NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
506517 | 1x6h | 10246 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x6h 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 25 _Distance_constraint_stats_list.Viol_count 135 _Distance_constraint_stats_list.Viol_total 7.406 _Distance_constraint_stats_list.Viol_max 0.013 _Distance_constraint_stats_list.Viol_rms 0.0017 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0007 _Distance_constraint_stats_list.Viol_average_violations_only 0.0027 _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 18 CYS 0.017 0.004 18 0 "[ . 1 . 2]" 1 21 CYS 0.054 0.009 18 0 "[ . 1 . 2]" 1 34 HIS 0.047 0.008 5 0 "[ . 1 . 2]" 1 39 HIS 0.069 0.008 5 0 "[ . 1 . 2]" 1 50 CYS 0.140 0.010 18 0 "[ . 1 . 2]" 1 53 CYS 0.068 0.008 1 0 "[ . 1 . 2]" 1 66 HIS 0.002 0.001 6 0 "[ . 1 . 2]" 1 70 CYS 0.100 0.013 18 0 "[ . 1 . 2]" 2 1 ZN 0.078 0.009 18 0 "[ . 1 . 2]" 3 1 ZN 0.167 0.013 18 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 18 CYS SG 2 1 ZN ZN . 2.330 2.370 2.344 2.326 2.372 0.004 18 0 "[ . 1 . 2]" 1 2 1 21 CYS SG 2 1 ZN ZN . 2.330 2.370 2.333 2.321 2.354 0.009 18 0 "[ . 1 . 2]" 1 3 1 34 HIS NE2 2 1 ZN ZN . 2.330 2.370 2.345 2.326 2.368 0.004 18 0 "[ . 1 . 2]" 1 4 1 39 HIS NE2 2 1 ZN ZN . 2.330 2.370 2.336 2.322 2.366 0.008 18 0 "[ . 1 . 2]" 1 5 1 18 CYS CB 2 1 ZN ZN . 3.250 3.510 3.318 3.251 3.431 . 0 0 "[ . 1 . 2]" 1 6 1 21 CYS CB 2 1 ZN ZN . 3.250 3.510 3.487 3.387 3.514 0.004 12 0 "[ . 1 . 2]" 1 7 1 18 CYS SG 1 21 CYS SG . 3.200 4.000 3.703 3.463 3.976 . 0 0 "[ . 1 . 2]" 1 8 1 18 CYS SG 1 34 HIS NE2 . 3.200 4.000 3.951 3.836 4.002 0.002 20 0 "[ . 1 . 2]" 1 9 1 18 CYS SG 1 39 HIS NE2 . 3.200 4.000 3.868 3.717 3.999 . 0 0 "[ . 1 . 2]" 1 10 1 21 CYS SG 1 34 HIS NE2 . 3.200 4.000 3.272 3.198 3.398 0.002 20 0 "[ . 1 . 2]" 1 11 1 21 CYS SG 1 39 HIS NE2 . 3.200 4.000 3.985 3.897 4.005 0.005 11 0 "[ . 1 . 2]" 1 12 1 34 HIS NE2 1 39 HIS NE2 . 3.200 4.000 3.991 3.926 4.008 0.008 5 0 "[ . 1 . 2]" 1 13 1 50 CYS SG 3 1 ZN ZN . 2.330 2.370 2.366 2.334 2.376 0.006 19 0 "[ . 1 . 2]" 1 14 1 53 CYS SG 3 1 ZN ZN . 2.330 2.370 2.351 2.324 2.372 0.006 18 0 "[ . 1 . 2]" 1 15 1 66 HIS NE2 3 1 ZN ZN . 2.330 2.370 2.360 2.330 2.371 0.001 6 0 "[ . 1 . 2]" 1 16 1 70 CYS SG 3 1 ZN ZN . 2.330 2.370 2.332 2.317 2.351 0.013 18 0 "[ . 1 . 2]" 1 17 1 50 CYS CB 3 1 ZN ZN . 3.250 3.510 3.248 3.243 3.254 0.007 20 0 "[ . 1 . 2]" 1 18 1 53 CYS CB 3 1 ZN ZN . 3.250 3.510 3.461 3.248 3.516 0.006 18 0 "[ . 1 . 2]" 1 19 1 70 CYS CB 3 1 ZN ZN . 3.250 3.510 3.332 3.247 3.517 0.007 18 0 "[ . 1 . 2]" 1 20 1 50 CYS SG 1 53 CYS SG . 3.200 4.000 3.931 3.676 4.008 0.008 1 0 "[ . 1 . 2]" 1 21 1 50 CYS SG 1 66 HIS NE2 . 3.200 4.000 3.662 3.269 3.909 . 0 0 "[ . 1 . 2]" 1 22 1 50 CYS SG 1 70 CYS SG . 3.200 4.000 3.995 3.913 4.010 0.010 18 0 "[ . 1 . 2]" 1 23 1 53 CYS SG 1 66 HIS NE2 . 3.200 4.000 3.826 3.439 3.957 . 0 0 "[ . 1 . 2]" 1 24 1 53 CYS SG 1 70 CYS SG . 3.200 4.000 3.874 3.726 4.002 0.002 3 0 "[ . 1 . 2]" 1 25 1 66 HIS NE2 1 70 CYS SG . 3.200 4.000 3.657 3.372 3.904 . 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 1393 _Distance_constraint_stats_list.Viol_count 688 _Distance_constraint_stats_list.Viol_total 243.445 _Distance_constraint_stats_list.Viol_max 0.142 _Distance_constraint_stats_list.Viol_rms 0.0042 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0004 _Distance_constraint_stats_list.Viol_average_violations_only 0.0177 _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 8 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 12 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 13 GLU 0.240 0.053 14 0 "[ . 1 . 2]" 1 14 LYS 0.663 0.071 14 0 "[ . 1 . 2]" 1 15 PRO 0.576 0.071 14 0 "[ . 1 . 2]" 1 16 TYR 1.146 0.106 9 0 "[ . 1 . 2]" 1 17 ALA 0.009 0.004 7 0 "[ . 1 . 2]" 1 18 CYS 0.243 0.019 19 0 "[ . 1 . 2]" 1 19 SER 0.034 0.020 10 0 "[ . 1 . 2]" 1 20 HIS 0.034 0.020 10 0 "[ . 1 . 2]" 1 21 CYS 0.041 0.017 6 0 "[ . 1 . 2]" 1 22 ASP 0.001 0.001 17 0 "[ . 1 . 2]" 1 23 LYS 0.802 0.038 11 0 "[ . 1 . 2]" 1 24 THR 0.524 0.047 6 0 "[ . 1 . 2]" 1 25 PHE 1.620 0.073 13 0 "[ . 1 . 2]" 1 26 ARG 0.632 0.101 20 0 "[ . 1 . 2]" 1 27 GLN 0.614 0.109 15 0 "[ . 1 . 2]" 1 28 LYS 0.099 0.026 15 0 "[ . 1 . 2]" 1 29 GLN 0.107 0.062 18 0 "[ . 1 . 2]" 1 30 LEU 1.322 0.109 15 0 "[ . 1 . 2]" 1 31 LEU 0.924 0.106 9 0 "[ . 1 . 2]" 1 32 ASP 0.149 0.020 18 0 "[ . 1 . 2]" 1 33 MET 1.070 0.057 8 0 "[ . 1 . 2]" 1 34 HIS 1.006 0.057 8 0 "[ . 1 . 2]" 1 35 PHE 1.758 0.097 17 0 "[ . 1 . 2]" 1 36 LYS 1.888 0.097 17 0 "[ . 1 . 2]" 1 37 ARG 0.669 0.142 15 0 "[ . 1 . 2]" 1 38 TYR 0.317 0.136 19 0 "[ . 1 . 2]" 1 39 HIS 0.124 0.027 16 0 "[ . 1 . 2]" 1 40 ASP 0.115 0.043 3 0 "[ . 1 . 2]" 1 41 PRO 0.037 0.037 15 0 "[ . 1 . 2]" 1 42 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 1 43 PHE 0.439 0.070 16 0 "[ . 1 . 2]" 1 44 VAL 0.168 0.060 17 0 "[ . 1 . 2]" 1 45 PRO 0.215 0.060 17 0 "[ . 1 . 2]" 1 46 ALA 0.033 0.014 3 0 "[ . 1 . 2]" 1 47 ALA 0.171 0.019 7 0 "[ . 1 . 2]" 1 48 PHE 0.319 0.039 2 0 "[ . 1 . 2]" 1 49 VAL 0.657 0.061 18 0 "[ . 1 . 2]" 1 50 CYS 0.805 0.070 20 0 "[ . 1 . 2]" 1 51 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 52 LYS 0.479 0.055 14 0 "[ . 1 . 2]" 1 53 CYS 0.320 0.070 20 0 "[ . 1 . 2]" 1 54 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 55 LYS 0.174 0.028 18 0 "[ . 1 . 2]" 1 56 THR 0.288 0.061 18 0 "[ . 1 . 2]" 1 57 PHE 0.375 0.063 19 0 "[ . 1 . 2]" 1 58 THR 0.000 0.000 2 0 "[ . 1 . 2]" 1 59 ARG 0.118 0.028 17 0 "[ . 1 . 2]" 1 60 ARG 0.056 0.015 6 0 "[ . 1 . 2]" 1 61 ASN 0.003 0.003 18 0 "[ . 1 . 2]" 1 62 THR 0.013 0.007 18 0 "[ . 1 . 2]" 1 63 MET 0.394 0.063 19 0 "[ . 1 . 2]" 1 64 ALA 0.006 0.006 4 0 "[ . 1 . 2]" 1 65 ARG 0.004 0.003 18 0 "[ . 1 . 2]" 1 66 HIS 0.244 0.041 16 0 "[ . 1 . 2]" 1 67 ALA 0.283 0.041 16 0 "[ . 1 . 2]" 1 68 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 69 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 1 70 CYS 0.105 0.055 14 0 "[ . 1 . 2]" 1 71 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 72 GLY 0.019 0.012 12 0 "[ . 1 . 2]" 1 73 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 74 ASP 0.014 0.009 6 0 "[ . 1 . 2]" 1 75 GLY 0.014 0.009 6 0 "[ . 1 . 2]" 1 76 VAL 0.101 0.053 9 0 "[ . 1 . 2]" 1 77 GLU 0.096 0.053 9 0 "[ . 1 . 2]" 1 78 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 79 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 82 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 83 PRO 0.000 0.000 . 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 18 CYS H 1 21 CYS H . . 5.500 5.464 5.148 5.517 0.017 6 0 "[ . 1 . 2]" 2 2 1 18 CYS H 1 25 PHE QD . . 4.760 3.586 3.385 3.980 . 0 0 "[ . 1 . 2]" 2 3 1 18 CYS H 1 25 PHE QE . . 4.420 2.977 2.725 3.441 . 0 0 "[ . 1 . 2]" 2 4 1 18 CYS H 1 24 THR HA . . 3.790 3.017 2.923 3.138 . 0 0 "[ . 1 . 2]" 2 5 1 18 CYS H 1 18 CYS HB3 . . 3.330 2.777 2.635 2.901 . 0 0 "[ . 1 . 2]" 2 6 1 18 CYS H 1 18 CYS HB2 . . 3.370 2.311 2.229 2.451 . 0 0 "[ . 1 . 2]" 2 7 1 18 CYS H 1 24 THR MG . . 3.740 3.629 3.298 3.750 0.010 6 0 "[ . 1 . 2]" 2 8 1 74 ASP HB2 1 75 GLY H . . 4.850 3.783 2.366 4.568 . 0 0 "[ . 1 . 2]" 2 9 1 74 ASP HB3 1 75 GLY H . . 4.850 3.772 2.261 4.665 . 0 0 "[ . 1 . 2]" 2 10 1 77 GLU H 1 77 GLU QG . . 4.700 2.889 1.905 4.403 . 0 0 "[ . 1 . 2]" 2 11 1 76 VAL HB 1 77 GLU H . . 4.840 3.679 2.039 4.620 . 0 0 "[ . 1 . 2]" 2 12 1 76 VAL MG1 1 77 GLU H . . 4.810 3.563 2.152 4.029 . 0 0 "[ . 1 . 2]" 2 13 1 55 LYS H 1 57 PHE QE . . 4.670 3.650 3.410 3.980 . 0 0 "[ . 1 . 2]" 2 14 1 50 CYS HB3 1 55 LYS H . . 3.590 2.031 1.893 2.245 . 0 0 "[ . 1 . 2]" 2 15 1 55 LYS H 1 55 LYS HB2 . . 3.280 2.244 2.167 2.426 . 0 0 "[ . 1 . 2]" 2 16 1 55 LYS H 1 56 THR H . . 4.710 4.563 4.498 4.603 . 0 0 "[ . 1 . 2]" 2 17 1 53 CYS HA 1 55 LYS H . . 5.500 5.170 4.957 5.359 . 0 0 "[ . 1 . 2]" 2 18 1 50 CYS HB2 1 55 LYS H . . 3.980 2.774 2.435 3.200 . 0 0 "[ . 1 . 2]" 2 19 1 53 CYS HB3 1 55 LYS H . . 5.050 4.854 4.654 5.049 . 0 0 "[ . 1 . 2]" 2 20 1 55 LYS H 1 55 LYS HG2 . . 4.670 4.298 4.017 4.629 . 0 0 "[ . 1 . 2]" 2 21 1 55 LYS H 1 55 LYS HB3 . . 3.570 3.367 2.849 3.552 . 0 0 "[ . 1 . 2]" 2 22 1 45 PRO HA 1 46 ALA H . . 3.100 2.179 2.152 2.286 . 0 0 "[ . 1 . 2]" 2 23 1 45 PRO HB3 1 46 ALA H . . 4.260 3.918 3.625 4.205 . 0 0 "[ . 1 . 2]" 2 24 1 46 ALA H 1 46 ALA MB . . 3.370 2.075 2.053 2.137 . 0 0 "[ . 1 . 2]" 2 25 1 43 PHE QE 1 46 ALA H . . 5.200 4.888 4.648 5.205 0.005 16 0 "[ . 1 . 2]" 2 26 1 45 PRO QD 1 46 ALA H . . 5.200 4.980 4.875 5.006 . 0 0 "[ . 1 . 2]" 2 27 1 46 ALA H 1 47 ALA MB . . 5.350 5.051 4.959 5.192 . 0 0 "[ . 1 . 2]" 2 28 1 44 VAL MG1 1 46 ALA H . . 5.500 5.050 4.380 5.496 . 0 0 "[ . 1 . 2]" 2 29 1 44 VAL MG2 1 46 ALA H . . 5.500 4.741 4.258 5.094 . 0 0 "[ . 1 . 2]" 2 30 1 68 ASP HA 1 70 CYS H . . 4.920 3.919 3.806 4.071 . 0 0 "[ . 1 . 2]" 2 31 1 70 CYS H 1 70 CYS HB3 . . 3.250 2.492 2.376 2.580 . 0 0 "[ . 1 . 2]" 2 32 1 70 CYS H 1 70 CYS HB2 . . 3.280 2.652 2.550 2.769 . 0 0 "[ . 1 . 2]" 2 33 1 52 LYS H 1 53 CYS H . . 3.160 2.430 2.275 2.579 . 0 0 "[ . 1 . 2]" 2 34 1 52 LYS H 1 53 CYS HA . . 5.340 5.030 4.938 5.174 . 0 0 "[ . 1 . 2]" 2 35 1 50 CYS HA 1 52 LYS H . . 4.460 3.860 3.315 4.171 . 0 0 "[ . 1 . 2]" 2 36 1 51 SER QB 1 52 LYS H . . 4.300 3.338 2.945 3.780 . 0 0 "[ . 1 . 2]" 2 37 1 52 LYS H 1 72 GLY HA2 . . 5.500 5.351 5.087 5.497 . 0 0 "[ . 1 . 2]" 2 38 1 50 CYS HB3 1 52 LYS H . . 4.760 3.376 3.170 3.874 . 0 0 "[ . 1 . 2]" 2 39 1 50 CYS HB2 1 52 LYS H . . 4.910 4.455 4.302 4.626 . 0 0 "[ . 1 . 2]" 2 40 1 52 LYS H 1 53 CYS HB3 . . 5.500 5.262 5.118 5.394 . 0 0 "[ . 1 . 2]" 2 41 1 52 LYS H 1 52 LYS HB2 . . 3.620 2.388 2.208 2.539 . 0 0 "[ . 1 . 2]" 2 42 1 52 LYS H 1 52 LYS HB3 . . 3.620 3.602 3.495 3.661 0.041 6 0 "[ . 1 . 2]" 2 43 1 52 LYS H 1 52 LYS HG2 . . 4.100 3.689 3.287 4.118 0.018 16 0 "[ . 1 . 2]" 2 44 1 52 LYS H 1 52 LYS HG3 . . 4.100 2.737 2.454 3.129 . 0 0 "[ . 1 . 2]" 2 45 1 48 PHE QD 1 49 VAL H . . 4.770 4.554 4.055 4.731 . 0 0 "[ . 1 . 2]" 2 46 1 48 PHE HB2 1 49 VAL H . . 4.630 4.362 4.066 4.466 . 0 0 "[ . 1 . 2]" 2 47 1 49 VAL H 1 63 MET QG . . 4.790 4.536 4.261 4.795 0.005 19 0 "[ . 1 . 2]" 2 48 1 47 ALA MB 1 49 VAL H . . 5.500 4.756 4.470 5.441 . 0 0 "[ . 1 . 2]" 2 49 1 48 PHE HB3 1 49 VAL H . . 4.020 3.625 2.991 3.879 . 0 0 "[ . 1 . 2]" 2 50 1 49 VAL H 1 49 VAL HB . . 3.390 2.480 2.321 3.013 . 0 0 "[ . 1 . 2]" 2 51 1 31 LEU H 1 32 ASP HA . . 5.300 5.185 5.118 5.278 . 0 0 "[ . 1 . 2]" 2 52 1 31 LEU H 1 32 ASP H . . 3.410 2.589 2.524 2.687 . 0 0 "[ . 1 . 2]" 2 53 1 31 LEU H 1 33 MET H . . 4.740 4.427 4.314 4.596 . 0 0 "[ . 1 . 2]" 2 54 1 31 LEU H 1 34 HIS H . . 5.270 4.727 4.638 4.808 . 0 0 "[ . 1 . 2]" 2 55 1 28 LYS HA 1 31 LEU H . . 3.890 3.370 3.168 3.513 . 0 0 "[ . 1 . 2]" 2 56 1 30 LEU HB2 1 31 LEU H . . 3.550 2.504 2.294 2.648 . 0 0 "[ . 1 . 2]" 2 57 1 30 LEU HB3 1 31 LEU H . . 3.870 3.206 2.855 3.574 . 0 0 "[ . 1 . 2]" 2 58 1 31 LEU H 1 31 LEU HB2 . . 3.520 2.760 2.688 2.844 . 0 0 "[ . 1 . 2]" 2 59 1 31 LEU H 1 31 LEU MD2 . . 4.270 4.192 4.117 4.238 . 0 0 "[ . 1 . 2]" 2 60 1 48 PHE HB2 1 63 MET H . . 5.420 4.874 4.568 5.235 . 0 0 "[ . 1 . 2]" 2 61 1 57 PHE HB2 1 63 MET H . . 4.790 4.188 3.941 4.522 . 0 0 "[ . 1 . 2]" 2 62 1 62 THR MG 1 63 MET H . . 4.420 3.392 3.022 3.677 . 0 0 "[ . 1 . 2]" 2 63 1 57 PHE HB3 1 63 MET H . . 4.770 3.626 3.178 4.076 . 0 0 "[ . 1 . 2]" 2 64 1 48 PHE HB3 1 63 MET H . . 5.500 5.297 4.967 5.504 0.004 9 0 "[ . 1 . 2]" 2 65 1 60 ARG HA 1 63 MET H . . 4.570 3.561 3.107 4.099 . 0 0 "[ . 1 . 2]" 2 66 1 63 MET H 1 63 MET QG . . 4.210 3.946 3.806 4.028 . 0 0 "[ . 1 . 2]" 2 67 1 63 MET H 1 63 MET HB3 . . 3.780 2.677 2.460 2.902 . 0 0 "[ . 1 . 2]" 2 68 1 63 MET H 1 63 MET HB2 . . 3.810 2.396 2.204 2.591 . 0 0 "[ . 1 . 2]" 2 69 1 18 CYS HB3 1 23 LYS H . . 3.910 2.616 2.392 2.885 . 0 0 "[ . 1 . 2]" 2 70 1 23 LYS H 1 25 PHE QE . . 5.030 4.538 4.417 4.643 . 0 0 "[ . 1 . 2]" 2 71 1 21 CYS HA 1 23 LYS H . . 4.900 4.498 4.191 4.686 . 0 0 "[ . 1 . 2]" 2 72 1 23 LYS H 1 23 LYS QG . . 3.310 2.940 2.663 3.080 . 0 0 "[ . 1 . 2]" 2 73 1 23 LYS H 1 23 LYS HB3 . . 3.850 3.642 3.597 3.675 . 0 0 "[ . 1 . 2]" 2 74 1 67 ALA H 1 69 ASN H . . 5.370 4.601 4.419 4.728 . 0 0 "[ . 1 . 2]" 2 75 1 67 ALA H 1 70 CYS H . . 5.500 4.658 4.558 4.796 . 0 0 "[ . 1 . 2]" 2 76 1 63 MET QG 1 67 ALA H . . 5.300 4.359 3.981 4.683 . 0 0 "[ . 1 . 2]" 2 77 1 67 ALA H 1 70 CYS HB2 . . 5.090 4.332 4.009 4.621 . 0 0 "[ . 1 . 2]" 2 78 1 23 LYS H 1 25 PHE HZ . . 5.500 5.490 5.375 5.536 0.036 15 0 "[ . 1 . 2]" 2 79 1 18 CYS HB2 1 23 LYS H . . 4.400 3.750 3.528 3.998 . 0 0 "[ . 1 . 2]" 2 80 1 66 HIS HB2 1 67 ALA H . . 4.150 4.018 3.929 4.088 . 0 0 "[ . 1 . 2]" 2 81 1 66 HIS H 1 67 ALA H . . 3.820 2.820 2.703 2.919 . 0 0 "[ . 1 . 2]" 2 82 1 66 HIS HD2 1 67 ALA H . . 4.550 3.371 3.058 3.608 . 0 0 "[ . 1 . 2]" 2 83 1 66 HIS HB3 1 67 ALA H . . 3.980 2.701 2.568 2.808 . 0 0 "[ . 1 . 2]" 2 84 1 63 MET HA 1 67 ALA H . . 4.890 4.150 3.954 4.508 . 0 0 "[ . 1 . 2]" 2 85 1 60 ARG HA 1 64 ALA H . . 4.420 3.827 3.554 4.196 . 0 0 "[ . 1 . 2]" 2 86 1 64 ALA H 1 64 ALA MB . . 3.000 2.151 2.034 2.256 . 0 0 "[ . 1 . 2]" 2 87 1 60 ARG QD 1 64 ALA H . . 5.500 4.286 2.863 5.498 . 0 0 "[ . 1 . 2]" 2 88 1 64 ALA H 1 66 HIS HB3 . . 5.500 4.967 4.837 5.100 . 0 0 "[ . 1 . 2]" 2 89 1 19 SER H 1 31 LEU MD1 . . 4.590 3.741 3.592 3.970 . 0 0 "[ . 1 . 2]" 2 90 1 63 MET H 1 64 ALA H . . 3.710 2.823 2.667 3.116 . 0 0 "[ . 1 . 2]" 2 91 1 61 ASN HA 1 64 ALA H . . 4.210 3.792 3.556 4.159 . 0 0 "[ . 1 . 2]" 2 92 1 63 MET QG 1 64 ALA H . . 4.240 4.006 3.854 4.141 . 0 0 "[ . 1 . 2]" 2 93 1 63 MET HB3 1 64 ALA H . . 3.760 2.274 2.012 2.461 . 0 0 "[ . 1 . 2]" 2 94 1 64 ALA H 1 65 ARG QG . . 5.330 4.697 4.522 4.917 . 0 0 "[ . 1 . 2]" 2 95 1 63 MET HB2 1 64 ALA H . . 3.950 3.606 3.441 3.758 . 0 0 "[ . 1 . 2]" 2 96 1 13 GLU HA 1 14 LYS H . . 3.550 2.341 2.140 2.775 . 0 0 "[ . 1 . 2]" 2 97 1 14 LYS H 1 15 PRO HD3 . . 5.240 4.216 3.872 4.682 . 0 0 "[ . 1 . 2]" 2 98 1 13 GLU HB2 1 14 LYS H . . 5.230 3.893 2.485 4.574 . 0 0 "[ . 1 . 2]" 2 99 1 13 GLU HB3 1 14 LYS H . . 5.230 3.698 1.994 4.544 . 0 0 "[ . 1 . 2]" 2 100 1 14 LYS H 1 14 LYS HG3 . . 4.740 2.914 2.181 4.002 . 0 0 "[ . 1 . 2]" 2 101 1 14 LYS H 1 14 LYS HG2 . . 4.940 4.162 3.668 4.820 . 0 0 "[ . 1 . 2]" 2 102 1 33 MET H 1 35 PHE H . . 4.680 4.320 4.127 4.466 . 0 0 "[ . 1 . 2]" 2 103 1 35 PHE H 1 37 ARG H . . 3.950 3.700 3.567 3.784 . 0 0 "[ . 1 . 2]" 2 104 1 35 PHE H 1 39 HIS HD2 . . 4.790 4.507 4.434 4.637 . 0 0 "[ . 1 . 2]" 2 105 1 32 ASP HA 1 35 PHE H . . 4.310 3.901 3.747 4.050 . 0 0 "[ . 