 1 59 TYR QE 1 65 ILE HA 4.000 . 7.400 4.469 2.605 6.835 . 0 0 "[ . 1 . 2]" 1 159 1 61 SER H 1 65 ILE MD 4.000 . 7.400 4.444 2.295 6.209 . 0 0 "[ . 1 . 2]" 1 160 1 59 TYR QE 1 64 GLU H 4.000 . 8.300 6.909 3.444 7.701 . 0 0 "[ . 1 . 2]" 1 161 1 59 TYR QE 1 66 ARG H 4.000 . 8.300 5.017 3.010 7.340 . 0 0 "[ . 1 . 2]" 1 162 1 60 ASN H 1 61 SER H 4.000 . 5.000 3.408 2.022 4.640 . 0 0 "[ . 1 . 2]" 1 163 1 60 ASN QB 1 61 SER H 3.000 . 4.300 2.824 1.916 3.827 . 0 0 "[ . 1 . 2]" 1 164 1 61 SER H 1 61 SER QB 3.000 . 4.300 2.894 2.100 3.497 . 0 0 "[ . 1 . 2]" 1 165 1 61 SER QB 1 62 VAL H 3.000 . 4.300 2.867 1.930 4.038 . 0 0 "[ . 1 . 2]" 1 166 1 62 VAL H 1 62 VAL HB 3.000 . 4.300 3.693 3.047 4.026 . 0 0 "[ . 1 . 2]" 1 167 1 62 VAL H 1 62 VAL QG 4.000 . 6.000 2.278 1.897 3.251 . 0 0 "[ . 1 . 2]" 1 168 1 61 SER HA 1 62 VAL HA 4.000 . 6.000 4.525 4.318 4.926 . 0 0 "[ . 1 . 2]" 1 169 1 62 VAL HB 1 63 ASP H 4.000 . 6.000 3.231 1.876 4.582 . 0 0 "[ . 1 . 2]" 1 170 1 62 VAL HA 1 63 ASP H 4.000 . 5.000 2.598 2.140 3.533 . 0 0 "[ . 1 . 2]" 1 171 1 63 ASP H 1 63 ASP QB 3.000 . 4.300 2.711 2.083 3.460 . 0 0 "[ . 1 . 2]" 1 172 1 63 ASP H 1 64 GLU H 4.000 . 5.000 2.983 2.184 3.848 . 0 0 "[ . 1 . 2]" 1 173 1 63 ASP QB 1 64 GLU H 3.000 . 4.300 2.781 1.943 3.639 . 0 0 "[ . 1 . 2]" 1 174 1 64 GLU H 1 64 GLU QB 3.000 . 4.300 2.316 2.072 2.674 . 0 0 "[ . 1 . 2]" 1 175 1 64 GLU H 1 64 GLU QG 4.000 . 6.000 3.141 1.939 4.030 . 0 0 "[ . 1 . 2]" 1 176 1 63 ASP HA 1 64 GLU H 4.000 . 5.000 3.509 3.252 3.577 . 0 0 "[ . 1 . 2]" 1 177 1 64 GLU H 1 65 ILE H 3.000 . 3.300 2.680 2.347 2.927 . 0 0 "[ . 1 . 2]" 1 178 1 62 VAL HA 1 65 ILE H 4.000 . 5.000 4.614 3.367 5.209 0.209 4 0 "[ . 1 . 2]" 1 179 1 64 GLU QB 1 65 ILE H 3.000 . 4.300 2.946 2.178 3.931 . 0 0 "[ . 1 . 2]" 1 180 1 65 ILE H 1 65 ILE HB 3.000 . 4.300 3.193 2.486 3.758 . 0 0 "[ . 1 . 2]" 1 181 1 65 ILE H 1 65 ILE QG 4.000 . 6.000 2.010 1.771 2.393 0.029 19 0 "[ . 1 . 2]" 1 182 1 65 ILE H 1 66 ARG H 3.000 . 3.300 2.497 1.984 3.291 . 0 0 "[ . 1 . 2]" 1 183 1 65 ILE HB 1 66 ARG H 3.000 . 4.300 3.523 1.972 4.311 0.011 12 0 "[ . 1 . 2]" 1 184 1 66 ARG H 1 66 ARG QB 3.000 . 4.300 2.265 2.116 2.603 . 0 0 "[ . 1 . 2]" 1 185 1 65 ILE QG 1 66 ARG H 4.000 . 6.000 2.485 1.952 3.456 . 0 0 "[ . 1 . 2]" 1 186 1 66 ARG H 1 67 LYS H 3.000 . 3.300 2.615 2.388 2.853 . 0 0 "[ . 1 . 2]" 1 187 1 64 GLU HA 1 67 LYS H 4.000 . 5.000 3.828 3.064 4.796 . 0 0 "[ . 1 . 2]" 1 188 1 66 ARG QB 1 67 LYS H 3.000 . 4.300 2.659 1.987 3.506 . 0 0 "[ . 1 . 2]" 1 189 1 67 LYS H 1 67 LYS QB 3.000 . 4.300 2.246 2.039 2.654 . 0 0 "[ . 1 . 2]" 1 190 1 67 LYS H 1 67 LYS QG 4.000 . 6.000 3.261 1.951 4.028 . 0 0 "[ . 1 . 2]" 1 191 1 63 ASP HA 1 67 LYS H 4.000 . 5.000 4.060 3.382 5.012 0.012 2 0 "[ . 1 . 2]" 1 192 1 67 LYS H 1 68 GLU H 3.000 . 3.300 2.606 2.327 2.820 . 0 0 "[ . 1 . 2]" 1 193 1 64 GLU HA 1 68 GLU H 4.000 . 5.000 4.262 3.489 5.006 0.006 3 0 "[ . 1 . 2]" 1 194 1 65 ILE HA 1 68 GLU H 4.000 . 5.000 3.608 3.124 4.247 . 0 0 "[ . 1 . 2]" 1 195 1 67 LYS QB 1 68 GLU H 4.000 . 6.000 2.859 2.355 3.522 . 0 0 "[ . 1 . 2]" 1 196 1 68 GLU H 1 69 LEU H 3.000 . 3.300 2.694 2.452 2.837 . 0 0 "[ . 1 . 2]" 1 197 1 66 ARG HA 1 69 LEU H 4.000 . 5.000 3.669 3.203 4.228 . 0 0 "[ . 1 . 2]" 1 198 1 68 GLU QB 1 69 LEU H 4.000 . 6.000 2.503 2.232 3.374 . 0 0 "[ . 1 . 2]" 1 199 1 69 LEU H 1 69 LEU QB 3.000 . 4.300 2.158 2.045 2.279 . 0 0 "[ . 1 . 2]" 1 200 1 65 ILE HA 1 69 LEU H 4.000 . 5.000 4.205 3.445 4.838 . 0 0 "[ . 1 . 2]" 1 201 1 69 LEU H 1 70 GLU H 3.000 . 3.300 2.719 2.440 2.983 . 0 0 "[ . 1 . 2]" 1 202 1 66 ARG HA 1 70 GLU H 4.000 . 5.000 3.948 3.234 4.485 . 0 0 "[ . 1 . 2]" 1 203 1 67 LYS HA 1 70 GLU H 4.000 . 5.000 3.739 3.240 4.098 . 0 0 "[ . 1 . 2]" 1 204 1 69 LEU QB 1 70 GLU H 4.000 . 6.000 2.393 2.097 2.637 . 0 0 "[ . 1 . 2]" 1 205 1 70 GLU H 1 70 GLU QB 3.000 . 4.300 2.230 2.048 2.698 . 0 0 "[ . 1 . 2]" 1 206 1 70 GLU H 1 71 GLU H 3.000 . 3.300 2.751 2.622 2.870 . 0 0 "[ . 1 . 2]" 1 207 1 67 LYS HA 1 71 GLU H 4.000 . 5.000 3.982 3.547 4.415 . 0 0 "[ . 1 . 2]" 1 208 1 68 GLU HA 1 71 GLU H 4.000 . 5.000 3.769 3.453 4.007 . 0 0 "[ . 1 . 2]" 1 209 1 70 GLU QB 1 71 GLU H 3.000 . 4.300 2.847 2.465 3.560 . 0 0 "[ . 1 . 2]" 1 210 1 71 GLU H 1 71 GLU QB 3.000 . 4.300 2.202 2.047 2.489 . 0 0 "[ . 1 . 2]" 1 211 1 71 GLU H 1 71 GLU QG 4.000 . 6.000 3.230 2.231 3.989 . 0 0 "[ . 1 . 2]" 1 212 1 71 GLU H 1 72 ALA H 3.000 . 3.300 2.596 2.389 2.747 . 0 0 "[ . 1 . 2]" 1 213 1 68 GLU HA 1 72 ALA H 4.000 . 5.000 4.429 3.898 4.733 . 0 0 "[ . 1 . 2]" 1 214 1 69 LEU HA 1 72 ALA H 3.000 . 3.300 3.330 3.276 3.363 0.063 8 0 "[ . 1 . 2]" 1 215 1 71 GLU QB 1 72 ALA H 3.000 . 4.300 2.710 2.425 3.498 . 0 0 "[ . 1 . 2]" 1 216 1 72 ALA H 1 72 ALA MB 2.500 . 3.700 2.184 2.081 2.268 . 0 0 "[ . 