NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
548226 | 2lx0 | 18655 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lx0 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 736 _Distance_constraint_stats_list.Viol_count 3355 _Distance_constraint_stats_list.Viol_total 5740.006 _Distance_constraint_stats_list.Viol_max 0.256 _Distance_constraint_stats_list.Viol_rms 0.0128 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0031 _Distance_constraint_stats_list.Viol_average_violations_only 0.0342 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 1 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 2 LYS 1.051 0.079 38 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 3 HIS 4.102 0.135 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 4 THR 5.218 0.121 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 5 ILE 12.193 0.135 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 6 TRP 2.081 0.072 5 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 7 GLU 10.670 0.121 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 8 VAL 0.052 0.015 25 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 9 ILE 17.743 0.092 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 10 ALA 13.160 0.119 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 11 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 12 LEU 4.665 0.090 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 13 VAL 11.107 0.059 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 14 ALA 4.552 0.115 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 15 LEU 5.406 0.103 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 16 LEU 5.822 0.099 21 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 17 THR 4.589 0.116 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 18 PHE 3.834 0.124 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 19 LEU 6.567 0.126 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 20 ALA 2.645 0.080 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 21 PHE 6.353 0.116 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 22 GLY 2.452 0.126 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 23 PHE 9.796 0.154 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 24 TRP 9.991 0.092 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 25 LEU 9.259 0.106 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 26 PHE 10.961 0.256 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 27 LYS 8.512 0.256 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 28 TYR 10.256 0.194 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 29 LEU 8.387 0.194 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 30 GLN 5.731 0.152 33 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 31 LYS 3.539 0.166 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 32 LYS 3.114 0.188 34 0 "[ . 1 . 2 . 3 . 4 . 5]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 1 LYS QB 1 1 LYS QE 3.900 . 6.000 3.158 2.009 3.747 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 2 1 2 LYS HA 1 2 LYS QD 3.900 . 6.000 3.593 2.099 4.267 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 3 1 2 LYS QB 1 2 LYS QE 3.900 . 6.000 2.851 2.037 3.837 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 4 1 3 HIS QB 1 3 HIS HD2 2.900 . 4.000 2.738 2.674 2.757 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 5 1 3 HIS HA 1 3 HIS HD2 3.400 . 5.000 4.742 4.619 4.898 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 6 1 3 HIS H 1 3 HIS QB 3.400 . 5.000 2.694 2.200 3.098 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 7 1 3 HIS H 1 3 HIS HD2 3.900 . 6.000 5.821 5.288 6.097 0.097 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 8 1 3 HIS HA 1 3 HIS HE1 3.900 . 6.000 4.542 4.352 5.999 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 9 1 4 THR HA 1 4 THR MG 2.900 . 4.000 3.177 3.168 3.195 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 10 1 4 THR H 1 4 THR MG 2.900 . 4.000 1.915 1.769 2.325 0.031 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 11 1 5 ILE HB 1 5 ILE MG 2.300 . 2.800 2.138 2.122 2.151 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 12 1 5 ILE QG 1 5 ILE MG 2.300 . 2.800 2.087 2.018 2.131 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 13 1 5 ILE HB 1 5 ILE MD 2.300 . 2.800 2.145 2.141 2.154 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 14 1 5 ILE MD 1 5 ILE MG 2.900 . 4.000 2.464 2.367 2.519 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 15 1 5 ILE HA 1 5 ILE MG 2.900 . 4.000 2.253 2.226 2.268 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 16 1 5 ILE HA 1 5 ILE HB 2.900 . 4.000 2.581 2.568 2.593 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 17 1 5 ILE HA 1 5 ILE MD 2.900 . 4.000 4.054 4.048 4.066 0.066 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 18 1 5 ILE H 1 5 ILE MD 2.900 . 4.000 3.586 3.545 3.656 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 19 1 5 ILE HA 1 5 ILE QG 2.900 . 4.000 3.266 3.256 3.271 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 20 1 5 ILE H 1 5 ILE HA 2.900 . 4.000 2.955 2.927 2.964 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 21 1 5 ILE H 1 5 ILE HB 2.900 . 4.000 3.633 3.576 3.695 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 22 1 5 ILE H 1 5 ILE MG 3.400 . 5.000 3.008 2.807 3.134 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 23 1 5 ILE H 1 5 ILE QG 3.400 . 5.000 1.803 1.782 1.871 0.018 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 24 1 6 TRP HA 1 6 TRP HE3 2.900 . 4.000 2.327 2.285 2.341 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 25 1 6 TRP QB 1 6 TRP HD1 2.900 . 4.000 2.489 2.486 2.492 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 26 1 6 TRP HA 1 6 TRP HD1 3.400 . 5.000 4.199 4.186 4.217 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 27 1 6 TRP H 1 6 TRP QB 2.900 . 4.000 2.095 2.078 2.112 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 28 1 6 TRP QB 1 6 TRP HE3 2.900 . 4.000 3.163 3.145 3.200 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 29 1 6 TRP H 1 6 TRP HA 2.900 . 4.000 2.726 2.711 2.734 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 30 1 6 TRP HA 1 6 TRP HZ3 3.400 . 5.000 4.431 4.400 4.441 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 31 1 6 TRP H 1 6 TRP HZ3 3.900 . 6.000 4.828 4.763 4.890 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 32 1 6 TRP QB 1 6 TRP HZ3 3.900 . 6.000 5.277 5.264 5.303 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 33 1 6 TRP HA 1 6 TRP HE1 3.900 . 6.000 5.149 5.135 5.165 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 34 1 7 GLU H 1 7 GLU HA 2.900 . 4.000 2.777 2.732 2.815 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 35 1 7 GLU HA 1 7 GLU QG 2.900 . 4.000 2.334 2.167 2.529 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 36 1 7 GLU H 1 7 GLU QG 3.400 . 5.000 2.905 2.097 3.357 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 37 1 7 GLU H 1 7 GLU QB 3.400 . 5.000 2.142 2.025 2.485 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 38 1 8 VAL HA 1 8 VAL QG 2.300 . 2.800 2.099 2.076 2.117 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 39 1 8 VAL H 1 8 VAL QG 2.900 . 4.000 2.180 2.016 2.492 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 40 1 8 VAL HA 1 8 VAL HB 2.900 . 4.000 3.011 2.999 3.026 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 41 1 8 VAL H 1 8 VAL HA 2.900 . 4.000 2.944 2.933 2.956 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 42 1 8 VAL H 1 8 VAL HB 2.900 . 4.000 2.742 2.645 2.804 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 43 1 9 ILE QG 1 9 ILE MG 2.300 . 2.800 2.541 2.528 2.547 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 44 1 9 ILE MD 1 9 ILE MG 2.300 . 2.800 1.772 1.769 1.775 0.031 48 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 45 1 9 ILE HA 1 9 ILE MG 2.900 . 4.000 3.139 3.123 3.144 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 46 1 9 ILE HB 1 9 ILE MG 2.300 . 2.800 2.120 2.114 2.122 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 47 1 9 ILE H 1 9 ILE HA 2.900 . 4.000 2.949 2.947 2.953 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 48 1 9 ILE H 1 9 ILE QG 2.900 . 4.000 4.070 4.058 4.092 0.092 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 49 1 9 ILE H 1 9 ILE MG 2.900 . 4.000 1.896 1.876 1.946 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 50 1 9 ILE HB 1 9 ILE MD 2.900 . 4.000 3.133 3.131 3.138 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 51 1 9 ILE HA 1 9 ILE MD 2.900 . 4.000 3.719 3.701 3.739 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 52 1 9 ILE H 1 9 ILE MD 2.900 . 4.000 3.515 3.438 3.542 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 53 1 9 ILE HA 1 9 ILE HB 2.900 . 4.000 2.298 2.282 2.303 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 54 1 9 ILE H 1 9 ILE HB 2.900 . 4.000 3.305 3.270 3.350 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 55 1 10 ALA HA 1 10 ALA MB 2.300 . 2.800 2.141 2.139 2.144 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 56 1 10 ALA H 1 10 ALA MB 2.300 . 2.800 2.248 2.242 2.263 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 57 1 10 ALA H 1 10 ALA HA 2.900 . 4.000 2.861 2.854 2.879 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 58 1 12 LEU HA 1 12 LEU QD 2.300 . 2.800 2.368 2.274 2.542 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 59 1 12 LEU QB 1 12 LEU QD 2.300 . 2.800 1.882 1.867 1.896 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 60 1 12 LEU H 1 12 LEU QD 2.900 . 4.000 3.798 3.766 3.825 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 61 1 12 LEU H 1 12 LEU HA 2.900 . 4.000 2.934 2.931 2.937 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 62 1 12 LEU H 1 12 LEU QB 2.900 . 4.000 2.396 2.383 2.406 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 63 1 12 LEU H 1 12 LEU HG 3.400 . 5.000 4.437 4.424 4.446 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 64 1 13 VAL HA 1 13 VAL QG 2.300 . 2.800 2.090 2.073 2.101 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 65 1 13 VAL H 1 13 VAL QG 2.300 . 2.800 2.645 2.617 2.696 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 66 1 13 VAL H 1 13 VAL HA 2.900 . 4.000 2.963 2.961 2.965 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 67 1 13 VAL H 1 13 VAL HB 2.900 . 