1 . 2]" 2 106 1 33 MET HA 1 35 PHE H . . 4.740 4.337 4.019 4.535 . 0 0 "[ . 1 . 2]" 2 107 1 35 PHE H 1 35 PHE HB2 . . 3.200 2.492 2.435 2.572 . 0 0 "[ . 1 . 2]" 2 108 1 35 PHE H 1 35 PHE HB3 . . 3.310 2.576 2.506 2.634 . 0 0 "[ . 1 . 2]" 2 109 1 34 HIS HB2 1 35 PHE H . . 4.120 4.049 3.948 4.140 0.020 16 0 "[ . 1 . 2]" 2 110 1 33 MET QB 1 35 PHE H . . 5.340 5.228 4.909 5.356 0.016 12 0 "[ . 1 . 2]" 2 111 1 31 LEU HG 1 35 PHE H . . 5.220 5.061 4.923 5.224 0.004 16 0 "[ . 1 . 2]" 2 112 1 31 LEU MD1 1 35 PHE H . . 4.210 3.793 3.591 4.037 . 0 0 "[ . 1 . 2]" 2 113 1 25 PHE QE 1 35 PHE H . . 5.500 5.428 5.278 5.517 0.017 13 0 "[ . 1 . 2]" 2 114 1 47 ALA H 1 48 PHE H . . 4.210 4.139 4.086 4.209 . 0 0 "[ . 1 . 2]" 2 115 1 46 ALA H 1 47 ALA H . . 4.570 4.366 4.352 4.393 . 0 0 "[ . 1 . 2]" 2 116 1 46 ALA HA 1 47 ALA H . . 3.000 2.155 2.147 2.160 . 0 0 "[ . 1 . 2]" 2 117 1 45 PRO HB2 1 47 ALA H . . 5.140 4.945 4.837 5.027 . 0 0 "[ . 1 . 2]" 2 118 1 46 ALA MB 1 47 ALA H . . 3.600 3.397 3.366 3.416 . 0 0 "[ . 1 . 2]" 2 119 1 47 ALA H 1 47 ALA MB . . 3.270 2.430 2.351 2.502 . 0 0 "[ . 1 . 2]" 2 120 1 35 PHE H 1 36 LYS HB2 . . 5.180 4.720 4.625 4.849 . 0 0 "[ . 1 . 2]" 2 121 1 47 ALA H 1 48 PHE QD . . 5.160 3.708 3.425 3.901 . 0 0 "[ . 1 . 2]" 2 122 1 43 PHE H 1 44 VAL MG1 . . 5.450 5.282 5.005 5.454 0.004 2 0 "[ . 1 . 2]" 2 123 1 37 ARG HB2 1 43 PHE H . . 5.500 5.432 5.243 5.565 0.065 17 0 "[ . 1 . 2]" 2 124 1 42 ASN H 1 43 PHE H . . 3.350 2.831 2.742 2.968 . 0 0 "[ . 1 . 2]" 2 125 1 37 ARG H 1 43 PHE H . . 5.460 5.283 5.120 5.512 0.052 16 0 "[ . 1 . 2]" 2 126 1 43 PHE H 1 43 PHE QD . . 4.190 4.177 4.159 4.193 0.003 17 0 "[ . 1 . 2]" 2 127 1 41 PRO HA 1 43 PHE H . . 4.910 4.756 4.566 4.947 0.037 15 0 "[ . 1 . 2]" 2 128 1 43 PHE H 1 43 PHE HB2 . . 3.360 2.427 2.371 2.496 . 0 0 "[ . 1 . 2]" 2 129 1 43 PHE H 1 43 PHE HB3 . . 3.360 2.650 2.595 2.698 . 0 0 "[ . 1 . 2]" 2 130 1 42 ASN QB 1 43 PHE H . . 4.110 2.189 2.023 2.392 . 0 0 "[ . 1 . 2]" 2 131 1 36 LYS HB2 1 43 PHE H . . 5.400 4.987 4.753 5.376 . 0 0 "[ . 1 . 2]" 2 132 1 25 PHE QD 1 32 ASP H . . 5.500 5.480 5.313 5.519 0.019 17 0 "[ . 1 . 2]" 2 133 1 31 LEU HB3 1 32 ASP H . . 3.880 3.101 2.848 3.256 . 0 0 "[ . 1 . 2]" 2 134 1 30 LEU HA 1 32 ASP H . . 4.920 3.999 3.868 4.277 . 0 0 "[ . 1 . 2]" 2 135 1 31 LEU HG 1 32 ASP H . . 4.440 3.826 3.555 4.010 . 0 0 "[ . 1 . 2]" 2 136 1 31 LEU MD1 1 32 ASP H . . 4.620 4.372 4.246 4.458 . 0 0 "[ . 1 . 2]" 2 137 1 31 LEU MD2 1 32 ASP H . . 4.940 4.671 4.395 4.865 . 0 0 "[ . 1 . 2]" 2 138 1 34 HIS H 1 35 PHE H . . 3.550 2.741 2.609 2.892 . 0 0 "[ . 1 . 2]" 2 139 1 32 ASP H 1 34 HIS H . . 4.710 3.694 3.558 3.887 . 0 0 "[ . 1 . 2]" 2 140 1 25 PHE QE 1 34 HIS H . . 5.390 4.787 4.480 4.973 . 0 0 "[ . 1 . 2]" 2 141 1 34 HIS H 1 34 HIS HB3 . . 3.200 2.194 2.177 2.248 . 0 0 "[ . 1 . 2]" 2 142 1 31 LEU HA 1 34 HIS H . . 3.750 3.543 3.460 3.734 . 0 0 "[ . 1 . 2]" 2 143 1 34 HIS H 1 34 HIS HB2 . . 3.300 2.937 2.879 2.982 . 0 0 "[ . 1 . 2]" 2 144 1 33 MET HG3 1 34 HIS H . . 4.820 2.313 2.113 2.830 . 0 0 "[ . 1 . 2]" 2 145 1 33 MET QB 1 34 HIS H . . 3.680 3.527 3.344 3.626 . 0 0 "[ . 1 . 2]" 2 146 1 30 LEU HB3 1 34 HIS H . . 5.270 5.008 4.770 5.217 . 0 0 "[ . 1 . 2]" 2 147 1 31 LEU MD1 1 34 HIS H . . 4.820 4.602 4.339 4.823 0.003 16 0 "[ . 1 . 2]" 2 148 1 73 PRO QD 1 74 ASP H . . 5.180 4.464 2.602 5.007 . 0 0 "[ . 1 . 2]" 2 149 1 33 MET HG2 1 34 HIS H . . 4.820 3.154 2.173 4.033 . 0 0 "[ . 1 . 2]" 2 150 1 48 PHE HB3 1 57 PHE H . . 5.030 4.950 4.678 5.036 0.006 17 0 "[ . 1 . 2]" 2 151 1 48 PHE H 1 57 PHE H . . 3.980 3.273 3.051 3.430 . 0 0 "[ . 1 . 2]" 2 152 1 57 PHE H 1 57 PHE QD . . 3.510 2.841 2.601 3.201 . 0 0 "[ . 1 . 2]" 2 153 1 56 THR HA 1 57 PHE H . . 3.030 2.194 2.149 2.229 . 0 0 "[ . 1 . 2]" 2 154 1 57 PHE H 1 57 PHE HB3 . . 4.060 3.794 3.702 3.895 . 0 0 "[ . 1 . 2]" 2 155 1 48 PHE HB2 1 57 PHE H . . 4.400 3.964 3.600 4.190 . 0 0 "[ . 1 . 2]" 2 156 1 57 PHE H 1 57 PHE HB2 . . 3.780 2.669 2.510 2.848 . 0 0 "[ . 1 . 2]" 2 157 1 55 LYS HB3 1 57 PHE H . . 5.500 5.469 5.223 5.515 0.015 18 0 "[ . 1 . 2]" 2 158 1 56 THR MG 1 57 PHE H . . 3.980 3.659 3.503 3.803 . 0 0 "[ . 1 . 2]" 2 159 1 47 ALA HA 1 57 PHE H . . 5.220 4.759 4.363 5.004 . 0 0 "[ . 1 . 2]" 2 160 1 57 PHE H 1 63 MET QG . . 5.350 4.111 3.789 4.516 . 0 0 "[ . 1 . 2]" 2 161 1 19 SER HA 1 21 CYS H . . 4.730 4.379 4.112 4.592 . 0 0 "[ . 1 . 2]" 2 162 1 20 HIS H 1 21 CYS H . . 3.010 2.715 2.147 2.845 . 0 0 "[ . 1 . 2]" 2 163 1 19 SER H 1 21 CYS H . . 4.040 3.876 3.665 4.013 . 0 0 "[ . 1 . 2]" 2 164 1 18 CYS HB3 1 21 CYS H . . 3.510 2.836 2.528 2.997 . 0 0 "[ . 1 . 2]" 2 165 1 20 HIS HB2 1 21 CYS H . . 4.010 2.727 2.567 2.926 . 0 0 "[ . 1 . 2]" 2 166 1 20 HIS HB3 1 21 CYS H . . 4.010 3.438 3.150 3.755 . 0 0 "[ . 1 . 2]" 2 167 1 76 VAL H 1 77 GLU H . . 4.550 4.094 2.196 4.603 0.053 9 0 "[ . 1 . 2]" 2 168 1 76 VAL H 1 76 VAL HB . . 3.690 3.214 2.512 3.693 0.003 15 0 "[ . 1 . 2]" 2 169 1 76 VAL H 1 76 VAL MG2 . . 4.480 3.280 2.091 4.065 . 0 0 "[ . 1 . 2]" 2 170 1 36 LYS HA 1 40 ASP H . . 4.600 3.791 3.536 4.077 . 0 0 "[ . 1 . 2]" 2 171 1 40 ASP H 1 40 ASP HB2 . . 3.850 2.902 2.756 3.204 . 0 0 "[ . 1 . 2]" 2 172 1 39 HIS HB2 1 40 ASP H . . 4.600 3.229 3.015 3.364 . 0 0 "[ . 1 . 2]" 2 173 1 39 HIS HB3 1 40 ASP H . . 4.600 4.108 3.982 4.192 . 0 0 "[ . 1 . 2]" 2 174 1 16 TYR H 1 25 PHE H . . 3.920 3.620 3.362 3.777 . 0 0 "[ . 1 . 2]" 2 175 1 16 TYR H 1 16 TYR QD . . 3.400 1.991 1.893 2.189 . 0 0 "[ . 1 . 2]" 2 176 1 16 TYR H 1 16 TYR QE . . 4.420 4.033 3.866 4.294 . 0 0 "[ . 1 . 2]" 2 177 1 15 PRO HA 1 16 TYR H . . 3.530 3.517 3.443 3.560 0.030 8 0 "[ . 1 . 2]" 2 178 1 15 PRO HD2 1 16 TYR H . . 4.280 2.662 2.646 2.733 . 0 0 "[ . 1 . 2]" 2 179 1 16 TYR H 1 16 TYR HB3 . . 3.690 3.623 3.600 3.660 . 0 0 "[ . 1 . 2]" 2 180 1 16 TYR H 1 16 TYR HB2 . . 3.460 2.552 2.476 2.608 . 0 0 "[ . 1 . 2]" 2 181 1 15 PRO HB2 1 16 TYR H . . 3.990 3.350 3.066 3.648 . 0 0 "[ . 1 . 2]" 2 182 1 15 PRO HG3 1 16 TYR H . . 4.650 3.903 3.658 4.205 . 0 0 "[ . 1 . 2]" 2 183 1 16 TYR H 1 24 THR MG . . 5.400 5.193 4.976 5.349 . 0 0 "[ . 1 . 2]" 2 184 1 16 TYR H 1 24 THR HA . . 5.400 5.294 5.019 5.388 . 0 0 "[ . 1 . 2]" 2 185 1 15 PRO HG2 1 16 TYR H . . 4.650 2.399 2.070 2.804 . 0 0 "[ . 1 . 2]" 2 186 1 14 LYS HG2 1 16 TYR H . . 5.140 5.062 4.904 5.166 0.026 14 0 "[ . 1 . 2]" 2 187 1 48 PHE H 1 48 PHE QE . . 5.010 4.811 4.607 5.008 . 0 0 "[ . 1 . 2]" 2 188 1 48 PHE H 1 48 PHE QD . . 3.790 2.690 2.326 3.040 . 0 0 "[ . 1 . 2]" 2 189 1 48 PHE H 1 56 THR HA . . 4.900 4.856 4.562 4.915 0.015 19 0 "[ . 1 . 2]" 2 190 1 48 PHE H 1 58 THR HA . . 4.790 4.043 3.372 4.455 . 0 0 "[ . 1 . 2]" 2 191 1 47 ALA HA 1 48 PHE H . . 3.140 2.163 2.157 2.169 . 0 0 "[ . 1 . 2]" 2 192 1 48 PHE H 1 56 THR HB . . 5.320 5.150 4.817 5.283 . 0 0 "[ . 1 . 2]" 2 193 1 48 PHE H 1 57 PHE HB2 . . 4.720 4.031 3.463 4.215 . 0 0 "[ . 1 . 2]" 2 194 1 46 ALA MB 1 48 PHE H . . 4.500 4.445 4.349 4.507 0.007 17 0 "[ . 1 . 2]" 2 195 1 47 ALA MB 1 48 PHE H . . 3.490 3.412 3.384 3.449 . 0 0 "[ . 1 . 2]" 2 196 1 48 PHE H 1 57 PHE HB3 . . 5.460 5.088 4.519 5.303 . 0 0 "[ . 1 . 2]" 2 197 1 48 PHE H 1 48 PHE HB3 . . 3.930 3.792 3.734 3.830 . 0 0 "[ . 1 . 2]" 2 198 1 48 PHE H 1 48 PHE HB2 . . 3.660 2.664 2.567 2.726 . 0 0 "[ . 1 . 2]" 2 199 1 64 ALA H 1 66 HIS H . . 5.120 4.332 4.249 4.429 . 0 0 "[ . 1 . 2]" 2 200 1 64 ALA HA 1 66 HIS H . . 4.780 4.618 4.482 4.754 . 0 0 "[ . 1 . 2]" 2 201 1 66 HIS H 1 66 HIS HB3 . . 3.450 2.278 2.223 2.340 . 0 0 "[ . 1 . 2]" 2 202 1 66 HIS H 1 66 HIS HB2 . . 3.480 2.822 2.755 2.893 . 0 0 "[ . 1 . 2]" 2 203 1 63 MET HA 1 66 HIS H . . 4.340 3.400 3.270 3.623 . 0 0 "[ . 1 . 2]" 2 204 1 65 ARG QB 1 66 HIS H . . 3.780 2.488 2.371 2.567 . 0 0 "[ . 1 . 2]" 2 205 1 66 HIS H 1 67 ALA MB . . 4.650 4.361 4.234 4.479 . 0 0 "[ . 1 . 2]" 2 206 1 59 ARG H 1 62 THR MG . . 5.310 4.402 4.005 5.173 . 0 0 "[ . 1 . 2]" 2 207 1 57 PHE HB2 1 59 ARG H . . 4.250 3.982 3.330 4.262 0.012 20 0 "[ . 1 . 2]" 2 208 1 59 ARG H 1 59 ARG HG3 . . 4.720 3.586 2.685 4.748 0.028 17 0 "[ . 1 . 2]" 2 209 1 65 ARG QG 1 66 HIS H . . 4.860 4.070 3.927 4.177 . 0 0 "[ . 1 . 2]" 2 210 1 58 THR HB 1 59 ARG H . . 4.780 3.630 2.563 4.596 . 0 0 "[ . 1 . 2]" 2 211 1 57 PHE HB3 1 59 ARG H . . 3.880 2.816 2.560 3.058 . 0 0 "[ . 1 . 2]" 2 212 1 32 ASP H 1 33 MET H . . 3.550 2.519 2.390 2.647 . 0 0 "[ . 1 . 2]" 2 213 1 33 MET H 1 34 HIS HB3 . . 4.800 4.367 4.260 4.450 . 0 0 "[ . 1 . 2]" 2 214 1 31 LEU HA 1 33 MET H . . 4.960 4.625 4.467 4.773 . 0 0 "[ . 1 . 2]" 2 215 1 33 MET H 1 34 HIS HB2 . . 5.460 5.253 5.100 5.320 . 0 0 "[ . 1 . 2]" 2 216 1 33 MET H 1 33 MET HG3 . . 4.020 2.818 1.963 3.408 . 0 0 "[ . 1 . 2]" 2 217 1 33 MET H 1 33 MET QB . . 3.040 2.546 2.457 2.608 . 0 0 "[ . 1 . 2]" 2 218 1 30 LEU HB3 1 33 MET H . . 5.500 5.475 5.412 5.512 0.012 2 0 "[ . 1 . 2]" 2 219 1 29 GLN QG 1 33 MET H . . 5.380 4.106 3.847 4.511 . 0 0 "[ . 1 . 2]" 2 220 1 35 PHE H 1 36 LYS H . . 3.510 2.805 2.733 2.891 . 0 0 "[ . 1 . 2]" 2 221 1 32 ASP HA 1 36 LYS H . . 4.860 4.626 4.505 4.761 . 0 0 "[ . 1 . 2]" 2 222 1 35 PHE HB2 1 36 LYS H . . 3.740 3.662 3.596 3.737 . 0 0 "[ . 1 . 2]" 2 223 1 35 PHE HB3 1 36 LYS H . . 3.590 2.248 2.155 2.390 . 0 0 "[ . 1 . 2]" 2 224 1 33 MET QB 1 36 LYS H . . 5.350 5.120 4.970 5.209 . 0 0 "[ . 1 . 2]" 2 225 1 36 LYS H 1 36 LYS HB2 . . 3.260 2.248 2.164 2.374 . 0 0 "[ . 1 . 2]" 2 226 1 36 LYS H 1 36 LYS HB3 . . 3.610 3.525 3.469 3.575 . 0 0 "[ . 1 . 2]" 2 227 1 36 LYS H 1 36 LYS HG2 . . 4.230 3.173 2.688 4.254 0.024 17 0 "[ . 1 . 2]" 2 228 1 36 LYS H 1 36 LYS HG3 . . 4.230 3.321 2.567 3.931 . 0 0 "[ . 1 . 2]" 2 229 1 36 LYS H 1 36 LYS QE . . 5.500 4.789 2.736 5.465 . 0 0 "[ . 1 . 2]" 2 230 1 65 ARG H 1 67 ALA H . . 4.920 4.274 4.167 4.418 . 0 0 "[ . 1 . 2]" 2 231 1 64 ALA H 1 65 ARG H . . 3.700 2.977 2.801 3.084 . 0 0 "[ . 1 . 2]" 2 232 1 61 ASN HA 1 65 ARG H . . 4.600 4.131 3.707 4.542 . 0 0 "[ . 1 . 2]" 2 233 1 62 THR HA 1 65 ARG H . . 4.410 3.895 3.554 4.119 . 0 0 "[ . 1 . 2]" 2 234 1 65 ARG H 1 65 ARG QD . . 5.110 3.834 3.218 4.245 . 0 0 "[ . 1 . 2]" 2 235 1 65 ARG H 1 66 HIS HB3 . . 4.940 4.602 4.512 4.687 . 0 0 "[ . 1 . 2]" 2 236 1 65 ARG H 1 65 ARG QB . . 3.090 2.413 2.296 2.506 . 0 0 "[ . 1 . 2]" 2 237 1 65 ARG H 1 65 ARG QG . . 3.520 2.290 2.160 2.483 . 0 0 "[ . 1 . 2]" 2 238 1 64 ALA MB 1 65 ARG H . . 3.410 2.448 2.257 2.627 . 0 0 "[ . 1 . 2]" 2 239 1 63 MET HB3 1 65 ARG H . . 5.270 4.985 4.729 5.179 . 0 0 "[ . 1 . 2]" 2 240 1 65 ARG H 1 67 ALA MB . . 5.130 4.797 4.705 4.974 . 0 0 "[ . 1 . 2]" 2 241 1 65 ARG H 1 66 HIS HB2 . . 5.500 5.432 5.335 5.501 0.001 1 0 "[ . 1 . 2]" 2 242 1 65 ARG HA 1 68 ASP H . . 4.650 3.585 3.426 3.737 . 0 0 "[ . 1 . 2]" 2 243 1 67 ALA H 1 68 ASP H . . 4.100 2.880 2.724 3.029 . 0 0 "[ . 1 . 2]" 2 244 1 68 ASP H 1 68 ASP QB . . 3.350 2.309 2.135 2.611 . 0 0 "[ . 1 . 2]" 2 245 1 30 LEU H 1 32 ASP H . . 4.530 3.831 3.709 4.029 . 0 0 "[ . 1 . 2]" 2 246 1 25 PHE HB3 1 30 LEU H . . 4.820 4.374 4.232 4.603 . 0 0 "[ . 1 . 2]" 2 247 1 28 LYS HA 1 30 LEU H . . 4.760 4.305 3.943 4.683 . 0 0 "[ . 1 . 2]" 2 248 1 25 PHE HB2 1 30 LEU H . . 5.500 4.683 4.503 4.946 . 0 0 "[ . 1 . 2]" 2 249 1 27 GLN HB2 1 30 LEU H . . 3.990 3.217 2.970 3.560 . 0 0 "[ . 1 . 2]" 2 250 1 29 GLN HB2 1 30 LEU H . . 4.040 3.821 3.641 4.008 . 0 0 "[ . 1 . 2]" 2 251 1 29 GLN HB3 1 30 LEU H . . 3.500 2.493 2.265 2.727 . 0 0 "[ . 1 . 2]" 2 252 1 30 LEU H 1 30 LEU HB2 . . 3.850 2.311 2.186 2.641 . 0 0 "[ . 1 . 2]" 2 253 1 30 LEU H 1 30 LEU HG . . 4.040 3.680 1.958 4.086 0.046 19 0 "[ . 1 . 2]" 2 254 1 30 LEU H 1 30 LEU HB3 . . 3.690 3.539 3.497 3.586 . 0 0 "[ . 1 . 2]" 2 255 1 30 LEU H 1 30 LEU MD1 . . 3.880 3.206 2.002 3.643 . 0 0 "[ . 1 . 2]" 2 256 1 25 PHE H 1 25 PHE QE . . 4.650 4.581 4.422 4.656 0.006 14 0 "[ . 1 . 2]" 2 257 1 25 PHE H 1 25 PHE QD . . 3.430 2.573 2.306 2.680 . 0 0 "[ . 1 . 2]" 2 258 1 16 TYR QD 1 25 PHE H . . 4.610 4.330 4.144 4.514 . 0 0 "[ . 1 . 2]" 2 259 1 24 THR HA 1 25 PHE H . . 3.150 2.332 2.280 2.367 . 0 0 "[ . 1 . 2]" 2 260 1 14 LYS HA 1 25 PHE H . . 5.500 4.567 4.292 5.106 . 0 0 "[ . 1 . 2]" 2 261 1 16 TYR HA 1 25 PHE H . . 5.500 4.689 4.628 4.752 . 0 0 "[ . 1 . 2]" 2 262 1 25 PHE H 1 26 ARG HA . . 5.500 4.785 4.670 4.839 . 0 0 "[ . 1 . 2]" 2 263 1 24 THR HB 1 25 PHE H . . 3.410 2.565 2.477 2.706 . 0 0 "[ . 1 . 2]" 2 264 1 25 PHE H 1 25 PHE HB3 . . 3.990 3.957 3.937 3.968 . 0 0 "[ . 1 . 2]" 2 265 1 16 TYR HB3 1 25 PHE H . . 4.670 4.154 3.919 4.314 . 0 0 "[ . 1 . 2]" 2 266 1 25 PHE H 1 25 PHE HB2 . . 3.730 3.015 2.988 3.037 . 0 0 "[ . 1 . 2]" 2 267 1 25 PHE H 1 31 LEU HB3 . . 5.500 5.431 5.241 5.506 0.006 5 0 "[ . 1 . 2]" 2 268 1 14 LYS HB2 1 25 PHE H . . 4.860 3.518 3.260 3.716 . 0 0 "[ . 1 . 2]" 2 269 1 14 LYS HB3 1 25 PHE H . . 4.560 2.274 2.089 2.610 . 0 0 "[ . 1 . 2]" 2 270 1 14 LYS HG2 1 25 PHE H . . 4.950 3.809 3.569 4.149 . 0 0 "[ . 1 . 2]" 2 271 1 25 PHE H 1 31 LEU HB2 . . 5.450 4.089 3.918 4.201 . 0 0 "[ . 1 . 2]" 2 272 1 25 PHE H 1 31 LEU MD2 . . 5.180 4.275 3.940 4.568 . 0 0 "[ . 1 . 2]" 2 273 1 40 ASP HB2 1 42 ASN H . . 4.990 3.986 3.460 4.395 . 0 0 "[ . 1 . 2]" 2 274 1 40 ASP HB3 1 42 ASN H . . 4.990 2.861 2.435 3.450 . 0 0 "[ . 1 . 2]" 2 275 1 41 PRO HD2 1 42 ASN H . . 3.970 3.017 2.889 3.114 . 0 0 "[ . 1 . 2]" 2 276 1 41 PRO HD3 1 42 ASN H . . 4.370 4.038 3.971 4.090 . 0 0 "[ . 1 . 2]" 2 277 1 42 ASN H 1 42 ASN QB . . 3.300 2.345 2.130 2.632 . 0 0 "[ . 1 . 2]" 2 278 1 41 PRO HB2 1 42 ASN H . . 4.670 3.954 3.847 4.024 . 0 0 "[ . 1 . 2]" 2 279 1 41 PRO HG3 1 42 ASN H . . 4.770 4.604 4.452 4.708 . 0 0 "[ . 1 . 2]" 2 280 1 41 PRO HB3 1 42 ASN H . . 4.670 4.499 4.439 4.537 . 0 0 "[ . 1 . 2]" 2 281 1 41 PRO HG2 1 42 ASN H . . 4.590 3.329 3.130 3.464 . 0 0 "[ . 1 . 2]" 2 282 1 50 CYS HA 1 53 CYS H . . 5.120 5.010 4.609 5.190 0.070 20 0 "[ . 1 . 2]" 2 283 1 53 CYS H 1 55 LYS H . . 4.260 3.857 3.768 3.976 . 0 0 "[ . 1 . 2]" 2 284 1 53 CYS H 1 54 GLY HA2 . . 4.970 4.298 4.185 4.408 . 0 0 "[ . 1 . 2]" 2 285 1 53 CYS H 1 54 GLY HA3 . . 4.970 4.748 4.654 4.838 . 0 0 "[ . 1 . 2]" 2 286 1 50 CYS HB3 1 53 CYS H . . 4.030 2.824 2.547 3.036 . 0 0 "[ . 1 . 2]" 2 287 1 53 CYS H 1 53 CYS HB2 . . 4.100 3.713 3.676 3.757 . 0 0 "[ . 1 . 2]" 2 288 1 53 CYS H 1 53 CYS HB3 . . 3.900 2.965 2.851 3.079 . 0 0 "[ . 1 . 2]" 2 289 1 52 LYS HB2 1 53 CYS H . . 4.000 2.475 2.213 2.769 . 0 0 "[ . 1 . 2]" 2 290 1 52 LYS HB3 1 53 CYS H . . 4.000 3.382 3.083 3.662 . 0 0 "[ . 1 . 2]" 2 291 1 52 LYS HG2 1 53 CYS H . . 4.980 4.878 4.653 5.027 0.047 20 0 "[ . 1 . 2]" 2 292 1 52 LYS HG3 1 53 CYS H . . 