1 . 2]" 1 217 1 72 ALA H 1 73 GLY H 2.500 . 2.700 2.557 2.358 2.733 0.033 9 0 "[ . 1 . 2]" 1 218 1 71 GLU H 1 73 GLY H 4.000 . 5.000 3.855 3.707 4.114 . 0 0 "[ . 1 . 2]" 1 219 1 72 ALA MB 1 73 GLY H 3.000 . 4.300 3.050 2.765 3.462 . 0 0 "[ . 1 . 2]" 1 220 1 70 GLU QB 1 73 GLY H 4.000 . 6.000 4.806 4.557 5.142 . 0 0 "[ . 1 . 2]" 1 221 1 73 GLY H 1 74 ALA H 4.000 . 5.000 2.693 2.252 3.045 . 0 0 "[ . 1 . 2]" 1 222 1 73 GLY QA 1 74 ALA H 4.000 . 6.000 2.581 2.378 2.800 . 0 0 "[ . 1 . 2]" 1 223 1 74 ALA H 1 74 ALA MB 3.000 . 4.300 2.639 2.273 2.915 . 0 0 "[ . 1 . 2]" 1 224 1 73 GLY QA 1 75 LYS H 4.000 . 6.000 4.219 3.678 4.865 . 0 0 "[ . 1 . 2]" 1 225 1 74 ALA HA 1 75 LYS H 3.000 . 3.300 2.937 2.414 3.518 0.218 11 0 "[ . 1 . 2]" 1 226 1 74 ALA MB 1 75 LYS H 3.000 . 4.300 3.483 2.041 3.715 . 0 0 "[ . 1 . 2]" 1 227 1 75 LYS H 1 75 LYS QB 3.000 . 4.300 2.327 2.088 2.867 . 0 0 "[ . 1 . 2]" 1 228 1 75 LYS H 1 75 LYS QG 4.000 . 6.000 3.508 1.969 4.139 . 0 0 "[ . 1 . 2]" 1 229 1 74 ALA H 1 75 LYS H 4.000 . 5.000 2.334 1.922 3.038 . 0 0 "[ . 1 . 2]" 1 230 1 75 LYS HA 1 76 ILE H 3.000 . 3.300 2.945 2.348 3.510 0.210 15 0 "[ . 1 . 2]" 1 231 1 76 ILE H 1 76 ILE HB 3.000 . 4.300 3.067 2.540 3.646 . 0 0 "[ . 1 . 2]" 1 232 1 76 ILE H 1 76 ILE QG 4.000 . 6.000 2.018 1.847 2.302 . 0 0 "[ . 1 . 2]" 1 233 1 75 LYS QB 1 76 ILE H 3.000 . 4.300 2.167 1.848 3.362 . 0 0 "[ . 1 . 2]" 1 234 1 76 ILE HB 1 77 ASN H 3.000 . 4.300 3.374 1.827 4.365 0.065 6 0 "[ . 1 . 2]" 1 235 1 77 ASN H 1 77 ASN QB 3.000 . 4.300 2.853 2.145 3.436 . 0 0 "[ . 1 . 2]" 1 236 1 76 ILE QG 1 77 ASN H 4.000 . 6.000 2.663 1.884 3.793 . 0 0 "[ . 1 . 2]" 1 237 1 77 ASN HA 1 78 HIS H 4.000 . 5.000 2.778 2.142 3.572 . 0 0 "[ . 1 . 2]" 1 238 1 79 THR H 1 79 THR HB 4.000 . 6.000 3.354 2.568 3.960 . 0 0 "[ . 1 . 2]" 1 239 1 78 HIS HA 1 79 THR H 4.000 . 5.000 2.760 2.166 3.570 . 0 0 "[ . 1 . 2]" 1 240 1 78 HIS QB 1 79 THR H 4.000 . 6.000 3.137 2.146 4.048 . 0 0 "[ . 1 . 2]" 1 241 1 80 THR H 1 80 THR HB 4.000 . 6.000 3.436 2.561 4.051 . 0 0 "[ . 1 . 2]" 1 242 1 79 THR HA 1 80 THR H 4.000 . 5.000 2.789 2.172 3.566 . 0 0 "[ . 1 . 2]" 1 243 1 79 THR HB 1 80 THR H 4.000 . 6.000 3.778 1.998 4.650 . 0 0 "[ . 1 . 2]" 1 244 1 80 THR HA 1 81 LEU H 4.000 . 5.000 3.131 2.197 3.589 . 0 0 "[ . 1 . 2]" 1 245 1 80 THR HB 1 81 LEU H 4.000 . 5.000 3.828 1.952 4.657 . 0 0 "[ . 1 . 2]" 1 246 1 81 LEU H 1 81 LEU QB 3.000 . 4.300 3.004 2.291 3.492 . 0 0 "[ . 1 . 2]" 1 247 1 81 LEU H 1 82 LYS H 3.000 . 3.300 2.665 1.899 3.362 0.062 19 0 "[ . 1 . 2]" 1 248 1 82 LYS H 1 82 LYS QB 3.000 . 4.300 2.224 2.041 2.605 . 0 0 "[ . 1 . 2]" 1 249 1 82 LYS H 1 82 LYS QG 4.000 . 6.000 3.504 1.947 4.050 . 0 0 "[ . 1 . 2]" 1 250 1 81 LEU QB 1 82 LYS H 4.000 . 6.000 3.495 2.533 3.948 . 0 0 "[ . 1 . 2]" 1 251 1 82 LYS H 1 83 ILE H 3.000 . 3.300 2.630 2.387 3.013 . 0 0 "[ . 1 . 2]" 1 252 1 83 ILE H 1 83 ILE HB 3.000 . 4.300 3.351 2.520 3.621 . 0 0 "[ . 1 . 2]" 1 253 1 83 ILE H 1 83 ILE QG 4.000 . 6.000 1.934 1.862 2.060 . 0 0 "[ . 1 . 2]" 1 254 1 82 LYS QB 1 83 ILE H 3.000 . 4.300 2.574 2.053 3.544 . 0 0 "[ . 1 . 2]" 1 255 1 83 ILE H 1 84 LEU H 3.000 . 3.300 2.700 2.441 2.899 . 0 0 "[ . 1 . 2]" 1 256 1 84 LEU H 1 84 LEU HG 4.000 . 6.000 3.659 1.911 4.481 . 0 0 "[ . 1 . 2]" 1 257 1 83 ILE HB 1 84 LEU H 3.000 . 4.300 3.654 2.169 4.031 . 0 0 "[ . 1 . 2]" 1 258 1 84 LEU H 1 85 GLU H 3.000 . 3.300 2.574 2.404 2.699 . 0 0 "[ . 1 . 2]" 1 259 1 82 LYS HA 1 85 GLU H 3.000 . 3.300 3.335 3.308 3.379 0.079 9 0 "[ . 1 . 2]" 1 260 1 85 GLU H 1 85 GLU QB 3.000 . 4.300 2.277 2.047 2.739 . 0 0 "[ . 1 . 2]" 1 261 1 82 LYS HA 1 86 GLY H 4.000 . 6.000 4.480 4.220 4.770 . 0 0 "[ . 1 . 2]" 1 262 1 83 ILE HA 1 86 GLY H . . 3.300 3.338 3.323 3.350 0.050 17 0 "[ . 1 . 2]" 1 263 1 85 GLU H 1 86 GLY H 3.000 . 3.300 2.519 2.409 2.593 . 0 0 "[ . 1 . 2]" 1 264 1 85 GLU QB 1 86 GLY H 3.000 . 4.300 3.125 2.805 3.745 . 0 0 "[ . 1 . 2]" 1 265 1 86 GLY H 1 87 HIS H 3.000 . 3.300 2.360 2.145 2.582 . 0 0 "[ . 1 . 2]" 1 266 1 87 HIS H 1 87 HIS QB 3.000 . 4.300 2.899 2.111 3.459 . 0 0 "[ . 1 . 2]" 1 267 1 86 GLY QA 1 87 HIS H 3.000 . 4.300 2.811 2.638 2.904 . 0 0 "[ . 1 . 2]" 1 268 1 84 LEU HA 1 87 HIS H 3.000 . 3.300 3.339 3.290 3.397 0.097 14 0 "[ . 1 . 2]" 1 269 1 87 HIS H 1 88 LEU H 3.000 . 3.300 2.573 1.987 2.971 . 0 0 "[ . 1 . 2]" 1 270 1 88 LEU H 1 88 LEU QB 3.000 . 4.300 2.576 2.070 2.911 . 0 0 "[ . 1 . 2]" 1 271 1 88 LEU H 1 88 LEU HG 4.000 . 6.000 4.600 3.288 5.276 . 0 0 "[ . 1 . 2]" 1 272 1 86 GLY QA 1 88 LEU H 4.000 . 6.000 4.637 3.718 5.092 . 0 0 "[ . 1 . 2]" 1 273 1 41 ALA H 1 54 LEU H 4.000 . 5.000 3.667 2.784 4.420 . 0 0 "[ . 1 . 2]" 1 274 1 43 ILE H 1 52 HIS H 4.000 . 5.000 3.718 2.746 4.613 . 0 0 "[ . 1 . 2]" 1 275 1 39 GLU H 1 56 LEU H 4.000 . 5.000 4.607 3.913 5.020 0.020 14 0 "[ . 