4.000 2.591 2.526 2.650 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 68 1 13 VAL HA 1 13 VAL HB 2.900 . 4.000 3.027 3.024 3.030 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 69 1 14 ALA HA 1 14 ALA MB 2.300 . 2.800 2.139 2.102 2.146 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 70 1 14 ALA H 1 14 ALA HA 2.900 . 4.000 2.730 2.726 2.736 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 71 1 15 LEU QB 1 15 LEU QD 2.300 . 2.800 1.911 1.896 1.922 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 72 1 15 LEU HA 1 15 LEU QD 2.300 . 2.800 2.093 2.084 2.149 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 73 1 15 LEU QB 1 15 LEU HG 2.300 . 2.800 2.377 2.366 2.413 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 74 1 15 LEU HA 1 15 LEU HG 2.900 . 4.000 3.019 2.714 3.096 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 75 1 15 LEU H 1 15 LEU HG 3.400 . 5.000 3.897 1.902 4.470 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 76 1 15 LEU H 1 15 LEU QD 2.900 . 4.000 3.481 2.840 3.680 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 77 1 15 LEU H 1 15 LEU HA 2.900 . 4.000 2.836 2.805 2.854 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 78 1 15 LEU H 1 15 LEU QB 2.900 . 4.000 2.322 2.253 2.533 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 79 1 16 LEU QB 1 16 LEU QD 2.300 . 2.800 1.946 1.936 1.949 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 80 1 16 LEU HA 1 16 LEU QD 2.300 . 2.800 2.093 2.087 2.131 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 81 1 16 LEU H 1 16 LEU QD 2.300 . 2.800 2.819 2.808 2.845 0.045 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 82 1 16 LEU H 1 16 LEU QB 2.900 . 4.000 2.598 2.562 2.638 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 83 1 16 LEU HA 1 16 LEU HG 2.900 . 4.000 3.290 3.226 3.307 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 84 1 17 THR HA 1 17 THR MG 2.300 . 2.800 2.545 2.349 2.636 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 85 1 17 THR HB 1 17 THR MG 2.300 . 2.800 2.138 2.121 2.141 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 86 1 17 THR H 1 17 THR MG 2.900 . 4.000 3.673 3.598 3.859 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 87 1 17 THR HA 1 17 THR HB 2.900 . 4.000 2.992 2.980 3.024 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 88 1 17 THR H 1 17 THR HA 2.900 . 4.000 2.951 2.932 2.958 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 89 1 17 THR H 1 17 THR HB 2.900 . 4.000 2.532 2.370 2.757 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 90 1 18 PHE HA 1 18 PHE QB 2.300 . 2.800 2.464 2.445 2.482 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 91 1 18 PHE H 1 18 PHE QB 2.900 . 4.000 2.159 2.135 2.197 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 92 1 18 PHE H 1 18 PHE HA 2.900 . 4.000 2.724 2.699 2.870 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 93 1 18 PHE H 1 18 PHE QD 3.400 . 5.000 3.859 3.778 3.970 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 94 1 18 PHE HA 1 18 PHE QE 3.400 . 5.000 4.313 4.222 4.413 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 95 1 18 PHE H 1 18 PHE QE 3.900 . 6.000 5.992 5.937 6.073 0.073 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 96 1 18 PHE HA 1 18 PHE HZ 3.900 . 6.000 5.651 5.589 5.694 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 97 1 19 LEU HA 1 19 LEU QD 2.300 . 2.800 1.980 1.962 2.248 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 98 1 19 LEU QB 1 19 LEU QD 2.300 . 2.800 2.001 1.940 2.005 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 99 1 19 LEU H 1 19 LEU QD 2.300 . 2.800 1.889 1.801 2.529 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 100 1 19 LEU H 1 19 LEU HG 2.900 . 4.000 3.768 1.827 3.944 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 101 1 19 LEU HA 1 19 LEU HG 2.900 . 4.000 3.604 2.494 3.646 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 102 1 19 LEU H 1 19 LEU QB 2.900 . 4.000 2.244 2.210 2.682 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 103 1 20 ALA HA 1 20 ALA MB 2.300 . 2.800 2.109 2.097 2.141 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 104 1 20 ALA H 1 20 ALA MB 2.300 . 2.800 2.125 2.040 2.298 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 105 1 20 ALA H 1 20 ALA HA 2.900 . 4.000 2.800 2.705 2.940 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 106 1 21 PHE QB 1 21 PHE QE 2.900 . 4.000 3.968 3.962 3.975 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 107 1 21 PHE QB 1 21 PHE QD 2.300 . 2.800 2.156 2.149 2.169 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 108 1 21 PHE H 1 21 PHE QB 2.900 . 4.000 2.331 2.279 2.539 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 109 1 21 PHE HA 1 21 PHE QD 2.900 . 4.000 3.032 2.328 3.104 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 110 1 21 PHE H 1 21 PHE HA 2.900 . 4.000 2.892 2.872 2.927 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 111 1 21 PHE HA 1 21 PHE QE 3.400 . 5.000 4.562 4.459 4.621 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 112 1 21 PHE H 1 21 PHE QD 2.900 . 4.000 1.996 1.869 2.963 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 113 1 21 PHE H 1 21 PHE QE 3.400 . 5.000 4.256 4.177 4.411 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 114 1 21 PHE H 1 21 PHE HZ 3.900 . 6.000 6.026 5.511 6.091 0.091 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 115 1 23 PHE HA 1 23 PHE QB 2.300 . 2.800 2.447 2.212 2.542 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 116 1 23 PHE QB 1 23 PHE QD 2.900 . 4.000 2.162 2.142 2.178 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 117 1 23 PHE H 1 23 PHE QB 2.900 . 4.000 2.111 2.055 2.207 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 118 1 23 PHE H 1 23 PHE HA 2.900 . 4.000 2.759 2.700 2.791 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 119 1 23 PHE H 1 23 PHE QD 2.900 . 4.000 3.553 2.896 4.132 0.132 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 120 1 23 PHE HA 1 23 PHE QE 3.400 . 5.000 4.362 4.157 4.944 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 121 1 23 PHE H 1 23 PHE QE 3.900 . 6.000 5.556 5.212 6.154 0.154 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 122 1 24 TRP HA 1 24 TRP HD1 2.900 . 4.000 2.534 2.439 2.717 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 123 1 24 TRP QB 1 24 TRP HD1 2.900 . 4.000 2.818 2.761 2.853 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 124 1 24 TRP H 1 24 TRP QB 2.900 . 4.000 2.317 2.217 2.408 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 125 1 24 TRP H 1 24 TRP HA 2.900 . 4.000 2.919 2.775 2.953 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 126 1 24 TRP H 1 24 TRP HD1 3.400 . 5.000 5.043 4.961 5.092 0.092 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 127 1 24 TRP QB 1 24 TRP HE3 2.900 . 4.000 2.445 2.435 2.457 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 128 1 24 TRP HA 1 24 TRP HE3 3.400 . 5.000 5.045 4.978 5.078 0.078 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 129 1 24 TRP H 1 24 TRP HE3 3.400 . 5.000 4.528 4.413 4.621 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 130 1 24 TRP HA 1 24 TRP HE1 3.900 . 6.000 4.828 4.744 4.952 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 131 1 24 TRP QB 1 24 TRP HZ3 3.900 . 6.000 4.741 4.728 4.758 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 132 1 25 LEU QB 1 25 LEU QD 2.300 . 2.800 1.898 1.889 1.906 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 133 1 25 LEU HA 1 25 LEU QD 2.300 . 2.800 2.227 2.196 2.254 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 134 1 25 LEU H 1 25 LEU QD 2.900 . 4.000 3.216 3.138 3.307 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 135 1 25 LEU H 1 25 LEU HA 2.900 . 4.000 2.606 2.588 2.669 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 136 1 25 LEU H 1 25 LEU QB 2.900 . 4.000 2.365 2.296 2.406 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 137 1 25 LEU HA 1 25 LEU HG 3.400 . 5.000 2.336 2.284 2.397 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 138 1 25 LEU H 1 25 LEU HG 3.400 . 5.000 2.619 2.557 2.671 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 139 1 26 PHE QB 1 26 PHE QD 2.900 . 4.000 2.179 2.159 2.190 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 140 1 26 PHE H 1 26 PHE HA 2.900 . 4.000 2.858 2.814 2.878 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 141 1 26 PHE HA 1 26 PHE QE 3.400 . 5.000 4.542 4.498 4.588 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 142 1 26 PHE H 1 26 PHE QB 2.900 . 4.000 2.651 2.617 2.708 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 143 1 26 PHE H 1 26 PHE QD 2.900 . 4.000 2.883 2.771 2.943 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 144 1 26 PHE QB 1 26 PHE QE 2.900 . 4.000 3.976 3.966 3.981 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 145 1 26 PHE H 1 26 PHE QE 3.400 . 5.000 4.027 3.926 4.069 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 146 1 26 PHE H 1 26 PHE HZ 3.400 . 5.000 5.048 4.914 5.080 0.080 24 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 147 1 27 LYS HA 1 27 LYS QD 2.900 . 4.000 2.622 2.087 4.038 0.038 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 148 1 27 LYS HA 1 27 LYS QG 2.900 . 4.000 2.834 2.215 3.340 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 149 1 27 LYS H 1 27 LYS QG 2.900 . 4.000 2.064 1.736 3.339 0.064 39 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 150 1 27 LYS QG 1 27 LYS QZ 2.900 . 4.000 2.597 1.743 3.410 0.057 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 151 1 27 LYS H 1 27 LYS HA 2.900 . 4.000 2.772 2.715 2.962 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 152 1 27 LYS QD 1 27 LYS QZ 2.900 . 4.000 2.108 1.883 2.422 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 153 1 27 LYS H 1 27 LYS QB 2.900 . 4.000 2.588 2.260 2.963 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 154 1 27 LYS HA 1 27 LYS QZ 3.400 . 5.000 3.742 1.787 4.185 0.013 39 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 155 1 27 LYS H 1 27 LYS QZ 3.400 . 5.000 3.863 2.778 5.025 0.025 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 156 1 27 LYS QB 1 27 LYS QZ 3.400 . 5.000 3.681 1.794 4.284 0.006 5 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 157 1 27 LYS H 1 27 LYS QD 3.400 . 