4.980 4.364 4.024 4.738 . 0 0 "[ . 1 . 2]" 2 293 1 50 CYS HB2 1 53 CYS H . . 4.430 4.257 4.142 4.312 . 0 0 "[ . 1 . 2]" 2 294 1 21 CYS HB2 1 22 ASP H . . 3.600 2.109 2.006 2.173 . 0 0 "[ . 1 . 2]" 2 295 1 22 ASP H 1 22 ASP HB3 . . 4.150 2.774 2.460 3.516 . 0 0 "[ . 1 . 2]" 2 296 1 59 ARG HB2 1 62 THR H . . 5.140 3.403 2.669 4.557 . 0 0 "[ . 1 . 2]" 2 297 1 70 CYS HA 1 71 ALA H . . 3.340 2.262 2.157 2.380 . 0 0 "[ . 1 . 2]" 2 298 1 71 ALA H 1 71 ALA MB . . 3.580 2.435 2.152 2.557 . 0 0 "[ . 1 . 2]" 2 299 1 59 ARG HB3 1 62 THR H . . 5.140 3.058 2.203 4.578 . 0 0 "[ . 1 . 2]" 2 300 1 61 ASN QB 1 62 THR H . . 5.130 2.470 2.133 3.322 . 0 0 "[ . 1 . 2]" 2 301 1 42 ASN H 1 42 ASN HD21 . . 4.960 3.321 2.114 4.393 . 0 0 "[ . 1 . 2]" 2 302 1 41 PRO HG2 1 42 ASN HD21 . . 5.380 4.502 2.817 5.301 . 0 0 "[ . 1 . 2]" 2 303 1 42 ASN H 1 42 ASN HD22 . . 4.960 4.111 3.563 4.558 . 0 0 "[ . 1 . 2]" 2 304 1 41 PRO HG2 1 42 ASN HD22 . . 5.380 4.413 3.664 5.126 . 0 0 "[ . 1 . 2]" 2 305 1 36 LYS H 1 37 ARG H . . 3.480 2.653 2.558 2.692 . 0 0 "[ . 1 . 2]" 2 306 1 37 ARG H 1 39 HIS H . . 4.450 4.083 3.985 4.134 . 0 0 "[ . 1 . 2]" 2 307 1 37 ARG H 1 38 TYR QD . . 4.410 4.103 3.929 4.194 . 0 0 "[ . 1 . 2]" 2 308 1 34 HIS HA 1 37 ARG H . . 4.220 3.659 3.483 3.755 . 0 0 "[ . 1 . 2]" 2 309 1 37 ARG H 1 38 TYR HB2 . . 5.150 4.482 4.411 4.561 . 0 0 "[ . 1 . 2]" 2 310 1 36 LYS HB2 1 37 ARG H . . 3.900 3.478 3.423 3.566 . 0 0 "[ . 1 . 2]" 2 311 1 36 LYS HB3 1 37 ARG H . . 4.270 4.003 3.899 4.143 . 0 0 "[ . 1 . 2]" 2 312 1 37 ARG H 1 37 ARG HB2 . . 3.260 2.905 2.774 3.087 . 0 0 "[ . 1 . 2]" 2 313 1 37 ARG H 1 37 ARG HB3 . . 3.350 2.426 2.318 2.536 . 0 0 "[ . 1 . 2]" 2 314 1 37 ARG H 1 37 ARG HG2 . . 4.850 4.331 4.198 4.430 . 0 0 "[ . 1 . 2]" 2 315 1 38 TYR QD 1 39 HIS H . . 4.530 4.161 4.120 4.194 . 0 0 "[ . 1 . 2]" 2 316 1 39 HIS H 1 39 HIS HD2 . . 4.290 3.419 3.355 3.465 . 0 0 "[ . 1 . 2]" 2 317 1 35 PHE HA 1 39 HIS H . . 3.830 3.005 2.839 3.226 . 0 0 "[ . 1 . 2]" 2 318 1 39 HIS H 1 39 HIS HB2 . . 3.850 2.537 2.499 2.592 . 0 0 "[ . 1 . 2]" 2 319 1 38 TYR HB2 1 39 HIS H . . 4.210 2.235 2.195 2.289 . 0 0 "[ . 1 . 2]" 2 320 1 39 HIS H 1 39 HIS HB3 . . 3.850 3.591 3.590 3.592 . 0 0 "[ . 1 . 2]" 2 321 1 38 TYR HB3 1 39 HIS H . . 4.020 2.883 2.826 2.957 . 0 0 "[ . 1 . 2]" 2 322 1 37 ARG H 1 37 ARG QD . . 4.630 4.514 4.388 4.772 0.142 15 0 "[ . 1 . 2]" 2 323 1 69 ASN H 1 69 ASN HB2 . . 3.980 2.518 2.193 3.590 . 0 0 "[ . 1 . 2]" 2 324 1 68 ASP QB 1 69 ASN H . . 3.690 2.321 2.177 2.635 . 0 0 "[ . 1 . 2]" 2 325 1 69 ASN H 1 69 ASN HB3 . . 3.980 3.559 2.913 3.650 . 0 0 "[ . 1 . 2]" 2 326 1 69 ASN H 1 70 CYS HB2 . . 4.930 4.595 4.329 4.814 . 0 0 "[ . 1 . 2]" 2 327 1 67 ALA MB 1 69 ASN H . . 4.900 4.725 4.545 4.829 . 0 0 "[ . 1 . 2]" 2 328 1 66 HIS HA 1 69 ASN H . . 4.820 3.581 3.354 3.760 . 0 0 "[ . 1 . 2]" 2 329 1 67 ALA HA 1 69 ASN H . . 4.770 4.666 4.374 4.766 . 0 0 "[ . 1 . 2]" 2 330 1 68 ASP QB 1 69 ASN HD21 . . 4.930 3.818 2.367 4.876 . 0 0 "[ . 1 . 2]" 2 331 1 68 ASP QB 1 69 ASN HD22 . . 4.930 3.946 3.104 4.514 . 0 0 "[ . 1 . 2]" 2 332 1 52 LYS H 1 54 GLY H . . 4.050 3.685 3.478 3.881 . 0 0 "[ . 1 . 2]" 2 333 1 50 CYS HB3 1 54 GLY H . . 3.930 1.891 1.849 1.951 . 0 0 "[ . 1 . 2]" 2 334 1 53 CYS HB2 1 54 GLY H . . 4.790 3.599 3.499 3.700 . 0 0 "[ . 1 . 2]" 2 335 1 50 CYS HB2 1 54 GLY H . . 4.420 3.530 3.352 3.688 . 0 0 "[ . 1 . 2]" 2 336 1 53 CYS HB3 1 54 GLY H . . 5.000 3.851 3.800 3.923 . 0 0 "[ . 1 . 2]" 2 337 1 54 GLY H 1 55 LYS HB2 . . 5.100 3.884 3.787 3.980 . 0 0 "[ . 1 . 2]" 2 338 1 56 THR H 1 57 PHE H . . 4.660 4.493 4.415 4.543 . 0 0 "[ . 1 . 2]" 2 339 1 55 LYS HA 1 56 THR H . . 2.780 2.405 2.182 2.625 . 0 0 "[ . 1 . 2]" 2 340 1 56 THR H 1 56 THR HB . . 3.810 3.646 3.592 3.747 . 0 0 "[ . 1 . 2]" 2 341 1 55 LYS HB2 1 56 THR H . . 4.540 3.899 3.454 4.306 . 0 0 "[ . 1 . 2]" 2 342 1 55 LYS HB3 1 56 THR H . . 3.690 2.667 2.007 3.700 0.010 2 0 "[ . 1 . 2]" 2 343 1 55 LYS HG3 1 56 THR H . . 4.510 4.109 2.750 4.516 0.006 7 0 "[ . 1 . 2]" 2 344 1 50 CYS H 1 55 LYS H . . 4.010 3.105 2.826 3.393 . 0 0 "[ . 1 . 2]" 2 345 1 50 CYS H 1 54 GLY H . . 4.610 4.154 3.917 4.351 . 0 0 "[ . 1 . 2]" 2 346 1 50 CYS H 1 57 PHE QD . . 4.290 3.059 2.689 3.469 . 0 0 "[ . 1 . 2]" 2 347 1 50 CYS H 1 66 HIS HD2 . . 5.450 5.030 4.253 5.317 . 0 0 "[ . 1 . 2]" 2 348 1 50 CYS H 1 57 PHE QE . . 4.070 3.301 2.858 3.719 . 0 0 "[ . 1 . 2]" 2 349 1 50 CYS H 1 56 THR HA . . 4.020 3.694 3.543 3.824 . 0 0 "[ . 1 . 2]" 2 350 1 50 CYS H 1 55 LYS HA . . 5.320 4.542 4.429 4.644 . 0 0 "[ . 1 . 2]" 2 351 1 50 CYS H 1 50 CYS HB3 . . 3.340 2.799 2.637 2.943 . 0 0 "[ . 1 . 2]" 2 352 1 50 CYS H 1 50 CYS HB2 . . 3.440 2.305 2.184 2.426 . 0 0 "[ . 1 . 2]" 2 353 1 50 CYS H 1 63 MET QG . . 4.910 3.516 3.077 3.882 . 0 0 "[ . 1 . 2]" 2 354 1 49 VAL HB 1 50 CYS H . . 4.430 4.149 4.056 4.245 . 0 0 "[ . 1 . 2]" 2 355 1 50 CYS H 1 55 LYS HB2 . . 5.190 3.997 3.606 4.671 . 0 0 "[ . 1 . 2]" 2 356 1 50 CYS H 1 55 LYS HB3 . . 5.120 4.285 3.715 4.595 . 0 0 "[ . 1 . 2]" 2 357 1 49 VAL MG2 1 50 CYS H . . 4.030 3.428 2.074 3.785 . 0 0 "[ . 1 . 2]" 2 358 1 37 ARG H 1 38 TYR H . . 3.350 2.509 2.488 2.533 . 0 0 "[ . 1 . 2]" 2 359 1 38 TYR H 1 38 TYR QD . . 3.550 2.119 1.936 2.216 . 0 0 "[ . 1 . 2]" 2 360 1 38 TYR H 1 38 TYR QE . . 4.540 4.456 4.286 4.551 0.011 8 0 "[ . 1 . 2]" 2 361 1 34 HIS HA 1 38 TYR H . . 4.650 3.606 3.200 3.735 . 0 0 "[ . 1 . 2]" 2 362 1 35 PHE HA 1 38 TYR H . . 4.220 3.804 3.720 3.989 . 0 0 "[ . 1 . 2]" 2 363 1 38 TYR H 1 38 TYR HB2 . . 3.640 2.291 2.270 2.322 . 0 0 "[ . 1 . 2]" 2 364 1 37 ARG HB2 1 38 TYR H . . 3.950 3.681 3.596 3.751 . 0 0 "[ . 1 . 2]" 2 365 1 38 TYR H 1 38 TYR HB3 . . 3.630 3.556 3.547 3.571 . 0 0 "[ . 1 . 2]" 2 366 1 37 ARG HG2 1 38 TYR H . . 4.890 3.085 2.747 3.437 . 0 0 "[ . 1 . 2]" 2 367 1 37 ARG HG3 1 38 TYR H . . 4.890 4.201 3.559 4.539 . 0 0 "[ . 1 . 2]" 2 368 1 38 TYR H 1 39 HIS HD2 . . 5.370 5.297 5.198 5.397 0.027 16 0 "[ . 1 . 2]" 2 369 1 37 ARG QD 1 38 TYR H . . 5.190 3.978 3.246 4.756 . 0 0 "[ . 1 . 2]" 2 370 1 25 PHE HB3 1 27 GLN H . . 3.690 3.423 2.746 3.661 . 0 0 "[ . 1 . 2]" 2 371 1 27 GLN H 1 27 GLN HG2 . . 4.700 3.527 2.711 4.418 . 0 0 "[ . 1 . 2]" 2 372 1 27 GLN H 1 27 GLN HB2 . . 3.920 2.422 2.305 2.590 . 0 0 "[ . 1 . 2]" 2 373 1 26 ARG HB2 1 27 GLN H . . 4.340 3.297 2.206 4.285 . 0 0 "[ . 1 . 2]" 2 374 1 26 ARG HB3 1 27 GLN H . . 4.340 3.462 2.163 4.173 . 0 0 "[ . 1 . 2]" 2 375 1 27 GLN H 1 30 LEU HB2 . . 4.320 3.260 3.046 3.603 . 0 0 "[ . 1 . 2]" 2 376 1 27 GLN H 1 30 LEU HB3 . . 5.100 4.689 4.402 5.006 . 0 0 "[ . 1 . 2]" 2 377 1 16 TYR QD 1 28 LYS H . . 5.100 3.982 3.814 4.168 . 0 0 "[ . 1 . 2]" 2 378 1 27 GLN H 1 28 LYS H . . 5.500 4.472 4.197 4.553 . 0 0 "[ . 1 . 2]" 2 379 1 27 GLN HB2 1 28 LYS H . . 4.680 4.172 3.772 4.507 . 0 0 "[ . 1 . 2]" 2 380 1 28 LYS H 1 28 LYS HB2 . . 4.070 2.829 2.273 3.601 . 0 0 "[ . 1 . 2]" 2 381 1 28 LYS H 1 28 LYS HB3 . . 4.070 2.543 2.406 2.867 . 0 0 "[ . 1 . 2]" 2 382 1 17 ALA H 1 25 PHE H . . 5.060 4.881 4.775 5.018 . 0 0 "[ . 1 . 2]" 2 383 1 16 TYR H 1 17 ALA H . . 4.420 4.263 4.189 4.384 . 0 0 "[ . 1 . 2]" 2 384 1 16 TYR HA 1 17 ALA H . . 2.860 2.179 2.144 2.194 . 0 0 "[ . 1 . 2]" 2 385 1 15 PRO HA 1 17 ALA H . . 5.450 5.099 4.995 5.395 . 0 0 "[ . 1 . 2]" 2 386 1 16 TYR HB3 1 17 ALA H . . 4.030 3.822 3.627 3.888 . 0 0 "[ . 1 . 2]" 2 387 1 16 TYR HB2 1 17 ALA H . . 4.640 4.393 4.362 4.424 . 0 0 "[ . 1 . 2]" 2 388 1 17 ALA H 1 17 ALA MB . . 3.050 2.332 2.251 2.447 . 0 0 "[ . 1 . 2]" 2 389 1 17 ALA H 1 24 THR MG . . 4.650 4.359 4.225 4.443 . 0 0 "[ . 1 . 2]" 2 390 1 17 ALA H 1 31 LEU MD2 . . 4.180 3.387 3.150 3.623 . 0 0 "[ . 1 . 2]" 2 391 1 17 ALA H 1 24 THR HB . . 5.500 5.398 5.243 5.504 0.004 7 0 "[ . 1 . 2]" 2 392 1 17 ALA H 1 24 THR HA . . 4.810 4.641 4.546 4.756 . 0 0 "[ . 1 . 2]" 2 393 1 24 THR H 1 25 PHE H . . 4.750 4.451 4.409 4.484 . 0 0 "[ . 1 . 2]" 2 394 1 23 LYS H 1 24 THR H . . 4.870 4.534 4.495 4.594 . 0 0 "[ . 1 . 2]" 2 395 1 24 THR H 1 25 PHE QE . . 5.000 4.159 3.851 4.329 . 0 0 "[ . 1 . 2]" 2 396 1 23 LYS HA 1 24 THR H . . 2.850 2.299 2.229 2.373 . 0 0 "[ . 1 . 2]" 2 397 1 23 LYS HB2 1 24 THR H . . 4.080 3.930 3.728 4.082 0.002 10 0 "[ . 1 . 2]" 2 398 1 23 LYS HB3 1 24 THR H . . 4.080 2.709 2.497 2.927 . 0 0 "[ . 1 . 2]" 2 399 1 24 THR H 1 24 THR MG . . 3.610 3.047 2.923 3.246 . 0 0 "[ . 1 . 2]" 2 400 1 43 PHE QD 1 44 VAL H . . 3.900 2.788 2.503 3.067 . 0 0 "[ . 1 . 2]" 2 401 1 43 PHE HA 1 44 VAL H . . 2.820 2.174 2.144 2.237 . 0 0 "[ . 1 . 2]" 2 402 1 44 VAL H 1 45 PRO QD . . 4.400 3.916 3.609 4.056 . 0 0 "[ . 1 . 2]" 2 403 1 43 PHE HB2 1 44 VAL H . . 4.310 4.246 4.089 4.333 0.023 9 0 "[ . 1 . 2]" 2 404 1 43 PHE HB3 1 44 VAL H . . 4.310 4.031 3.792 4.166 . 0 0 "[ . 1 . 2]" 2 405 1 44 VAL H 1 44 VAL MG1 . . 3.300 2.178 1.991 2.369 . 0 0 "[ . 1 . 2]" 2 406 1 72 GLY H 1 73 PRO QD . . 4.410 4.328 4.308 4.352 . 0 0 "[ . 1 . 2]" 2 407 1 53 CYS HB2 1 72 GLY H . . 5.500 5.097 4.561 5.497 . 0 0 "[ . 1 . 2]" 2 408 1 70 CYS HB3 1 72 GLY H . . 5.150 4.835 3.753 5.148 . 0 0 "[ . 1 . 2]" 2 409 1 53 CYS HB3 1 72 GLY H . . 4.480 3.559 3.159 3.848 . 0 0 "[ . 1 . 2]" 2 410 1 70 CYS HB2 1 72 GLY H . . 5.500 5.176 4.570 5.506 0.006 20 0 "[ . 1 . 2]" 2 411 1 71 ALA MB 1 72 GLY H . . 3.970 2.788 2.425 3.701 . 0 0 "[ . 1 . 2]" 2 412 1 70 CYS HA 1 72 GLY H . . 4.260 4.101 3.810 4.272 0.012 12 0 "[ . 1 . 2]" 2 413 1 19 SER H 1 20 HIS H . . 4.190 2.346 2.165 2.539 . 0 0 "[ . 1 . 2]" 2 414 1 20 HIS H 1 20 HIS HB2 . . 3.950 2.323 2.191 2.449 . 0 0 "[ . 1 . 2]" 2 415 1 20 HIS H 1 20 HIS HB3 . . 3.950 3.555 3.499 3.622 . 0 0 "[ . 1 . 2]" 2 416 1 18 CYS HB3 1 20 HIS H . . 4.710 4.253 3.408 4.506 . 0 0 "[ . 1 . 2]" 2 417 1 20 HIS H 1 21 CYS HA . . 5.500 5.282 4.865 5.382 . 0 0 "[ . 1 . 2]" 2 418 1 18 CYS H 1 25 PHE H . . 4.980 4.761 4.638 4.979 . 0 0 "[ . 1 . 2]" 2 419 1 30 LEU H 1 31 LEU H . . 3.360 2.806 2.681 2.928 . 0 0 "[ . 1 . 2]" 2 420 1 25 PHE QD 1 31 LEU H . . 4.450 3.779 3.549 3.887 . 0 0 "[ . 1 . 2]" 2 421 1 33 MET H 1 36 LYS H . . 5.360 5.162 5.091 5.240 . 0 0 "[ . 1 . 2]" 2 422 1 34 HIS H 1 36 LYS H . . 4.730 4.482 4.319 4.752 0.022 16 0 "[ . 1 . 2]" 2 423 1 35 PHE QD 1 36 LYS H . . 3.680 2.972 2.723 3.152 . 0 0 "[ . 1 . 2]" 2 424 1 36 LYS H 1 43 PHE QD . . 5.500 5.332 5.074 5.489 . 0 0 "[ . 1 . 2]" 2 425 1 38 TYR H 1 39 HIS H . . 3.300 2.807 2.753 2.897 . 0 0 "[ . 1 . 2]" 2 426 1 44 VAL MG2 1 47 ALA H . . 4.800 4.642 4.469 4.788 . 0 0 "[ . 1 . 2]" 2 427 1 49 VAL H 1 50 CYS H . . 4.600 4.507 4.443 4.560 . 0 0 "[ . 1 . 2]" 2 428 1 50 CYS H 1 57 PHE H . . 4.960 4.679 4.402 4.960 . 0 0 "[ . 1 . 2]" 2 429 1 68 ASP H 1 69 ASN H . . 3.540 2.940 2.827 3.095 . 0 0 "[ . 1 . 2]" 2 430 1 74 ASP H 1 75 GLY H . . 4.410 3.472 2.164 4.419 0.009 6 0 "[ . 1 . 2]" 2 431 1 75 GLY H 1 76 VAL H . . 4.720 4.114 2.524 4.635 . 0 0 "[ . 1 . 2]" 2 432 1 18 CYS HB2 1 19 SER H . . 5.170 4.122 3.981 4.255 . 0 0 "[ . 1 . 2]" 2 433 1 18 CYS HB3 1 19 SER H . . 4.970 3.727 3.638 3.828 . 0 0 "[ . 1 . 2]" 2 434 1 21 CYS H 1 22 ASP H . . 4.450 4.416 4.389 4.451 0.001 17 0 "[ . 1 . 2]" 2 435 1 21 CYS H 1 21 CYS HB2 . . 3.950 3.809 3.764 3.866 . 0 0 "[ . 1 . 2]" 2 436 1 65 ARG H 1 66 HIS H . . 3.610 2.708 2.620 2.807 . 0 0 "[ . 1 . 2]" 2 437 1 39 HIS H 1 40 ASP H . . 3.090 2.710 2.684 2.725 . 0 0 "[ . 1 . 2]" 2 438 1 48 PHE H 1 49 VAL H . . 4.580 4.108 3.901 4.405 . 0 0 "[ . 1 . 2]" 2 439 1 71 ALA H 1 72 GLY H . . 3.870 2.126 1.831 2.849 . 0 0 "[ . 1 . 2]" 2 440 1 67 ALA HA 1 70 CYS H . . 3.790 3.282 3.118 3.404 . 0 0 "[ . 1 . 2]" 2 441 1 12 GLY QA 1 13 GLU QG . . 5.430 4.472 3.445 5.417 . 0 0 "[ . 1 . 2]" 2 442 1 77 GLU QG 1 78 GLY QA . . 5.500 4.389 3.022 5.447 . 0 0 "[ . 1 . 2]" 2 443 1 78 GLY QA 1 79 GLU QG . . 5.500 4.412 3.402 5.441 . 0 0 "[ . 1 . 2]" 2 444 1 25 PHE HB3 1 30 LEU HB2 . . 3.900 2.180 1.984 2.362 . 0 0 "[ . 1 . 2]" 2 445 1 25 PHE HB3 1 30 LEU MD2 . . 4.750 3.614 2.509 4.591 . 0 0 "[ . 1 . 2]" 2 446 1 16 TYR H 1 25 PHE HB2 . . 5.230 4.866 4.652 5.191 . 0 0 "[ . 1 . 2]" 2 447 1 25 PHE HB2 1 27 GLN H . . 4.130 3.948 3.177 4.177 0.047 11 0 "[ . 1 . 2]" 2 448 1 24 THR HA 1 25 PHE HB2 . . 5.030 4.693 4.657 4.729 . 0 0 "[ . 1 . 2]" 2 449 1 25 PHE HB2 1 26 ARG HA . . 5.230 4.973 4.876 5.103 . 0 0 "[ . 1 . 2]" 2 450 1 16 TYR HB3 1 25 PHE HB2 . . 4.440 3.764 3.743 3.790 . 0 0 "[ . 1 . 2]" 2 451 1 25 PHE HB2 1 30 LEU HB3 . . 4.490 3.697 3.351 4.481 . 0 0 "[ . 1 . 2]" 2 452 1 25 PHE HB2 1 31 LEU HB2 . . 4.170 2.531 2.319 2.757 . 0 0 "[ . 1 . 2]" 2 453 1 25 PHE HB2 1 31 LEU MD2 . . 4.760 3.993 3.687 4.219 . 0 0 "[ . 1 . 2]" 2 454 1 25 PHE HB3 1 31 LEU H . . 4.260 3.369 3.145 3.514 . 0 0 "[ . 1 . 2]" 2 455 1 25 PHE HB3 1 30 LEU HB3 . . 4.240 2.481 2.183 3.121 . 0 0 "[ . 1 . 2]" 2 456 1 25 PHE HB2 1 31 LEU H . . 4.250 2.881 2.755 2.990 . 0 0 "[ . 1 . 2]" 2 457 1 25 PHE HB2 1 30 LEU HB2 . . 4.320 3.049 2.736 3.273 . 0 0 "[ . 1 . 2]" 2 458 1 72 GLY HA3 1 73 PRO QG . . 4.900 3.952 3.880 4.035 . 0 0 "[ . 1 . 2]" 2 459 1 53 CYS HA 1 72 GLY HA2 . . 5.050 3.001 2.619 3.456 . 0 0 "[ . 1 . 2]" 2 460 1 72 GLY HA2 1 73 PRO QG . . 4.690 4.395 4.282 4.507 . 0 0 "[ . 1 . 2]" 2 461 1 57 PHE HB3 1 63 MET HA . . 4.890 3.937 3.469 4.303 . 0 0 "[ . 1 . 2]" 2 462 1 57 PHE HB3 1 63 MET HB3 . . 4.700 4.390 4.056 4.705 0.005 3 0 "[ . 1 . 2]" 2 463 1 48 PHE HB2 1 57 PHE HB3 . . 4.390 3.898 3.544 4.092 . 0 0 "[ . 1 . 2]" 2 464 1 48 PHE HB2 1 57 PHE HB2 . . 4.080 2.809 2.499 3.027 . 0 0 "[ . 1 . 2]" 2 465 1 57 PHE HB2 1 63 MET HB2 . . 4.200 2.222 2.039 2.515 . 0 0 "[ . 1 . 2]" 2 466 1 56 THR HA 1 57 PHE HB2 . . 5.080 4.429 4.390 4.496 . 0 0 "[ . 1 . 2]" 2 467 1 57 PHE HB3 1 63 MET HB2 . . 4.440 2.690 2.335 2.971 . 0 0 "[ . 1 . 2]" 2 468 1 57 PHE HB2 1 63 MET HB3 . . 4.640 3.779 3.625 4.073 . 0 0 "[ . 1 . 2]" 2 469 1 26 ARG HA 1 26 ARG QD . . 4.240 4.113 3.720 4.341 0.101 20 0 "[ . 1 . 2]" 2 470 1 26 ARG QD 1 27 GLN HB2 . . 5.500 4.708 2.036 5.509 0.009 9 0 "[ . 1 . 2]" 2 471 1 26 ARG HB2 1 26 ARG QD . . 3.860 2.547 2.065 3.080 . 0 0 "[ . 1 . 2]" 2 472 1 14 LYS HG2 1 26 ARG QD . . 5.500 4.533 3.842 5.385 . 0 0 "[ . 1 . 2]" 2 473 1 26 ARG QD 1 27 GLN H . . 5.240 3.909 2.409 4.482 . 0 0 "[ . 1 . 2]" 2 474 1 65 ARG HA 1 65 ARG QD . . 4.470 4.008 3.655 4.197 . 0 0 "[ . 1 . 2]" 2 475 1 62 THR MG 1 65 ARG QD . . 5.500 4.492 3.869 5.371 . 0 0 "[ . 1 . 2]" 2 476 1 64 ALA MB 1 65 ARG QD . . 5.500 4.806 4.252 5.208 . 0 0 "[ . 1 . 2]" 2 477 1 48 PHE QE 1 60 ARG QD . . 4.500 3.481 1.860 4.468 . 0 0 "[ . 1 . 2]" 2 478 1 48 PHE QD 1 60 ARG QD . . 5.060 3.976 2.253 4.776 . 0 0 "[ . 1 . 2]" 2 479 1 60 ARG QD 1 63 MET ME . . 