1 . 2]" 1 276 1 43 ILE H 1 53 VAL HA 4.000 . 5.000 3.475 2.649 4.342 . 0 0 "[ . 1 . 2]" 1 277 1 44 SER QB 1 52 HIS H 4.000 . 6.000 4.635 3.026 5.326 . 0 0 "[ . 1 . 2]" 1 278 1 44 SER HA 1 52 HIS H 4.000 . 5.000 3.402 2.377 3.782 . 0 0 "[ . 1 . 2]" 1 279 1 40 ILE HA 1 56 LEU H 4.000 . 5.000 2.625 2.048 3.444 . 0 0 "[ . 1 . 2]" 1 280 1 41 ALA H 1 55 PHE HA 4.000 . 5.000 3.536 1.964 4.063 . 0 0 "[ . 1 . 2]" 1 281 1 42 ILE HA 1 54 LEU H 4.000 . 5.000 3.388 2.726 4.424 . 0 0 "[ . 1 . 2]" 1 282 1 7 LYS HA 1 44 SER H 4.000 . 5.000 3.570 2.693 4.306 . 0 0 "[ . 1 . 2]" 1 283 1 6 LEU H 1 44 SER H 4.000 . 5.000 3.563 2.481 4.416 . 0 0 "[ . 1 . 2]" 1 284 1 8 GLY H 1 43 ILE HA 4.000 . 5.000 3.466 2.885 4.157 . 0 0 "[ . 1 . 2]" 1 285 1 8 GLY H 1 42 ILE H 4.000 . 5.000 3.834 2.874 4.727 . 0 0 "[ . 1 . 2]" 1 286 1 8 GLY QA 1 42 ILE H 4.000 . 5.000 4.053 3.386 4.467 . 0 0 "[ . 1 . 2]" 1 287 1 8 GLY H 1 42 ILE HB 4.000 . 5.000 4.179 3.328 4.995 . 0 0 "[ . 1 . 2]" 1 288 1 9 ILE HA 1 42 ILE H 4.000 . 5.000 3.642 2.667 4.629 . 0 0 "[ . 1 . 2]" 1 289 1 10 PHE H 1 41 ALA HA 4.000 . 5.000 2.958 2.197 3.587 . 0 0 "[ . 1 . 2]" 1 290 1 10 PHE H 1 40 ILE H 4.000 . 5.000 3.924 3.088 4.639 . 0 0 "[ . 1 . 2]" 1 291 1 12 LEU H 1 39 GLU HA 4.000 . 5.000 3.000 1.991 3.603 . 0 0 "[ . 1 . 2]" 1 292 1 12 LEU H 1 38 ASP H 4.000 . 5.000 4.723 3.150 5.075 0.075 14 0 "[ . 1 . 2]" 1 293 1 12 LEU HA 1 15 LEU H 4.000 . 5.000 4.826 4.378 5.194 0.194 7 0 "[ . 1 . 2]" 1 294 1 65 ILE H 1 67 LYS H 4.000 . 5.000 4.151 3.285 4.930 . 0 0 "[ . 1 . 2]" 1 295 1 66 ARG H 1 68 GLU H 4.000 . 5.000 3.941 3.644 4.288 . 0 0 "[ . 1 . 2]" 1 296 1 67 LYS H 1 69 LEU H 4.000 . 5.000 4.358 4.113 4.640 . 0 0 "[ . 1 . 2]" 1 297 1 68 GLU H 1 70 GLU H 4.000 . 5.000 4.250 4.009 4.633 . 0 0 "[ . 1 . 2]" 1 298 1 69 LEU H 1 71 GLU H 4.000 . 5.000 4.000 3.802 4.231 . 0 0 "[ . 1 . 2]" 1 299 1 70 GLU H 1 72 ALA H 4.000 . 5.000 4.252 3.975 4.501 . 0 0 "[ . 1 . 2]" 1 300 1 80 THR H 1 82 LYS H 4.000 . 5.000 4.312 2.932 5.178 0.178 18 0 "[ . 1 . 2]" 1 301 1 81 LEU H 1 83 ILE H 4.000 . 5.000 4.433 3.884 5.000 0.000 11 0 "[ . 1 . 2]" 1 302 1 82 LYS H 1 84 LEU H 4.000 . 5.000 3.947 3.540 4.608 . 0 0 "[ . 1 . 2]" 1 303 1 83 ILE H 1 85 GLU H 4.000 . 5.000 4.193 3.875 4.559 . 0 0 "[ . 1 . 2]" 1 304 1 84 LEU H 1 86 GLY H 4.000 . 5.000 3.810 3.594 4.028 . 0 0 "[ . 1 . 2]" 1 305 1 86 GLY H 1 88 LEU H 4.000 . 5.000 4.313 3.498 4.913 . 0 0 "[ . 1 . 2]" 1 306 1 14 ASP H 1 15 LEU H 4.000 . 5.000 2.749 2.218 3.648 . 0 0 "[ . 1 . 2]" 1 307 1 40 ILE HA 1 55 PHE HA 3.000 . 3.300 2.790 1.942 3.226 . 0 0 "[ . 1 . 2]" 1 308 1 42 ILE HA 1 53 VAL HA 3.000 . 3.300 2.639 2.086 3.214 . 0 0 "[ . 1 . 2]" 1 309 1 7 LYS HA 1 43 ILE HA 3.000 . 3.300 2.572 2.052 3.103 . 0 0 "[ . 1 . 2]" 1 310 1 9 ILE HA 1 41 ALA HA 3.000 . 3.300 2.863 1.971 3.309 0.009 10 0 "[ . 1 . 2]" 1 311 1 40 ILE MD 1 55 PHE QB 4.000 . 8.300 4.024 1.884 5.618 . 0 0 "[ . 1 . 2]" 1 312 1 45 ILE H 1 50 SER H 4.000 . 5.000 4.998 4.611 5.132 0.132 10 0 "[ . 1 . 2]" 1 313 1 44 SER HA 1 51 ASN HA 4.000 . 5.000 3.036 1.982 4.507 . 0 0 "[ . 1 . 2]" 1 314 1 45 ILE H 1 51 ASN HA 4.000 . 5.000 3.469 1.972 5.008 0.008 19 0 "[ . 1 . 2]" 1 315 1 46 LYS HA 1 50 SER H 4.000 . 5.000 4.708 3.376 5.122 0.122 13 0 "[ . 1 . 2]" 1 316 1 65 ILE HA 1 68 GLU QB 4.000 . 6.000 2.805 2.149 3.825 . 0 0 "[ . 1 . 2]" 1 317 1 66 ARG HA 1 69 LEU QB 4.000 . 6.000 3.158 2.332 3.590 . 0 0 "[ . 1 . 2]" 1 318 1 67 LYS HA 1 70 GLU QB 4.000 . 6.000 2.922 2.264 4.084 . 0 0 "[ . 1 . 2]" 1 319 1 68 GLU HA 1 71 GLU QB 4.000 . 6.000 2.923 2.478 4.134 . 0 0 "[ . 1 . 2]" 1 320 1 69 LEU HA 1 72 ALA MB 4.000 . 6.000 2.756 1.987 3.147 . 0 0 "[ . 1 . 2]" 1 321 1 21 PRO HA 1 24 ASP QB 4.000 . 6.000 3.880 2.588 5.299 . 0 0 "[ . 1 . 2]" 1 322 1 22 PHE HA 1 25 TYR QB 4.000 . 6.000 4.979 4.604 5.102 . 0 0 "[ . 1 . 2]" 1 323 1 23 VAL HA 1 26 LYS QB 4.000 . 6.000 3.428 2.835 4.146 . 0 0 "[ . 1 . 2]" 1 324 1 24 ASP HA 1 27 ALA MB 4.000 . 6.000 2.681 2.103 3.149 . 0 0 "[ . 1 . 2]" 1 325 1 26 LYS HA 1 29 LEU QB 4.000 . 6.000 2.445 1.966 3.923 . 0 0 "[ . 1 . 2]" 1 326 1 82 LYS HA 1 85 GLU QB 4.000 . 6.000 2.937 2.351 3.983 . 0 0 "[ . 1 . 2]" 1 327 1 83 ILE HA 1 86 GLY QA 4.000 . 6.000 3.663 3.338 4.063 . 0 0 "[ . 1 . 2]" 1 328 1 84 LEU HA 1 87 HIS QB 4.000 . 7.000 4.527 2.243 5.883 . 0 0 "[ . 1 . 2]" 1 329 1 85 GLU HA 1 88 LEU QB 4.000 . 6.000 4.401 3.404 5.419 . 0 0 "[ . 1 . 2]" 1 330 1 43 ILE MD 1 69 LEU QD 4.000 . 7.400 2.767 1.915 3.526 . 0 0 "[ . 1 . 2]" 1 331 1 43 ILE QG 1 69 LEU QD 4.000 . 8.300 3.379 2.408 4.149 . 0 0 "[ . 1 . 2]" 1 332 1 43 ILE MD 1 69 LEU HG 4.000 . 8.300 3.084 2.226 6.140 . 0 0 "[ . 1 . 2]" 1 333 1 45 ILE MD 1 74 ALA MB 4.000 . 7.400 3.600 2.310 5.041 . 0 0 "[ . 1 . 2]" 1 334 1 45 ILE QG 1 74 ALA MB 4.000 . 