5.000 2.659 1.747 3.748 0.053 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 158 1 27 LYS QB 1 27 LYS QE 3.900 . 6.000 3.360 2.268 3.725 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 159 1 27 LYS HA 1 27 LYS QE 3.900 . 6.000 4.257 3.575 4.928 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 160 1 28 TYR HA 1 28 TYR QD 2.300 . 2.800 2.865 2.761 2.991 0.191 33 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 161 1 28 TYR QB 1 28 TYR QD 2.900 . 4.000 2.155 2.143 2.161 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 162 1 28 TYR H 1 28 TYR HA 2.900 . 4.000 2.951 2.883 2.968 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 163 1 28 TYR HA 1 28 TYR QE 3.400 . 5.000 4.979 4.901 5.040 0.040 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 164 1 28 TYR H 1 28 TYR QB 2.900 . 4.000 2.473 2.270 2.815 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 165 1 28 TYR H 1 28 TYR QD 2.900 . 4.000 3.734 3.554 3.997 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 166 1 28 TYR QB 1 28 TYR QE 2.900 . 4.000 3.966 3.956 3.971 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 167 1 28 TYR H 1 28 TYR QE 3.900 . 6.000 5.659 5.540 5.788 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 168 1 29 LEU HA 1 29 LEU QD 2.300 . 2.800 2.365 1.957 2.905 0.105 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 169 1 29 LEU H 1 29 LEU QD 2.900 . 4.000 3.738 3.419 3.835 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 170 1 29 LEU H 1 29 LEU HA 2.900 . 4.000 2.918 2.890 2.951 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 171 1 29 LEU H 1 29 LEU QB 2.900 . 4.000 2.269 2.109 2.393 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 172 1 29 LEU H 1 29 LEU HG 3.400 . 5.000 4.227 2.998 4.787 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 173 1 30 GLN H 1 30 GLN HA 2.900 . 4.000 2.881 2.764 2.935 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 174 1 30 GLN HA 1 30 GLN QG 2.900 . 4.000 2.390 2.317 2.531 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 175 1 30 GLN H 1 30 GLN QB 2.900 . 4.000 2.248 2.155 2.320 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 176 1 30 GLN H 1 30 GLN QG 2.900 . 4.000 3.924 3.861 4.028 0.028 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 177 1 30 GLN HA 1 30 GLN QE 3.900 . 6.000 4.015 3.329 4.076 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 178 1 30 GLN H 1 30 GLN QE 3.900 . 6.000 4.063 3.589 4.305 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 179 1 31 LYS QD 1 31 LYS QG 2.300 . 2.800 2.082 2.054 2.105 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 180 1 31 LYS H 1 31 LYS HA 2.900 . 4.000 2.954 2.910 2.962 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 181 1 31 LYS H 1 31 LYS QB 2.900 . 4.000 2.331 2.143 2.654 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 182 1 31 LYS HA 1 31 LYS QD 3.400 . 5.000 2.404 2.249 3.684 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 183 1 31 LYS H 1 31 LYS QG 3.400 . 5.000 3.907 3.430 4.203 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 184 1 31 LYS HA 1 31 LYS QG 3.400 . 5.000 2.321 2.255 2.414 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 185 1 31 LYS QB 1 31 LYS QZ 3.400 . 5.000 4.069 3.174 4.266 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 186 1 31 LYS H 1 31 LYS QD 3.400 . 5.000 2.651 2.366 3.295 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 187 1 31 LYS QB 1 31 LYS QE 3.400 . 5.000 3.459 3.342 3.728 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 188 1 31 LYS QG 1 31 LYS QZ 3.900 . 6.000 3.281 2.326 3.376 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 189 1 31 LYS H 1 31 LYS QZ 3.900 . 6.000 4.383 3.981 4.808 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 190 1 32 LYS H 1 32 LYS HA 2.900 . 4.000 2.777 2.299 2.956 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 191 1 32 LYS H 1 32 LYS QB 2.900 . 4.000 2.846 2.075 3.352 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 192 1 32 LYS H 1 32 LYS QG 2.900 . 4.000 2.584 1.785 3.989 0.015 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 193 1 32 LYS HA 1 32 LYS QG 3.400 . 5.000 2.864 2.134 3.432 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 194 1 32 LYS HA 1 32 LYS QE 3.900 . 6.000 4.570 2.325 5.513 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 195 1 32 LYS H 1 32 LYS QE 3.900 . 6.000 4.061 3.105 4.783 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 196 1 2 LYS HA 1 3 HIS H 2.900 . 4.000 2.945 2.130 3.570 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 197 1 2 LYS QB 1 3 HIS H 3.900 . 6.000 2.916 1.794 4.022 0.006 6 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 198 1 2 LYS HA 1 3 HIS QB 3.900 . 6.000 4.206 3.869 4.785 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 199 1 2 LYS QD 1 3 HIS H 3.900 . 6.000 3.355 1.797 5.438 0.003 19 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 200 1 3 HIS HA 1 4 THR H 2.900 . 4.000 3.069 2.619 3.563 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 201 1 3 HIS HE1 1 4 THR HA 3.900 . 6.000 5.681 4.905 6.032 0.032 8 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 202 1 3 HIS HE1 1 4 THR MG 2.900 . 4.000 2.936 2.796 3.658 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 203 1 3 HIS HA 1 4 THR MG 3.400 . 5.000 4.263 4.124 4.436 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 204 1 3 HIS QB 1 4 THR H 3.400 . 5.000 2.127 1.794 2.865 0.006 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 205 1 3 HIS HD2 1 4 THR MG 3.400 . 5.000 2.816 2.356 2.980 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 206 1 3 HIS HD2 1 4 THR H 3.900 . 6.000 3.216 2.856 3.879 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 207 1 3 HIS HE1 1 4 THR H 3.900 . 6.000 4.197 3.275 5.482 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 208 1 3 HIS QB 1 4 THR MG 3.900 . 6.000 3.217 3.055 3.444 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 209 1 3 HIS HD2 1 4 THR HA 3.900 . 6.000 5.939 5.389 6.065 0.065 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 210 1 3 HIS H 1 4 THR H 3.900 . 6.000 4.162 3.063 4.674 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 211 1 4 THR HA 1 5 ILE H 2.900 . 4.000 3.330 3.202 3.380 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 212 1 4 THR MG 1 5 ILE H 2.900 . 4.000 1.770 1.741 1.807 0.059 19 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 213 1 4 THR HA 1 5 ILE MD 3.900 . 6.000 6.004 5.865 6.093 0.093 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 214 1 4 THR HA 1 5 ILE HA 3.400 . 5.000 4.519 4.430 4.572 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 215 1 4 THR H 1 5 ILE H 3.900 . 6.000 3.591 3.405 3.911 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 216 1 4 THR HA 1 5 ILE MG 3.900 . 6.000 3.921 3.725 4.097 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 217 1 4 THR HA 1 5 ILE QG 3.900 . 6.000 4.406 4.257 4.506 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 218 1 5 ILE MD 1 6 TRP H 2.900 . 4.000 3.548 3.417 3.645 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 219 1 5 ILE MD 1 6 TRP HA 2.900 . 4.000 3.714 3.662 3.857 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 220 1 5 ILE HA 1 6 TRP H 3.400 . 5.000 3.459 3.441 3.499 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 221 1 5 ILE HB 1 6 TRP H 3.400 . 5.000 3.802 3.669 3.839 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 222 1 5 ILE H 1 6 TRP H 3.400 . 5.000 1.923 1.789 2.203 0.011 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 223 1 5 ILE MD 1 6 TRP HE3 3.400 . 5.000 2.315 2.255 2.433 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 224 1 5 ILE MD 1 6 TRP QB 3.400 . 5.000 4.652 4.548 4.733 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 225 1 5 ILE HA 1 6 TRP HA 3.400 . 5.000 4.957 4.945 4.980 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 226 1 5 ILE MD 1 6 TRP HZ2 3.900 . 6.000 5.707 5.607 5.841 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 227 1 5 ILE MG 1 6 TRP H 3.900 . 6.000 4.158 4.117 4.177 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 228 1 5 ILE MG 1 6 TRP HA 3.900 . 6.000 5.513 5.487 5.521 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 229 1 5 ILE HA 1 6 TRP HE3 3.900 . 6.000 5.050 5.030 5.083 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 230 1 5 ILE QG 1 6 TRP HA 3.900 . 6.000 3.790 3.750 3.813 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 231 1 5 ILE QG 1 6 TRP H 3.900 . 6.000 2.140 1.963 2.202 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 232 1 5 ILE MG 1 6 TRP HE3 3.900 . 6.000 4.796 4.736 4.846 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 233 1 5 ILE HB 1 6 TRP HA 3.900 . 6.000 4.458 4.384 4.472 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 234 1 5 ILE MD 1 6 TRP HH2 3.900 . 6.000 4.260 4.181 4.386 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 235 1 5 ILE MD 1 6 TRP HZ3 3.900 . 6.000 2.203 2.129 2.322 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 236 1 6 TRP H 1 7 GLU H 3.400 . 5.000 3.141 3.040 3.349 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 237 1 6 TRP QB 1 7 GLU H 3.400 . 5.000 2.293 2.083 2.407 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 238 1 6 TRP HA 1 7 GLU H 3.400 . 5.000 3.571 3.558 3.576 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 239 1 6 TRP HE3 1 7 GLU H 3.900 . 6.000 5.019 4.995 5.075 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 240 1 6 TRP H 1 7 GLU HA 3.900 . 6.000 5.622 5.560 5.746 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 241 1 6 TRP H 1 7 GLU QG 3.900 . 6.000 5.650 4.990 6.072 0.072 5 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 242 1 6 TRP HD1 1 7 GLU QG 3.900 . 6.000 5.449 4.771 6.020 0.020 5 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 243 1 7 GLU HA 1 8 VAL QG 3.400 . 5.000 4.343 4.221 4.454 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 244 1 7 GLU HA 1 8 VAL HA 3.400 . 5.000 4.588 4.546 4.609 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 245 1 7 GLU HA 1 8 VAL H 2.900 . 4.000 3.359 3.258 3.436 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 246 1 7 GLU H 1 8 VAL H 2.900 . 4.000 2.799 2.738 2.903 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 247 1 7 GLU H 1 8 VAL QG 3.400 . 