4.760 4.344 3.380 4.773 0.013 18 0 "[ . 1 . 2]" 2 480 1 37 ARG QD 1 38 TYR QD . . 4.940 2.873 1.952 4.010 . 0 0 "[ . 1 . 2]" 2 481 1 33 MET QB 1 37 ARG QD . . 5.500 4.396 3.704 5.434 . 0 0 "[ . 1 . 2]" 2 482 1 40 ASP HB2 1 43 PHE H . . 5.390 4.447 3.639 5.116 . 0 0 "[ . 1 . 2]" 2 483 1 36 LYS QE 1 43 PHE QD . . 5.440 4.417 3.392 5.441 0.001 12 0 "[ . 1 . 2]" 2 484 1 52 LYS QE 1 70 CYS H . . 5.500 4.403 3.948 5.305 . 0 0 "[ . 1 . 2]" 2 485 1 52 LYS HA 1 52 LYS QE . . 4.780 4.463 3.380 4.740 . 0 0 "[ . 1 . 2]" 2 486 1 52 LYS QE 1 67 ALA HA . . 5.340 4.094 3.428 4.930 . 0 0 "[ . 1 . 2]" 2 487 1 52 LYS HB2 1 52 LYS QE . . 5.110 3.976 3.301 4.198 . 0 0 "[ . 1 . 2]" 2 488 1 40 ASP HB3 1 43 PHE H . . 5.390 3.546 3.210 3.862 . 0 0 "[ . 1 . 2]" 2 489 1 40 ASP H 1 40 ASP HB3 . . 3.850 3.436 2.870 3.893 0.043 3 0 "[ . 1 . 2]" 2 490 1 35 PHE QE 1 40 ASP HB3 . . 5.500 5.275 4.893 5.505 0.005 4 0 "[ . 1 . 2]" 2 491 1 28 LYS QE 1 28 LYS HG3 . . 3.730 2.653 2.129 3.504 . 0 0 "[ . 1 . 2]" 2 492 1 28 LYS QE 1 28 LYS HG2 . . 3.730 2.505 2.262 2.911 . 0 0 "[ . 1 . 2]" 2 493 1 14 LYS HA 1 14 LYS QE . . 5.010 4.687 4.527 4.891 . 0 0 "[ . 1 . 2]" 2 494 1 14 LYS QE 1 26 ARG HA . . 5.500 4.649 3.786 5.113 . 0 0 "[ . 1 . 2]" 2 495 1 14 LYS QE 1 14 LYS HG3 . . 3.760 2.572 2.194 3.221 . 0 0 "[ . 1 . 2]" 2 496 1 14 LYS QE 1 14 LYS HG2 . . 3.840 2.413 2.106 2.757 . 0 0 "[ . 1 . 2]" 2 497 1 27 GLN HB2 1 30 LEU HB2 . . 5.020 3.667 3.159 4.166 . 0 0 "[ . 1 . 2]" 2 498 1 25 PHE QE 1 30 LEU HB3 . . 4.730 3.779 3.656 3.999 . 0 0 "[ . 1 . 2]" 2 499 1 27 GLN HB2 1 30 LEU HB3 . . 5.330 5.162 4.680 5.415 0.085 8 0 "[ . 1 . 2]" 2 500 1 68 ASP QB 1 69 ASN HA . . 5.140 4.035 3.832 4.546 . 0 0 "[ . 1 . 2]" 2 501 1 67 ALA MB 1 68 ASP QB . . 5.010 4.127 3.822 4.469 . 0 0 "[ . 1 . 2]" 2 502 1 48 PHE HB3 1 57 PHE HB2 . . 4.150 3.803 3.496 4.020 . 0 0 "[ . 1 . 2]" 2 503 1 22 ASP H 1 22 ASP HB2 . . 4.140 2.633 2.252 2.973 . 0 0 "[ . 1 . 2]" 2 504 1 21 CYS HB2 1 22 ASP HB2 . . 5.210 4.699 4.272 5.043 . 0 0 "[ . 1 . 2]" 2 505 1 21 CYS HA 1 22 ASP HB2 . . 5.290 4.350 4.254 4.539 . 0 0 "[ . 1 . 2]" 2 506 1 67 ALA H 1 68 ASP QB . . 5.330 4.662 4.453 4.978 . 0 0 "[ . 1 . 2]" 2 507 1 48 PHE HB3 1 57 PHE HB3 . . 5.500 5.139 4.756 5.381 . 0 0 "[ . 1 . 2]" 2 508 1 48 PHE HB3 1 63 MET HB2 . . 4.550 3.548 3.155 3.814 . 0 0 "[ . 1 . 2]" 2 509 1 48 PHE HB2 1 63 MET HB2 . . 4.580 3.218 2.843 3.579 . 0 0 "[ . 1 . 2]" 2 510 1 36 LYS HA 1 43 PHE HB2 . . 4.630 4.302 4.126 4.414 . 0 0 "[ . 1 . 2]" 2 511 1 36 LYS HA 1 43 PHE HB3 . . 4.630 4.429 4.115 4.655 0.025 16 0 "[ . 1 . 2]" 2 512 1 36 LYS HB2 1 43 PHE HB3 . . 4.960 3.725 3.310 4.099 . 0 0 "[ . 1 . 2]" 2 513 1 57 PHE HZ 1 66 HIS HE1 . . 4.780 3.686 3.199 4.016 . 0 0 "[ . 1 . 2]" 2 514 1 66 HIS HE1 1 70 CYS HB2 . . 4.710 3.434 3.055 3.808 . 0 0 "[ . 1 . 2]" 2 515 1 55 LYS HD3 1 66 HIS HE1 . . 4.610 3.911 2.979 4.567 . 0 0 "[ . 1 . 2]" 2 516 1 55 LYS HB2 1 66 HIS HE1 . . 5.410 4.869 4.401 5.328 . 0 0 "[ . 1 . 2]" 2 517 1 35 PHE HB2 1 36 LYS HA . . 5.500 5.569 5.553 5.597 0.097 17 0 "[ . 1 . 2]" 2 518 1 31 LEU MD1 1 35 PHE HB2 . . 4.670 3.347 3.088 3.573 . 0 0 "[ . 1 . 2]" 2 519 1 35 PHE HB3 1 36 LYS HA . . 5.320 4.201 4.131 4.280 . 0 0 "[ . 1 . 2]" 2 520 1 31 LEU HG 1 35 PHE HB3 . . 5.500 5.481 5.387 5.515 0.015 18 0 "[ . 1 . 2]" 2 521 1 35 PHE HB3 1 36 LYS HB3 . . 5.500 5.503 5.426 5.531 0.031 12 0 "[ . 1 . 2]" 2 522 1 31 LEU H 1 32 ASP HB3 . . 5.310 5.111 4.983 5.223 . 0 0 "[ . 1 . 2]" 2 523 1 32 ASP HB3 1 33 MET QB . . 4.800 3.859 3.792 3.941 . 0 0 "[ . 1 . 2]" 2 524 1 32 ASP H 1 32 ASP HB3 . . 3.770 2.700 2.604 2.783 . 0 0 "[ . 1 . 2]" 2 525 1 32 ASP HB3 1 33 MET H . . 4.000 2.470 2.337 2.614 . 0 0 "[ . 1 . 2]" 2 526 1 32 ASP H 1 32 ASP HB2 . . 3.640 2.443 2.348 2.545 . 0 0 "[ . 1 . 2]" 2 527 1 32 ASP HB2 1 33 MET H . . 3.920 3.655 3.565 3.747 . 0 0 "[ . 1 . 2]" 2 528 1 31 LEU H 1 32 ASP HB2 . . 5.320 4.687 4.524 4.831 . 0 0 "[ . 1 . 2]" 2 529 1 29 GLN HA 1 32 ASP HB2 . . 3.670 2.972 2.810 3.116 . 0 0 "[ . 1 . 2]" 2 530 1 29 GLN HB2 1 32 ASP HB2 . . 5.500 5.353 5.230 5.508 0.008 6 0 "[ . 1 . 2]" 2 531 1 32 ASP HB2 1 33 MET QB . . 5.500 5.401 5.301 5.520 0.020 18 0 "[ . 1 . 2]" 2 532 1 16 TYR QD 1 31 LEU HB3 . . 5.120 4.014 3.789 4.305 . 0 0 "[ . 1 . 2]" 2 533 1 25 PHE QD 1 31 LEU HB3 . . 4.620 3.713 3.651 3.844 . 0 0 "[ . 1 . 2]" 2 534 1 31 LEU H 1 31 LEU HB3 . . 3.650 2.283 2.216 2.330 . 0 0 "[ . 1 . 2]" 2 535 1 30 LEU H 1 31 LEU HB3 . . 5.260 4.765 4.629 4.867 . 0 0 "[ . 1 . 2]" 2 536 1 25 PHE HB3 1 31 LEU HB3 . . 5.080 4.727 4.347 4.907 . 0 0 "[ . 1 . 2]" 2 537 1 25 PHE HB2 1 31 LEU HB3 . . 4.540 3.386 3.074 3.534 . 0 0 "[ . 1 . 2]" 2 538 1 31 LEU HB2 1 32 ASP H . . 4.300 4.235 4.104 4.318 0.018 1 0 "[ . 1 . 2]" 2 539 1 25 PHE QD 1 31 LEU HB2 . . 4.240 2.041 1.984 2.281 . 0 0 "[ . 1 . 2]" 2 540 1 16 TYR QD 1 31 LEU HB2 . . 5.180 4.692 4.562 4.989 . 0 0 "[ . 1 . 2]" 2 541 1 16 TYR HA 1 31 LEU HB2 . . 5.500 5.241 5.108 5.430 . 0 0 "[ . 1 . 2]" 2 542 1 18 CYS HA 1 31 LEU HB2 . . 5.500 5.136 4.934 5.387 . 0 0 "[ . 1 . 2]" 2 543 1 28 LYS HA 1 31 LEU HB2 . . 4.180 4.072 3.930 4.167 . 0 0 "[ . 1 . 2]" 2 544 1 25 PHE HB3 1 31 LEU HB2 . . 4.700 3.923 3.705 4.123 . 0 0 "[ . 1 . 2]" 2 545 1 21 CYS HA 1 39 HIS HE1 . . 5.190 4.353 4.161 4.588 . 0 0 "[ . 1 . 2]" 2 546 1 39 HIS HA 1 39 HIS HE1 . . 5.500 4.734 4.709 4.782 . 0 0 "[ . 1 . 2]" 2 547 1 21 CYS HB3 1 39 HIS HE1 . . 3.460 2.490 2.239 2.777 . 0 0 "[ . 1 . 2]" 2 548 1 20 HIS HB2 1 39 HIS HE1 . . 4.480 3.454 3.183 3.822 . 0 0 "[ . 1 . 2]" 2 549 1 38 TYR HB2 1 39 HIS HE1 . . 5.500 5.423 5.204 5.505 0.005 18 0 "[ . 1 . 2]" 2 550 1 20 HIS HB3 1 39 HIS HE1 . . 4.480 2.680 2.321 3.417 . 0 0 "[ . 1 . 2]" 2 551 1 38 TYR HB3 1 39 HIS HE1 . . 5.250 5.158 4.982 5.259 0.009 15 0 "[ . 1 . 2]" 2 552 1 31 LEU MD1 1 35 PHE HB3 . . 4.750 4.582 4.353 4.753 0.003 12 0 "[ . 1 . 2]" 2 553 1 20 HIS HE1 1 35 PHE QE . . 4.710 3.038 2.853 3.286 . 0 0 "[ . 1 . 2]" 2 554 1 20 HIS HE1 1 35 PHE HZ . . 4.550 3.779 3.290 4.466 . 0 0 "[ . 1 . 2]" 2 555 1 19 SER HB2 1 20 HIS HE1 . . 5.500 5.113 4.353 5.503 0.003 7 0 "[ . 1 . 2]" 2 556 1 19 SER HB3 1 20 HIS HE1 . . 5.500 5.106 3.900 5.505 0.005 18 0 "[ . 1 . 2]" 2 557 1 34 HIS HE1 1 38 TYR QD . . 4.490 3.998 3.673 4.168 . 0 0 "[ . 1 . 2]" 2 558 1 25 PHE QE 1 34 HIS HE1 . . 5.070 4.601 4.415 4.835 . 0 0 "[ . 1 . 2]" 2 559 1 25 PHE HZ 1 34 HIS HE1 . . 4.970 3.494 3.338 3.770 . 0 0 "[ . 1 . 2]" 2 560 1 34 HIS HE1 1 38 TYR HB2 . . 4.740 3.759 3.592 3.951 . 0 0 "[ . 1 . 2]" 2 561 1 23 LYS QG 1 34 HIS HE1 . . 3.430 2.342 2.212 2.435 . 0 0 "[ . 1 . 2]" 2 562 1 41 PRO HG2 1 42 ASN QB . . 5.130 4.917 4.636 5.080 . 0 0 "[ . 1 . 2]" 2 563 1 18 CYS H 1 24 THR HB . . 5.430 5.317 5.124 5.434 0.004 4 0 "[ . 1 . 2]" 2 564 1 16 TYR H 1 24 THR HB . . 4.740 4.658 4.355 4.751 0.011 15 0 "[ . 1 . 2]" 2 565 1 24 THR HB 1 25 PHE QD . . 4.650 4.579 4.358 4.665 0.015 5 0 "[ . 1 . 2]" 2 566 1 14 LYS HA 1 24 THR HB . . 4.760 4.467 4.363 4.685 . 0 0 "[ . 1 . 2]" 2 567 1 16 TYR HB3 1 25 PHE HB3 . . 5.500 5.507 5.487 5.534 0.034 11 0 "[ . 1 . 2]" 2 568 1 16 TYR HB3 1 31 LEU HB3 . . 4.520 3.052 2.856 3.297 . 0 0 "[ . 1 . 2]" 2 569 1 16 TYR HB3 1 31 LEU HG . . 5.010 4.300 4.198 4.434 . 0 0 "[ . 1 . 2]" 2 570 1 16 TYR HB3 1 31 LEU HB2 . . 4.380 3.116 2.981 3.424 . 0 0 "[ . 1 . 2]" 2 571 1 16 TYR HB3 1 31 LEU MD1 . . 4.550 4.120 3.789 4.336 . 0 0 "[ . 1 . 2]" 2 572 1 16 TYR HB3 1 25 PHE QD . . 4.750 3.821 3.668 4.158 . 0 0 "[ . 1 . 2]" 2 573 1 16 TYR HB2 1 25 PHE QD . . 4.850 3.428 3.272 3.649 . 0 0 "[ . 1 . 2]" 2 574 1 16 TYR HB2 1 25 PHE HB3 . . 4.730 4.339 4.235 4.470 . 0 0 "[ . 1 . 2]" 2 575 1 16 TYR HB2 1 31 LEU HB3 . . 4.630 3.765 3.625 3.902 . 0 0 "[ . 1 . 2]" 2 576 1 16 TYR HB2 1 31 LEU HG . . 5.500 5.527 5.478 5.606 0.106 9 0 "[ . 1 . 2]" 2 577 1 16 TYR HB2 1 31 LEU HB2 . . 4.530 3.366 3.294 3.515 . 0 0 "[ . 1 . 2]" 2 578 1 16 TYR HB2 1 31 LEU MD1 . . 4.990 4.751 4.429 4.853 . 0 0 "[ . 1 . 2]" 2 579 1 38 TYR HB2 1 40 ASP H . . 5.500 4.389 4.347 4.452 . 0 0 "[ . 1 . 2]" 2 580 1 34 HIS HE1 1 38 TYR HB3 . . 4.910 4.406 4.148 4.639 . 0 0 "[ . 1 . 2]" 2 581 1 38 TYR HB3 1 40 ASP H . . 4.930 4.729 4.670 4.856 . 0 0 "[ . 1 . 2]" 2 582 1 16 TYR HB2 1 25 PHE H . . 4.780 2.881 2.617 3.090 . 0 0 "[ . 1 . 2]" 2 583 1 56 THR HB 1 57 PHE H . . 3.620 3.053 2.898 3.323 . 0 0 "[ . 1 . 2]" 2 584 1 76 VAL MG1 1 77 GLU QG . . 5.500 4.716 3.539 5.496 . 0 0 "[ . 1 . 2]" 2 585 1 76 VAL MG2 1 77 GLU QG . . 5.500 4.445 2.456 5.417 . 0 0 "[ . 1 . 2]" 2 586 1 59 ARG H 1 62 THR HB . . 4.910 3.534 3.094 4.296 . 0 0 "[ . 1 . 2]" 2 587 1 57 PHE HB3 1 62 THR HB . . 4.260 3.517 3.167 3.923 . 0 0 "[ . 1 . 2]" 2 588 1 62 THR HB 1 63 MET HA . . 5.330 4.194 4.039 4.340 . 0 0 "[ . 1 . 2]" 2 589 1 62 THR HB 1 63 MET H . . 3.570 2.446 2.203 2.628 . 0 0 "[ . 1 . 2]" 2 590 1 57 PHE QE 1 62 THR HB . . 5.340 5.061 4.547 5.290 . 0 0 "[ . 1 . 2]" 2 591 1 57 PHE HB2 1 62 THR HB . . 5.260 4.927 4.673 5.267 0.007 18 0 "[ . 1 . 2]" 2 592 1 59 ARG HB2 1 62 THR HB . . 4.410 3.000 2.089 4.322 . 0 0 "[ . 1 . 2]" 2 593 1 59 ARG HB3 1 62 THR HB . . 4.410 3.453 2.280 4.412 0.002 18 0 "[ . 1 . 2]" 2 594 1 52 LYS HB2 1 72 GLY HA2 . . 4.900 3.848 3.404 4.235 . 0 0 "[ . 1 . 2]" 2 595 1 52 LYS HB2 1 70 CYS HB3 . . 5.310 3.195 3.004 3.479 . 0 0 "[ . 1 . 2]" 2 596 1 52 LYS HB3 1 72 GLY HA2 . . 4.900 2.695 2.243 3.013 . 0 0 "[ . 1 . 2]" 2 597 1 52 LYS HB3 1 52 LYS QE . . 5.110 3.677 2.163 4.199 . 0 0 "[ . 1 . 2]" 2 598 1 52 LYS HB3 1 70 CYS HB3 . . 5.310 3.871 3.640 4.299 . 0 0 "[ . 1 . 2]" 2 599 1 16 TYR QD 1 17 ALA H . . 4.880 4.772 4.575 4.854 . 0 0 "[ . 1 . 2]" 2 600 1 16 TYR HA 1 16 TYR QD . . 3.380 3.101 3.062 3.145 . 0 0 "[ . 1 . 2]" 2 601 1 15 PRO HD2 1 16 TYR QD . . 4.210 2.618 2.496 2.788 . 0 0 "[ . 1 . 2]" 2 602 1 15 PRO HG2 1 16 TYR QD . . 4.550 2.171 1.991 2.484 . 0 0 "[ . 1 . 2]" 2 603 1 15 PRO HG3 1 16 TYR QD . . 4.550 3.739 3.585 3.995 . 0 0 "[ . 1 . 2]" 2 604 1 16 TYR QD 1 31 LEU MD2 . . 3.690 2.821 2.487 3.320 . 0 0 "[ . 1 . 2]" 2 605 1 34 HIS HA 1 38 TYR QD . . 3.700 3.077 2.360 3.329 . 0 0 "[ . 1 . 2]" 2 606 1 37 ARG HB2 1 38 TYR QD . . 4.270 4.010 3.900 4.093 . 0 0 "[ . 1 . 2]" 2 607 1 38 TYR HA 1 38 TYR QD . . 3.530 3.074 3.037 3.105 . 0 0 "[ . 1 . 2]" 2 608 1 55 LYS HB3 1 57 PHE QD . . 5.130 3.737 3.388 4.082 . 0 0 "[ . 1 . 2]" 2 609 1 29 GLN QG 1 30 LEU H . . 4.210 3.548 3.163 4.144 . 0 0 "[ . 1 . 2]" 2 610 1 29 GLN HA 1 29 GLN QG . . 3.510 2.653 2.309 2.996 . 0 0 "[ . 1 . 2]" 2 611 1 29 GLN QG 1 32 ASP HB3 . . 4.550 3.994 3.642 4.386 . 0 0 "[ . 1 . 2]" 2 612 1 29 GLN QG 1 30 LEU MD1 . . 5.320 3.886 2.645 5.347 0.027 18 0 "[ . 1 . 2]" 2 613 1 27 GLN H 1 27 GLN HG3 . . 4.700 3.560 2.702 4.286 . 0 0 "[ . 1 . 2]" 2 614 1 23 LYS H 1 23 LYS HB2 . . 3.850 2.423 2.365 2.470 . 0 0 "[ . 1 . 2]" 2 615 1 23 LYS HB2 1 25 PHE QD . . 5.420 4.984 4.803 5.089 . 0 0 "[ . 1 . 2]" 2 616 1 18 CYS HB3 1 23 LYS HB2 . . 5.150 2.972 2.783 3.110 . 0 0 "[ . 1 . 2]" 2 617 1 18 CYS HB2 1 23 LYS HB2 . . 5.340 3.021 2.826 3.267 . 0 0 "[ . 1 . 2]" 2 618 1 23 LYS HB3 1 25 PHE QD . . 5.420 4.429 4.300 4.476 . 0 0 "[ . 1 . 2]" 2 619 1 18 CYS HB3 1 23 LYS HB3 . . 5.150 4.522 4.299 4.723 . 0 0 "[ . 1 . 2]" 2 620 1 18 CYS HB2 1 23 LYS HB3 . . 5.340 4.140 3.886 4.346 . 0 0 "[ . 1 . 2]" 2 621 1 57 PHE QD 1 63 MET HB3 . . 4.730 4.544 4.367 4.747 0.017 9 0 "[ . 1 . 2]" 2 622 1 57 PHE QD 1 66 HIS HD2 . . 4.880 4.553 4.141 4.857 . 0 0 "[ . 1 . 2]" 2 623 1 53 CYS HB2 1 55 LYS H . . 4.700 4.276 3.882 4.520 . 0 0 "[ . 1 . 2]" 2 624 1 53 CYS HB2 1 73 PRO HA . . 3.940 2.456 1.996 3.316 . 0 0 "[ . 1 . 2]" 2 625 1 53 CYS HB2 1 73 PRO QD . . 4.530 4.152 3.762 4.525 . 0 0 "[ . 1 . 2]" 2 626 1 53 CYS HB2 1 72 GLY HA2 . . 4.870 4.387 3.957 4.790 . 0 0 "[ . 1 . 2]" 2 627 1 53 CYS HB2 1 73 PRO QG . . 5.380 4.996 4.572 5.366 . 0 0 "[ . 1 . 2]" 2 628 1 53 CYS HB3 1 73 PRO HA . . 4.030 3.208 2.663 3.949 . 0 0 "[ . 1 . 2]" 2 629 1 53 CYS HB3 1 73 PRO QD . . 4.450 3.860 3.317 4.335 . 0 0 "[ . 1 . 2]" 2 630 1 53 CYS HB3 1 72 GLY HA2 . . 4.360 3.087 2.678 3.539 . 0 0 "[ . 1 . 2]" 2 631 1 44 VAL H 1 44 VAL HB . . 3.520 3.357 3.203 3.540 0.020 16 0 "[ . 1 . 2]" 2 632 1 43 PHE HA 1 44 VAL HB . . 4.770 4.593 4.492 4.751 . 0 0 "[ . 1 . 2]" 2 633 1 44 VAL HB 1 45 PRO QD . . 4.290 3.737 3.600 3.850 . 0 0 "[ . 1 . 2]" 2 634 1 16 TYR H 1 25 PHE QD . . 5.500 5.308 5.158 5.513 0.013 14 0 "[ . 1 . 2]" 2 635 1 16 TYR QD 1 25 PHE QD . . 5.500 5.168 5.048 5.355 . 0 0 "[ . 1 . 2]" 2 636 1 24 THR HA 1 25 PHE QD . . 3.900 2.794 2.545 2.885 . 0 0 "[ . 1 . 2]" 2 637 1 25 PHE HA 1 25 PHE QD . . 3.840 3.210 3.166 3.289 . 0 0 "[ . 1 . 2]" 2 638 1 18 CYS HA 1 25 PHE QD . . 5.230 5.110 4.921 5.219 . 0 0 "[ . 1 . 2]" 2 639 1 25 PHE QD 1 30 LEU HA . . 4.730 4.367 4.204 4.475 . 0 0 "[ . 1 . 2]" 2 640 1 25 PHE QD 1 30 LEU HB2 . . 3.800 3.209 2.546 3.419 . 0 0 "[ . 1 . 2]" 2 641 1 25 PHE QD 1 30 LEU HB3 . . 3.740 2.028 1.969 2.353 . 0 0 "[ . 1 . 2]" 2 642 1 25 PHE QD 1 31 LEU MD2 . . 4.090 3.045 2.786 3.308 . 0 0 "[ . 1 . 2]" 2 643 1 57 PHE QD 1 62 THR HB . . 4.030 3.377 2.752 3.694 . 0 0 "[ . 1 . 2]" 2 644 1 48 PHE HB3 1 57 PHE QD . . 5.380 4.976 4.519 5.306 . 0 0 "[ . 1 . 2]" 2 645 1 48 PHE HB2 1 57 PHE QD . . 4.800 4.584 4.187 4.808 0.008 3 0 "[ . 1 . 2]" 2 646 1 57 PHE QD 1 63 MET HA . . 4.280 3.295 2.917 3.610 . 0 0 "[ . 1 . 2]" 2 647 1 57 PHE QD 1 63 MET HB2 . . 3.940 3.337 3.076 3.705 . 0 0 "[ . 1 . 2]" 2 648 1 56 THR MG 1 57 PHE QD . . 4.980 4.860 4.644 4.985 0.005 14 0 "[ . 1 . 2]" 2 649 1 48 PHE H 1 57 PHE QD . . 5.500 5.315 4.933 5.493 . 0 0 "[ . 1 . 2]" 2 650 1 56 THR HA 1 57 PHE QD . . 3.990 3.200 2.924 3.397 . 0 0 "[ . 1 . 2]" 2 651 1 56 THR HB 1 57 PHE QD . . 5.350 5.055 4.743 5.234 . 0 0 "[ . 1 . 2]" 2 652 1 27 GLN HB2 1 30 LEU MD2 . . 5.240 2.403 1.853 4.050 . 0 0 "[ . 1 . 2]" 2 653 1 27 GLN HB2 1 31 LEU H . . 5.500 5.251 4.874 5.565 0.065 20 0 "[ . 1 . 2]" 2 654 1 32 ASP H 1 33 MET QB . . 5.130 4.781 4.633 4.914 . 0 0 "[ . 1 . 2]" 2 655 1 33 MET HA 1 36 LYS HB2 . . 3.710 2.883 2.767 2.976 . 0 0 "[ . 1 . 2]" 2 656 1 36 LYS HB2 1 36 LYS QE . . 5.030 3.646 2.039 4.436 . 0 0 "[ . 1 . 2]" 2 657 1 36 LYS HB2 1 43 PHE HB2 . . 4.960 3.269 2.972 3.579 . 0 0 "[ . 1 . 2]" 2 658 1 27 GLN HB3 1 30 LEU H . . 4.320 3.464 2.673 3.816 . 0 0 "[ . 1 . 2]" 2 659 1 27 GLN HB3 1 29 GLN HB3 . . 4.530 3.142 2.763 3.573 . 0 0 "[ . 1 . 2]" 2 660 1 36 LYS HB3 1 43 PHE QD . . 4.940 3.093 2.492 3.295 . 0 0 "[ . 1 . 2]" 2 661 1 36 LYS HB3 1 36 LYS QE . . 4.680 2.923 1.994 3.999 . 0 0 "[ . 1 . 2]" 2 662 1 35 PHE QD 1 36 LYS QE . . 