7.400 2.773 1.809 4.256 . 0 0 "[ . 1 . 2]" 1 335 1 7 LYS QE 1 70 GLU QG 4.000 . 8.300 4.688 1.973 6.645 . 0 0 "[ . 1 . 2]" 1 336 1 11 THR H 1 15 LEU H 4.000 . 5.000 4.538 3.731 5.028 0.028 5 0 "[ . 1 . 2]" 1 337 1 54 LEU QD 1 83 ILE MD 4.000 . 8.300 3.914 2.532 4.955 . 0 0 "[ . 1 . 2]" 1 338 1 54 LEU QD 1 84 LEU QD 4.000 . 8.300 2.972 1.684 3.919 0.116 1 0 "[ . 1 . 2]" 1 339 1 55 PHE QB 1 88 LEU QD 4.000 . 7.400 2.923 1.706 4.611 0.094 1 0 "[ . 1 . 2]" 1 340 1 8 GLY QA 1 42 ILE HB 4.000 . 6.000 4.191 2.970 5.135 . 0 0 "[ . 1 . 2]" 1 341 1 41 ALA MB 1 54 LEU H 4.000 . 6.000 3.934 3.126 4.506 . 0 0 "[ . 1 . 2]" 1 342 1 41 ALA MB 1 54 LEU QB 4.000 . 6.000 3.082 2.272 4.090 . 0 0 "[ . 1 . 2]" 1 343 1 44 SER HA 1 51 ASN QB 4.000 . 6.000 2.482 1.761 5.351 0.039 14 0 "[ . 1 . 2]" 1 344 1 44 SER QB 1 51 ASN QB 4.000 . 6.000 2.832 1.905 4.100 . 0 0 "[ . 1 . 2]" 1 345 1 44 SER QB 1 51 ASN HA 4.000 . 6.000 4.034 1.885 5.422 . 0 0 "[ . 1 . 2]" 1 346 1 3 ILE QG 1 74 ALA MB 4.000 . 8.300 4.298 3.440 5.060 . 0 0 "[ . 1 . 2]" 1 347 1 3 ILE QG 1 5 THR HG1 4.000 . 6.000 2.253 1.865 3.092 . 0 0 "[ . 1 . 2]" 1 348 1 3 ILE MD 1 46 LYS QE 4.000 . 8.300 4.780 1.791 6.134 0.009 10 0 "[ . 1 . 2]" 1 349 1 5 THR HB 1 43 ILE QG 4.000 . 7.400 4.259 2.610 5.207 . 0 0 "[ . 1 . 2]" 1 350 1 5 THR HB 1 45 ILE QG 4.000 . 7.400 3.647 2.253 5.331 . 0 0 "[ . 1 . 2]" 1 351 1 5 THR HB 1 74 ALA MB 4.000 . 7.400 4.458 2.767 6.035 . 0 0 "[ . 1 . 2]" 1 352 1 5 THR HG1 1 45 ILE QG 4.000 . 7.400 2.368 1.687 3.280 0.113 15 0 "[ . 1 . 2]" 1 353 1 5 THR HG1 1 74 ALA MB 4.000 . 7.400 2.924 1.836 4.123 . 0 0 "[ . 1 . 2]" 1 354 1 6 LEU QB 1 44 SER H 4.000 . 6.000 3.541 2.413 5.331 . 0 0 "[ . 1 . 2]" 1 355 1 7 LYS HA 1 43 ILE QG 4.000 . 7.400 2.752 1.913 3.867 . 0 0 "[ . 1 . 2]" 1 356 1 7 LYS HA 1 43 ILE MD 4.000 . 6.000 3.984 2.169 5.013 . 0 0 "[ . 1 . 2]" 1 357 1 7 LYS QG 1 43 ILE QG 4.000 . 7.400 2.667 1.726 4.539 0.074 8 0 "[ . 1 . 2]" 1 358 1 7 LYS QG 1 43 ILE MD 4.000 . 6.000 3.545 2.134 4.372 . 0 0 "[ . 1 . 2]" 1 359 1 7 LYS QG 1 73 GLY QA 4.000 . 7.400 5.051 3.900 5.802 . 0 0 "[ . 1 . 2]" 1 360 1 9 ILE QG 1 56 LEU QD 4.000 . 7.400 3.500 2.652 4.047 . 0 0 "[ . 1 . 2]" 1 361 1 10 PHE HA 1 16 PRO HA 4.000 . 6.000 5.475 3.878 6.111 0.111 14 0 "[ . 1 . 2]" 1 362 1 10 PHE HA 1 17 GLU H 4.000 . 5.000 4.277 3.629 5.047 0.047 8 0 "[ . 1 . 2]" 1 363 1 10 PHE HA 1 17 GLU QB 4.000 . 6.000 4.718 3.107 5.407 . 0 0 "[ . 1 . 2]" 1 364 1 10 PHE QB 1 15 LEU QB 4.000 . 7.400 3.516 1.747 5.969 0.053 19 0 "[ . 1 . 2]" 1 365 1 10 PHE QB 1 23 VAL QG 4.000 . 7.400 3.082 1.742 3.724 0.058 4 0 "[ . 1 . 2]" 1 366 1 10 PHE QD 1 23 VAL QG 4.000 . 7.400 2.445 1.802 3.531 . 0 0 "[ . 1 . 2]" 1 367 1 10 PHE QD 1 42 ILE QG 4.000 . 7.400 3.322 1.915 4.054 . 0 0 "[ . 1 . 2]" 1 368 1 10 PHE QD 1 40 ILE QG 4.000 . 7.400 3.877 2.822 4.842 . 0 0 "[ . 1 . 2]" 1 369 1 10 PHE QE 1 18 GLU QB 4.000 . 7.400 5.241 2.557 6.174 . 0 0 "[ . 1 . 2]" 1 370 1 10 PHE QE 1 21 PRO HA 4.000 . 7.400 4.389 1.958 6.806 . 0 0 "[ . 1 . 2]" 1 371 1 10 PHE QE 1 22 PHE H 4.000 . 7.400 3.875 2.680 6.053 . 0 0 "[ . 1 . 2]" 1 372 1 10 PHE QD 1 16 PRO QB 4.000 . 7.400 4.946 2.676 6.204 . 0 0 "[ . 1 . 2]" 1 373 1 13 LYS QG 1 38 ASP QB 4.000 . 6.000 4.242 1.711 4.815 0.089 14 0 "[ . 1 . 2]" 1 374 1 13 LYS QD 1 27 ALA MB 4.000 . 6.000 3.510 1.838 4.414 . 0 0 "[ . 1 . 2]" 1 375 1 13 LYS QD 1 27 ALA HA 4.000 . 7.400 5.793 2.871 6.658 . 0 0 "[ . 1 . 2]" 1 376 1 13 LYS QE 1 27 ALA MB 4.000 . 6.000 3.375 1.870 4.445 . 0 0 "[ . 1 . 2]" 1 377 1 13 LYS QE 1 34 LEU QB 4.000 . 6.000 2.911 1.836 4.435 . 0 0 "[ . 1 . 2]" 1 378 1 13 LYS QE 1 34 LEU QD 4.000 . 7.400 2.909 1.858 4.372 . 0 0 "[ . 1 . 2]" 1 379 1 14 ASP QB 1 36 ASP HA 4.000 . 7.400 6.118 4.456 6.666 . 0 0 "[ . 1 . 2]" 1 380 1 15 LEU HA 1 16 PRO QD 3.000 . 4.300 2.702 1.921 3.542 . 0 0 "[ . 1 . 2]" 1 381 1 16 PRO HA 1 21 PRO HA 4.000 . 6.000 3.986 1.793 5.998 0.007 16 0 "[ . 1 . 2]" 1 382 1 16 PRO HA 1 21 PRO QB 4.000 . 7.400 4.303 2.294 6.333 . 0 0 "[ . 1 . 2]" 1 383 1 16 PRO HA 1 22 PHE H 4.000 . 7.400 4.929 2.794 7.121 . 0 0 "[ . 1 . 2]" 1 384 1 16 PRO HA 1 23 VAL QG 4.000 . 7.400 4.670 3.876 5.537 . 0 0 "[ . 1 . 2]" 1 385 1 16 PRO QB 1 20 ARG H 4.000 . 7.400 3.651 2.283 5.280 . 0 0 "[ . 1 . 2]" 1 386 1 16 PRO QB 1 20 ARG HA 4.000 . 6.000 3.334 1.942 5.133 . 0 0 "[ . 1 . 2]" 1 387 1 16 PRO QB 1 20 ARG QB 4.000 . 7.400 4.397 3.661 5.602 . 0 0 "[ . 1 . 2]" 1 388 1 16 PRO QB 1 21 PRO QD 4.000 . 6.000 2.830 1.713 4.103 0.087 14 0 "[ . 1 . 2]" 1 389 1 23 VAL HB 1 40 ILE QG 4.000 . 7.400 3.305 1.902 4.881 . 0 0 "[ . 1 . 2]" 1 390 1 23 VAL HB 1 40 ILE MD 4.000 . 7.400 3.899 1.969 6.043 . 0 0 "[ . 1 . 2]" 1 391 1 23 VAL HB 1 42 ILE MD 4.000 . 7.400 4.138 2.093 5.895 . 0 0 "[ . 1 . 