5.000 3.640 3.422 4.131 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 248 1 7 GLU QB 1 8 VAL H 3.400 . 5.000 3.260 3.130 3.427 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 249 1 7 GLU QB 1 8 VAL QG 3.400 . 5.000 3.030 2.984 3.073 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 250 1 7 GLU QG 1 8 VAL QG 3.400 . 5.000 4.656 4.556 4.696 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 251 1 7 GLU H 1 8 VAL HA 3.900 . 6.000 5.352 5.300 5.436 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 252 1 7 GLU QG 1 8 VAL H 3.400 . 5.000 4.658 4.309 4.845 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 253 1 7 GLU QB 1 8 VAL HA 3.900 . 6.000 4.086 4.031 4.175 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 254 1 7 GLU QG 1 8 VAL HA 3.900 . 6.000 5.857 5.579 5.959 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 255 1 8 VAL HB 1 9 ILE H 2.900 . 4.000 2.736 2.680 2.889 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 256 1 8 VAL H 1 9 ILE H 3.400 . 5.000 2.137 1.961 2.233 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 257 1 8 VAL HB 1 9 ILE MD 3.900 . 6.000 5.355 5.284 5.462 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 258 1 8 VAL HB 1 9 ILE HB 3.900 . 6.000 4.123 4.085 4.294 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 259 1 8 VAL H 1 9 ILE MD 3.900 . 6.000 5.072 4.864 5.189 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 260 1 9 ILE MG 1 10 ALA H 2.900 . 4.000 1.896 1.870 1.973 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 261 1 9 ILE QG 1 10 ALA H 2.900 . 4.000 3.618 3.575 3.658 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 262 1 9 ILE HA 1 10 ALA MB 3.400 . 5.000 5.032 5.026 5.036 0.036 14 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 263 1 9 ILE MG 1 10 ALA MB 2.900 . 4.000 3.140 3.118 3.232 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 264 1 9 ILE MG 1 10 ALA HA 3.400 . 5.000 4.021 3.981 4.118 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 265 1 9 ILE HB 1 10 ALA H 2.900 . 4.000 4.050 4.037 4.079 0.079 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 266 1 9 ILE MD 1 10 ALA H 3.400 . 5.000 2.304 2.244 2.343 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 267 1 9 ILE MD 1 10 ALA MB 3.900 . 6.000 2.544 2.492 2.610 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 268 1 9 ILE MD 1 10 ALA HA 3.900 . 6.000 2.738 2.690 2.780 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 269 1 11 GLY QA 1 12 LEU H 2.900 . 4.000 2.875 2.870 2.880 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 270 1 12 LEU QD 1 13 VAL QG 2.300 . 2.800 2.702 2.550 2.789 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 271 1 12 LEU H 1 13 VAL H 2.900 . 4.000 2.065 2.051 2.080 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 272 1 12 LEU QB 1 13 VAL QG 2.900 . 4.000 2.612 2.549 2.724 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 273 1 12 LEU QB 1 13 VAL H 2.900 . 4.000 2.881 2.853 2.910 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 274 1 12 LEU HA 1 13 VAL QG 3.400 . 5.000 4.275 4.183 4.380 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 275 1 12 LEU QB 1 13 VAL HA 3.400 . 5.000 4.317 4.276 4.341 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 276 1 12 LEU H 1 13 VAL HA 3.400 . 5.000 4.825 4.812 4.838 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 277 1 12 LEU HG 1 13 VAL H 3.400 . 5.000 4.389 4.355 4.449 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 278 1 12 LEU H 1 13 VAL HB 3.400 . 5.000 4.413 4.335 4.498 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 279 1 12 LEU HA 1 13 VAL HA 3.400 . 5.000 4.569 4.557 4.578 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 280 1 12 LEU HG 1 13 VAL HA 3.400 . 5.000 4.433 4.401 4.528 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 281 1 12 LEU QB 1 13 VAL HB 3.900 . 6.000 4.390 4.348 4.434 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 282 1 13 VAL H 1 14 ALA H 2.900 . 4.000 2.259 2.239 2.291 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 283 1 13 VAL QG 1 14 ALA MB 2.900 . 4.000 3.920 3.873 3.961 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 284 1 13 VAL H 1 14 ALA MB 2.900 . 4.000 3.760 3.669 3.837 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 285 1 13 VAL HB 1 14 ALA H 2.900 . 4.000 2.307 2.220 2.394 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 286 1 13 VAL HA 1 14 ALA MB 3.400 . 5.000 5.017 4.999 5.028 0.028 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 287 1 13 VAL HB 1 14 ALA HA 3.400 . 5.000 4.194 4.134 4.267 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 288 1 13 VAL H 1 14 ALA HA 3.400 . 5.000 4.846 4.829 4.869 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 289 1 13 VAL HA 1 14 ALA HA 3.400 . 5.000 4.887 4.874 4.902 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 290 1 14 ALA MB 1 15 LEU H 2.900 . 4.000 2.435 2.250 2.538 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 291 1 14 ALA HA 1 15 LEU H 2.900 . 4.000 3.560 3.547 3.579 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 292 1 15 LEU HG 1 16 LEU HG 3.400 . 5.000 4.382 4.061 4.838 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 293 1 15 LEU HG 1 16 LEU H 2.900 . 4.000 4.026 4.002 4.079 0.079 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 294 1 15 LEU H 1 16 LEU HA 3.900 . 6.000 5.209 5.169 5.285 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 295 1 16 LEU HA 1 17 THR MG 3.900 . 6.000 5.975 5.914 6.034 0.034 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 296 1 16 LEU HA 1 17 THR HA 3.400 . 5.000 4.504 4.452 4.567 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 297 1 16 LEU HA 1 17 THR HB 3.900 . 6.000 5.456 5.287 5.570 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 298 1 16 LEU HA 1 17 THR H 2.900 . 4.000 3.233 3.100 3.363 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 299 1 16 LEU HG 1 17 THR HB 3.900 . 6.000 5.870 5.760 5.989 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 300 1 16 LEU QD 1 17 THR H 3.400 . 5.000 4.098 4.080 4.150 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 301 1 16 LEU QB 1 17 THR MG 3.900 . 6.000 5.255 5.113 5.333 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 302 1 16 LEU QB 1 17 THR H 3.400 . 5.000 3.465 3.218 3.647 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 303 1 16 LEU QD 1 17 THR HA 3.900 . 6.000 5.334 5.293 5.366 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 304 1 16 LEU QD 1 17 THR HB 3.900 . 6.000 5.470 5.404 5.534 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 305 1 16 LEU QB 1 17 THR HB 3.900 . 6.000 4.438 4.337 4.494 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 306 1 17 THR MG 1 18 PHE QB 2.900 . 4.000 3.530 3.291 4.021 0.021 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 307 1 17 THR HB 1 18 PHE H 2.900 . 4.000 2.360 2.005 3.190 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 308 1 17 THR H 1 18 PHE H 2.900 . 4.000 2.370 1.758 2.626 0.042 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 309 1 17 THR MG 1 18 PHE QD 2.900 . 4.000 3.800 3.544 3.998 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 310 1 17 THR HA 1 18 PHE H 2.900 . 4.000 3.565 3.461 3.573 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 311 1 17 THR MG 1 18 PHE HA 2.900 . 4.000 2.879 2.823 3.289 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 312 1 17 THR HA 1 18 PHE QB 3.900 . 6.000 5.205 5.153 5.222 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 313 1 17 THR HB 1 18 PHE QB 3.400 . 5.000 4.089 3.747 4.409 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 314 1 17 THR H 1 18 PHE QB 3.400 . 5.000 3.847 3.573 3.972 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 315 1 17 THR HA 1 18 PHE HA 3.400 . 5.000 4.870 4.730 4.917 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 316 1 17 THR H 1 18 PHE HA 3.900 . 6.000 4.835 4.503 4.978 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 317 1 17 THR MG 1 18 PHE QE 3.900 . 6.000 5.590 5.402 5.748 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 318 1 17 THR HB 1 18 PHE HA 3.900 . 6.000 4.558 4.326 4.742 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 319 1 17 THR H 1 18 PHE QD 3.900 . 6.000 5.776 5.362 5.909 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 320 1 18 PHE QB 1 19 LEU H 2.900 . 4.000 2.445 2.305 2.594 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 321 1 18 PHE QE 1 19 LEU QD 2.900 . 4.000 3.972 3.856 4.124 0.124 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 322 1 18 PHE QB 1 19 LEU QD 2.900 . 4.000 2.098 2.039 2.244 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 323 1 18 PHE H 1 19 LEU QD 2.900 . 4.000 3.816 3.649 4.076 0.076 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 324 1 18 PHE HA 1 19 LEU QD 3.400 . 5.000 4.003 3.926 4.106 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 325 1 18 PHE QD 1 19 LEU QB 3.400 . 5.000 4.981 4.908 5.024 0.024 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 326 1 18 PHE HA 1 19 LEU HA 3.400 . 5.000 4.728 4.686 4.753 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 327 1 18 PHE QB 1 19 LEU QB 3.400 . 5.000 4.091 3.992 4.259 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 328 1 18 PHE HZ 1 19 LEU QD 3.900 . 6.000 5.621 5.468 5.841 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 329 1 18 PHE H 1 19 LEU QB 3.400 . 5.000 4.835 4.758 4.890 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 330 1 18 PHE HA 1 19 LEU QB 3.900 . 6.000 5.417 5.396 5.634 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 331 1 19 LEU HA 1 20 ALA MB 3.400 . 5.000 4.980 4.903 5.020 0.020 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 332 1 19 LEU HA 1 20 ALA HA 3.400 . 5.000 4.811 4.613 4.955 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 333 1 19 LEU QB 1 20 ALA MB 3.400 . 5.000 3.869 3.772 3.986 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 334 1 20 ALA MB 1 21 PHE H 2.900 . 4.000 2.413 2.220 2.535 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 335 1 20 ALA MB 1 21 PHE QB 2.900 . 4.000 3.964 3.883 4.024 0.024 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 336 1 20 ALA MB 1 21 PHE QE 3.400 . 5.000 3.042 2.791 3.546 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 337 1 20 ALA HA 1 21 PHE QE 3.900 . 