5.430 4.750 2.882 5.418 . 0 0 "[ . 1 . 2]" 2 663 1 35 PHE QD 1 40 ASP HB2 . . 5.500 3.756 3.136 4.316 . 0 0 "[ . 1 . 2]" 2 664 1 35 PHE QD 1 40 ASP HB3 . . 5.500 4.833 4.131 5.456 . 0 0 "[ . 1 . 2]" 2 665 1 35 PHE H 1 35 PHE QD . . 4.790 4.184 4.179 4.189 . 0 0 "[ . 1 . 2]" 2 666 1 35 PHE QD 1 36 LYS QD . . 5.030 4.186 3.322 5.035 0.005 9 0 "[ . 1 . 2]" 2 667 1 31 LEU MD1 1 35 PHE QD . . 4.590 3.947 3.704 4.142 . 0 0 "[ . 1 . 2]" 2 668 1 37 ARG HA 1 43 PHE QD . . 5.230 3.512 3.275 3.904 . 0 0 "[ . 1 . 2]" 2 669 1 36 LYS HB2 1 43 PHE QD . . 4.220 3.377 2.984 3.763 . 0 0 "[ . 1 . 2]" 2 670 1 36 LYS HB2 1 37 ARG HA . . 5.160 4.842 4.675 4.977 . 0 0 "[ . 1 . 2]" 2 671 1 14 LYS HB2 1 24 THR HB . . 4.390 2.014 1.980 2.103 . 0 0 "[ . 1 . 2]" 2 672 1 14 LYS HB2 1 14 LYS QE . . 4.910 3.880 2.438 4.050 . 0 0 "[ . 1 . 2]" 2 673 1 14 LYS HB2 1 15 PRO HD2 . . 4.720 4.587 4.264 4.717 . 0 0 "[ . 1 . 2]" 2 674 1 43 PHE HA 1 43 PHE QD . . 3.750 3.130 3.104 3.151 . 0 0 "[ . 1 . 2]" 2 675 1 48 PHE QD 1 58 THR HA . . 4.740 4.139 2.940 4.684 . 0 0 "[ . 1 . 2]" 2 676 1 48 PHE QD 1 57 PHE HB3 . . 5.500 5.205 4.860 5.448 . 0 0 "[ . 1 . 2]" 2 677 1 48 PHE QD 1 57 PHE HB2 . . 5.010 4.631 4.239 4.839 . 0 0 "[ . 1 . 2]" 2 678 1 48 PHE QD 1 63 MET HB2 . . 5.190 4.800 4.486 5.060 . 0 0 "[ . 1 . 2]" 2 679 1 46 ALA MB 1 48 PHE QD . . 4.960 2.685 2.305 2.903 . 0 0 "[ . 1 . 2]" 2 680 1 47 ALA MB 1 48 PHE QD . . 4.620 4.479 4.286 4.636 0.016 6 0 "[ . 1 . 2]" 2 681 1 14 LYS HB3 1 16 TYR H . . 5.500 3.427 3.122 3.681 . 0 0 "[ . 1 . 2]" 2 682 1 14 LYS HB3 1 14 LYS QE . . 4.820 4.036 3.327 4.371 . 0 0 "[ . 1 . 2]" 2 683 1 14 LYS HA 1 15 PRO HB3 . . 5.120 4.965 4.852 5.035 . 0 0 "[ . 1 . 2]" 2 684 1 35 PHE QE 1 39 HIS HB3 . . 4.980 3.561 3.312 3.994 . 0 0 "[ . 1 . 2]" 2 685 1 35 PHE QE 1 40 ASP HB2 . . 5.500 4.154 3.347 4.949 . 0 0 "[ . 1 . 2]" 2 686 1 33 MET H 1 33 MET HG2 . . 4.020 2.464 1.958 3.377 . 0 0 "[ . 1 . 2]" 2 687 1 53 CYS HA 1 73 PRO HB2 . . 4.930 4.535 4.219 4.868 . 0 0 "[ . 1 . 2]" 2 688 1 43 PHE QE 1 45 PRO HB3 . . 4.130 2.919 2.484 3.101 . 0 0 "[ . 1 . 2]" 2 689 1 44 VAL MG2 1 45 PRO HB3 . . 5.140 5.025 4.915 5.151 0.011 17 0 "[ . 1 . 2]" 2 690 1 45 PRO HB3 1 47 ALA MB . . 5.500 5.465 5.307 5.519 0.019 7 0 "[ . 1 . 2]" 2 691 1 15 PRO HB2 1 16 TYR QD . . 5.230 4.041 3.903 4.252 . 0 0 "[ . 1 . 2]" 2 692 1 43 PHE QE 1 45 PRO HB2 . . 4.760 4.489 4.093 4.621 . 0 0 "[ . 1 . 2]" 2 693 1 15 PRO HB3 1 16 TYR QD . . 5.170 4.917 4.836 5.097 . 0 0 "[ . 1 . 2]" 2 694 1 15 PRO HB3 1 16 TYR H . . 4.450 4.150 3.985 4.323 . 0 0 "[ . 1 . 2]" 2 695 1 36 LYS HB2 1 43 PHE QE . . 5.260 4.891 4.407 5.106 . 0 0 "[ . 1 . 2]" 2 696 1 62 THR HA 1 65 ARG QD . . 5.400 3.284 2.175 4.130 . 0 0 "[ . 1 . 2]" 2 697 1 61 ASN QB 1 62 THR HA . . 5.090 3.940 3.744 4.444 . 0 0 "[ . 1 . 2]" 2 698 1 62 THR HA 1 65 ARG QB . . 3.620 3.160 2.774 3.449 . 0 0 "[ . 1 . 2]" 2 699 1 62 THR HA 1 65 ARG QG . . 4.300 3.810 3.350 4.256 . 0 0 "[ . 1 . 2]" 2 700 1 62 THR HA 1 62 THR MG . . 3.270 2.344 2.196 2.485 . 0 0 "[ . 1 . 2]" 2 701 1 57 PHE QD 1 63 MET QG . . 3.520 2.409 2.140 2.705 . 0 0 "[ . 1 . 2]" 2 702 1 50 CYS HA 1 63 MET QG . . 4.660 3.138 2.625 3.483 . 0 0 "[ . 1 . 2]" 2 703 1 60 ARG HA 1 63 MET QG . . 4.810 4.617 4.221 4.817 0.007 6 0 "[ . 1 . 2]" 2 704 1 48 PHE HB2 1 63 MET QG . . 4.220 3.513 2.975 3.905 . 0 0 "[ . 1 . 2]" 2 705 1 62 THR MG 1 63 MET QG . . 5.500 4.994 4.758 5.258 . 0 0 "[ . 1 . 2]" 2 706 1 63 MET QG 1 64 ALA MB . . 5.500 5.050 4.802 5.190 . 0 0 "[ . 1 . 2]" 2 707 1 25 PHE QE 1 34 HIS HD2 . . 4.400 3.658 3.421 3.936 . 0 0 "[ . 1 . 2]" 2 708 1 24 THR HA 1 25 PHE QE . . 4.670 3.626 3.405 3.714 . 0 0 "[ . 1 . 2]" 2 709 1 18 CYS HB3 1 25 PHE QE . . 3.960 3.666 3.548 3.783 . 0 0 "[ . 1 . 2]" 2 710 1 25 PHE QE 1 30 LEU HB2 . . 5.270 5.116 4.620 5.285 0.015 15 0 "[ . 1 . 2]" 2 711 1 25 PHE QE 1 31 LEU HB3 . . 5.500 4.889 4.764 4.986 . 0 0 "[ . 1 . 2]" 2 712 1 18 CYS HA 1 25 PHE QE . . 5.300 4.280 4.072 4.460 . 0 0 "[ . 1 . 2]" 2 713 1 50 CYS HA 1 57 PHE QE . . 5.500 4.364 3.977 5.089 . 0 0 "[ . 1 . 2]" 2 714 1 63 MET QG 1 64 ALA HA . . 4.870 4.594 4.109 4.824 . 0 0 "[ . 1 . 2]" 2 715 1 57 PHE HB3 1 63 MET QG . . 4.580 3.734 3.217 4.151 . 0 0 "[ . 1 . 2]" 2 716 1 48 PHE HB3 1 63 MET QG . . 4.070 3.148 2.595 3.842 . 0 0 "[ . 1 . 2]" 2 717 1 63 MET QG 1 66 HIS HB3 . . 4.590 3.551 3.355 3.794 . 0 0 "[ . 1 . 2]" 2 718 1 57 PHE HB2 1 63 MET QG . . 4.230 2.581 1.987 3.015 . 0 0 "[ . 1 . 2]" 2 719 1 63 MET HA 1 63 MET QG . . 3.530 2.321 2.261 2.451 . 0 0 "[ . 1 . 2]" 2 720 1 14 LYS HG2 1 26 ARG HB2 . . 4.920 3.997 2.819 4.568 . 0 0 "[ . 1 . 2]" 2 721 1 63 MET HB3 1 64 ALA MB . . 5.500 3.877 3.761 3.997 . 0 0 "[ . 1 . 2]" 2 722 1 48 PHE HB3 1 63 MET HB3 . . 4.770 3.328 3.022 3.563 . 0 0 "[ . 1 . 2]" 2 723 1 48 PHE HB2 1 63 MET HB3 . . 4.830 3.762 3.374 4.181 . 0 0 "[ . 1 . 2]" 2 724 1 26 ARG HB3 1 26 ARG QD . . 3.860 2.452 2.074 3.456 . 0 0 "[ . 1 . 2]" 2 725 1 14 LYS HG2 1 26 ARG HB3 . . 4.920 3.458 2.076 4.690 . 0 0 "[ . 1 . 2]" 2 726 1 57 PHE QE 1 63 MET HB2 . . 5.210 4.668 4.323 5.162 . 0 0 "[ . 1 . 2]" 2 727 1 57 PHE H 1 57 PHE QE . . 5.260 4.995 4.822 5.209 . 0 0 "[ . 1 . 2]" 2 728 1 23 LYS HA 1 25 PHE QE . . 5.290 4.763 4.640 4.840 . 0 0 "[ . 1 . 2]" 2 729 1 55 LYS HA 1 57 PHE QE . . 5.500 4.575 4.219 4.928 . 0 0 "[ . 1 . 2]" 2 730 1 50 CYS HB3 1 57 PHE QE . . 3.950 3.688 3.219 3.958 0.008 3 0 "[ . 1 . 2]" 2 731 1 50 CYS HB2 1 57 PHE QE . . 3.640 2.220 1.996 2.990 . 0 0 "[ . 1 . 2]" 2 732 1 57 PHE QE 1 63 MET HA . . 4.600 3.521 3.052 3.819 . 0 0 "[ . 1 . 2]" 2 733 1 57 PHE QE 1 63 MET QG . . 4.300 3.121 2.832 3.374 . 0 0 "[ . 1 . 2]" 2 734 1 25 PHE QE 1 33 MET ME . . 5.500 4.479 3.079 5.342 . 0 0 "[ . 1 . 2]" 2 735 1 55 LYS HB2 1 57 PHE QE . . 4.020 2.468 2.001 3.517 . 0 0 "[ . 1 . 2]" 2 736 1 55 LYS HB3 1 57 PHE QE . . 3.810 2.465 1.996 2.905 . 0 0 "[ . 1 . 2]" 2 737 1 50 CYS HB3 1 57 PHE QD . . 5.250 4.993 4.649 5.134 . 0 0 "[ . 1 . 2]" 2 738 1 50 CYS HB3 1 66 HIS HD2 . . 4.450 4.204 3.977 4.392 . 0 0 "[ . 1 . 2]" 2 739 1 50 CYS HB3 1 54 GLY HA3 . . 5.060 4.391 4.262 4.646 . 0 0 "[ . 1 . 2]" 2 740 1 50 CYS HB3 1 55 LYS HB2 . . 4.690 3.385 3.103 4.021 . 0 0 "[ . 1 . 2]" 2 741 1 50 CYS HB2 1 57 PHE QD . . 4.560 3.551 3.302 4.131 . 0 0 "[ . 1 . 2]" 2 742 1 50 CYS HB2 1 57 PHE HZ . . 5.050 4.184 3.907 4.484 . 0 0 "[ . 1 . 2]" 2 743 1 50 CYS HB2 1 63 MET ME . . 5.020 4.719 4.481 4.963 . 0 0 "[ . 1 . 2]" 2 744 1 50 CYS HB2 1 55 LYS HB3 . . 4.840 3.870 2.979 4.385 . 0 0 "[ . 1 . 2]" 2 745 1 50 CYS HB3 1 53 CYS HA . . 5.330 5.170 4.949 5.253 . 0 0 "[ . 1 . 2]" 2 746 1 50 CYS HB3 1 63 MET QG . . 5.010 4.728 4.492 4.976 . 0 0 "[ . 1 . 2]" 2 747 1 50 CYS HB3 1 55 LYS HB3 . . 4.900 4.609 3.691 4.915 0.015 12 0 "[ . 1 . 2]" 2 748 1 50 CYS HB3 1 54 GLY HA2 . . 5.060 3.243 3.035 3.661 . 0 0 "[ . 1 . 2]" 2 749 1 50 CYS HB2 1 66 HIS HD2 . . 3.800 2.959 2.485 3.269 . 0 0 "[ . 1 . 2]" 2 750 1 50 CYS HB2 1 63 MET QG . . 4.570 3.322 3.001 3.651 . 0 0 "[ . 1 . 2]" 2 751 1 50 CYS HB2 1 55 LYS HB2 . . 4.790 3.027 2.576 4.162 . 0 0 "[ . 1 . 2]" 2 752 1 37 ARG HB2 1 38 TYR QE . . 5.160 5.057 4.907 5.169 0.009 19 0 "[ . 1 . 2]" 2 753 1 33 MET HA 1 37 ARG HB2 . . 4.940 4.434 4.315 4.648 . 0 0 "[ . 1 . 2]" 2 754 1 34 HIS HA 1 37 ARG HB2 . . 4.420 3.471 3.214 3.914 . 0 0 "[ . 1 . 2]" 2 755 1 20 HIS HB3 1 39 HIS HD2 . . 5.170 4.407 4.093 4.716 . 0 0 "[ . 1 . 2]" 2 756 1 37 ARG HB3 1 38 TYR H . . 4.120 2.201 2.119 2.317 . 0 0 "[ . 1 . 2]" 2 757 1 34 HIS HA 1 37 ARG HB3 . . 4.280 2.404 2.264 2.478 . 0 0 "[ . 1 . 2]" 2 758 1 37 ARG HB3 1 38 TYR QD . . 4.250 2.393 2.222 2.541 . 0 0 "[ . 1 . 2]" 2 759 1 33 MET HA 1 37 ARG HB3 . . 5.500 5.120 4.490 5.429 . 0 0 "[ . 1 . 2]" 2 760 1 37 ARG HB3 1 38 TYR HA . . 5.500 4.428 4.282 4.587 . 0 0 "[ . 1 . 2]" 2 761 1 43 PHE HZ 1 45 PRO HA . . 4.590 4.507 4.240 4.611 0.021 17 0 "[ . 1 . 2]" 2 762 1 53 CYS HA 1 73 PRO HA . . 4.560 3.095 2.529 3.699 . 0 0 "[ . 1 . 2]" 2 763 1 43 PHE HZ 1 45 PRO HB3 . . 5.180 4.809 3.899 5.100 . 0 0 "[ . 1 . 2]" 2 764 1 64 ALA H 1 65 ARG QB . . 5.140 4.924 4.652 5.063 . 0 0 "[ . 1 . 2]" 2 765 1 65 ARG QB 1 66 HIS HA . . 4.990 3.837 3.793 3.874 . 0 0 "[ . 1 . 2]" 2 766 1 65 ARG QB 1 66 HIS HB3 . . 5.150 4.483 4.415 4.576 . 0 0 "[ . 1 . 2]" 2 767 1 25 PHE HZ 1 34 HIS HB3 . . 4.560 3.190 3.069 3.333 . 0 0 "[ . 1 . 2]" 2 768 1 25 PHE HZ 1 31 LEU HA . . 5.130 3.683 3.523 3.790 . 0 0 "[ . 1 . 2]" 2 769 1 18 CYS HB2 1 25 PHE HZ . . 5.230 3.966 3.694 4.230 . 0 0 "[ . 1 . 2]" 2 770 1 23 LYS QG 1 25 PHE HZ . . 4.330 3.654 3.563 3.756 . 0 0 "[ . 1 . 2]" 2 771 1 23 LYS HB2 1 25 PHE HZ . . 4.310 3.131 2.994 3.197 . 0 0 "[ . 1 . 2]" 2 772 1 23 LYS HB3 1 25 PHE HZ . . 4.310 2.696 2.539 2.844 . 0 0 "[ . 1 . 2]" 2 773 1 25 PHE HZ 1 34 HIS H . . 5.500 5.321 5.185 5.493 . 0 0 "[ . 1 . 2]" 2 774 1 15 PRO HA 1 16 TYR QD . . 5.080 5.042 4.953 5.104 0.024 8 0 "[ . 1 . 2]" 2 775 1 35 PHE QD 1 39 HIS HD2 . . 3.700 2.504 2.223 2.793 . 0 0 "[ . 1 . 2]" 2 776 1 35 PHE HB2 1 39 HIS HD2 . . 4.660 3.053 2.847 3.271 . 0 0 "[ . 1 . 2]" 2 777 1 35 PHE HB3 1 39 HIS HD2 . . 4.720 4.040 3.914 4.190 . 0 0 "[ . 1 . 2]" 2 778 1 38 TYR HB3 1 39 HIS HD2 . . 5.500 5.484 5.376 5.512 0.012 9 0 "[ . 1 . 2]" 2 779 1 35 PHE QE 1 39 HIS HD2 . . 4.940 3.605 3.522 3.743 . 0 0 "[ . 1 . 2]" 2 780 1 20 HIS HB2 1 39 HIS HD2 . . 5.170 3.521 3.312 3.735 . 0 0 "[ . 1 . 2]" 2 781 1 25 PHE HZ 1 34 HIS HD2 . . 5.040 3.362 3.099 3.567 . 0 0 "[ . 1 . 2]" 2 782 1 35 PHE HA 1 39 HIS HB3 . . 4.860 4.629 4.476 4.872 0.012 17 0 "[ . 1 . 2]" 2 783 1 35 PHE HA 1 38 TYR HB3 . . 5.360 5.190 5.038 5.298 . 0 0 "[ . 1 . 2]" 2 784 1 35 PHE HA 1 35 PHE QD . . 3.700 3.165 3.142 3.187 . 0 0 "[ . 1 . 2]" 2 785 1 35 PHE HA 1 37 ARG H . . 4.220 3.673 3.631 3.760 . 0 0 "[ . 1 . 2]" 2 786 1 35 PHE HA 1 39 HIS HD2 . . 3.270 2.012 1.983 2.082 . 0 0 "[ . 1 . 2]" 2 787 1 21 CYS HB3 1 22 ASP H . . 3.690 3.616 3.543 3.666 . 0 0 "[ . 1 . 2]" 2 788 1 21 CYS H 1 21 CYS HB3 . . 3.660 3.067 2.972 3.218 . 0 0 "[ . 1 . 2]" 2 789 1 21 CYS HB2 1 39 HIS HE1 . . 4.820 4.201 3.863 4.511 . 0 0 "[ . 1 . 2]" 2 790 1 21 CYS HB2 1 22 ASP HA . . 5.070 4.672 4.604 4.730 . 0 0 "[ . 1 . 2]" 2 791 1 52 LYS QD 1 72 GLY H . . 5.200 4.341 2.710 5.120 . 0 0 "[ . 1 . 2]" 2 792 1 52 LYS QD 1 53 CYS H . . 5.300 4.649 4.288 4.976 . 0 0 "[ . 1 . 2]" 2 793 1 52 LYS QD 1 71 ALA HA . . 4.630 3.531 2.299 4.283 . 0 0 "[ . 1 . 2]" 2 794 1 52 LYS HA 1 52 LYS QD . . 4.130 3.960 3.660 4.143 0.013 2 0 "[ . 1 . 2]" 2 795 1 52 LYS H 1 52 LYS QD . . 4.430 4.071 3.578 4.457 0.027 9 0 "[ . 1 . 2]" 2 796 1 52 LYS QD 1 67 ALA HA . . 5.110 2.753 2.176 3.536 . 0 0 "[ . 1 . 2]" 2 797 1 48 PHE QE 1 60 ARG HB3 . . 5.030 4.144 3.805 4.899 . 0 0 "[ . 1 . 2]" 2 798 1 48 PHE HZ 1 60 ARG HB3 . . 5.500 4.439 3.991 5.509 0.009 6 0 "[ . 1 . 2]" 2 799 1 48 PHE QD 1 60 ARG HB3 . . 5.420 4.727 4.281 5.359 . 0 0 "[ . 1 . 2]" 2 800 1 57 PHE QE 1 66 HIS HD2 . . 4.670 2.982 2.624 3.418 . 0 0 "[ . 1 . 2]" 2 801 1 57 PHE HZ 1 66 HIS HD2 . . 4.740 2.958 2.668 3.242 . 0 0 "[ . 1 . 2]" 2 802 1 44 VAL H 1 45 PRO HA . . 5.060 4.720 4.474 4.869 . 0 0 "[ . 1 . 2]" 2 803 1 43 PHE QE 1 45 PRO HA . . 3.610 2.886 2.719 3.106 . 0 0 "[ . 1 . 2]" 2 804 1 45 PRO HA 1 46 ALA MB . . 4.150 3.946 3.919 4.002 . 0 0 "[ . 1 . 2]" 2 805 1 44 VAL MG1 1 45 PRO HA . . 5.290 4.574 4.510 4.696 . 0 0 "[ . 1 . 2]" 2 806 1 44 VAL MG2 1 45 PRO HA . . 5.470 4.205 4.051 4.344 . 0 0 "[ . 1 . 2]" 2 807 1 18 CYS HB3 1 34 HIS HD2 . . 5.060 4.656 4.516 4.983 . 0 0 "[ . 1 . 2]" 2 808 1 18 CYS HB3 1 25 PHE QD . . 5.500 5.503 5.468 5.519 0.019 19 0 "[ . 1 . 2]" 2 809 1 18 CYS HB3 1 31 LEU MD1 . . 3.920 3.402 3.215 3.603 . 0 0 "[ . 1 . 2]" 2 810 1 18 CYS HB2 1 25 PHE QD . . 4.740 4.085 3.984 4.287 . 0 0 "[ . 1 . 2]" 2 811 1 18 CYS HB2 1 24 THR HA . . 5.130 4.658 4.398 4.877 . 0 0 "[ . 1 . 2]" 2 812 1 18 CYS HB2 1 21 CYS H . . 4.430 4.305 4.017 4.408 . 0 0 "[ . 1 . 2]" 2 813 1 18 CYS HB2 1 34 HIS HD2 . . 4.170 3.561 3.289 3.802 . 0 0 "[ . 1 . 2]" 2 814 1 18 CYS HB2 1 25 PHE QE . . 3.900 2.220 2.019 2.384 . 0 0 "[ . 1 . 2]" 2 815 1 17 ALA MB 1 18 CYS HB2 . . 5.240 5.112 5.001 5.202 . 0 0 "[ . 1 . 2]" 2 816 1 66 HIS HD2 1 70 CYS HB3 . . 5.050 4.594 4.236 4.974 . 0 0 "[ . 1 . 2]" 2 817 1 52 LYS QD 1 70 CYS HB3 . . 3.970 1.998 1.931 2.103 . 0 0 "[ . 1 . 2]" 2 818 1 35 PHE QD 1 39 HIS HB2 . . 4.650 3.068 2.861 3.395 . 0 0 "[ . 1 . 2]" 2 819 1 35 PHE QE 1 39 HIS HB2 . . 4.980 3.385 3.220 3.640 . 0 0 "[ . 1 . 2]" 2 820 1 35 PHE HA 1 39 HIS HB2 . . 4.860 3.060 2.853 3.366 . 0 0 "[ . 1 . 2]" 2 821 1 66 HIS HD2 1 70 CYS HB2 . . 4.590 3.693 3.274 4.226 . 0 0 "[ . 1 . 2]" 2 822 1 52 LYS QD 1 70 CYS HB2 . . 4.240 3.577 3.419 3.750 . 0 0 "[ . 1 . 2]" 2 823 1 67 ALA MB 1 70 CYS HB2 . . 4.520 4.193 3.914 4.481 . 0 0 "[ . 1 . 2]" 2 824 1 36 LYS QD 1 43 PHE H . . 5.330 4.555 3.805 5.361 0.031 17 0 "[ . 1 . 2]" 2 825 1 52 LYS QD 1 70 CYS H . . 4.560 3.692 3.512 3.885 . 0 0 "[ . 1 . 2]" 2 826 1 36 LYS H 1 36 LYS QD . . 4.650 4.180 3.993 4.515 . 0 0 "[ . 1 . 2]" 2 827 1 36 LYS HA 1 36 LYS QD . . 4.180 3.009 1.977 4.084 . 0 0 "[ . 1 . 2]" 2 828 1 36 LYS HB2 1 36 LYS QD . . 3.680 3.036 2.450 3.487 . 0 0 "[ . 1 . 2]" 2 829 1 55 LYS H 1 55 LYS HD2 . . 5.140 4.242 3.779 5.089 . 0 0 "[ . 1 . 2]" 2 830 1 55 LYS HD2 1 66 HIS HE1 . . 4.610 3.508 2.962 4.562 . 0 0 "[ . 1 . 2]" 2 831 1 55 LYS HD2 1 57 PHE HZ . . 4.650 3.975 3.288 4.648 . 0 0 "[ . 1 . 2]" 2 832 1 35 PHE QD 1 39 HIS HB3 . . 4.650 4.188 3.983 4.522 . 0 0 "[ . 1 . 2]" 2 833 1 55 LYS H 1 55 LYS HD3 . . 5.140 4.858 4.290 5.128 . 0 0 "[ . 1 . 2]" 2 834 1 55 LYS HA 1 55 LYS HD3 . . 4.920 4.484 4.301 4.579 . 0 0 "[ . 1 . 2]" 2 835 1 57 PHE HZ 1 66 HIS HA . . 5.500 5.275 5.004 5.501 0.001 18 0 "[ . 1 . 2]" 2 836 1 57 PHE HZ 1 66 HIS HB2 . . 4.380 3.413 3.044 3.679 . 0 0 "[ . 1 . 2]" 2 837 1 57 PHE HZ 1 63 MET HA . . 5.220 4.226 3.869 4.613 . 0 0 "[ . 1 . 2]" 2 838 1 55 LYS HB2 1 57 PHE HZ . . 4.630 3.739 3.370 4.385 . 0 0 "[ . 1 . 2]" 2 839 1 55 LYS HD3 1 57 PHE HZ . . 4.650 3.300 2.896 3.819 . 0 0 "[ . 1 . 2]" 2 840 1 55 LYS HB3 1 57 PHE HZ . . 4.530 3.614 3.180 3.992 . 0 0 "[ . 1 . 2]" 2 841 1 52 LYS QE 1 70 CYS HB3 . . 4.810 3.595 3.134 3.909 . 0 0 "[ . 1 . 2]" 2 842 1 76 VAL HA 1 76 VAL MG1 . . 3.620 2.816 2.241 3.204 . 0 0 "[ . 1 . 2]" 2 843 1 33 MET HA 1 34 HIS HB3 . . 5.500 5.545 5.535 5.557 0.057 8 0 "[ . 1 . 2]" 2 844 1 34 HIS HD2 1 35 PHE H . . 4.400 2.889 2.583 3.130 . 0 0 "[ . 1 . 2]" 2 845 1 31 LEU HA 1 34 HIS HD2 . . 4.700 3.746 3.546 4.035 . 0 0 "[ . 1 . 2]" 2 846 1 34 HIS HD2 1 35 PHE HB3 . . 