2]" 1 392 1 23 VAL HB 1 53 VAL QG 4.000 . 7.400 3.954 3.005 5.153 . 0 0 "[ . 1 . 2]" 1 393 1 23 VAL QG 1 42 ILE MD 4.000 . 7.400 2.505 1.649 4.116 0.151 1 0 "[ . 1 . 2]" 1 394 1 23 VAL QG 1 40 ILE QG 4.000 . 7.400 2.171 1.603 3.220 0.197 15 0 "[ . 1 . 2]" 1 395 1 23 VAL QG 1 40 ILE MD 4.000 . 7.400 2.625 1.847 3.578 . 0 0 "[ . 1 . 2]" 1 396 1 23 VAL QG 1 42 ILE QG 4.000 . 7.400 2.970 2.114 3.880 . 0 0 "[ . 1 . 2]" 1 397 1 23 VAL QG 1 53 VAL QG 4.000 . 7.400 2.403 1.658 3.188 0.142 1 0 "[ . 1 . 2]" 1 398 1 26 LYS QB 1 40 ILE MD 4.000 . 7.400 3.818 2.658 5.365 . 0 0 "[ . 1 . 2]" 1 399 1 26 LYS QB 1 40 ILE QG 4.000 . 7.400 4.093 2.973 4.937 . 0 0 "[ . 1 . 2]" 1 400 1 26 LYS QB 1 53 VAL QG 4.000 . 7.400 4.228 3.469 4.787 . 0 0 "[ . 1 . 2]" 1 401 1 26 LYS QD 1 40 ILE QG 4.000 . 7.400 3.524 2.051 4.845 . 0 0 "[ . 1 . 2]" 1 402 1 26 LYS QD 1 40 ILE MD 4.000 . 7.400 3.324 2.072 4.919 . 0 0 "[ . 1 . 2]" 1 403 1 26 LYS QD 1 53 VAL QG 4.000 . 7.400 3.664 2.692 4.714 . 0 0 "[ . 1 . 2]" 1 404 1 26 LYS QD 1 55 PHE HA 4.000 . 7.400 5.196 4.196 6.224 . 0 0 "[ . 1 . 2]" 1 405 1 26 LYS QD 1 55 PHE QB 4.000 . 6.000 4.039 3.278 4.738 . 0 0 "[ . 1 . 2]" 1 406 1 27 ALA H 1 40 ILE MD 4.000 . 7.400 4.965 3.842 5.927 . 0 0 "[ . 1 . 2]" 1 407 1 27 ALA HA 1 32 LYS QB 4.000 . 6.000 3.655 2.423 5.062 . 0 0 "[ . 1 . 2]" 1 408 1 27 ALA HA 1 32 LYS QD 4.000 . 6.000 3.966 2.302 5.400 . 0 0 "[ . 1 . 2]" 1 409 1 27 ALA HA 1 40 ILE MD 4.000 . 7.400 4.872 3.819 5.645 . 0 0 "[ . 1 . 2]" 1 410 1 27 ALA MB 1 34 LEU QB 4.000 . 7.400 4.379 2.084 5.355 . 0 0 "[ . 1 . 2]" 1 411 1 27 ALA MB 1 34 LEU QD 4.000 . 7.400 2.995 1.767 4.360 0.033 7 0 "[ . 1 . 2]" 1 412 1 27 ALA MB 1 40 ILE MD 4.000 . 7.400 4.033 2.796 4.964 . 0 0 "[ . 1 . 2]" 1 413 1 28 GLY QA 1 34 LEU QD 4.000 . 7.400 3.506 2.302 4.950 . 0 0 "[ . 1 . 2]" 1 414 1 39 GLU H 1 56 LEU QB 4.000 . 6.000 4.334 3.267 5.224 . 0 0 "[ . 1 . 2]" 1 415 1 39 GLU QB 1 56 LEU QD 4.000 . 6.000 2.953 1.874 3.734 . 0 0 "[ . 1 . 2]" 1 416 1 39 GLU QG 1 40 ILE H 4.000 . 6.000 3.700 2.551 4.690 . 0 0 "[ . 1 . 2]" 1 417 1 40 ILE HA 1 55 PHE QB 4.000 . 7.400 4.577 1.974 5.270 . 0 0 "[ . 1 . 2]" 1 418 1 40 ILE HA 1 56 LEU QB 4.000 . 7.400 3.509 2.171 5.265 . 0 0 "[ . 1 . 2]" 1 419 1 40 ILE HA 1 56 LEU HG 4.000 . 7.400 4.327 2.351 6.610 . 0 0 "[ . 1 . 2]" 1 420 1 40 ILE HB 1 42 ILE MD 4.000 . 7.400 4.138 2.173 6.003 . 0 0 "[ . 1 . 2]" 1 421 1 40 ILE QG 1 42 ILE MD 4.000 . 7.400 2.956 1.846 4.185 . 0 0 "[ . 1 . 2]" 1 422 1 40 ILE QG 1 55 PHE HA 4.000 . 7.400 2.617 1.939 3.353 . 0 0 "[ . 1 . 2]" 1 423 1 40 ILE QG 1 55 PHE QB 4.000 . 7.400 3.593 2.367 4.531 . 0 0 "[ . 1 . 2]" 1 424 1 41 ALA MB 1 69 LEU QD 4.000 . 7.400 2.449 1.864 3.050 . 0 0 "[ . 1 . 2]" 1 425 1 42 ILE QG 1 53 VAL QG 4.000 . 7.400 2.204 1.646 3.763 0.154 3 0 "[ . 1 . 2]" 1 426 1 43 ILE MD 1 69 LEU QB 4.000 . 7.400 4.281 3.170 5.258 . 0 0 "[ . 1 . 2]" 1 427 1 45 ILE MD 1 52 HIS QB 4.000 . 7.400 4.662 2.186 5.505 . 0 0 "[ . 1 . 2]" 1 428 1 46 LYS QB 1 48 THR H 4.000 . 6.000 3.719 2.510 5.139 . 0 0 "[ . 1 . 2]" 1 429 1 46 LYS QG 1 47 GLY H 4.000 . 7.400 4.198 3.303 4.911 . 0 0 "[ . 1 . 2]" 1 430 1 46 LYS QD 1 47 GLY H 4.000 . 7.400 4.436 2.104 5.383 . 0 0 "[ . 1 . 2]" 1 431 1 46 LYS QD 1 48 THR HG1 4.000 . 7.400 4.603 2.970 5.192 . 0 0 "[ . 1 . 2]" 1 432 1 47 GLY H 1 49 GLN H 4.000 . 5.000 4.036 3.161 5.084 0.084 4 0 "[ . 1 . 2]" 1 433 1 47 GLY H 1 50 SER H 4.000 . 6.000 4.147 3.106 5.571 . 0 0 "[ . 1 . 2]" 1 434 1 47 GLY QA 1 50 SER H 4.000 . 6.000 4.207 3.577 4.972 . 0 0 "[ . 1 . 2]" 1 435 1 47 GLY QA 1 51 ASN HA 4.000 . 6.000 4.745 2.641 5.201 . 0 0 "[ . 1 . 2]" 1 436 1 49 GLN H 1 50 SER HA 4.000 . 6.000 4.700 3.884 5.495 . 0 0 "[ . 1 . 2]" 1 437 1 49 GLN HA 1 50 SER HA 4.000 . 6.000 4.590 4.297 5.059 . 0 0 "[ . 1 . 2]" 1 438 1 52 HIS QB 1 78 HIS HD1 4.000 . 7.400 4.672 3.786 5.878 . 0 0 "[ . 1 . 2]" 1 439 1 54 LEU QB 1 56 LEU QD 4.000 . 6.000 3.185 2.601 3.741 . 0 0 "[ . 1 . 2]" 1 440 1 54 LEU QB 1 69 LEU QD 4.000 . 7.400 3.216 2.399 4.457 . 0 0 "[ . 1 . 2]" 1 441 1 54 LEU QB 1 72 ALA MB 4.000 . 7.400 4.568 3.787 5.448 . 0 0 "[ . 1 . 2]" 1 442 1 54 LEU HG 1 72 ALA MB 4.000 . 7.400 4.355 3.293 5.605 . 0 0 "[ . 1 . 2]" 1 443 1 54 LEU QD 1 72 ALA MB 4.000 . 7.400 2.811 1.848 3.719 . 0 0 "[ . 1 . 2]" 1 444 1 56 LEU QD 1 69 LEU QD 4.000 . 7.400 2.245 1.578 2.981 0.222 4 0 "[ . 1 . 2]" 1 445 1 59 TYR HA 1 65 ILE QG 4.000 . 7.400 3.552 1.837 5.374 . 0 0 "[ . 1 . 2]" 1 446 1 59 TYR QE 1 65 ILE QG 4.000 . 7.400 2.860 1.854 4.033 . 0 0 "[ . 1 . 2]" 1 447 1 59 TYR QE 1 65 ILE MD 4.000 . 7.400 3.345 2.030 4.984 . 0 0 "[ . 1 . 2]" 1 448 1 59 TYR QD 1 65 ILE QG 4.000 . 7.400 2.854 1.906 3.823 . 0 0 "[ . 1 . 2]" 1 449 1 59 TYR QD 1 65 ILE MD 4.000 . 7.400 3.301 1.951 4.981 . 0 0 "[ . 1 . 2]" 1 450 1 60 ASN H 1 65 ILE QG 4.000 . 