6.000 5.921 5.581 6.034 0.034 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 338 1 20 ALA MB 1 21 PHE HA 3.400 . 5.000 3.744 3.668 3.868 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 339 1 20 ALA HA 1 21 PHE H 3.400 . 5.000 3.568 3.547 3.580 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 340 1 20 ALA H 1 21 PHE HA 3.900 . 6.000 5.359 4.947 5.593 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 341 1 21 PHE QB 1 22 GLY H 2.900 . 4.000 2.621 2.407 2.780 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 342 1 21 PHE H 1 22 GLY H 2.900 . 4.000 2.405 2.248 2.571 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 343 1 21 PHE QB 1 22 GLY QA 3.400 . 5.000 3.639 3.581 3.692 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 344 1 21 PHE HA 1 22 GLY H 3.400 . 5.000 3.533 3.499 3.559 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 345 1 21 PHE QD 1 22 GLY H 3.400 . 5.000 4.044 3.895 4.148 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 346 1 21 PHE H 1 22 GLY QA 3.400 . 5.000 4.306 4.163 4.405 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 347 1 21 PHE QD 1 22 GLY QA 3.900 . 6.000 5.311 5.222 5.336 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 348 1 22 GLY QA 1 23 PHE H 2.900 . 4.000 2.642 2.545 2.694 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 349 1 22 GLY H 1 23 PHE H 2.900 . 4.000 2.817 2.704 3.050 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 350 1 22 GLY QA 1 23 PHE QB 3.400 . 5.000 4.313 4.239 4.361 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 351 1 22 GLY H 1 23 PHE QB 3.400 . 5.000 4.435 4.289 4.579 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 352 1 23 PHE QB 1 24 TRP H 2.900 . 4.000 2.972 2.072 3.283 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 353 1 23 PHE H 1 24 TRP H 2.900 . 4.000 2.795 2.659 3.243 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 354 1 23 PHE HA 1 24 TRP H 3.400 . 5.000 3.439 3.343 3.568 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 355 1 23 PHE H 1 24 TRP HA 3.900 . 6.000 5.386 5.278 5.681 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 356 1 23 PHE H 1 24 TRP QB 3.400 . 5.000 4.561 4.413 4.856 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 357 1 24 TRP HZ3 1 25 LEU QD 2.900 . 4.000 3.025 2.775 3.132 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 358 1 24 TRP HE3 1 25 LEU QB 3.400 . 5.000 4.050 3.907 4.195 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 359 1 24 TRP HH2 1 25 LEU QD 2.900 . 4.000 4.006 3.827 4.040 0.040 14 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 360 1 24 TRP H 1 25 LEU H 3.400 . 5.000 2.681 2.433 3.064 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 361 1 24 TRP QB 1 25 LEU H 3.400 . 5.000 2.033 1.910 2.244 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 362 1 24 TRP HA 1 25 LEU H 3.400 . 5.000 3.545 3.529 3.562 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 363 1 24 TRP HD1 1 25 LEU H 3.400 . 5.000 4.733 4.626 4.926 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 364 1 24 TRP HA 1 25 LEU HG 3.900 . 6.000 6.014 5.877 6.050 0.050 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 365 1 24 TRP HZ3 1 25 LEU HA 3.400 . 5.000 4.199 3.851 4.609 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 366 1 24 TRP HZ3 1 25 LEU QB 3.900 . 6.000 5.092 4.817 5.254 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 367 1 24 TRP HZ3 1 25 LEU H 3.900 . 6.000 4.649 4.436 4.912 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 368 1 24 TRP HZ3 1 25 LEU HG 3.900 . 6.000 3.037 2.717 3.195 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 369 1 24 TRP HE1 1 25 LEU QD 3.900 . 6.000 6.005 5.921 6.052 0.052 31 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 370 1 25 LEU QD 1 26 PHE H 3.400 . 5.000 3.881 3.709 4.019 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 371 1 25 LEU QB 1 26 PHE H 2.900 . 4.000 2.391 2.190 2.533 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 372 1 25 LEU QD 1 26 PHE QE 2.900 . 4.000 3.735 3.674 3.825 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 373 1 25 LEU QB 1 26 PHE QB 3.400 . 5.000 4.270 4.141 4.372 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 374 1 25 LEU H 1 26 PHE H 3.400 . 5.000 3.354 3.195 3.480 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 375 1 25 LEU HA 1 26 PHE H 3.400 . 5.000 3.577 3.565 3.586 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 376 1 25 LEU QD 1 26 PHE QB 3.900 . 6.000 5.183 5.066 5.296 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 377 1 25 LEU HG 1 26 PHE H 3.400 . 5.000 4.669 4.564 4.746 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 378 1 25 LEU HA 1 26 PHE QD 3.900 . 6.000 5.254 5.157 5.394 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 379 1 25 LEU HG 1 26 PHE QD 3.900 . 6.000 6.059 6.028 6.092 0.092 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 380 1 25 LEU HG 1 26 PHE QE 3.900 . 6.000 5.995 5.931 6.044 0.044 30 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 381 1 25 LEU H 1 26 PHE QB 3.900 . 6.000 5.543 5.417 5.614 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 382 1 25 LEU QB 1 26 PHE QE 3.900 . 6.000 3.397 3.319 3.520 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 383 1 25 LEU H 1 26 PHE QD 3.900 . 6.000 5.304 5.126 5.408 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 384 1 25 LEU H 1 26 PHE QE 3.900 . 6.000 5.781 5.567 5.983 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 385 1 26 PHE QD 1 27 LYS QG 3.400 . 5.000 4.006 3.648 5.119 0.119 18 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 386 1 26 PHE QD 1 27 LYS H 2.900 . 4.000 3.621 3.489 4.256 0.256 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 387 1 26 PHE QD 1 27 LYS HA 3.900 . 6.000 5.639 5.524 5.868 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 388 1 26 PHE H 1 27 LYS H 3.400 . 5.000 2.790 2.537 3.002 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 389 1 26 PHE QB 1 27 LYS H 3.400 . 5.000 2.081 1.829 3.025 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 390 1 26 PHE QD 1 27 LYS QD 3.400 . 5.000 4.120 2.844 5.005 0.005 5 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 391 1 26 PHE QB 1 27 LYS QD 3.900 . 6.000 2.968 2.077 4.585 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 392 1 26 PHE QB 1 27 LYS QG 3.900 . 6.000 3.042 2.682 4.108 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 393 1 26 PHE H 1 27 LYS QG 3.900 . 6.000 4.271 3.645 5.762 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 394 1 26 PHE QB 1 27 LYS HA 3.900 . 6.000 3.726 3.622 4.080 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 395 1 26 PHE QD 1 27 LYS QB 3.900 . 6.000 5.358 4.948 5.665 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 396 1 26 PHE QD 1 27 LYS QE 3.900 . 6.000 4.821 3.246 6.026 0.026 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 397 1 26 PHE QB 1 27 LYS QB 3.900 . 6.000 4.196 3.927 4.458 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 398 1 27 LYS HA 1 28 TYR H 2.900 . 4.000 3.273 2.911 3.418 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 399 1 27 LYS H 1 28 TYR H 3.400 . 5.000 2.931 2.783 3.218 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 400 1 27 LYS QB 1 28 TYR HA 3.400 . 5.000 4.266 4.083 4.538 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 401 1 27 LYS QB 1 28 TYR H 3.400 . 5.000 3.412 3.129 3.843 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 402 1 27 LYS QG 1 28 TYR H 3.400 . 5.000 4.296 3.513 4.971 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 403 1 27 LYS QB 1 28 TYR QB 3.400 . 5.000 3.861 3.765 3.990 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 404 1 27 LYS QG 1 28 TYR HA 3.900 . 6.000 5.894 5.376 6.060 0.060 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 405 1 27 LYS H 1 28 TYR HA 3.900 . 6.000 5.445 5.068 5.513 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 406 1 27 LYS H 1 28 TYR QB 3.900 . 6.000 4.497 3.732 4.649 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 407 1 27 LYS QZ 1 28 TYR H 3.900 . 6.000 5.868 4.411 6.192 0.192 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 408 1 28 TYR QD 1 29 LEU H 2.900 . 4.000 2.840 2.530 3.268 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 409 1 28 TYR H 1 29 LEU H 2.900 . 4.000 2.073 1.817 2.211 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 410 1 28 TYR HA 1 29 LEU H 3.400 . 5.000 3.560 3.521 3.579 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 411 1 28 TYR QB 1 29 LEU H 3.400 . 5.000 2.859 2.731 3.036 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 412 1 28 TYR QE 1 29 LEU H 3.400 . 5.000 4.309 4.091 4.749 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 413 1 28 TYR QD 1 29 LEU HG 3.400 . 5.000 4.575 3.744 5.194 0.194 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 414 1 28 TYR QE 1 29 LEU QB 3.400 . 5.000 2.937 2.554 3.375 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 415 1 28 TYR QE 1 29 LEU HG 3.900 . 6.000 3.739 2.605 5.480 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 416 1 29 LEU H 1 30 GLN H 2.900 . 4.000 2.316 2.102 2.447 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 417 1 29 LEU QD 1 30 GLN H 2.900 . 4.000 3.679 3.139 4.016 0.016 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 418 1 29 LEU HA 1 30 GLN H 2.900 . 4.000 3.533 3.455 3.554 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 419 1 29 LEU QB 1 30 GLN H 2.900 . 4.000 2.650 2.432 3.397 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 420 1 29 LEU HG 1 30 GLN H 3.400 . 5.000 4.737 2.288 5.047 0.047 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 421 1 29 LEU H 1 30 GLN QG 3.900 . 6.000 5.901 5.705 6.011 0.011 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 422 1 30 GLN HA 1 31 LYS H 2.900 . 4.000 3.369 3.030 3.520 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 423 1 30 GLN H 1 31 LYS H 2.900 . 4.000 2.483 2.260 2.811 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 424 1 30 GLN QE 1 31 LYS QZ 2.900 . 4.000 3.183 2.443 4.029 0.029 32 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 425 1 30 GLN QB 1 31 LYS H 2.900 . 4.000 3.195 2.628 3.747 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 426 1 30 GLN H 1 31 LYS HA 3.900 . 6.000 5.118 4.921 5.401 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 427 1 30 GLN QB 1 31 LYS HA 3.900 . 