5.160 4.403 4.192 4.636 . 0 0 "[ . 1 . 2]" 2 847 1 34 HIS HD2 1 39 HIS HD2 . . 4.250 3.745 3.578 4.018 . 0 0 "[ . 1 . 2]" 2 848 1 18 CYS HA 1 34 HIS HD2 . . 5.500 5.194 5.021 5.325 . 0 0 "[ . 1 . 2]" 2 849 1 34 HIS HA 1 34 HIS HD2 . . 5.130 4.565 4.471 4.653 . 0 0 "[ . 1 . 2]" 2 850 1 34 HIS HD2 1 35 PHE HA . . 4.150 3.064 2.796 3.353 . 0 0 "[ . 1 . 2]" 2 851 1 25 PHE QE 1 34 HIS HB3 . . 4.580 3.328 3.015 3.494 . 0 0 "[ . 1 . 2]" 2 852 1 33 MET QB 1 34 HIS HB3 . . 5.500 5.404 5.305 5.463 . 0 0 "[ . 1 . 2]" 2 853 1 33 MET ME 1 34 HIS HB3 . . 5.500 4.720 3.470 5.500 0.000 9 0 "[ . 1 . 2]" 2 854 1 34 HIS HB3 1 35 PHE H . . 4.020 2.773 2.640 2.908 . 0 0 "[ . 1 . 2]" 2 855 1 25 PHE QE 1 34 HIS HB2 . . 4.250 2.476 2.118 2.652 . 0 0 "[ . 1 . 2]" 2 856 1 25 PHE HZ 1 34 HIS HB2 . . 4.340 3.031 2.851 3.328 . 0 0 "[ . 1 . 2]" 2 857 1 31 LEU MD1 1 34 HIS HB2 . . 4.640 4.560 4.362 4.648 0.008 11 0 "[ . 1 . 2]" 2 858 1 23 LYS H 1 23 LYS HD2 . . 5.260 5.220 4.840 5.298 0.038 11 0 "[ . 1 . 2]" 2 859 1 23 LYS HD2 1 34 HIS HE1 . . 5.100 3.827 3.283 4.750 . 0 0 "[ . 1 . 2]" 2 860 1 23 LYS HA 1 23 LYS HD2 . . 4.340 3.579 2.578 4.196 . 0 0 "[ . 1 . 2]" 2 861 1 23 LYS H 1 23 LYS HD3 . . 5.260 4.870 4.682 5.294 0.034 6 0 "[ . 1 . 2]" 2 862 1 23 LYS HD3 1 34 HIS HE1 . . 5.100 4.690 3.734 5.097 . 0 0 "[ . 1 . 2]" 2 863 1 66 HIS HE1 1 70 CYS HA . . 4.640 4.014 3.317 4.591 . 0 0 "[ . 1 . 2]" 2 864 1 57 PHE QD 1 66 HIS HB3 . . 5.460 4.504 4.300 4.698 . 0 0 "[ . 1 . 2]" 2 865 1 63 MET H 1 66 HIS HB3 . . 5.500 4.884 4.644 5.079 . 0 0 "[ . 1 . 2]" 2 866 1 57 PHE HZ 1 66 HIS HB3 . . 4.750 3.504 3.117 3.931 . 0 0 "[ . 1 . 2]" 2 867 1 64 ALA HA 1 66 HIS HB3 . . 5.500 5.256 5.148 5.366 . 0 0 "[ . 1 . 2]" 2 868 1 66 HIS HB3 1 67 ALA HA . . 5.500 4.568 4.507 4.655 . 0 0 "[ . 1 . 2]" 2 869 1 63 MET HB2 1 66 HIS HB3 . . 5.500 4.877 4.584 5.154 . 0 0 "[ . 1 . 2]" 2 870 1 66 HIS HB3 1 67 ALA MB . . 5.500 4.265 4.157 4.373 . 0 0 "[ . 1 . 2]" 2 871 1 66 HIS HB3 1 70 CYS HB2 . . 5.300 4.940 4.623 5.222 . 0 0 "[ . 1 . 2]" 2 872 1 66 HIS HB2 1 70 CYS HB2 . . 5.500 5.201 4.955 5.397 . 0 0 "[ . 1 . 2]" 2 873 1 57 PHE QD 1 66 HIS HB2 . . 5.230 4.643 4.263 4.944 . 0 0 "[ . 1 . 2]" 2 874 1 57 PHE QE 1 66 HIS HB2 . . 4.560 2.943 2.589 3.306 . 0 0 "[ . 1 . 2]" 2 875 1 63 MET HA 1 66 HIS HB2 . . 4.120 3.594 3.384 3.839 . 0 0 "[ . 1 . 2]" 2 876 1 66 HIS HB2 1 67 ALA MB . . 5.500 5.496 5.420 5.541 0.041 16 0 "[ . 1 . 2]" 2 877 1 65 ARG QB 1 66 HIS HB2 . . 5.130 4.425 4.376 4.521 . 0 0 "[ . 1 . 2]" 2 878 1 51 SER HA 1 54 GLY H . . 4.810 4.647 4.404 4.791 . 0 0 "[ . 1 . 2]" 2 879 1 51 SER HA 1 51 SER QB . . 2.800 2.351 2.179 2.491 . 0 0 "[ . 1 . 2]" 2 880 1 29 GLN HB2 1 32 ASP HB3 . . 5.330 5.069 4.814 5.287 . 0 0 "[ . 1 . 2]" 2 881 1 29 GLN HB3 1 32 ASP HB3 . . 5.500 5.421 5.299 5.507 0.007 18 0 "[ . 1 . 2]" 2 882 1 25 PHE QD 1 30 LEU HG . . 5.140 3.719 3.318 4.950 . 0 0 "[ . 1 . 2]" 2 883 1 27 GLN HB2 1 30 LEU HG . . 4.680 4.087 2.128 4.789 0.109 15 0 "[ . 1 . 2]" 2 884 1 53 CYS HA 1 73 PRO QG . . 4.210 3.682 3.310 3.954 . 0 0 "[ . 1 . 2]" 2 885 1 82 GLY HA2 1 83 PRO QG . . 5.500 4.161 3.800 5.223 . 0 0 "[ . 1 . 2]" 2 886 1 82 GLY HA3 1 83 PRO QG . . 5.500 4.490 3.771 5.208 . 0 0 "[ . 1 . 2]" 2 887 1 59 ARG H 1 59 ARG HG2 . . 4.720 4.024 1.943 4.642 . 0 0 "[ . 1 . 2]" 2 888 1 25 PHE HB3 1 30 LEU HG . . 4.420 3.619 2.964 4.418 . 0 0 "[ . 1 . 2]" 2 889 1 48 PHE QD 1 60 ARG HG2 . . 5.230 3.356 2.237 5.151 . 0 0 "[ . 1 . 2]" 2 890 1 43 PHE QE 1 45 PRO HG3 . . 4.560 4.249 3.290 4.569 0.009 15 0 "[ . 1 . 2]" 2 891 1 44 VAL HA 1 45 PRO HG3 . . 4.360 4.323 4.316 4.349 . 0 0 "[ . 1 . 2]" 2 892 1 44 VAL MG2 1 45 PRO HG3 . . 4.730 4.548 4.350 4.790 0.060 17 0 "[ . 1 . 2]" 2 893 1 43 PHE QE 1 45 PRO HG2 . . 5.500 5.080 4.322 5.304 . 0 0 "[ . 1 . 2]" 2 894 1 44 VAL HA 1 45 PRO HG2 . . 4.380 4.165 4.126 4.188 . 0 0 "[ . 1 . 2]" 2 895 1 65 ARG HA 1 65 ARG QG . . 3.490 2.388 2.263 2.483 . 0 0 "[ . 1 . 2]" 2 896 1 61 ASN QB 1 65 ARG QG . . 4.880 4.071 3.296 4.883 0.003 18 0 "[ . 1 . 2]" 2 897 1 64 ALA MB 1 65 ARG QG . . 4.150 3.185 2.976 3.450 . 0 0 "[ . 1 . 2]" 2 898 1 48 PHE QE 1 60 ARG HG2 . . 4.970 3.447 2.177 4.918 . 0 0 "[ . 1 . 2]" 2 899 1 60 ARG HA 1 60 ARG HG2 . . 4.120 2.643 2.205 3.592 . 0 0 "[ . 1 . 2]" 2 900 1 48 PHE QE 1 60 ARG HG3 . . 4.970 2.743 2.020 4.268 . 0 0 "[ . 1 . 2]" 2 901 1 48 PHE QD 1 60 ARG HG3 . . 5.230 3.347 2.174 4.613 . 0 0 "[ . 1 . 2]" 2 902 1 14 LYS HA 1 15 PRO HG2 . . 4.730 4.137 4.115 4.229 . 0 0 "[ . 1 . 2]" 2 903 1 15 PRO HG2 1 26 ARG HA . . 5.110 4.120 3.802 4.508 . 0 0 "[ . 1 . 2]" 2 904 1 14 LYS HA 1 15 PRO HG3 . . 4.730 4.371 4.317 4.421 . 0 0 "[ . 1 . 2]" 2 905 1 15 PRO HG3 1 26 ARG HA . . 5.110 4.670 4.358 5.112 0.002 14 0 "[ . 1 . 2]" 2 906 1 61 ASN HA 1 65 ARG QG . . 4.970 3.951 3.285 4.445 . 0 0 "[ . 1 . 2]" 2 907 1 38 TYR HA 1 40 ASP H . . 4.800 3.799 3.702 4.031 . 0 0 "[ . 1 . 2]" 2 908 1 33 MET QB 1 34 HIS HA . . 5.500 4.413 4.317 4.500 . 0 0 "[ . 1 . 2]" 2 909 1 34 HIS HA 1 38 TYR HB2 . . 5.500 4.663 4.174 4.856 . 0 0 "[ . 1 . 2]" 2 910 1 23 LYS QG 1 24 THR H . . 4.240 4.216 4.160 4.275 0.035 10 0 "[ . 1 . 2]" 2 911 1 23 LYS QG 1 25 PHE QE . . 4.330 4.280 4.198 4.344 0.014 10 0 "[ . 1 . 2]" 2 912 1 55 LYS HA 1 55 LYS HG2 . . 3.900 2.641 2.370 2.989 . 0 0 "[ . 1 . 2]" 2 913 1 18 CYS HB3 1 23 LYS QG . . 4.930 4.355 4.255 4.465 . 0 0 "[ . 1 . 2]" 2 914 1 25 PHE QD 1 30 LEU MD1 . . 4.480 3.654 3.008 4.553 0.073 13 0 "[ . 1 . 2]" 2 915 1 30 LEU MD1 1 31 LEU H . . 4.650 4.398 3.978 4.629 . 0 0 "[ . 1 . 2]" 2 916 1 30 LEU HA 1 30 LEU MD1 . . 4.010 2.328 1.896 3.957 . 0 0 "[ . 1 . 2]" 2 917 1 25 PHE HB3 1 30 LEU MD1 . . 4.750 3.931 2.263 4.403 . 0 0 "[ . 1 . 2]" 2 918 1 27 GLN HB2 1 30 LEU MD1 . . 5.240 3.725 1.932 4.719 . 0 0 "[ . 1 . 2]" 2 919 1 30 LEU HB3 1 30 LEU MD1 . . 3.380 2.568 2.351 3.191 . 0 0 "[ . 1 . 2]" 2 920 1 25 PHE QD 1 28 LYS HA . . 5.500 5.480 5.392 5.526 0.026 15 0 "[ . 1 . 2]" 2 921 1 28 LYS HA 1 32 ASP H . . 4.470 4.209 4.049 4.371 . 0 0 "[ . 1 . 2]" 2 922 1 16 TYR QD 1 28 LYS HA . . 4.080 2.942 2.811 3.160 . 0 0 "[ . 1 . 2]" 2 923 1 16 TYR QE 1 28 LYS HA . . 4.160 3.685 3.476 4.071 . 0 0 "[ . 1 . 2]" 2 924 1 28 LYS HA 1 31 LEU HB3 . . 3.720 2.691 2.491 2.843 . 0 0 "[ . 1 . 2]" 2 925 1 28 LYS HA 1 31 LEU HG . . 5.340 4.670 4.331 4.843 . 0 0 "[ . 1 . 2]" 2 926 1 28 LYS HA 1 31 LEU MD2 . . 4.150 3.479 2.962 3.828 . 0 0 "[ . 1 . 2]" 2 927 1 48 PHE QE 1 60 ARG HA . . 4.860 4.080 3.588 4.458 . 0 0 "[ . 1 . 2]" 2 928 1 48 PHE QD 1 60 ARG HA . . 4.450 3.290 2.989 3.807 . 0 0 "[ . 1 . 2]" 2 929 1 48 PHE HB3 1 60 ARG HA . . 4.340 3.295 2.936 3.975 . 0 0 "[ . 1 . 2]" 2 930 1 60 ARG HA 1 60 ARG QD . . 4.670 3.488 2.615 4.177 . 0 0 "[ . 1 . 2]" 2 931 1 48 PHE HB2 1 60 ARG HA . . 4.630 3.243 2.762 4.229 . 0 0 "[ . 1 . 2]" 2 932 1 60 ARG HA 1 63 MET HB3 . . 3.990 2.991 2.611 3.306 . 0 0 "[ . 1 . 2]" 2 933 1 60 ARG HA 1 63 MET HB2 . . 4.370 3.538 2.954 3.952 . 0 0 "[ . 1 . 2]" 2 934 1 60 ARG HA 1 60 ARG HG3 . . 4.120 3.190 2.502 3.605 . 0 0 "[ . 1 . 2]" 2 935 1 60 ARG HA 1 64 ALA MB . . 4.730 4.511 4.105 4.705 . 0 0 "[ . 1 . 2]" 2 936 1 22 ASP H 1 23 LYS QG . . 5.060 3.576 3.447 3.680 . 0 0 "[ . 1 . 2]" 2 937 1 55 LYS HG2 1 56 THR H . . 4.510 3.213 1.900 3.741 . 0 0 "[ . 1 . 2]" 2 938 1 22 ASP HB3 1 23 LYS QG . . 4.890 4.418 4.307 4.878 . 0 0 "[ . 1 . 2]" 2 939 1 43 PHE QD 1 44 VAL HA . . 4.910 2.863 2.624 3.047 . 0 0 "[ . 1 . 2]" 2 940 1 44 VAL HA 1 45 PRO QD . . 2.810 1.869 1.851 1.881 . 0 0 "[ . 1 . 2]" 2 941 1 29 GLN HA 1 31 LEU H . . 5.500 4.727 4.524 4.907 . 0 0 "[ . 1 . 2]" 2 942 1 29 GLN HA 1 32 ASP H . . 3.940 3.476 3.336 3.588 . 0 0 "[ . 1 . 2]" 2 943 1 29 GLN HA 1 32 ASP HB3 . . 3.440 2.711 2.558 2.824 . 0 0 "[ . 1 . 2]" 2 944 1 63 MET HA 1 66 HIS HA . . 5.500 5.214 5.009 5.436 . 0 0 "[ . 1 . 2]" 2 945 1 62 THR MG 1 63 MET HA . . 4.900 3.521 3.210 3.801 . 0 0 "[ . 1 . 2]" 2 946 1 63 MET HA 1 66 HIS HB3 . . 3.940 2.395 2.204 2.644 . 0 0 "[ . 1 . 2]" 2 947 1 57 PHE HB2 1 63 MET HA . . 4.600 4.003 3.657 4.409 . 0 0 "[ . 1 . 2]" 2 948 1 52 LYS HA 1 52 LYS HG2 . . 3.980 2.463 2.209 2.695 . 0 0 "[ . 1 . 2]" 2 949 1 52 LYS HA 1 52 LYS HG3 . . 3.980 3.097 2.675 3.419 . 0 0 "[ . 1 . 2]" 2 950 1 53 CYS HA 1 73 PRO HB3 . . 4.930 3.039 2.621 3.431 . 0 0 "[ . 1 . 2]" 2 951 1 43 PHE HA 1 44 VAL MG1 . . 4.640 3.542 3.335 3.731 . 0 0 "[ . 1 . 2]" 2 952 1 37 ARG HA 1 43 PHE HA . . 5.500 4.687 4.510 4.978 . 0 0 "[ . 1 . 2]" 2 953 1 52 LYS HA 1 73 PRO QD . . 5.500 4.533 4.347 5.030 . 0 0 "[ . 1 . 2]" 2 954 1 35 PHE QD 1 36 LYS HG2 . . 4.920 3.102 2.707 4.187 . 0 0 "[ . 1 . 2]" 2 955 1 36 LYS HG2 1 43 PHE QD . . 5.500 5.250 4.277 5.502 0.002 7 0 "[ . 1 . 2]" 2 956 1 35 PHE QD 1 36 LYS HG3 . . 4.920 4.051 2.863 4.798 . 0 0 "[ . 1 . 2]" 2 957 1 36 LYS HG3 1 43 PHE QD . . 5.500 4.512 3.441 5.517 0.017 15 0 "[ . 1 . 2]" 2 958 1 36 LYS HA 1 36 LYS HG3 . . 4.070 3.382 2.462 3.679 . 0 0 "[ . 1 . 2]" 2 959 1 35 PHE QD 1 36 LYS HA . . 3.820 2.597 2.478 2.720 . 0 0 "[ . 1 . 2]" 2 960 1 36 LYS HA 1 36 LYS HG2 . . 4.070 2.491 2.189 2.700 . 0 0 "[ . 1 . 2]" 2 961 1 36 LYS HA 1 36 LYS QE . . 4.080 3.700 2.048 4.134 0.054 17 0 "[ . 1 . 2]" 2 962 1 36 LYS HA 1 40 ASP HB2 . . 4.220 2.306 1.991 3.145 . 0 0 "[ . 1 . 2]" 2 963 1 36 LYS HA 1 40 ASP HB3 . . 4.220 2.874 1.998 3.596 . 0 0 "[ . 1 . 2]" 2 964 1 55 LYS HA 1 55 LYS HG3 . . 3.900 2.549 2.267 2.811 . 0 0 "[ . 1 . 2]" 2 965 1 32 ASP HA 1 33 MET QB . . 5.490 5.442 5.377 5.498 0.008 18 0 "[ . 1 . 2]" 2 966 1 55 LYS HA 1 56 THR MG . . 4.130 3.851 3.637 4.081 . 0 0 "[ . 1 . 2]" 2 967 1 14 LYS HA 1 14 LYS HG3 . . 4.040 2.648 2.220 2.830 . 0 0 "[ . 1 . 2]" 2 968 1 14 LYS HA 1 14 LYS HG2 . . 4.070 2.896 2.704 3.485 . 0 0 "[ . 1 . 2]" 2 969 1 14 LYS HG2 1 26 ARG HA . . 4.420 2.829 2.305 3.097 . 0 0 "[ . 1 . 2]" 2 970 1 15 PRO HD3 1 26 ARG HA . . 4.480 3.731 3.387 4.252 . 0 0 "[ . 1 . 2]" 2 971 1 32 ASP HA 1 35 PHE HB2 . . 4.400 4.228 4.083 4.403 0.003 20 0 "[ . 1 . 2]" 2 972 1 32 ASP HA 1 35 PHE HB3 . . 3.940 3.777 3.648 3.905 . 0 0 "[ . 1 . 2]" 2 973 1 31 LEU HB3 1 32 ASP HA . . 5.230 4.613 4.537 4.716 . 0 0 "[ . 1 . 2]" 2 974 1 31 LEU HG 1 32 ASP HA . . 4.220 3.568 3.352 3.725 . 0 0 "[ . 1 . 2]" 2 975 1 31 LEU MD1 1 32 ASP HA . . 4.930 4.243 4.093 4.414 . 0 0 "[ . 1 . 2]" 2 976 1 37 ARG HA 1 37 ARG QD . . 4.170 3.993 3.734 4.197 0.027 9 0 "[ . 1 . 2]" 2 977 1 36 LYS HB3 1 37 ARG HA . . 5.000 4.404 4.318 4.553 . 0 0 "[ . 1 . 2]" 2 978 1 37 ARG HA 1 37 ARG HG2 . . 3.970 3.217 2.761 3.687 . 0 0 "[ . 1 . 2]" 2 979 1 37 ARG HA 1 37 ARG HG3 . . 3.970 2.672 2.471 2.925 . 0 0 "[ . 1 . 2]" 2 980 1 37 ARG HA 1 38 TYR QD . . 5.130 4.699 4.553 4.826 . 0 0 "[ . 1 . 2]" 2 981 1 31 LEU HA 1 35 PHE H . . 4.630 4.173 4.015 4.303 . 0 0 "[ . 1 . 2]" 2 982 1 25 PHE QD 1 31 LEU HA . . 4.010 3.242 3.156 3.343 . 0 0 "[ . 1 . 2]" 2 983 1 25 PHE QE 1 31 LEU HA . . 4.130 3.180 3.087 3.292 . 0 0 "[ . 1 . 2]" 2 984 1 25 PHE HB2 1 31 LEU HA . . 4.570 3.893 3.708 4.008 . 0 0 "[ . 1 . 2]" 2 985 1 31 LEU HA 1 31 LEU HG . . 4.040 3.384 3.355 3.441 . 0 0 "[ . 1 . 2]" 2 986 1 31 LEU HA 1 31 LEU MD2 . . 4.170 3.918 3.855 3.985 . 0 0 "[ . 1 . 2]" 2 987 1 23 LYS HA 1 23 LYS QG . . 3.260 2.538 2.471 2.590 . 0 0 "[ . 1 . 2]" 2 988 1 23 LYS HA 1 23 LYS HD3 . . 4.340 2.780 2.389 3.482 . 0 0 "[ . 1 . 2]" 2 989 1 76 VAL MG1 1 77 GLU HA . . 5.500 4.228 3.389 5.478 . 0 0 "[ . 1 . 2]" 2 990 1 76 VAL MG2 1 77 GLU HA . . 5.500 4.232 3.140 5.534 0.034 5 0 "[ . 1 . 2]" 2 991 1 13 GLU HA 1 14 LYS HB2 . . 5.110 4.591 4.418 4.927 . 0 0 "[ . 1 . 2]" 2 992 1 13 GLU HA 1 14 LYS HG3 . . 5.020 4.154 3.513 5.057 0.037 14 0 "[ . 1 . 2]" 2 993 1 30 LEU HA 1 33 MET HG2 . . 4.820 2.290 1.993 2.947 . 0 0 "[ . 1 . 2]" 2 994 1 30 LEU HA 1 30 LEU HG . . 3.820 3.350 2.471 3.755 . 0 0 "[ . 1 . 2]" 2 995 1 57 PHE QD 1 62 THR MG . . 3.440 2.368 1.989 2.796 . 0 0 "[ . 1 . 2]" 2 996 1 57 PHE QE 1 62 THR MG . . 3.810 3.070 2.522 3.386 . 0 0 "[ . 1 . 2]" 2 997 1 57 PHE HB3 1 62 THR MG . . 4.330 3.751 3.357 4.004 . 0 0 "[ . 1 . 2]" 2 998 1 62 THR MG 1 66 HIS HB2 . . 5.030 3.777 3.389 4.075 . 0 0 "[ . 1 . 2]" 2 999 1 57 PHE HB2 1 62 THR MG . . 5.290 5.008 4.688 5.276 . 0 0 "[ . 1 . 2]" 2 1000 1 62 THR MG 1 65 ARG QB . . 4.300 3.987 3.622 4.257 . 0 0 "[ . 1 . 2]" 2 1001 1 13 GLU HA 1 15 PRO HD3 . . 5.490 5.174 4.672 5.543 0.053 14 0 "[ . 1 . 2]" 2 1002 1 13 GLU HA 1 13 GLU QG . . 3.840 2.688 2.122 3.513 . 0 0 "[ . 1 . 2]" 2 1003 1 30 LEU HA 1 34 HIS H . . 5.020 3.979 3.729 4.191 . 0 0 "[ . 1 . 2]" 2 1004 1 30 LEU HA 1 33 MET H . . 4.270 3.562 3.518 3.601 . 0 0 "[ . 1 . 2]" 2 1005 1 30 LEU HA 1 33 MET HG3 . . 4.820 2.956 2.276 3.429 . 0 0 "[ . 1 . 2]" 2 1006 1 29 GLN QG 1 30 LEU HA . . 5.090 3.667 3.237 4.741 . 0 0 "[ . 1 . 2]" 2 1007 1 30 LEU HA 1 33 MET ME . . 3.420 2.938 2.088 3.420 . 0 0 "[ . 1 . 2]" 2 1008 1 25 PHE HB3 1 30 LEU HA . . 5.110 4.767 4.593 4.986 . 0 0 "[ . 1 . 2]" 2 1009 1 62 THR MG 1 66 HIS H . . 5.500 4.125 3.641 4.467 . 0 0 "[ . 1 . 2]" 2 1010 1 62 THR MG 1 66 HIS HB3 . . 5.200 4.183 3.806 4.515 . 0 0 "[ . 1 . 2]" 2 1011 1 57 PHE HZ 1 62 THR MG . . 5.310 5.043 4.720 5.287 . 0 0 "[ . 1 . 2]" 2 1012 1 25 PHE H 1 31 LEU MD1 . . 4.850 4.803 4.449 4.863 0.013 11 0 "[ . 1 . 2]" 2 1013 1 18 CYS H 1 31 LEU MD1 . . 3.790 2.765 2.432 3.153 . 0 0 "[ . 1 . 2]" 2 1014 1 31 LEU MD1 1 34 HIS HD2 . . 3.400 2.600 2.282 2.806 . 0 0 "[ . 1 . 2]" 2 1015 1 25 PHE QD 1 31 LEU MD1 . . 3.330 2.680 2.478 2.878 . 0 0 "[ . 1 . 2]" 2 1016 1 25 PHE QE 1 31 LEU MD1 . . 3.380 2.027 1.943 2.284 . 0 0 "[ . 1 . 2]" 2 1017 1 18 CYS HA 1 31 LEU MD1 . . 3.240 2.081 1.963 2.315 . 0 0 "[ . 1 . 2]" 2 1018 1 31 LEU MD1 1 34 HIS HB3 . . 3.610 3.279 3.008 3.440 . 0 0 "[ . 1 . 2]" 2 1019 1 31 LEU HA 1 31 LEU MD1 . . 3.190 2.205 1.940 2.427 . 0 0 "[ . 1 . 2]" 2 1020 1 18 CYS HB2 1 31 LEU MD1 . . 3.460 2.065 1.874 2.311 . 0 0 "[ . 1 . 2]" 2 1021 1 16 TYR QD 1 31 LEU MD1 . . 5.500 5.303 5.028 5.555 0.055 19 0 "[ . 1 . 2]" 2 1022 1 25 PHE HZ 1 31 LEU MD1 . . 4.830 3.516 3.163 3.736 . 0 0 "[ . 1 . 2]" 2 1023 1 58 THR HA 1 58 THR MG . . 3.250 2.596 2.251 3.205 . 0 0 "[ . 1 . 2]" 2 1024 1 58 THR MG 1 59 ARG H . . 5.270 3.462 1.921 4.305 . 0 0 "[ . 1 . 2]" 2 1025 1 31 LEU MD1 1 35 PHE HA . . 4.930 4.743 4.520 4.894 . 0 0 "[ . 1 . 2]" 2 1026 1 66 HIS HD2 1 67 ALA HA . . 3.870 3.449 3.167 3.731 . 0 0 "[ . 1 . 2]" 2 1027 1 67 ALA HA 1 70 CYS HB3 . . 3.470 2.059 1.993 2.292 . 0 0 "[ . 1 . 2]" 2 1028 1 67 ALA HA 1 70 CYS HB2 . . 3.430 2.557 2.229 2.905 . 0 0 "[ . 1 . 2]" 2 1029 1 64 ALA HA 1 65 ARG QG . . 5.380 5.203 5.091 5.364 . 0 0 "[ . 1 . 