7.400 3.599 1.949 5.282 . 0 0 "[ . 1 . 2]" 1 451 1 62 VAL QG 1 65 ILE QG 4.000 . 7.400 2.512 1.579 3.863 0.221 19 0 "[ . 1 . 2]" 1 452 1 5 THR HA 1 5 THR HB 2.500 . 2.700 2.550 2.376 2.687 . 0 0 "[ . 1 . 2]" 1 453 1 5 THR HA 1 5 THR HG1 3.000 . 4.300 2.272 2.066 2.485 . 0 0 "[ . 1 . 2]" 1 454 1 7 LYS HA 1 7 LYS QB 2.500 . 3.700 2.333 2.154 2.531 . 0 0 "[ . 1 . 2]" 1 455 1 7 LYS HA 1 7 LYS QG 3.000 . 4.300 2.659 2.126 3.433 . 0 0 "[ . 1 . 2]" 1 456 1 7 LYS QB 1 7 LYS QD 3.000 . 4.300 2.147 1.945 2.447 . 0 0 "[ . 1 . 2]" 1 457 1 7 LYS QE 1 7 LYS QG 3.000 . 4.300 2.167 1.946 2.888 . 0 0 "[ . 1 . 2]" 1 458 1 9 ILE HA 1 9 ILE HB 2.500 . 3.700 2.855 2.446 3.022 . 0 0 "[ . 1 . 2]" 1 459 1 9 ILE HB 1 9 ILE MD 3.000 . 4.300 2.462 2.031 3.226 . 0 0 "[ . 1 . 2]" 1 460 1 10 PHE HA 1 10 PHE QB 2.500 . 3.700 2.443 2.155 2.526 . 0 0 "[ . 1 . 2]" 1 461 1 11 THR HA 1 11 THR HB 2.500 . 2.700 2.517 2.335 2.801 0.101 14 0 "[ . 1 . 2]" 1 462 1 12 LEU HA 1 12 LEU QB 2.500 . 3.700 2.321 2.132 2.529 . 0 0 "[ . 1 . 2]" 1 463 1 13 LYS HA 1 13 LYS QB 2.500 . 3.700 2.351 2.143 2.536 . 0 0 "[ . 1 . 2]" 1 464 1 13 LYS HA 1 13 LYS QG 3.000 . 4.300 2.810 2.170 3.501 . 0 0 "[ . 1 . 2]" 1 465 1 13 LYS QB 1 13 LYS QD 3.000 . 4.300 2.347 2.112 2.949 . 0 0 "[ . 1 . 2]" 1 466 1 14 ASP HA 1 14 ASP QB 2.500 . 3.700 2.407 2.176 2.537 . 0 0 "[ . 1 . 2]" 1 467 1 20 ARG HA 1 20 ARG QB 2.500 . 3.700 2.379 2.168 2.539 . 0 0 "[ . 1 . 2]" 1 468 1 20 ARG HA 1 20 ARG QG 3.000 . 4.300 2.605 2.005 3.358 . 0 0 "[ . 1 . 2]" 1 469 1 20 ARG QB 1 20 ARG QD 3.000 . 4.300 2.188 1.983 2.525 . 0 0 "[ . 1 . 2]" 1 470 1 26 LYS HA 1 26 LYS QG 3.000 . 4.300 2.567 2.027 3.433 . 0 0 "[ . 1 . 2]" 1 471 1 29 LEU HA 1 29 LEU QB 2.500 . 3.700 2.335 2.149 2.536 . 0 0 "[ . 1 . 2]" 1 472 1 30 GLU HA 1 30 GLU QB 2.500 . 3.700 2.399 2.181 2.529 . 0 0 "[ . 1 . 2]" 1 473 1 31 LYS HA 1 31 LYS QB 2.500 . 3.700 2.330 2.167 2.512 . 0 0 "[ . 1 . 2]" 1 474 1 31 LYS HA 1 31 LYS QG 3.000 . 4.300 2.720 2.148 3.362 . 0 0 "[ . 1 . 2]" 1 475 1 31 LYS QB 1 31 LYS QD 3.000 . 4.300 2.118 1.932 2.324 . 0 0 "[ . 1 . 2]" 1 476 1 32 LYS HA 1 32 LYS QB 2.500 . 3.700 2.423 2.178 2.540 . 0 0 "[ . 1 . 2]" 1 477 1 32 LYS HA 1 32 LYS QG 3.000 . 4.300 2.460 2.021 3.385 . 0 0 "[ . 1 . 2]" 1 478 1 33 LYS HA 1 33 LYS QB 2.500 . 3.700 2.415 2.173 2.539 . 0 0 "[ . 1 . 2]" 1 479 1 33 LYS HA 1 33 LYS QG 3.000 . 4.300 2.516 2.009 3.415 . 0 0 "[ . 1 . 2]" 1 480 1 34 LEU HA 1 34 LEU QB 2.500 . 3.700 2.292 2.143 2.532 . 0 0 "[ . 1 . 2]" 1 481 1 35 SER HA 1 35 SER QB 2.500 . 3.700 2.373 2.159 2.542 . 0 0 "[ . 1 . 2]" 1 482 1 36 ASP HA 1 36 ASP QB 2.500 . 3.700 2.356 2.153 2.541 . 0 0 "[ . 1 . 2]" 1 483 1 37 ASP HA 1 37 ASP QB 2.500 . 3.700 2.402 2.183 2.534 . 0 0 "[ . 1 . 2]" 1 484 1 38 ASP HA 1 38 ASP QB 2.500 . 3.700 2.463 2.164 2.539 . 0 0 "[ . 1 . 2]" 1 485 1 39 GLU HA 1 39 GLU QB 2.500 . 3.700 2.421 2.170 2.535 . 0 0 "[ . 1 . 2]" 1 486 1 40 ILE HA 1 40 ILE HB 2.500 . 3.700 2.955 2.400 3.019 . 0 0 "[ . 1 . 2]" 1 487 1 40 ILE HB 1 40 ILE MD 3.000 . 4.300 2.619 2.048 3.229 . 0 0 "[ . 1 . 2]" 1 488 1 42 ILE HA 1 42 ILE HB 2.500 . 3.700 2.883 2.498 3.025 . 0 0 "[ . 1 . 2]" 1 489 1 42 ILE HB 1 42 ILE MD 3.000 . 4.300 2.590 2.074 3.231 . 0 0 "[ . 1 . 2]" 1 490 1 43 ILE HA 1 43 ILE HB 2.500 . 3.700 2.946 2.474 3.019 . 0 0 "[ . 1 . 2]" 1 491 1 43 ILE HB 1 43 ILE MD 3.000 . 4.300 2.622 1.999 3.230 . 0 0 "[ . 1 . 2]" 1 492 1 44 SER HA 1 44 SER QB 2.500 . 3.700 2.248 2.157 2.512 . 0 0 "[ . 1 . 2]" 1 493 1 45 ILE HA 1 45 ILE HB 3.000 . 4.300 2.755 2.420 3.024 . 0 0 "[ . 1 . 2]" 1 494 1 45 ILE HB 1 45 ILE MD 3.000 . 4.300 2.481 2.049 3.228 . 0 0 "[ . 1 . 2]" 1 495 1 53 VAL HA 1 53 VAL HB 3.000 . 3.300 2.661 2.438 3.023 . 0 0 "[ . 1 . 2]" 1 496 1 54 LEU HA 1 54 LEU QB 2.500 . 3.700 2.474 2.312 2.538 . 0 0 "[ . 1 . 2]" 1 497 1 55 PHE HA 1 55 PHE QB 2.500 . 3.700 2.361 2.156 2.536 . 0 0 "[ . 1 . 2]" 1 498 1 56 LEU HA 1 56 LEU QB 2.500 . 3.700 2.401 2.151 2.531 . 0 0 "[ . 1 . 2]" 1 499 1 57 SER HA 1 57 SER QB 2.500 . 3.700 2.370 2.167 2.537 . 0 0 "[ . 1 . 2]" 1 500 1 58 SER HA 1 58 SER QB 2.500 . 3.700 2.348 2.163 2.521 . 0 0 "[ . 1 . 2]" 1 501 1 59 TYR HA 1 59 TYR QB 2.500 . 3.700 2.400 2.163 2.536 . 0 0 "[ . 1 . 2]" 1 502 1 60 ASN HA 1 60 ASN QB 2.500 . 3.700 2.341 2.167 2.540 . 0 0 "[ . 1 . 2]" 1 503 1 61 SER HA 1 61 SER QB 2.500 . 3.700 2.302 2.165 2.509 . 0 0 "[ . 1 . 2]" 1 504 1 62 VAL HA 1 62 VAL HB 2.500 . 2.700 2.510 2.274 2.605 . 0 0 "[ . 1 . 2]" 1 505 1 63 ASP HA 1 63 ASP QB 2.500 . 3.700 2.359 2.157 2.539 . 0 0 "[ . 1 . 2]" 1 506 1 64 GLU HA 1 64 GLU QB 2.500 . 3.700 2.360 2.177 2.515 . 0 0 "[ . 1 . 2]" 1 507 1 65 ILE HA 1 65 ILE HB 2.500 . 3.700 2.607 2.256 3.020 . 0 0 "[ . 1 . 2]" 1 508 1 65 ILE HB 1 65 ILE MD 3.000 . 4.300 2.631 2.071 3.230 . 