6.000 4.527 4.044 4.756 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 428 1 30 GLN H 1 31 LYS QD 3.900 . 6.000 3.665 3.380 4.077 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 429 1 30 GLN H 1 31 LYS QG 3.900 . 6.000 5.542 4.924 5.897 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 430 1 30 GLN QG 1 31 LYS HA 3.900 . 6.000 3.870 3.569 4.221 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 431 1 31 LYS HA 1 32 LYS H 2.900 . 4.000 2.999 2.271 3.562 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 432 1 31 LYS H 1 32 LYS H 2.900 . 4.000 2.733 1.956 3.835 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 433 1 31 LYS QB 1 32 LYS H 3.400 . 5.000 3.403 2.480 3.935 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 434 1 31 LYS H 1 32 LYS HA 3.400 . 5.000 4.749 4.295 5.074 0.074 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 435 1 31 LYS QG 1 32 LYS H 3.400 . 5.000 4.633 4.333 4.934 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 436 1 2 LYS QE 1 4 THR MG 3.900 . 6.000 5.915 5.198 6.060 0.060 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 437 1 3 HIS HE1 1 5 ILE H 3.900 . 6.000 5.857 3.610 6.135 0.135 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 438 1 4 THR HA 1 6 TRP H 3.400 . 5.000 4.899 4.815 5.016 0.016 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 439 1 4 THR MG 1 6 TRP HE1 3.900 . 6.000 5.973 5.874 6.035 0.035 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 440 1 4 THR MG 1 6 TRP HA 3.900 . 6.000 4.023 3.855 4.188 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 441 1 4 THR MG 1 6 TRP QB 3.900 . 6.000 2.303 2.186 2.388 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 442 1 4 THR HA 1 6 TRP QB 3.900 . 6.000 5.786 5.647 5.964 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 443 1 5 ILE MD 1 7 GLU H 3.900 . 6.000 5.883 5.802 5.996 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 444 1 5 ILE HB 1 7 GLU H 3.900 . 6.000 5.848 5.718 6.085 0.085 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 445 1 5 ILE H 1 7 GLU H 3.900 . 6.000 4.451 4.318 4.796 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 446 1 6 TRP H 1 8 VAL H 3.400 . 5.000 3.897 3.873 3.925 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 447 1 6 TRP HA 1 8 VAL H 3.900 . 6.000 3.571 3.454 3.673 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 448 1 6 TRP H 1 8 VAL HB 3.900 . 6.000 5.195 5.083 5.219 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 449 1 6 TRP QB 1 8 VAL H 3.900 . 6.000 4.043 3.968 4.109 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 450 1 7 GLU H 1 9 ILE H 3.900 . 6.000 4.415 4.359 4.472 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 451 1 8 VAL HB 1 10 ALA MB 3.900 . 6.000 5.960 5.944 5.977 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 452 1 8 VAL HB 1 10 ALA H 3.400 . 5.000 4.758 4.729 4.832 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 453 1 8 VAL H 1 10 ALA H 3.900 . 6.000 3.449 3.201 3.570 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 454 1 11 GLY QA 1 13 VAL H 3.400 . 5.000 4.013 3.998 4.036 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 455 1 11 GLY H 1 13 VAL H 3.400 . 5.000 4.066 4.052 4.084 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 456 1 12 LEU H 1 14 ALA H 2.900 . 4.000 3.798 3.748 3.859 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 457 1 13 VAL HA 1 15 LEU H 3.400 . 5.000 4.327 4.190 4.537 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 458 1 13 VAL HA 1 15 LEU QD 3.900 . 6.000 5.897 5.640 6.005 0.005 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 459 1 13 VAL H 1 15 LEU H 3.400 . 5.000 3.541 3.378 3.788 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 460 1 13 VAL H 1 15 LEU QB 3.400 . 5.000 4.567 4.384 4.840 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 461 1 13 VAL HB 1 15 LEU H 3.900 . 6.000 4.932 4.796 5.139 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 462 1 15 LEU H 1 17 THR H 3.400 . 5.000 3.778 3.674 3.980 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 463 1 15 LEU QD 1 17 THR H 3.400 . 5.000 4.783 4.656 4.975 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 464 1 15 LEU HA 1 17 THR H 3.900 . 6.000 3.724 3.618 3.857 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 465 1 15 LEU HG 1 17 THR H 3.900 . 6.000 5.244 5.061 5.494 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 466 1 15 LEU H 1 17 THR HB 3.900 . 6.000 4.870 4.723 5.113 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 467 1 19 LEU QD 1 21 PHE H 3.400 . 5.000 5.021 4.966 5.059 0.059 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 468 1 19 LEU HA 1 21 PHE H 3.400 . 5.000 4.675 4.195 4.851 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 469 1 19 LEU QB 1 21 PHE H 3.900 . 6.000 4.898 4.617 5.151 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 470 1 20 ALA H 1 22 GLY H 3.400 . 5.000 3.901 3.342 4.354 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 471 1 20 ALA HA 1 22 GLY H 3.900 . 6.000 4.771 4.574 5.005 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 472 1 21 PHE H 1 23 PHE H 3.400 . 5.000 4.183 3.965 4.367 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 473 1 21 PHE H 1 23 PHE QB 3.400 . 5.000 4.914 4.627 5.012 0.012 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 474 1 21 PHE HA 1 23 PHE H 3.900 . 6.000 4.481 4.177 4.848 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 475 1 22 GLY H 1 24 TRP H 3.400 . 5.000 4.081 3.714 4.889 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 476 1 22 GLY QA 1 24 TRP HE3 3.900 . 6.000 5.559 5.444 5.682 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 477 1 23 PHE H 1 25 LEU H 3.400 . 5.000 4.948 4.736 5.061 0.061 33 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 478 1 23 PHE HA 1 25 LEU H 3.900 . 6.000 5.637 5.294 5.781 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 479 1 23 PHE H 1 25 LEU QB 3.900 . 6.000 5.071 4.595 5.258 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 480 1 24 TRP H 1 26 PHE H 3.400 . 5.000 4.103 3.664 4.939 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 481 1 24 TRP H 1 26 PHE QB 3.900 . 6.000 5.439 5.090 6.049 0.049 18 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 482 1 24 TRP HE3 1 26 PHE H 3.900 . 6.000 5.808 5.648 5.937 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 483 1 25 LEU H 1 27 LYS H 3.900 . 6.000 4.946 4.036 5.374 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 484 1 26 PHE H 1 28 TYR H 3.400 . 5.000 3.888 3.706 4.445 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 485 1 26 PHE QD 1 28 TYR H 3.900 . 6.000 5.272 5.223 5.617 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 486 1 26 PHE QB 1 28 TYR H 3.900 . 6.000 4.084 3.997 4.669 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 487 1 27 LYS HA 1 29 LEU H 3.900 . 6.000 5.036 4.763 5.236 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 488 1 27 LYS H 1 29 LEU H 3.900 . 6.000 4.560 4.212 4.824 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 489 1 28 TYR HA 1 30 GLN H 3.400 . 5.000 4.908 4.476 5.050 0.050 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 490 1 28 TYR QD 1 30 GLN H 3.400 . 5.000 4.888 4.612 5.116 0.116 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 491 1 28 TYR H 1 30 GLN H 3.900 . 6.000 3.107 2.531 3.579 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 492 1 28 TYR QB 1 30 GLN QB 3.900 . 6.000 5.881 5.656 5.984 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 493 1 28 TYR QB 1 30 GLN H 3.900 . 6.000 4.801 4.579 4.965 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 494 1 29 LEU HA 1 31 LYS H 2.900 . 4.000 3.852 3.455 4.039 0.039 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 495 1 29 LEU HA 1 31 LYS QD 3.900 . 6.000 6.045 5.902 6.166 0.166 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 496 1 29 LEU H 1 31 LYS QB 3.400 . 5.000 4.638 4.260 5.058 0.058 48 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 497 1 29 LEU H 1 31 LYS H 3.900 . 6.000 3.552 3.427 4.041 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 498 1 30 GLN HA 1 32 LYS H 3.400 . 5.000 4.343 3.485 5.038 0.038 48 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 499 1 30 GLN H 1 32 LYS H 3.900 . 6.000 4.668 4.009 5.888 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 500 1 30 GLN QB 1 32 LYS H 3.900 . 6.000 5.144 4.561 5.940 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 501 1 30 GLN QB 1 32 LYS QE 3.900 . 6.000 5.925 4.879 6.152 0.152 33 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 502 1 3 HIS HD2 1 6 TRP HE3 3.900 . 6.000 5.925 5.548 6.043 0.043 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 503 1 4 THR MG 1 7 GLU QB 3.400 . 5.000 4.296 4.107 4.617 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 504 1 4 THR MG 1 7 GLU H 3.400 . 5.000 3.334 3.156 3.505 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 505 1 4 THR H 1 7 GLU QB 3.400 . 5.000 4.161 3.250 5.121 0.121 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 506 1 4 THR H 1 7 GLU QG 3.400 . 5.000 4.983 4.251 5.042 0.042 24 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 507 1 4 THR MG 1 7 GLU QG 3.900 . 6.000 4.921 4.223 5.306 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 508 1 4 THR H 1 7 GLU H 3.900 . 6.000 4.035 3.252 4.943 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 509 1 5 ILE HA 1 8 VAL HB 2.900 . 4.000 2.883 2.693 2.921 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 510 1 5 ILE HB 1 8 VAL QG 2.900 . 4.000 3.696 3.623 3.843 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 511 1 5 ILE HA 1 8 VAL H 2.900 . 4.000 3.419 3.341 3.549 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 512 1 5 ILE MG 1 8 VAL HB 2.900 . 4.000 3.622 3.562 3.734 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 513 1 5 ILE MD 1 8 VAL HB 3.400 . 5.000 4.796 4.731 5.015 0.015 25 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 514 1 5 ILE HB 1 8 VAL HB 3.900 . 6.000 3.334 3.238 3.570 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 515 1 5 ILE MG 1 8 VAL H 3.900 . 6.000 4.935 4.879 5.025 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 516 1 5 ILE QG 1 8 VAL HB 3.900 . 6.000 5.050 4.987 5.149 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 517 1 5 ILE MD 1 8 VAL H 3.900 . 