2]" 2 1030 1 50 CYS H 1 56 THR MG . . 4.780 4.656 4.368 4.798 0.018 2 0 "[ . 1 . 2]" 2 1031 1 49 VAL H 1 56 THR MG . . 5.500 5.050 4.745 5.233 . 0 0 "[ . 1 . 2]" 2 1032 1 55 LYS H 1 56 THR MG . . 5.500 5.356 5.102 5.528 0.028 18 0 "[ . 1 . 2]" 2 1033 1 48 PHE H 1 56 THR MG . . 5.220 5.053 4.785 5.197 . 0 0 "[ . 1 . 2]" 2 1034 1 56 THR H 1 56 THR MG . . 3.490 2.990 2.691 3.239 . 0 0 "[ . 1 . 2]" 2 1035 1 56 THR HA 1 56 THR MG . . 3.250 2.227 2.124 2.296 . 0 0 "[ . 1 . 2]" 2 1036 1 47 ALA HA 1 56 THR MG . . 5.320 5.287 5.138 5.332 0.012 1 0 "[ . 1 . 2]" 2 1037 1 17 ALA MB 1 25 PHE H . . 4.860 4.561 4.386 4.804 . 0 0 "[ . 1 . 2]" 2 1038 1 17 ALA MB 1 18 CYS H . . 3.450 3.256 3.085 3.356 . 0 0 "[ . 1 . 2]" 2 1039 1 17 ALA MB 1 24 THR HA . . 3.900 3.419 3.241 3.676 . 0 0 "[ . 1 . 2]" 2 1040 1 16 TYR HA 1 17 ALA MB . . 4.260 4.083 4.038 4.126 . 0 0 "[ . 1 . 2]" 2 1041 1 17 ALA MB 1 18 CYS HB3 . . 5.010 4.904 4.805 4.984 . 0 0 "[ . 1 . 2]" 2 1042 1 70 CYS HA 1 71 ALA MB . . 4.150 3.856 3.756 3.965 . 0 0 "[ . 1 . 2]" 2 1043 1 20 HIS HA 1 20 HIS HD2 . . 4.860 4.206 4.086 4.382 . 0 0 "[ . 1 . 2]" 2 1044 1 46 ALA MB 1 48 PHE QE . . 4.560 1.986 1.819 2.278 . 0 0 "[ . 1 . 2]" 2 1045 1 20 HIS HD2 1 39 HIS HB2 . . 5.400 4.863 4.471 5.151 . 0 0 "[ . 1 . 2]" 2 1046 1 16 TYR QE 1 28 LYS H . . 4.560 3.344 3.199 3.511 . 0 0 "[ . 1 . 2]" 2 1047 1 15 PRO HD2 1 16 TYR QE . . 4.600 3.683 3.368 4.105 . 0 0 "[ . 1 . 2]" 2 1048 1 15 PRO HG2 1 16 TYR QE . . 4.520 2.505 2.333 2.641 . 0 0 "[ . 1 . 2]" 2 1049 1 15 PRO HG3 1 16 TYR QE . . 4.520 3.308 3.179 3.445 . 0 0 "[ . 1 . 2]" 2 1050 1 16 TYR QE 1 28 LYS HB2 . . 4.010 2.506 1.997 3.776 . 0 0 "[ . 1 . 2]" 2 1051 1 16 TYR QE 1 28 LYS HB3 . . 4.010 3.225 2.007 3.818 . 0 0 "[ . 1 . 2]" 2 1052 1 34 HIS HE1 1 38 TYR QE . . 4.970 4.596 4.229 4.742 . 0 0 "[ . 1 . 2]" 2 1053 1 34 HIS HA 1 38 TYR QE . . 4.190 3.967 3.146 4.203 0.013 18 0 "[ . 1 . 2]" 2 1054 1 37 ARG QD 1 38 TYR QE . . 3.570 2.587 1.925 3.509 . 0 0 "[ . 1 . 2]" 2 1055 1 15 PRO HB2 1 16 TYR QE . . 4.740 4.361 4.228 4.547 . 0 0 "[ . 1 . 2]" 2 1056 1 37 ARG HB3 1 38 TYR QE . . 4.250 3.944 3.772 4.079 . 0 0 "[ . 1 . 2]" 2 1057 1 37 ARG HG2 1 38 TYR QE . . 4.720 3.384 2.796 4.217 . 0 0 "[ . 1 . 2]" 2 1058 1 46 ALA HA 1 48 PHE H . . 5.500 5.463 5.427 5.514 0.014 3 0 "[ . 1 . 2]" 2 1059 1 47 ALA HA 1 48 PHE QD . . 4.750 3.592 3.219 3.927 . 0 0 "[ . 1 . 2]" 2 1060 1 47 ALA HA 1 48 PHE HB2 . . 5.070 4.671 4.623 4.725 . 0 0 "[ . 1 . 2]" 2 1061 1 45 PRO HG2 1 46 ALA HA . . 5.500 5.358 5.281 5.410 . 0 0 "[ . 1 . 2]" 2 1062 1 67 ALA H 1 67 ALA MB . . 3.170 2.119 2.027 2.247 . 0 0 "[ . 1 . 2]" 2 1063 1 64 ALA H 1 67 ALA MB . . 5.130 4.865 4.598 5.058 . 0 0 "[ . 1 . 2]" 2 1064 1 67 ALA MB 1 68 ASP H . . 3.600 2.568 2.351 2.761 . 0 0 "[ . 1 . 2]" 2 1065 1 50 CYS HA 1 67 ALA MB . . 4.620 4.172 3.482 4.447 . 0 0 "[ . 1 . 2]" 2 1066 1 67 ALA MB 1 68 ASP HA . . 4.390 3.724 3.610 3.828 . 0 0 "[ . 1 . 2]" 2 1067 1 66 HIS HA 1 67 ALA MB . . 5.210 4.998 4.977 5.022 . 0 0 "[ . 1 . 2]" 2 1068 1 65 ARG HA 1 67 ALA MB . . 5.100 4.618 4.376 5.074 . 0 0 "[ . 1 . 2]" 2 1069 1 50 CYS HB3 1 67 ALA MB . . 5.500 5.393 4.777 5.512 0.012 19 0 "[ . 1 . 2]" 2 1070 1 67 ALA MB 1 70 CYS HB3 . . 4.010 3.544 3.453 3.643 . 0 0 "[ . 1 . 2]" 2 1071 1 52 LYS H 1 67 ALA MB . . 5.150 4.212 3.871 4.498 . 0 0 "[ . 1 . 2]" 2 1072 1 67 ALA MB 1 70 CYS H . . 4.340 4.268 4.150 4.346 0.006 1 0 "[ . 1 . 2]" 2 1073 1 66 HIS HD2 1 67 ALA MB . . 4.020 3.788 3.345 4.019 . 0 0 "[ . 1 . 2]" 2 1074 1 52 LYS QE 1 67 ALA MB . . 4.360 3.365 2.487 4.367 0.007 14 0 "[ . 1 . 2]" 2 1075 1 63 MET ME 1 67 ALA MB . . 4.790 4.182 3.262 4.773 . 0 0 "[ . 1 . 2]" 2 1076 1 38 TYR HA 1 38 TYR QE . . 4.660 4.597 4.575 4.622 . 0 0 "[ . 1 . 2]" 2 1077 1 64 ALA MB 1 67 ALA H . . 5.080 4.759 4.649 4.911 . 0 0 "[ . 1 . 2]" 2 1078 1 64 ALA MB 1 66 HIS H . . 5.320 4.513 4.425 4.651 . 0 0 "[ . 1 . 2]" 2 1079 1 64 ALA MB 1 68 ASP H . . 5.500 5.228 4.814 5.497 . 0 0 "[ . 1 . 2]" 2 1080 1 63 MET H 1 64 ALA MB . . 4.920 4.330 4.149 4.562 . 0 0 "[ . 1 . 2]" 2 1081 1 61 ASN HA 1 64 ALA MB . . 3.320 2.730 2.542 3.179 . 0 0 "[ . 1 . 2]" 2 1082 1 64 ALA MB 1 65 ARG HA . . 4.350 3.733 3.648 3.813 . 0 0 "[ . 1 . 2]" 2 1083 1 60 ARG QD 1 64 ALA MB . . 4.720 3.258 2.011 4.656 . 0 0 "[ . 1 . 2]" 2 1084 1 61 ASN QB 1 64 ALA MB . . 4.590 4.320 4.025 4.588 . 0 0 "[ . 1 . 2]" 2 1085 1 63 MET HA 1 64 ALA MB . . 5.230 5.015 4.985 5.029 . 0 0 "[ . 1 . 2]" 2 1086 1 40 ASP HB2 1 41 PRO HD2 . . 4.840 4.335 4.071 4.491 . 0 0 "[ . 1 . 2]" 2 1087 1 41 PRO HD2 1 42 ASN QB . . 5.340 4.642 4.301 4.901 . 0 0 "[ . 1 . 2]" 2 1088 1 40 ASP HB3 1 41 PRO HD2 . . 4.840 3.734 3.106 4.379 . 0 0 "[ . 1 . 2]" 2 1089 1 40 ASP H 1 41 PRO HD2 . . 5.000 4.634 4.515 4.708 . 0 0 "[ . 1 . 2]" 2 1090 1 40 ASP H 1 41 PRO HD3 . . 4.970 4.244 4.015 4.400 . 0 0 "[ . 1 . 2]" 2 1091 1 40 ASP HB2 1 41 PRO HD3 . . 5.180 5.022 4.845 5.134 . 0 0 "[ . 1 . 2]" 2 1092 1 40 ASP HB3 1 41 PRO HD3 . . 5.180 4.706 4.336 5.051 . 0 0 "[ . 1 . 2]" 2 1093 1 43 PHE HA 1 45 PRO QD . . 5.310 5.222 5.019 5.316 0.006 6 0 "[ . 1 . 2]" 2 1094 1 50 CYS H 1 63 MET ME . . 4.800 4.251 3.871 4.753 . 0 0 "[ . 1 . 2]" 2 1095 1 49 VAL H 1 63 MET ME . . 4.100 3.597 3.056 4.069 . 0 0 "[ . 1 . 2]" 2 1096 1 63 MET ME 1 64 ALA H . . 4.130 3.695 2.902 4.046 . 0 0 "[ . 1 . 2]" 2 1097 1 48 PHE QE 1 63 MET ME . . 4.890 4.762 4.594 4.912 0.022 19 0 "[ . 1 . 2]" 2 1098 1 48 PHE QD 1 63 MET ME . . 3.580 2.935 2.705 3.265 . 0 0 "[ . 1 . 2]" 2 1099 1 57 PHE QE 1 63 MET ME . . 5.500 5.306 5.001 5.563 0.063 19 0 "[ . 1 . 2]" 2 1100 1 50 CYS HA 1 63 MET ME . . 4.060 2.967 2.776 3.116 . 0 0 "[ . 1 . 2]" 2 1101 1 63 MET ME 1 64 ALA HA . . 4.120 3.728 2.842 4.098 . 0 0 "[ . 1 . 2]" 2 1102 1 50 CYS HB3 1 63 MET ME . . 5.500 5.447 5.285 5.517 0.017 3 0 "[ . 1 . 2]" 2 1103 1 57 PHE HB3 1 63 MET ME . . 5.500 5.434 5.222 5.517 0.017 16 0 "[ . 1 . 2]" 2 1104 1 48 PHE HB3 1 63 MET ME . . 3.400 2.198 1.986 2.858 . 0 0 "[ . 1 . 2]" 2 1105 1 60 ARG HA 1 63 MET ME . . 3.850 3.714 3.533 3.865 0.015 6 0 "[ . 1 . 2]" 2 1106 1 48 PHE HB2 1 63 MET ME . . 3.920 3.539 3.263 3.932 0.012 3 0 "[ . 1 . 2]" 2 1107 1 63 MET HA 1 63 MET ME . . 4.780 4.487 3.789 4.725 . 0 0 "[ . 1 . 2]" 2 1108 1 63 MET HB2 1 63 MET ME . . 3.650 3.413 3.200 3.535 . 0 0 "[ . 1 . 2]" 2 1109 1 57 PHE HB2 1 63 MET ME . . 4.680 4.289 4.099 4.560 . 0 0 "[ . 1 . 2]" 2 1110 1 43 PHE QD 1 45 PRO QD . . 4.490 2.493 2.136 2.654 . 0 0 "[ . 1 . 2]" 2 1111 1 14 LYS HG2 1 15 PRO HD3 . . 5.480 5.249 5.041 5.551 0.071 14 0 "[ . 1 . 2]" 2 1112 1 15 PRO HD3 1 16 TYR H . . 4.610 3.845 3.836 3.889 . 0 0 "[ . 1 . 2]" 2 1113 1 15 PRO HD3 1 16 TYR QD . . 4.650 4.180 4.094 4.270 . 0 0 "[ . 1 . 2]" 2 1114 1 14 LYS HA 1 15 PRO HD3 . . 3.090 2.459 2.279 2.570 . 0 0 "[ . 1 . 2]" 2 1115 1 14 LYS HB3 1 15 PRO HD3 . . 4.760 4.632 4.218 4.804 0.044 17 0 "[ . 1 . 2]" 2 1116 1 14 LYS HG3 1 15 PRO HD3 . . 5.050 4.884 4.208 5.070 0.020 7 0 "[ . 1 . 2]" 2 1117 1 14 LYS HG3 1 15 PRO HD2 . . 4.870 4.366 3.355 4.685 . 0 0 "[ . 1 . 2]" 2 1118 1 14 LYS HG2 1 15 PRO HD2 . . 4.890 4.159 3.886 4.361 . 0 0 "[ . 1 . 2]" 2 1119 1 14 LYS HA 1 15 PRO HD2 . . 3.220 1.937 1.912 2.045 . 0 0 "[ . 1 . 2]" 2 1120 1 15 PRO HD2 1 26 ARG HA . . 3.580 2.321 1.996 2.822 . 0 0 "[ . 1 . 2]" 2 1121 1 33 MET H 1 33 MET ME . . 4.960 4.545 4.086 4.731 . 0 0 "[ . 1 . 2]" 2 1122 1 33 MET ME 1 37 ARG QD . . 4.800 3.465 2.641 4.797 . 0 0 "[ . 1 . 2]" 2 1123 1 53 CYS H 1 73 PRO QD . . 5.220 4.583 4.357 4.904 . 0 0 "[ . 1 . 2]" 2 1124 1 53 CYS HA 1 73 PRO QD . . 3.800 2.264 2.006 2.723 . 0 0 "[ . 1 . 2]" 2 1125 1 72 GLY HA3 1 73 PRO QD . . 3.030 2.083 1.989 2.193 . 0 0 "[ . 1 . 2]" 2 1126 1 82 GLY HA2 1 83 PRO QD . . 3.890 2.277 1.899 3.471 . 0 0 "[ . 1 . 2]" 2 1127 1 82 GLY HA3 1 83 PRO QD . . 3.890 2.708 1.865 3.467 . 0 0 "[ . 1 . 2]" 2 1128 1 24 THR MG 1 25 PHE H . . 3.840 3.722 3.615 3.825 . 0 0 "[ . 1 . 2]" 2 1129 1 24 THR MG 1 25 PHE QD . . 4.680 4.613 4.419 4.699 0.019 10 0 "[ . 1 . 2]" 2 1130 1 24 THR MG 1 25 PHE QE . . 5.010 4.954 4.770 5.028 0.018 9 0 "[ . 1 . 2]" 2 1131 1 14 LYS HA 1 24 THR MG . . 5.500 5.466 5.362 5.547 0.047 6 0 "[ . 1 . 2]" 2 1132 1 16 TYR HA 1 24 THR MG . . 5.500 5.474 5.386 5.515 0.015 12 0 "[ . 1 . 2]" 2 1133 1 24 THR HA 1 24 THR MG . . 3.140 2.277 2.162 2.370 . 0 0 "[ . 1 . 2]" 2 1134 1 49 VAL HB 1 56 THR MG . . 4.610 4.134 2.293 4.671 0.061 18 0 "[ . 1 . 2]" 2 1135 1 17 ALA MB 1 24 THR MG . . 3.010 2.015 1.852 2.231 . 0 0 "[ . 1 . 2]" 2 1136 1 30 LEU HB3 1 30 LEU MD2 . . 3.380 2.874 2.169 3.192 . 0 0 "[ . 1 . 2]" 2 1137 1 29 GLN QG 1 30 LEU MD2 . . 5.320 3.826 2.837 5.319 . 0 0 "[ . 1 . 2]" 2 1138 1 30 LEU HA 1 30 LEU MD2 . . 4.010 2.914 2.014 3.813 . 0 0 "[ . 1 . 2]" 2 1139 1 30 LEU H 1 30 LEU MD2 . . 3.880 2.515 1.807 3.895 0.015 5 0 "[ . 1 . 2]" 2 1140 1 30 LEU MD2 1 31 LEU H . . 4.650 4.160 3.720 4.646 . 0 0 "[ . 1 . 2]" 2 1141 1 25 PHE QD 1 30 LEU MD2 . . 4.480 4.031 2.395 4.539 0.059 20 0 "[ . 1 . 2]" 2 1142 1 31 LEU HA 1 34 HIS HB3 . . 3.590 2.333 2.285 2.406 . 0 0 "[ . 1 . 2]" 2 1143 1 31 LEU HA 1 34 HIS HB2 . . 3.800 3.646 3.567 3.803 0.003 16 0 "[ . 1 . 2]" 2 1144 1 16 TYR HB3 1 31 LEU MD2 . . 3.280 1.899 1.771 1.957 . 0 0 "[ . 1 . 2]" 2 1145 1 16 TYR HB2 1 31 LEU MD2 . . 3.680 3.115 2.911 3.289 . 0 0 "[ . 1 . 2]" 2 1146 1 31 LEU HB3 1 31 LEU MD2 . . 3.510 2.317 2.197 2.458 . 0 0 "[ . 1 . 2]" 2 1147 1 16 TYR HA 1 31 LEU MD2 . . 4.290 3.211 3.037 3.345 . 0 0 "[ . 1 . 2]" 2 1148 1 18 CYS HA 1 31 LEU MD2 . . 4.460 2.774 2.205 3.276 . 0 0 "[ . 1 . 2]" 2 1149 1 31 LEU MD2 1 32 ASP HA . . 5.060 4.923 4.699 5.058 . 0 0 "[ . 1 . 2]" 2 1150 1 25 PHE QE 1 31 LEU MD2 . . 4.440 3.890 3.702 4.131 . 0 0 "[ . 1 . 2]" 2 1151 1 16 TYR H 1 31 LEU MD2 . . 4.910 4.769 4.686 4.920 0.010 9 0 "[ . 1 . 2]" 2 1152 1 18 CYS H 1 31 LEU MD2 . . 4.500 3.384 3.022 3.710 . 0 0 "[ . 1 . 2]" 2 1153 1 37 ARG H 1 37 ARG HG3 . . 4.850 4.595 4.434 4.699 . 0 0 "[ . 1 . 2]" 2 1154 1 37 ARG HG3 1 38 TYR QE . . 4.720 4.607 4.325 4.856 0.136 19 0 "[ . 1 . 2]" 2 1155 1 37 ARG HB3 1 37 ARG QD . . 3.870 2.420 2.061 3.007 . 0 0 "[ . 1 . 2]" 2 1156 1 37 ARG HB2 1 37 ARG QD . . 3.790 2.464 2.191 3.013 . 0 0 "[ . 1 . 2]" 2 1157 1 44 VAL H 1 44 VAL MG2 . . 4.020 3.916 3.830 3.993 . 0 0 "[ . 1 . 2]" 2 1158 1 43 PHE QD 1 44 VAL MG2 . . 4.820 4.648 4.527 4.732 . 0 0 "[ . 1 . 2]" 2 1159 1 44 VAL HA 1 44 VAL MG2 . . 3.110 2.381 2.270 2.502 . 0 0 "[ . 1 . 2]" 2 1160 1 44 VAL MG2 1 45 PRO QD . . 3.400 2.335 2.057 2.591 . 0 0 "[ . 1 . 2]" 2 1161 1 45 PRO HG2 1 47 ALA MB . . 4.520 3.974 3.619 4.397 . 0 0 "[ . 1 . 2]" 2 1162 1 47 ALA MB 1 48 PHE QE . . 5.150 5.117 4.973 5.156 0.006 17 0 "[ . 1 . 2]" 2 1163 1 47 ALA MB 1 57 PHE H . . 5.500 5.331 4.598 5.511 0.011 2 0 "[ . 1 . 2]" 2 1164 1 49 VAL H 1 49 VAL MG1 . . 4.480 3.449 1.997 3.740 . 0 0 "[ . 1 . 2]" 2 1165 1 49 VAL MG1 1 56 THR HA . . 4.260 3.696 3.272 4.262 0.002 2 0 "[ . 1 . 2]" 2 1166 1 49 VAL MG1 1 50 CYS HB2 . . 5.500 4.234 3.742 5.522 0.022 3 0 "[ . 1 . 2]" 2 1167 1 49 VAL MG1 1 50 CYS H . . 4.030 2.548 2.148 3.883 . 0 0 "[ . 1 . 2]" 2 1168 1 49 VAL MG2 1 50 CYS HB2 . . 5.500 5.289 3.886 5.556 0.056 12 0 "[ . 1 . 2]" 2 1169 1 49 VAL MG2 1 56 THR HA . . 4.260 2.274 1.976 2.476 . 0 0 "[ . 1 . 2]" 2 1170 1 49 VAL H 1 49 VAL MG2 . . 4.480 3.013 2.668 3.871 . 0 0 "[ . 1 . 2]" 2 1171 1 55 LYS H 1 55 LYS HG3 . . 4.670 3.356 2.936 4.339 . 0 0 "[ . 1 . 2]" 2 1172 1 55 LYS HA 1 55 LYS HD2 . . 4.920 4.450 4.186 4.688 . 0 0 "[ . 1 . 2]" 2 1173 1 63 MET ME 1 64 ALA MB . . 4.170 3.951 3.245 4.176 0.006 4 0 "[ . 1 . 2]" 2 1174 1 64 ALA MB 1 65 ARG QB . . 4.330 4.221 4.158 4.299 . 0 0 "[ . 1 . 2]" 2 1175 1 64 ALA MB 1 67 ALA MB . . 4.410 4.062 3.925 4.246 . 0 0 "[ . 1 . 2]" 2 1176 1 76 VAL H 1 76 VAL MG1 . . 4.480 2.817 1.878 3.920 . 0 0 "[ . 1 . 2]" 2 1177 1 57 PHE QE 1 66 HIS HB3 . . 4.630 3.459 2.872 3.831 . 0 0 "[ . 1 . 2]" 2 1178 1 20 HIS HD2 1 39 HIS HE1 . . 5.460 4.398 3.990 5.126 . 0 0 "[ . 1 . 2]" 2 1179 1 48 PHE QE 1 60 ARG HB2 . . 5.030 2.945 2.498 4.658 . 0 0 "[ . 1 . 2]" 2 1180 1 48 PHE HZ 1 60 ARG HB2 . . 5.500 3.086 2.699 4.756 . 0 0 "[ . 1 . 2]" 2 1181 1 48 PHE QD 1 60 ARG HB2 . . 5.420 3.554 2.921 5.408 . 0 0 "[ . 1 . 2]" 2 1182 1 15 PRO HD3 1 16 TYR QE . . 5.330 4.706 4.478 5.043 . 0 0 "[ . 1 . 2]" 2 1183 1 20 HIS HD2 1 39 HIS HB3 . . 5.400 3.676 3.202 3.984 . 0 0 "[ . 1 . 2]" 2 1184 1 76 VAL MG2 1 77 GLU H . . 4.810 3.000 1.938 4.297 . 0 0 "[ . 1 . 2]" 2 1185 1 76 VAL HA 1 76 VAL MG2 . . 3.620 2.472 2.138 3.198 . 0 0 "[ . 1 . 2]" 2 1186 1 18 CYS HB2 1 20 HIS H . . 5.500 5.139 4.369 5.463 . 0 0 "[ . 1 . 2]" 2 1187 1 18 CYS HB2 1 31 LEU MD2 . . 5.240 3.818 3.574 4.143 . 0 0 "[ . 1 . 2]" 2 1188 1 66 HIS HE1 1 70 CYS HB3 . . 5.430 5.065 4.653 5.413 . 0 0 "[ . 1 . 2]" 2 1189 1 52 LYS QE 1 70 CYS HB2 . . 5.410 5.110 4.539 5.465 0.055 14 0 "[ . 1 . 2]" 2 1190 1 31 LEU H 1 31 LEU HG . . 4.720 4.303 4.222 4.358 . 0 0 "[ . 1 . 2]" 2 1191 1 31 LEU HG 1 35 PHE HB2 . . 4.940 4.626 4.526 4.777 . 0 0 "[ . 1 . 2]" 2 1192 1 25 PHE QD 1 31 LEU HG . . 5.070 4.630 4.511 4.829 . 0 0 "[ . 1 . 2]" 2 1193 1 17 ALA MB 1 24 THR HB . . 4.080 3.743 3.572 3.997 . 0 0 "[ . 1 . 2]" 2 1194 1 14 LYS HB3 1 24 THR HB . . 3.960 2.351 2.131 2.834 . 0 0 "[ . 1 . 2]" 2 1195 1 14 LYS HB3 1 15 PRO HD2 . . 4.110 3.555 2.948 3.828 . 0 0 "[ . 1 . 2]" 2 1196 1 44 VAL HA 1 44 VAL MG1 . . 3.340 3.194 3.178 3.202 . 0 0 "[ . 1 . 2]" 2 1197 1 44 VAL MG1 1 45 PRO QD . . 4.180 4.019 3.952 4.096 . 0 0 "[ . 1 . 2]" 2 1198 1 8 ARG HA 1 8 ARG QD . . 4.910 3.723 1.992 4.528 . 0 0 "[ . 1 . 2]" 2 1199 1 13 GLU HA 1 14 LYS QD . . 5.340 4.707 3.585 5.371 0.031 10 0 "[ . 1 . 2]" 2 1200 1 13 GLU QB 1 14 LYS H . . 4.430 3.228 1.979 3.937 . 0 0 "[ . 1 . 2]" 2 1201 1 14 LYS HA 1 15 PRO QG . . 4.110 3.779 3.766 3.807 . 0 0 "[ . 1 . 2]" 2 1202 1 14 LYS HG2 1 26 ARG QB . . 4.160 3.036 2.061 3.990 . 0 0 "[ . 1 . 2]" 2 1203 1 14 LYS HG2 1 26 ARG QG . . 4.340 3.455 2.172 4.060 . 0 0 "[ . 1 . 2]" 2 1204 1 14 LYS HG3 1 26 ARG QB . . 5.130 3.542 2.852 4.580 . 0 0 "[ . 1 . 2]" 2 1205 1 14 LYS QE 1 26 ARG QG . . 4.390 3.852 2.419 4.404 0.014 15 0 "[ . 1 . 2]" 2 1206 1 15 PRO QG 1 16 TYR H . . 4.020 2.377 2.059 2.765 . 0 0 "[ . 1 . 2]" 2 1207 1 15 PRO QG 1 16 TYR QD . . 3.820 2.157 1.982 2.460 . 0 0 "[ . 1 . 2]" 2 1208 1 15 PRO QG 1 16 TYR QE . . 3.790 2.434 2.277 2.561 . 0 0 "[ . 1 . 2]" 2 1209 1 15 PRO QG 1 26 ARG HA . . 4.370 3.863 3.587 4.227 . 0 0 "[ . 1 . 2]" 2 1210 1 16 TYR QD 1 28 LYS QB . . 4.810 3.008 2.739 3.363 . 0 0 "[ . 1 . 2]" 2 1211 1 16 TYR QD 1 28 LYS QG . . 