0 0 "[ . 1 . 2]" 1 509 1 66 ARG HA 1 66 ARG QB 2.500 . 3.700 2.382 2.169 2.526 . 0 0 "[ . 1 . 2]" 1 510 1 66 ARG HA 1 66 ARG QG 3.000 . 4.300 2.522 2.027 3.447 . 0 0 "[ . 1 . 2]" 1 511 1 66 ARG QB 1 66 ARG QD 3.000 . 4.300 2.159 1.950 2.494 . 0 0 "[ . 1 . 2]" 1 512 1 67 LYS HA 1 67 LYS QB 2.500 . 3.700 2.422 2.170 2.538 . 0 0 "[ . 1 . 2]" 1 513 1 67 LYS HA 1 67 LYS QG 3.000 . 4.300 2.435 2.072 3.342 . 0 0 "[ . 1 . 2]" 1 514 1 67 LYS QB 1 67 LYS QD 3.000 . 4.300 2.114 1.956 2.536 . 0 0 "[ . 1 . 2]" 1 515 1 67 LYS QE 1 67 LYS QG 3.000 . 4.300 2.174 2.001 2.426 . 0 0 "[ . 1 . 2]" 1 516 1 68 GLU HA 1 68 GLU QB 2.500 . 3.700 2.443 2.175 2.521 . 0 0 "[ . 1 . 2]" 1 517 1 69 LEU HA 1 69 LEU QB 2.500 . 3.700 2.451 2.332 2.530 . 0 0 "[ . 1 . 2]" 1 518 1 69 LEU HA 1 69 LEU HG 3.000 . 3.300 2.715 2.332 3.238 . 0 0 "[ . 1 . 2]" 1 519 1 69 LEU QB 1 69 LEU HG 2.500 . 3.700 2.409 2.325 2.493 . 0 0 "[ . 1 . 2]" 1 520 1 70 GLU HA 1 70 GLU QB 2.500 . 3.700 2.417 2.166 2.537 . 0 0 "[ . 1 . 2]" 1 521 1 75 LYS HA 1 75 LYS QG 3.000 . 4.300 2.455 2.004 3.347 . 0 0 "[ . 1 . 2]" 1 522 1 75 LYS QB 1 75 LYS QD 3.000 . 4.300 2.192 1.955 2.501 . 0 0 "[ . 1 . 2]" 1 523 1 76 ILE HA 1 76 ILE HB 2.500 . 3.700 2.773 2.379 3.023 . 0 0 "[ . 1 . 2]" 1 524 1 76 ILE HB 1 76 ILE MD 3.000 . 4.300 2.459 2.022 3.233 . 0 0 "[ . 1 . 2]" 1 525 1 77 ASN HA 1 77 ASN QB 2.500 . 3.700 2.346 2.180 2.536 . 0 0 "[ . 1 . 2]" 1 526 1 79 THR HA 1 79 THR HB 3.000 . 3.300 2.634 2.348 3.022 . 0 0 "[ . 1 . 2]" 1 527 1 80 THR HA 1 80 THR HB 2.500 . 2.700 2.419 2.267 2.985 0.285 13 0 "[ . 1 . 2]" 1 528 1 81 LEU HA 1 81 LEU QB 2.500 . 3.700 2.410 2.138 2.534 . 0 0 "[ . 1 . 2]" 1 529 1 81 LEU HA 1 81 LEU HG 3.000 . 3.300 2.708 2.161 3.312 0.012 11 0 "[ . 1 . 2]" 1 530 1 81 LEU QB 1 81 LEU HG 2.500 . 3.700 2.444 2.334 2.539 . 0 0 "[ . 1 . 2]" 1 531 1 82 LYS HA 1 82 LYS QB 2.500 . 3.700 2.431 2.171 2.536 . 0 0 "[ . 1 . 2]" 1 532 1 82 LYS HA 1 82 LYS QG 3.000 . 4.300 2.505 2.088 3.332 . 0 0 "[ . 1 . 2]" 1 533 1 82 LYS QB 1 82 LYS QD 3.000 . 4.300 2.214 1.953 2.687 . 0 0 "[ . 1 . 2]" 1 534 1 82 LYS QE 1 82 LYS QG 3.000 . 4.300 2.218 2.007 2.684 . 0 0 "[ . 1 . 2]" 1 535 1 83 ILE HA 1 83 ILE HB 2.500 . 3.700 2.548 2.395 3.023 . 0 0 "[ . 1 . 2]" 1 536 1 83 ILE HB 1 83 ILE MD 3.000 . 4.300 2.327 2.047 3.233 . 0 0 "[ . 1 . 2]" 1 537 1 84 LEU HA 1 84 LEU QB 2.500 . 3.700 2.406 2.161 2.538 . 0 0 "[ . 1 . 2]" 1 538 1 84 LEU HA 1 84 LEU HG 3.000 . 3.300 2.477 2.092 3.516 0.216 12 0 "[ . 1 . 2]" 1 539 1 84 LEU QB 1 84 LEU HG 2.500 . 3.700 2.504 2.451 2.541 . 0 0 "[ . 1 . 2]" 1 540 1 85 GLU HA 1 85 GLU QB 2.500 . 3.700 2.416 2.175 2.540 . 0 0 "[ . 1 . 2]" 1 541 1 87 HIS HA 1 87 HIS QB 2.500 . 3.700 2.277 2.175 2.539 . 0 0 "[ . 1 . 2]" 1 542 1 88 LEU HA 1 88 LEU QB 2.500 . 3.700 2.468 2.163 2.534 . 0 0 "[ . 1 . 2]" 1 stop_ save_ save_distance_constraint_statistics_2 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 2 _Distance_constraint_stats_list.Constraint_count 54 _Distance_constraint_stats_list.Viol_count 199 _Distance_constraint_stats_list.Viol_total 95.602 _Distance_constraint_stats_list.Viol_max 0.201 _Distance_constraint_stats_list.Viol_rms 0.0163 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0044 _Distance_constraint_stats_list.Viol_average_violations_only 0.0240 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details . loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 6 LEU 0.086 0.015 2 0 "[ . 1 . 2]" 1 8 GLY 0.070 0.016 3 0 "[ . 1 . 2]" 1 10 PHE 0.157 0.030 3 0 "[ . 1 . 2]" 1 11 THR 1.500 0.201 5 0 "[ . 1 . 2]" 1 12 LEU 0.142 0.087 14 0 "[ . 1 . 2]" 1 15 LEU 1.500 0.201 5 0 "[ . 1 . 2]" 1 16 PRO 1.030 0.135 1 0 "[ . 1 . 2]" 1 19 PHE 1.030 0.135 1 0 "[ . 1 . 2]" 1 25 TYR 0.128 0.041 18 0 "[ . 1 . 2]" 1 29 LEU 0.128 0.041 18 0 "[ . 1 . 2]" 1 38 ASP 0.142 0.087 14 0 "[ . 1 . 2]" 1 39 GLU 0.058 0.015 3 0 "[ . 1 . 2]" 1 40 ILE 0.157 0.030 3 0 "[ . 1 . 2]" 1 41 ALA 0.052 0.020 16 0 "[ . 1 . 2]" 1 42 ILE 0.070 0.016 3 0 "[ . 1 . 2]" 1 43 ILE 0.234 0.069 14 0 "[ . 1 . 2]" 1 44 SER 0.086 0.015 2 0 "[ . 1 . 2]" 1 52 HIS 0.234 0.069 14 0 "[ . 1 . 2]" 1 54 LEU 0.052 0.020 16 0 "[ . 1 . 2]" 1 56 LEU 0.058 0.015 3 0 "[ . 1 . 2]" 1 63 ASP 0.150 0.059 4 0 "[ . 1 . 2]" 1 65 ILE 0.128 0.043 12 0 "[ . 1 . 2]" 1 66 ARG 0.006 0.005 16 0 "[ . 1 . 2]" 1 67 LYS 0.180 0.059 4 0 "[ . 1 . 2]" 1 68 GLU 0.011 0.008 15 0 "[ . 1 . 2]" 1 69 LEU 0.179 0.043 12 0 "[ . 1 . 2]" 1 70 GLU 0.330 0.043 3 0 "[ . 1 . 2]" 1 71 GLU 0.284 0.032 8 0 "[ . 1 . 2]" 1 72 ALA 0.011 0.008 15 0 "[ . 1 . 2]" 1 73 GLY 0.051 0.014 19 0 "[ . 1 . 2]" 1 74 ALA 0.324 0.043 3 0 "[ . 1 . 2]" 1 75 LYS 0.254 0.032 8 0 "[ . 1 . 2]" 1 81 LEU 0.264 0.047 2 0 "[ . 1 . 2]" 1 82 LYS 0.005 0.005 19 0 "[ . 1 . 2]" 1 83 ILE 0.000 0.000 . 0 "[ . 1 . 