6.000 5.215 5.177 5.326 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 518 1 5 ILE QG 1 8 VAL H 3.900 . 6.000 4.976 4.959 4.996 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 519 1 5 ILE H 1 8 VAL HB 3.900 . 6.000 5.509 5.331 5.552 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 520 1 6 TRP HA 1 9 ILE MD 2.900 . 4.000 3.071 2.917 3.132 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 521 1 6 TRP HE3 1 9 ILE MG 2.900 . 4.000 2.985 2.965 2.998 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 522 1 6 TRP HE3 1 9 ILE MD 2.900 . 4.000 3.483 3.314 3.531 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 523 1 6 TRP HA 1 9 ILE MG 2.900 . 4.000 2.337 2.305 2.379 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 524 1 6 TRP HE3 1 9 ILE HB 3.900 . 6.000 6.017 5.989 6.032 0.032 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 525 1 6 TRP HZ3 1 9 ILE MG 3.400 . 5.000 3.636 3.602 3.706 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 526 1 6 TRP HA 1 9 ILE HB 3.900 . 6.000 5.346 5.309 5.393 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 527 1 6 TRP HZ3 1 9 ILE MD 3.400 . 5.000 3.289 3.135 3.367 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 528 1 6 TRP HA 1 9 ILE H 3.400 . 5.000 3.149 3.114 3.173 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 529 1 6 TRP HA 1 9 ILE HA 3.900 . 6.000 5.462 5.418 5.519 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 530 1 6 TRP HD1 1 9 ILE MD 3.900 . 6.000 5.696 5.629 5.855 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 531 1 6 TRP H 1 9 ILE MD 3.400 . 5.000 4.987 4.774 5.011 0.011 10 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 532 1 6 TRP HE3 1 9 ILE H 3.400 . 5.000 4.754 4.729 4.777 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 533 1 6 TRP HE3 1 9 ILE QG 3.900 . 6.000 5.524 5.401 5.559 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 534 1 6 TRP HD1 1 9 ILE MG 3.900 . 6.000 5.951 5.916 6.015 0.015 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 535 1 6 TRP QB 1 9 ILE MG 3.900 . 6.000 4.222 4.193 4.243 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 536 1 6 TRP H 1 9 ILE H 3.900 . 6.000 4.527 4.453 4.560 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 537 1 6 TRP H 1 9 ILE MG 3.900 . 6.000 3.699 3.604 3.730 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 538 1 6 TRP QB 1 9 ILE MD 3.900 . 6.000 4.801 4.693 4.869 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 539 1 6 TRP HH2 1 9 ILE MD 3.900 . 6.000 4.048 3.961 4.214 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 540 1 6 TRP HZ2 1 9 ILE MD 3.900 . 6.000 4.727 4.641 4.942 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 541 1 6 TRP QB 1 9 ILE H 3.900 . 6.000 4.687 4.608 4.736 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 542 1 6 TRP HE1 1 9 ILE MD 3.900 . 6.000 5.403 5.315 5.611 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 543 1 6 TRP HA 1 9 ILE QG 3.900 . 6.000 4.976 4.878 5.031 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 544 1 7 GLU QB 1 10 ALA MB 3.400 . 5.000 5.090 5.072 5.119 0.119 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 545 1 7 GLU H 1 10 ALA MB 3.900 . 6.000 3.870 3.700 3.973 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 546 1 7 GLU QG 1 10 ALA MB 3.900 . 6.000 4.780 4.296 5.210 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 547 1 7 GLU H 1 10 ALA H 3.900 . 6.000 4.576 4.521 4.598 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 548 1 9 ILE QG 1 12 LEU QB 3.400 . 5.000 4.186 4.086 4.280 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 549 1 9 ILE MD 1 12 LEU QB 3.400 . 5.000 4.914 4.845 4.970 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 550 1 10 ALA HA 1 13 VAL QG 2.900 . 4.000 3.617 3.548 3.682 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 551 1 10 ALA HA 1 13 VAL HB 2.900 . 4.000 2.768 2.668 2.884 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 552 1 10 ALA MB 1 13 VAL H 2.900 . 4.000 4.048 4.040 4.055 0.055 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 553 1 10 ALA HA 1 13 VAL H 2.900 . 4.000 2.832 2.821 2.841 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 554 1 10 ALA MB 1 13 VAL HB 3.400 . 5.000 4.379 4.300 4.472 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 555 1 10 ALA HA 1 13 VAL HA 3.400 . 5.000 5.043 5.032 5.056 0.056 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 556 1 11 GLY H 1 14 ALA H 3.400 . 5.000 4.564 4.547 4.595 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 557 1 11 GLY QA 1 14 ALA H 3.400 . 5.000 4.428 4.287 4.570 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 558 1 12 LEU HA 1 15 LEU H 3.400 . 5.000 4.839 4.754 4.898 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 559 1 12 LEU HA 1 15 LEU QB 2.900 . 4.000 4.020 3.996 4.040 0.040 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 560 1 13 VAL HA 1 16 LEU QD 2.900 . 4.000 2.962 2.739 3.056 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 561 1 13 VAL HA 1 16 LEU QB 2.900 . 4.000 2.404 2.377 2.443 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 562 1 13 VAL QG 1 16 LEU QB 2.900 . 4.000 3.118 3.057 3.222 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 563 1 13 VAL H 1 16 LEU QD 3.400 . 5.000 4.454 4.416 4.561 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 564 1 13 VAL HA 1 16 LEU HA 3.400 . 5.000 5.045 5.031 5.059 0.059 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 565 1 13 VAL HB 1 16 LEU QD 3.900 . 6.000 5.296 5.139 5.390 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 566 1 13 VAL H 1 16 LEU QB 3.400 . 5.000 4.937 4.872 5.005 0.005 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 567 1 13 VAL HB 1 16 LEU QB 3.900 . 6.000 5.128 5.090 5.159 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 568 1 14 ALA HA 1 17 THR HB 2.900 . 4.000 2.361 2.310 2.539 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 569 1 14 ALA MB 1 17 THR H 3.400 . 5.000 4.295 4.241 4.404 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 570 1 14 ALA HA 1 17 THR H 3.400 . 5.000 3.307 3.246 3.484 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 571 1 14 ALA HA 1 17 THR HA 3.400 . 5.000 5.064 5.028 5.092 0.092 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 572 1 15 LEU HA 1 18 PHE QB 2.900 . 4.000 3.515 3.245 4.034 0.034 48 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 573 1 15 LEU QD 1 18 PHE QD 3.400 . 5.000 4.958 4.687 5.037 0.037 25 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 574 1 15 LEU QD 1 18 PHE QB 2.900 . 4.000 4.021 3.859 4.050 0.050 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 575 1 15 LEU HA 1 18 PHE H 3.400 . 5.000 4.331 3.662 4.886 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 576 1 15 LEU H 1 18 PHE QB 3.400 . 5.000 4.536 4.379 4.598 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 577 1 15 LEU QB 1 18 PHE QB 3.900 . 6.000 5.083 4.895 5.537 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 578 1 16 LEU QB 1 19 LEU QD 3.900 . 6.000 5.835 5.018 6.099 0.099 21 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 579 1 16 LEU QD 1 19 LEU QB 3.400 . 5.000 4.510 4.326 4.950 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 580 1 17 THR HA 1 20 ALA MB 2.300 . 2.800 2.323 2.115 2.510 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 581 1 17 THR HA 1 20 ALA HA 3.900 . 6.000 5.128 4.792 5.484 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 582 1 17 THR H 1 20 ALA MB 3.400 . 5.000 3.980 3.276 4.282 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 583 1 17 THR HB 1 20 ALA MB 3.400 . 5.000 4.826 4.509 5.007 0.007 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 584 1 18 PHE HA 1 21 PHE H 3.400 . 5.000 4.021 3.665 4.409 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 585 1 18 PHE H 1 21 PHE H 3.900 . 6.000 4.822 4.653 5.081 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 586 1 18 PHE H 1 21 PHE QD 3.900 . 6.000 4.868 4.620 5.096 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 587 1 19 LEU HA 1 22 GLY QA 3.900 . 6.000 3.370 2.833 4.019 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 588 1 19 LEU HA 1 22 GLY H 3.400 . 5.000 3.614 3.174 4.077 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 589 1 20 ALA HA 1 23 PHE QB 2.900 . 4.000 3.378 2.943 3.789 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 590 1 20 ALA MB 1 23 PHE QB 3.400 . 5.000 4.618 4.272 4.881 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 591 1 20 ALA HA 1 23 PHE H 3.400 . 5.000 4.214 3.965 4.390 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 592 1 20 ALA MB 1 23 PHE H 3.400 . 5.000 4.976 4.825 5.053 0.053 18 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 593 1 20 ALA H 1 23 PHE H 3.400 . 5.000 4.582 4.239 4.751 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 594 1 20 ALA HA 1 23 PHE QD 3.400 . 5.000 4.035 3.891 4.521 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 595 1 20 ALA HA 1 23 PHE QE 3.900 . 6.000 6.033 6.007 6.080 0.080 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 596 1 21 PHE QB 1 24 TRP H 3.900 . 6.000 4.678 4.353 5.343 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 597 1 21 PHE HA 1 24 TRP QB 3.400 . 5.000 2.948 2.629 3.276 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 598 1 21 PHE HA 1 24 TRP H 3.400 . 5.000 3.640 3.414 3.899 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 599 1 22 GLY QA 1 25 LEU HA 3.900 . 6.000 5.141 5.020 5.304 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 600 1 22 GLY QA 1 25 LEU H 3.400 . 5.000 3.753 3.517 3.982 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 601 1 22 GLY H 1 25 LEU QD 3.400 . 5.000 3.883 3.169 4.297 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 602 1 22 GLY H 1 25 LEU QB 3.400 . 5.000 4.416 4.231 4.561 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 603 1 22 GLY QA 1 25 LEU HG 3.400 . 5.000 4.577 4.219 4.826 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 604 1 22 GLY H 1 25 LEU HG 3.900 . 6.000 5.818 5.288 6.022 0.022 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 605 1 23 PHE HA 1 26 PHE QB 3.400 . 5.000 4.547 4.224 4.690 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 606 1 23 PHE HA 1 26 PHE QD 3.400 . 5.000 3.774 3.078 4.087 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 607 1 23 PHE HA 1 26 PHE H 3.400 . 