5.340 3.857 2.296 4.970 . 0 0 "[ . 1 . 2]" 2 1212 1 16 TYR QD 1 28 LYS QD . . 5.340 3.834 2.191 5.272 . 0 0 "[ . 1 . 2]" 2 1213 1 16 TYR QE 1 28 LYS QB . . 3.440 2.097 1.987 2.316 . 0 0 "[ . 1 . 2]" 2 1214 1 18 CYS HA 1 19 SER QB . . 5.330 4.225 4.008 4.493 . 0 0 "[ . 1 . 2]" 2 1215 1 18 CYS HB2 1 23 LYS QB . . 4.630 2.951 2.770 3.177 . 0 0 "[ . 1 . 2]" 2 1216 1 18 CYS HB3 1 23 LYS QB . . 4.530 2.934 2.750 3.069 . 0 0 "[ . 1 . 2]" 2 1217 1 19 SER QB 1 20 HIS HA . . 5.340 3.980 3.772 4.513 . 0 0 "[ . 1 . 2]" 2 1218 1 19 SER QB 1 20 HIS HE1 . . 4.760 4.451 3.823 4.780 0.020 10 0 "[ . 1 . 2]" 2 1219 1 20 HIS H 1 20 HIS QB . . 3.410 2.293 2.170 2.410 . 0 0 "[ . 1 . 2]" 2 1220 1 20 HIS QB 1 21 CYS H . . 3.430 2.624 2.504 2.829 . 0 0 "[ . 1 . 2]" 2 1221 1 20 HIS QB 1 21 CYS HB3 . . 4.560 3.578 3.524 3.712 . 0 0 "[ . 1 . 2]" 2 1222 1 20 HIS QB 1 35 PHE QD . . 4.730 3.447 3.205 3.720 . 0 0 "[ . 1 . 2]" 2 1223 1 20 HIS QB 1 35 PHE QE . . 4.380 3.139 2.838 3.417 . 0 0 "[ . 1 . 2]" 2 1224 1 20 HIS QB 1 35 PHE HZ . . 5.140 4.800 4.557 5.113 . 0 0 "[ . 1 . 2]" 2 1225 1 20 HIS QB 1 39 HIS QB . . 5.180 4.264 4.077 4.453 . 0 0 "[ . 1 . 2]" 2 1226 1 20 HIS HD2 1 39 HIS QB . . 4.530 3.571 3.135 3.845 . 0 0 "[ . 1 . 2]" 2 1227 1 23 LYS H 1 23 LYS QB . . 3.370 2.389 2.334 2.434 . 0 0 "[ . 1 . 2]" 2 1228 1 23 LYS H 1 23 LYS QD . . 4.600 4.469 4.383 4.618 0.018 11 0 "[ . 1 . 2]" 2 1229 1 23 LYS H 1 23 LYS QE . . 5.340 5.040 4.022 5.371 0.031 7 0 "[ . 1 . 2]" 2 1230 1 23 LYS HA 1 23 LYS QD . . 3.530 2.653 2.334 3.277 . 0 0 "[ . 1 . 2]" 2 1231 1 23 LYS QB 1 23 LYS QD . . 3.210 2.112 2.013 2.222 . 0 0 "[ . 1 . 2]" 2 1232 1 23 LYS QB 1 24 THR H . . 3.320 2.663 2.461 2.865 . 0 0 "[ . 1 . 2]" 2 1233 1 23 LYS QB 1 25 PHE QD . . 4.750 4.142 4.062 4.184 . 0 0 "[ . 1 . 2]" 2 1234 1 23 LYS QB 1 25 PHE QE . . 4.130 2.629 2.497 2.712 . 0 0 "[ . 1 . 2]" 2 1235 1 23 LYS QB 1 25 PHE HZ . . 3.740 2.543 2.442 2.647 . 0 0 "[ . 1 . 2]" 2 1236 1 23 LYS QB 1 34 HIS HE1 . . 4.000 3.442 3.241 3.631 . 0 0 "[ . 1 . 2]" 2 1237 1 23 LYS QE 1 23 LYS QG . . 3.040 2.192 2.105 2.533 . 0 0 "[ . 1 . 2]" 2 1238 1 23 LYS QD 1 24 THR H . . 3.730 3.352 2.999 3.747 0.017 11 0 "[ . 1 . 2]" 2 1239 1 23 LYS QD 1 25 PHE QD . . 5.340 5.256 5.073 5.376 0.036 6 0 "[ . 1 . 2]" 2 1240 1 23 LYS QD 1 25 PHE HZ . . 4.480 3.584 3.280 3.929 . 0 0 "[ . 1 . 2]" 2 1241 1 23 LYS QD 1 34 HIS HE1 . . 4.380 3.641 3.102 4.056 . 0 0 "[ . 1 . 2]" 2 1242 1 23 LYS QE 1 24 THR H . . 5.330 4.711 2.706 5.367 0.037 7 0 "[ . 1 . 2]" 2 1243 1 23 LYS QE 1 25 PHE HZ . . 5.340 4.859 2.430 5.353 0.013 19 0 "[ . 1 . 2]" 2 1244 1 23 LYS QE 1 34 HIS HE1 . . 5.060 3.730 2.430 5.066 0.006 4 0 "[ . 1 . 2]" 2 1245 1 25 PHE HA 1 30 LEU QD . . 4.990 4.405 3.435 4.943 . 0 0 "[ . 1 . 2]" 2 1246 1 25 PHE HB2 1 30 LEU QD . . 4.550 4.166 3.623 4.418 . 0 0 "[ . 1 . 2]" 2 1247 1 25 PHE HB3 1 30 LEU QD . . 3.890 3.146 2.257 3.535 . 0 0 "[ . 1 . 2]" 2 1248 1 25 PHE QD 1 30 LEU QD . . 3.910 3.155 2.386 3.581 . 0 0 "[ . 1 . 2]" 2 1249 1 26 ARG HA 1 26 ARG QG . . 3.630 2.978 2.297 3.422 . 0 0 "[ . 1 . 2]" 2 1250 1 26 ARG HA 1 30 LEU QD . . 5.440 5.282 4.677 5.519 0.079 11 0 "[ . 1 . 2]" 2 1251 1 26 ARG QB 1 26 ARG QD . . 3.230 2.120 2.028 2.422 . 0 0 "[ . 1 . 2]" 2 1252 1 26 ARG QB 1 27 GLN H . . 3.710 2.871 2.142 3.762 0.052 7 0 "[ . 1 . 2]" 2 1253 1 26 ARG QB 1 27 GLN QG . . 4.600 3.229 2.643 4.191 . 0 0 "[ . 1 . 2]" 2 1254 1 26 ARG QB 1 30 LEU QD . . 4.570 4.005 3.214 4.596 0.026 20 0 "[ . 1 . 2]" 2 1255 1 26 ARG QG 1 27 GLN H . . 3.960 2.739 1.762 3.984 0.024 8 0 "[ . 1 . 2]" 2 1256 1 26 ARG QG 1 30 LEU QD . . 5.140 3.522 2.032 5.161 0.021 19 0 "[ . 1 . 2]" 2 1257 1 26 ARG QD 1 27 GLN QG . . 5.340 3.587 1.894 4.683 . 0 0 "[ . 1 . 2]" 2 1258 1 26 ARG QD 1 30 LEU QD . . 5.440 3.916 2.936 4.833 . 0 0 "[ . 1 . 2]" 2 1259 1 27 GLN H 1 27 GLN QG . . 4.080 2.957 2.647 3.585 . 0 0 "[ . 1 . 2]" 2 1260 1 27 GLN H 1 30 LEU QD . . 3.600 2.509 2.216 2.769 . 0 0 "[ . 1 . 2]" 2 1261 1 27 GLN HB2 1 30 LEU QD . . 3.710 1.975 1.851 2.437 . 0 0 "[ . 1 . 2]" 2 1262 1 27 GLN HB3 1 30 LEU QD . . 4.070 3.162 2.360 3.835 . 0 0 "[ . 1 . 2]" 2 1263 1 27 GLN QG 1 28 LYS H . . 5.160 4.108 3.379 4.598 . 0 0 "[ . 1 . 2]" 2 1264 1 27 GLN QG 1 30 LEU H . . 5.340 4.921 4.616 5.192 . 0 0 "[ . 1 . 2]" 2 1265 1 27 GLN QG 1 30 LEU QD . . 3.970 3.300 2.905 3.687 . 0 0 "[ . 1 . 2]" 2 1266 1 28 LYS H 1 28 LYS QG . . 4.890 3.457 2.174 4.029 . 0 0 "[ . 1 . 2]" 2 1267 1 28 LYS HA 1 28 LYS QG . . 3.570 2.865 2.330 3.434 . 0 0 "[ . 1 . 2]" 2 1268 1 28 LYS HA 1 28 LYS QD . . 4.760 3.518 2.108 4.364 . 0 0 "[ . 1 . 2]" 2 1269 1 28 LYS QB 1 28 LYS QD . . 3.320 2.176 2.090 2.546 . 0 0 "[ . 1 . 2]" 2 1270 1 28 LYS QB 1 28 LYS QE . . 4.350 3.424 2.078 3.772 . 0 0 "[ . 1 . 2]" 2 1271 1 28 LYS QG 1 29 GLN HA . . 5.030 3.543 3.143 4.077 . 0 0 "[ . 1 . 2]" 2 1272 1 29 GLN HA 1 29 GLN QE . . 5.090 4.208 2.039 4.917 . 0 0 "[ . 1 . 2]" 2 1273 1 29 GLN HB2 1 30 LEU QD . . 5.010 4.145 3.710 5.009 . 0 0 "[ . 1 . 2]" 2 1274 1 29 GLN HB3 1 30 LEU QD . . 3.750 2.723 2.319 3.812 0.062 18 0 "[ . 1 . 2]" 2 1275 1 29 GLN HB3 1 33 MET QG . . 5.340 5.038 4.673 5.342 0.002 18 0 "[ . 1 . 2]" 2 1276 1 29 GLN QG 1 30 LEU QD . . 3.820 3.187 2.638 3.817 . 0 0 "[ . 1 . 2]" 2 1277 1 29 GLN QG 1 33 MET QG . . 4.320 3.494 3.044 4.310 . 0 0 "[ . 1 . 2]" 2 1278 1 30 LEU H 1 33 MET QG . . 5.340 4.245 4.002 4.502 . 0 0 "[ . 1 . 2]" 2 1279 1 30 LEU HA 1 30 LEU QD . . 2.840 2.034 1.869 2.490 . 0 0 "[ . 1 . 2]" 2 1280 1 30 LEU HA 1 33 MET QG . . 4.240 2.122 1.967 2.336 . 0 0 "[ . 1 . 2]" 2 1281 1 30 LEU HB3 1 33 MET QG . . 5.200 4.086 3.853 4.233 . 0 0 "[ . 1 . 2]" 2 1282 1 30 LEU QD 1 31 LEU H . . 4.020 3.763 3.568 3.962 . 0 0 "[ . 1 . 2]" 2 1283 1 30 LEU QD 1 33 MET H . . 5.130 4.683 4.478 5.130 . 0 0 "[ . 1 . 2]" 2 1284 1 30 LEU QD 1 33 MET QG . . 4.120 3.129 2.805 3.812 . 0 0 "[ . 1 . 2]" 2 1285 1 30 LEU QD 1 33 MET ME . . 3.350 2.364 1.806 3.320 . 0 0 "[ . 1 . 2]" 2 1286 1 30 LEU QD 1 34 HIS H . . 5.440 4.881 4.309 5.429 . 0 0 "[ . 1 . 2]" 2 1287 1 33 MET H 1 33 MET QG . . 3.160 2.108 1.946 2.330 . 0 0 "[ . 1 . 2]" 2 1288 1 33 MET HA 1 33 MET QG . . 3.430 3.364 3.334 3.450 0.020 17 0 "[ . 1 . 2]" 2 1289 1 33 MET QG 1 34 HIS H . . 4.190 2.210 2.003 2.374 . 0 0 "[ . 1 . 2]" 2 1290 1 35 PHE HA 1 39 HIS QB . . 3.990 3.019 2.822 3.308 . 0 0 "[ . 1 . 2]" 2 1291 1 35 PHE QE 1 40 ASP QB . . 4.800 3.989 3.298 4.611 . 0 0 "[ . 1 . 2]" 2 1292 1 35 PHE HZ 1 39 HIS QB . . 5.060 3.592 3.377 4.096 . 0 0 "[ . 1 . 2]" 2 1293 1 36 LYS H 1 36 LYS QG . . 3.540 2.718 2.486 3.041 . 0 0 "[ . 1 . 2]" 2 1294 1 36 LYS H 1 43 PHE QB . . 5.340 4.483 4.367 4.584 . 0 0 "[ . 1 . 2]" 2 1295 1 36 LYS HA 1 36 LYS QG . . 3.440 2.409 2.153 2.634 . 0 0 "[ . 1 . 2]" 2 1296 1 36 LYS HA 1 40 ASP QB . . 3.530 2.047 1.908 2.578 . 0 0 "[ . 1 . 2]" 2 1297 1 36 LYS HB2 1 43 PHE QB . . 4.360 3.062 2.850 3.254 . 0 0 "[ . 1 . 2]" 2 1298 1 36 LYS QG 1 43 PHE H . . 5.340 5.159 4.420 5.410 0.070 16 0 "[ . 1 . 2]" 2 1299 1 36 LYS QG 1 43 PHE QB . . 4.610 3.945 3.385 4.142 . 0 0 "[ . 1 . 2]" 2 1300 1 36 LYS QG 1 43 PHE QD . . 4.780 4.207 3.365 4.683 . 0 0 "[ . 1 . 2]" 2 1301 1 36 LYS QD 1 43 PHE QB . . 5.060 3.621 3.223 4.147 . 0 0 "[ . 1 . 2]" 2 1302 1 37 ARG H 1 37 ARG QG . . 4.060 3.963 3.835 4.033 . 0 0 "[ . 1 . 2]" 2 1303 1 37 ARG HA 1 37 ARG QG . . 3.480 2.526 2.412 2.616 . 0 0 "[ . 1 . 2]" 2 1304 1 37 ARG HB2 1 43 PHE QB . . 4.900 2.960 2.805 3.515 . 0 0 "[ . 1 . 2]" 2 1305 1 37 ARG QG 1 38 TYR H . . 4.300 3.010 2.661 3.340 . 0 0 "[ . 1 . 2]" 2 1306 1 37 ARG QG 1 38 TYR HA . . 4.890 3.350 3.187 3.584 . 0 0 "[ . 1 . 2]" 2 1307 1 37 ARG QG 1 38 TYR QD . . 4.530 2.531 2.029 3.306 . 0 0 "[ . 1 . 2]" 2 1308 1 37 ARG QG 1 38 TYR QE . . 4.060 3.290 2.763 3.973 . 0 0 "[ . 1 . 2]" 2 1309 1 37 ARG QG 1 43 PHE QD . . 5.080 3.388 2.742 4.537 . 0 0 "[ . 1 . 2]" 2 1310 1 39 HIS H 1 39 HIS QB . . 3.350 2.488 2.455 2.535 . 0 0 "[ . 1 . 2]" 2 1311 1 39 HIS H 1 40 ASP QB . . 5.340 4.717 4.560 4.949 . 0 0 "[ . 1 . 2]" 2 1312 1 39 HIS QB 1 40 ASP QB . . 5.180 3.676 3.364 4.076 . 0 0 "[ . 1 . 2]" 2 1313 1 40 ASP QB 1 41 PRO HD2 . . 4.190 3.467 3.043 3.837 . 0 0 "[ . 1 . 2]" 2 1314 1 40 ASP QB 1 41 PRO HD3 . . 4.470 4.297 4.106 4.449 . 0 0 "[ . 1 . 2]" 2 1315 1 40 ASP QB 1 42 ASN H . . 4.180 2.797 2.410 3.326 . 0 0 "[ . 1 . 2]" 2 1316 1 40 ASP QB 1 43 PHE H . . 4.540 3.332 3.172 3.431 . 0 0 "[ . 1 . 2]" 2 1317 1 40 ASP QB 1 43 PHE QB . . 4.030 3.889 3.729 4.034 0.004 9 0 "[ . 1 . 2]" 2 1318 1 41 PRO QB 1 42 ASN H . . 4.040 3.712 3.627 3.766 . 0 0 "[ . 1 . 2]" 2 1319 1 41 PRO HG2 1 42 ASN QD . . 4.630 3.920 2.730 4.586 . 0 0 "[ . 1 . 2]" 2 1320 1 42 ASN H 1 42 ASN QD . . 4.250 3.127 2.099 3.982 . 0 0 "[ . 1 . 2]" 2 1321 1 42 ASN H 1 43 PHE QB . . 5.160 4.559 4.403 4.667 . 0 0 "[ . 1 . 2]" 2 1322 1 43 PHE H 1 43 PHE QB . . 2.940 2.245 2.226 2.265 . 0 0 "[ . 1 . 2]" 2 1323 1 48 PHE H 1 49 VAL QG . . 4.780 4.264 3.972 4.819 0.039 2 0 "[ . 1 . 2]" 2 1324 1 48 PHE HB3 1 49 VAL QG . . 5.160 5.065 4.830 5.172 0.012 18 0 "[ . 1 . 2]" 2 1325 1 48 PHE HB3 1 60 ARG QG . . 5.150 3.898 3.382 4.702 . 0 0 "[ . 1 . 2]" 2 1326 1 48 PHE QE 1 60 ARG QB . . 4.310 2.876 2.470 4.248 . 0 0 "[ . 1 . 2]" 2 1327 1 48 PHE HZ 1 60 ARG QB . . 4.740 3.023 2.673 4.489 . 0 0 "[ . 1 . 2]" 2 1328 1 49 VAL H 1 49 VAL QG . . 3.370 2.660 1.990 2.960 . 0 0 "[ . 1 . 2]" 2 1329 1 49 VAL QG 1 50 CYS H . . 3.350 2.286 2.064 2.483 . 0 0 "[ . 1 . 2]" 2 1330 1 49 VAL QG 1 50 CYS HA . . 5.030 3.782 3.647 3.914 . 0 0 "[ . 1 . 2]" 2 1331 1 49 VAL QG 1 50 CYS HB2 . . 4.540 3.913 3.687 4.049 . 0 0 "[ . 1 . 2]" 2 1332 1 49 VAL QG 1 50 CYS HB3 . . 4.670 3.566 3.363 3.701 . 0 0 "[ . 1 . 2]" 2 1333 1 49 VAL QG 1 51 SER HA . . 4.340 3.874 3.435 4.177 . 0 0 "[ . 1 . 2]" 2 1334 1 49 VAL QG 1 51 SER QB . . 5.100 4.849 4.467 5.054 . 0 0 "[ . 1 . 2]" 2 1335 1 49 VAL QG 1 53 CYS H . . 5.440 5.318 5.092 5.450 0.010 20 0 "[ . 1 . 2]" 2 1336 1 49 VAL QG 1 54 GLY H . . 4.050 3.889 3.697 4.018 . 0 0 "[ . 1 . 2]" 2 1337 1 49 VAL QG 1 54 GLY QA . . 3.120 2.401 2.312 2.510 . 0 0 "[ . 1 . 2]" 2 1338 1 49 VAL QG 1 55 LYS H . . 4.520 3.336 3.002 3.614 . 0 0 "[ . 1 . 2]" 2 1339 1 49 VAL QG 1 55 LYS HA . . 4.550 3.741 3.221 3.934 . 0 0 "[ . 1 . 2]" 2 1340 1 49 VAL QG 1 56 THR H . . 5.440 3.829 3.109 4.188 . 0 0 "[ . 1 . 2]" 2 1341 1 49 VAL QG 1 56 THR HA . . 3.640 2.252 1.960 2.446 . 0 0 "[ . 1 . 2]" 2 1342 1 49 VAL QG 1 56 THR HB . . 5.280 3.663 3.335 4.154 . 0 0 "[ . 1 . 2]" 2 1343 1 49 VAL QG 1 56 THR MG . . 3.770 1.887 1.765 2.122 . 0 0 "[ . 1 . 2]" 2 1344 1 49 VAL QG 1 57 PHE H . . 4.840 3.584 3.288 3.953 . 0 0 "[ . 1 . 2]" 2 1345 1 49 VAL QG 1 57 PHE QD . . 5.040 4.035 3.785 4.270 . 0 0 "[ . 1 . 2]" 2 1346 1 49 VAL QG 1 63 MET ME . . 5.240 4.242 3.760 4.688 . 0 0 "[ . 1 . 2]" 2 1347 1 50 CYS H 1 54 GLY QA . . 4.980 3.799 3.531 4.026 . 0 0 "[ . 1 . 2]" 2 1348 1 50 CYS HB3 1 52 LYS QB . . 4.930 4.285 3.813 4.540 . 0 0 "[ . 1 . 2]" 2 1349 1 51 SER QB 1 52 LYS QG . . 5.040 3.741 3.393 4.602 . 0 0 "[ . 1 . 2]" 2 1350 1 52 LYS H 1 52 LYS QB . . 3.080 2.356 2.185 2.495 . 0 0 "[ . 1 . 2]" 2 1351 1 52 LYS H 1 52 LYS QG . . 3.460 2.661 2.426 3.033 . 0 0 "[ . 1 . 2]" 2 1352 1 52 LYS HA 1 52 LYS QG . . 3.480 2.353 2.165 2.471 . 0 0 "[ . 1 . 2]" 2 1353 1 52 LYS QB 1 52 LYS QD . . 3.440 2.124 2.046 2.248 . 0 0 "[ . 1 . 2]" 2 1354 1 52 LYS QB 1 52 LYS QE . . 4.420 3.350 2.143 3.652 . 0 0 "[ . 1 . 2]" 2 1355 1 52 LYS QB 1 53 CYS H . . 3.400 2.412 2.182 2.641 . 0 0 "[ . 1 . 2]" 2 1356 1 52 LYS QB 1 54 GLY H . . 4.790 4.316 4.113 4.452 . 0 0 "[ . 1 . 2]" 2 1357 1 52 LYS QB 1 70 CYS HB3 . . 4.510 3.047 2.876 3.293 . 0 0 "[ . 1 . 2]" 2 1358 1 52 LYS QB 1 72 GLY H . . 4.250 3.555 2.223 4.129 . 0 0 "[ . 1 . 2]" 2 1359 1 52 LYS QB 1 72 GLY HA2 . . 4.200 2.641 2.223 2.947 . 0 0 "[ . 1 . 2]" 2 1360 1 52 LYS QG 1 53 CYS H . . 4.320 4.070 3.796 4.312 . 0 0 "[ . 1 . 2]" 2 1361 1 53 CYS HB2 1 73 PRO QB . . 4.980 3.561 3.030 4.047 . 0 0 "[ . 1 . 2]" 2 1362 1 55 LYS H 1 55 LYS QG . . 3.980 3.224 2.876 3.980 0.000 14 0 "[ . 1 . 2]" 2 1363 1 55 LYS HA 1 55 LYS QD . . 4.330 3.976 3.829 4.079 . 0 0 "[ . 1 . 2]" 2 1364 1 55 LYS HB2 1 55 LYS QE . . 4.710 3.964 3.297 4.167 . 0 0 "[ . 1 . 2]" 2 1365 1 55 LYS QE 1 55 LYS QG . . 3.220 2.217 2.048 2.404 . 0 0 "[ . 1 . 2]" 2 1366 1 55 LYS QG 1 56 THR H . . 3.820 3.102 1.867 3.570 . 0 0 "[ . 1 . 2]" 2 1367 1 55 LYS QG 1 57 PHE QE . . 4.560 4.089 3.765 4.342 . 0 0 "[ . 1 . 2]" 2 1368 1 55 LYS QG 1 57 PHE HZ . . 4.990 4.732 4.239 4.996 0.006 16 0 "[ . 1 . 2]" 2 1369 1 55 LYS QD 1 57 PHE QE . . 3.940 3.406 3.148 3.567 . 0 0 "[ . 1 . 2]" 2 1370 1 55 LYS QD 1 57 PHE HZ . . 3.900 3.094 2.806 3.334 . 0 0 "[ . 1 . 2]" 2 1371 1 55 LYS QD 1 66 HIS HE1 . . 4.060 3.207 2.770 4.064 0.004 14 0 "[ . 1 . 2]" 2 1372 1 55 LYS QE 1 57 PHE QE . . 5.340 4.968 3.629 5.340 0.000 7 0 "[ . 1 . 2]" 2 1373 1 55 LYS QE 1 66 HIS HE1 . . 5.340 4.157 3.172 5.297 . 0 0 "[ . 1 . 2]" 2 1374 1 58 THR MG 1 59 ARG QG . . 4.480 3.819 2.147 4.480 0.000 2 0 "[ . 1 . 2]" 2 1375 1 59 ARG H 1 59 ARG QB . . 3.630 2.622 2.389 3.285 . 0 0 "[ . 1 . 2]" 2 1376 1 59 ARG H 1 59 ARG QG . . 4.070 3.213 1.934 4.096 0.026 10 0 "[ . 1 . 2]" 2 1377 1 59 ARG QB 1 62 THR H . . 4.530 2.670 2.178 3.095 . 0 0 "[ . 1 . 2]" 2 1378 1 59 ARG QB 1 62 THR HB . . 3.760 2.546 2.067 3.319 . 0 0 "[ . 1 . 2]" 2 1379 1 59 ARG QB 1 62 THR MG . . 4.470 3.700 3.236 4.474 0.004 18 0 "[ . 1 . 2]" 2 1380 1 59 ARG QG 1 62 THR HB . . 5.190 4.085 1.851 4.706 . 0 0 "[ . 1 . 2]" 2 1381 1 59 ARG QG 1 62 THR MG . . 5.030 4.715 2.801 5.030 . 0 0 "[ . 1 . 2]" 2 1382 1 59 ARG QD 1 62 THR MG . . 4.460 4.119 3.369 4.423 . 0 0 "[ . 1 . 2]" 2 1383 1 60 ARG HA 1 60 ARG QG . . 3.470 2.359 2.182 2.509 . 0 0 "[ . 1 . 2]" 2 1384 1 60 ARG QG 1 63 MET ME . . 4.570 3.521 3.063 4.547 . 0 0 "[ . 1 . 2]" 2 1385 1 66 HIS HA 1 69 ASN QB . . 4.850 3.421 3.076 4.290 . 0 0 "[ . 1 . 2]" 2 1386 1 69 ASN H 1 69 ASN QB . . 3.370 2.438 2.171 2.794 . 0 0 "[ . 1 . 2]" 2 1387 1 69 ASN H 1 69 ASN QD . . 4.790 2.947 1.892 3.760 . 0 0 "[ . 1 . 2]" 2 1388 1 76 VAL H 1 76 VAL QG . . 3.740 2.391 1.873 3.066 . 0 0 "[ . 1 . 2]" 2 1389 1 76 VAL QG 1 77 GLU QB . . 4.760 3.979 2.342 4.740 . 0 0 "[ . 1 . 2]" 2 1390 1 77 GLU QB 1 78 GLY QA . . 5.030 3.941 3.418 4.407 . 0 0 "[ . 1 . 2]" 2 1391 1 78 GLY QA 1 79 GLU QB . . 5.340 4.023 3.571 4.544 . 0 0 "[ . 1 . 2]" 2 1392 1 82 GLY QA 1 83 PRO QG . . 4.840 3.733 3.644 4.074 . 0 0 "[ . 1 . 2]" 2 1393 1 82 GLY QA 1 83 PRO QD . . 3.250 1.991 1.851 2.296 . 0 0 "[ . 1 . 2]" 2 stop_ save_
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