2]" 1 84 LEU 0.102 0.023 12 0 "[ . 1 . 2]" 1 85 GLU 0.264 0.047 2 0 "[ . 1 . 2]" 1 86 GLY 0.005 0.005 19 0 "[ . 1 . 2]" 1 87 HIS 0.000 0.000 . 0 "[ . 1 . 2]" 1 88 LEU 0.102 0.023 12 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 10 PHE H 1 40 ILE O 2.300 . 2.500 2.236 1.709 2.530 0.030 3 0 "[ . 1 . 2]" 2 2 1 10 PHE N 1 40 ILE O 3.300 2.500 3.500 2.970 2.578 3.418 . 0 0 "[ . 1 . 2]" 2 3 1 8 GLY H 1 42 ILE O 2.300 . 2.500 2.211 1.731 2.507 0.007 16 0 "[ . 1 . 2]" 2 4 1 8 GLY N 1 42 ILE O 3.300 2.500 3.500 3.023 2.654 3.406 . 0 0 "[ . 1 . 2]" 2 5 1 12 LEU H 1 38 ASP O 2.300 . 2.500 2.348 1.800 2.587 0.087 14 0 "[ . 1 . 2]" 2 6 1 12 LEU N 1 38 ASP O 3.300 2.500 3.500 3.025 2.578 3.417 . 0 0 "[ . 1 . 2]" 2 7 1 6 LEU H 1 44 SER O 2.300 . 2.500 2.401 2.033 2.515 0.015 2 0 "[ . 1 . 2]" 2 8 1 6 LEU N 1 44 SER O 3.300 2.500 3.500 3.213 2.583 3.487 . 0 0 "[ . 1 . 2]" 2 9 1 11 THR O 1 15 LEU H 2.300 . 2.500 2.522 2.075 2.701 0.201 5 0 "[ . 1 . 2]" 2 10 1 11 THR O 1 15 LEU N 3.300 2.500 3.500 2.984 2.448 3.555 0.055 7 0 "[ . 1 . 2]" 2 11 1 43 ILE O 1 52 HIS H 2.300 . 2.500 2.357 1.735 2.569 0.069 14 0 "[ . 1 . 2]" 2 12 1 43 ILE O 1 52 HIS N 3.300 2.500 3.500 3.196 2.589 3.467 . 0 0 "[ . 1 . 2]" 2 13 1 10 PHE O 1 40 ILE H 2.300 . 2.500 2.195 1.666 2.526 0.026 11 0 "[ . 1 . 2]" 2 14 1 10 PHE O 1 40 ILE N 3.300 2.500 3.500 3.072 2.616 3.438 . 0 0 "[ . 1 . 2]" 2 15 1 41 ALA H 1 54 LEU O 2.300 . 2.500 2.200 1.697 2.520 0.020 16 0 "[ . 1 . 2]" 2 16 1 41 ALA N 1 54 LEU O 3.300 2.500 3.500 3.076 2.635 3.485 . 0 0 "[ . 1 . 2]" 2 17 1 8 GLY O 1 42 ILE H 2.300 . 2.500 2.406 2.117 2.516 0.016 3 0 "[ . 1 . 2]" 2 18 1 8 GLY O 1 42 ILE N 3.300 2.500 3.500 3.273 2.993 3.457 . 0 0 "[ . 1 . 2]" 2 19 1 43 ILE H 1 52 HIS O 2.300 . 2.500 2.357 1.858 2.514 0.014 19 0 "[ . 1 . 2]" 2 20 1 43 ILE N 1 52 HIS O 3.300 2.500 3.500 3.237 2.783 3.465 . 0 0 "[ . 1 . 2]" 2 21 1 6 LEU O 1 44 SER H 2.300 . 2.500 2.156 1.707 2.500 . 0 0 "[ . 1 . 2]" 2 22 1 6 LEU O 1 44 SER N 3.300 2.500 3.500 3.030 2.605 3.412 . 0 0 "[ . 1 . 2]" 2 23 1 41 ALA O 1 54 LEU H 2.300 . 2.500 2.225 1.746 2.504 0.004 3 0 "[ . 1 . 2]" 2 24 1 41 ALA O 1 54 LEU N 3.300 2.500 3.500 3.067 2.640 3.453 . 0 0 "[ . 1 . 2]" 2 25 1 39 GLU O 1 56 LEU H 2.300 . 2.500 2.372 1.917 2.515 0.015 3 0 "[ . 1 . 2]" 2 26 1 39 GLU O 1 56 LEU N 3.300 2.500 3.500 3.157 2.653 3.435 . 0 0 "[ . 1 . 2]" 2 27 1 16 PRO O 1 19 PHE H 2.300 . 2.500 2.462 1.622 2.635 0.135 1 0 "[ . 1 . 2]" 2 28 1 16 PRO O 1 19 PHE N 3.300 2.500 3.500 3.062 2.600 3.462 . 0 0 "[ . 1 . 2]" 2 29 1 65 ILE O 1 69 LEU H 2.300 . 2.500 2.330 1.861 2.543 0.043 12 0 "[ . 1 . 2]" 2 30 1 65 ILE O 1 69 LEU N 3.300 2.500 3.500 3.254 2.771 3.512 0.012 12 0 "[ . 1 . 2]" 2 31 1 66 ARG O 1 70 GLU H 2.300 . 2.500 2.062 1.682 2.505 0.005 16 0 "[ . 1 . 2]" 2 32 1 66 ARG O 1 70 GLU N 3.300 2.500 3.500 2.996 2.573 3.430 . 0 0 "[ . 1 . 2]" 2 33 1 25 TYR O 1 29 LEU H 2.300 . 2.500 2.443 2.277 2.541 0.041 18 0 "[ . 1 . 2]" 2 34 1 25 TYR O 1 29 LEU N 3.300 2.500 3.500 2.633 2.522 3.046 . 0 0 "[ . 1 . 2]" 2 35 1 63 ASP O 1 67 LYS H 2.300 . 2.500 2.200 1.670 2.559 0.059 4 0 "[ . 1 . 2]" 2 36 1 63 ASP O 1 67 LYS N 3.300 2.500 3.500 3.120 2.621 3.539 0.039 4 0 "[ . 1 . 2]" 2 37 1 67 LYS O 1 71 GLU H 2.300 . 2.500 2.214 1.842 2.515 0.015 4 0 "[ . 1 . 2]" 2 38 1 67 LYS O 1 71 GLU N 3.300 2.500 3.500 3.038 2.739 3.318 . 0 0 "[ . 1 . 2]" 2 39 1 68 GLU O 1 72 ALA H 2.300 . 2.500 2.265 1.843 2.508 0.008 15 0 "[ . 1 . 2]" 2 40 1 68 GLU O 1 72 ALA N 3.300 2.500 3.500 3.129 2.612 3.361 . 0 0 "[ . 1 . 2]" 2 41 1 69 LEU O 1 73 GLY H 2.300 . 2.500 2.241 1.778 2.514 0.014 19 0 "[ . 1 . 2]" 2 42 1 69 LEU O 1 73 GLY N 3.300 2.500 3.500 2.920 2.604 3.326 . 0 0 "[ . 1 . 2]" 2 43 1 70 GLU O 1 74 ALA H 2.300 . 2.500 2.516 2.504 2.543 0.043 3 0 "[ . 1 . 2]" 2 44 1 70 GLU O 1 74 ALA N 3.300 2.500 3.500 3.445 3.363 3.491 . 0 0 "[ . 1 . 2]" 2 45 1 71 GLU O 1 75 LYS H 2.300 . 2.500 2.468 1.994 2.532 0.032 8 0 "[ . 1 . 2]" 2 46 1 71 GLU O 1 75 LYS N 3.300 2.500 3.500 3.056 2.559 3.495 . 0 0 "[ . 1 . 2]" 2 47 1 84 LEU O 1 88 LEU H 2.300 . 2.500 2.291 1.708 2.523 0.023 12 0 "[ . 1 . 2]" 2 48 1 84 LEU O 1 88 LEU N 3.300 2.500 3.500 2.809 2.577 3.228 . 0 0 "[ . 1 . 2]" 2 49 1 83 ILE O 1 87 HIS H 2.300 . 2.500 2.141 1.792 2.465 . 0 0 "[ . 1 . 2]" 2 50 1 83 ILE O 1 87 HIS N 3.300 2.500 3.500 2.924 2.582 3.264 . 0 0 "[ . 1 . 2]" 2 51 1 82 LYS O 1 86 GLY H 2.300 . 2.500 2.228 1.928 2.505 0.005 19 0 "[ . 1 . 2]" 2 52 1 82 LYS O 1 86 GLY N 3.300 2.500 3.500 2.962 2.714 3.239 . 0 0 "[ . 1 . 2]" 2 53 1 81 LEU O 1 85 GLU H 2.300 . 2.500 2.469 1.912 2.547 0.047 2 0 "[ . 1 . 2]" 2 54 1 81 LEU O 1 85 GLU N 3.300 2.500 3.500 3.324 2.837 3.475 . 0 0 "[ . 1 . 2]" 2 stop_ save_
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