5.000 4.935 4.548 5.083 0.083 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 608 1 23 PHE H 1 26 PHE QB 3.900 . 6.000 5.971 5.810 6.054 0.054 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 609 1 23 PHE H 1 26 PHE H 3.900 . 6.000 5.375 5.159 5.479 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 610 1 23 PHE H 1 26 PHE QD 3.900 . 6.000 4.616 4.372 4.745 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 611 1 24 TRP H 1 27 LYS QG 3.900 . 6.000 4.656 3.856 6.048 0.048 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 612 1 24 TRP H 1 27 LYS H 3.900 . 6.000 4.675 4.185 5.198 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 613 1 25 LEU QD 1 28 TYR QB 3.400 . 5.000 4.840 4.702 4.984 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 614 1 25 LEU HA 1 28 TYR QD 2.900 . 4.000 2.334 2.288 2.404 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 615 1 25 LEU HA 1 28 TYR QB 2.900 . 4.000 3.617 3.474 3.740 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 616 1 25 LEU HA 1 28 TYR QE 3.400 . 5.000 3.818 3.589 3.953 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 617 1 25 LEU QB 1 28 TYR QD 3.900 . 6.000 4.443 4.360 4.530 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 618 1 25 LEU QB 1 28 TYR QE 3.900 . 6.000 5.483 5.197 5.614 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 619 1 25 LEU H 1 28 TYR H 3.900 . 6.000 5.109 4.690 5.800 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 620 1 26 PHE QD 1 29 LEU QB 3.400 . 5.000 4.383 4.097 5.153 0.153 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 621 1 26 PHE QB 1 29 LEU QB 3.900 . 6.000 5.111 4.908 5.862 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 622 1 26 PHE QD 1 29 LEU H 3.900 . 6.000 5.249 5.023 5.861 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 623 1 26 PHE H 1 29 LEU H 3.900 . 6.000 4.422 4.198 4.915 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 624 1 27 LYS HA 1 30 GLN QB 3.400 . 5.000 4.100 3.236 4.436 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 625 1 27 LYS QZ 1 30 GLN QG 3.900 . 6.000 5.372 4.549 6.046 0.046 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 626 1 27 LYS HA 1 30 GLN QG 3.400 . 5.000 5.025 4.821 5.060 0.060 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 627 1 27 LYS HA 1 30 GLN H 3.400 . 5.000 4.726 4.437 5.013 0.013 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 628 1 27 LYS HA 1 30 GLN QE 3.900 . 6.000 5.769 5.439 6.019 0.019 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 629 1 27 LYS H 1 30 GLN H 3.900 . 6.000 4.624 4.428 4.931 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 630 1 28 TYR QB 1 31 LYS QB 3.900 . 6.000 4.830 4.416 5.554 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 631 1 29 LEU HA 1 32 LYS QG 2.900 . 4.000 2.824 2.109 4.148 0.148 24 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 632 1 29 LEU H 1 32 LYS QB 3.900 . 6.000 5.649 5.025 6.188 0.188 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 633 1 29 LEU QD 1 32 LYS H 3.900 . 6.000 4.891 3.552 6.067 0.067 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 634 1 3 HIS QB 1 7 GLU QB 3.900 . 6.000 2.738 2.283 3.701 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 635 1 3 HIS HA 1 7 GLU QG 3.900 . 6.000 5.669 4.489 6.024 0.024 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 636 1 4 THR MG 1 8 VAL QG 3.400 . 5.000 4.453 4.232 4.715 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 637 1 4 THR MG 1 8 VAL HB 3.900 . 6.000 5.938 5.799 6.014 0.014 33 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 638 1 5 ILE MG 1 9 ILE MD 3.900 . 6.000 5.339 5.130 5.384 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 639 1 5 ILE MD 1 9 ILE MG 2.900 . 4.000 2.163 2.147 2.239 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 640 1 5 ILE HA 1 9 ILE H 3.400 . 5.000 4.284 4.213 4.338 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 641 1 5 ILE QG 1 9 ILE MD 3.400 . 5.000 4.571 4.466 4.616 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 642 1 5 ILE HB 1 9 ILE MD 3.400 . 5.000 4.386 4.127 4.438 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 643 1 5 ILE HA 1 9 ILE MD 3.900 . 6.000 5.983 5.763 6.019 0.019 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 644 1 5 ILE HB 1 9 ILE H 3.400 . 5.000 3.953 3.906 4.036 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 645 1 5 ILE MD 1 9 ILE HB 3.400 . 5.000 4.391 4.359 4.571 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 646 1 5 ILE MD 1 9 ILE H 3.400 . 5.000 4.477 4.429 4.599 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 647 1 5 ILE QG 1 9 ILE H 3.400 . 5.000 5.016 4.994 5.059 0.059 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 648 1 5 ILE MD 1 9 ILE HA 3.900 . 6.000 5.857 5.829 5.987 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 649 1 5 ILE H 1 9 ILE MD 3.900 . 6.000 6.066 6.054 6.083 0.083 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 650 1 6 TRP HA 1 10 ALA H 3.400 . 5.000 2.128 2.083 2.205 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 651 1 6 TRP HE3 1 10 ALA MB 3.400 . 5.000 3.454 3.417 3.490 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 652 1 6 TRP HE3 1 10 ALA H 3.400 . 5.000 4.088 4.063 4.130 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 653 1 6 TRP HA 1 10 ALA MB 3.900 . 6.000 2.095 2.077 2.127 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 654 1 6 TRP HA 1 10 ALA HA 3.900 . 6.000 4.190 4.146 4.236 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 655 1 6 TRP HZ3 1 10 ALA MB 3.900 . 6.000 4.584 4.526 4.629 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 656 1 6 TRP HD1 1 10 ALA H 3.900 . 6.000 5.412 5.369 5.513 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 657 1 6 TRP H 1 10 ALA MB 3.900 . 6.000 4.187 4.156 4.224 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 658 1 6 TRP HD1 1 10 ALA MB 3.900 . 6.000 2.671 2.623 2.800 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 659 1 7 GLU QB 1 11 GLY H 3.900 . 6.000 4.598 4.507 4.641 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 660 1 7 GLU QG 1 11 GLY H 3.900 . 6.000 4.289 3.984 4.656 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 661 1 8 VAL QG 1 12 LEU QB 2.900 . 4.000 3.940 3.880 4.005 0.005 38 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 662 1 9 ILE HA 1 13 VAL H 2.900 . 4.000 4.027 4.016 4.051 0.051 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 663 1 9 ILE MG 1 13 VAL HB 3.900 . 6.000 5.088 5.022 5.213 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 664 1 9 ILE MG 1 13 VAL H 3.900 . 6.000 5.160 5.136 5.217 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 665 1 9 ILE H 1 13 VAL HB 3.900 . 6.000 6.040 6.012 6.056 0.056 39 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 666 1 9 ILE HA 1 13 VAL HB 3.900 . 6.000 4.482 4.426 4.569 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 667 1 10 ALA H 1 14 ALA MB 3.400 . 5.000 4.679 4.472 4.934 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 668 1 10 ALA HA 1 14 ALA H 2.900 . 4.000 1.997 1.841 2.178 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 669 1 11 GLY QA 1 15 LEU H 2.900 . 4.000 3.313 3.181 3.463 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 670 1 12 LEU HA 1 16 LEU HG 2.900 . 4.000 3.776 3.637 3.889 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 671 1 12 LEU QB 1 16 LEU H 3.900 . 6.000 5.948 5.876 6.001 0.001 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 672 1 12 LEU HG 1 16 LEU H 3.900 . 6.000 5.992 5.919 6.016 0.016 32 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 673 1 13 VAL QG 1 17 THR H 2.900 . 4.000 3.908 3.703 4.005 0.005 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 674 1 13 VAL QG 1 17 THR HA 3.400 . 5.000 4.271 4.109 4.391 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 675 1 13 VAL QG 1 17 THR HB 2.900 . 4.000 2.578 2.292 2.746 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 676 1 13 VAL HA 1 17 THR H 3.400 . 5.000 4.366 4.103 4.612 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 677 1 13 VAL HA 1 17 THR HB 3.900 . 6.000 4.415 4.232 4.581 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 678 1 14 ALA HA 1 18 PHE H 2.900 . 4.000 2.461 1.936 3.439 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 679 1 14 ALA MB 1 18 PHE QD 2.900 . 4.000 3.920 3.634 4.028 0.028 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 680 1 14 ALA MB 1 18 PHE QE 3.900 . 6.000 5.436 5.148 5.612 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 681 1 14 ALA MB 1 18 PHE QB 3.400 . 5.000 2.728 2.163 3.200 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 682 1 14 ALA MB 1 18 PHE HA 3.400 . 5.000 4.913 4.597 5.115 0.115 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 683 1 14 ALA HA 1 18 PHE QD 3.900 . 6.000 4.553 4.387 4.794 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 684 1 14 ALA HA 1 18 PHE QB 3.900 . 6.000 3.035 2.289 3.581 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 685 1 14 ALA HA 1 18 PHE HA 3.900 . 6.000 4.645 4.234 4.925 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 686 1 15 LEU HG 1 19 LEU HG 3.400 . 5.000 4.472 3.793 5.103 0.103 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 687 1 15 LEU QD 1 19 LEU QB 2.900 . 4.000 3.588 3.328 4.012 0.012 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 688 1 15 LEU HG 1 19 LEU QB 3.900 . 6.000 4.606 4.039 5.239 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 689 1 17 THR MG 1 21 PHE QD 2.900 . 4.000 2.446 2.279 3.147 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 690 1 17 THR MG 1 21 PHE H 3.400 . 5.000 3.586 3.301 4.318 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 691 1 17 THR HA 1 21 PHE H 3.400 . 5.000 3.575 3.481 3.684 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 692 1 17 THR HA 1 21 PHE QD 3.400 . 5.000 2.745 2.341 3.722 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 693 1 17 THR HA 1 21 PHE HA 3.900 . 6.000 6.022 5.890 6.116 0.116 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 694 1 19 LEU HA 1 23 PHE HA 3.400 . 5.000 5.064 5.011 5.126 0.126 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 695 1 19 LEU QD 1 23 PHE H 3.400 . 5.000 3.977 3.750 4.779 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 696 1 21 PHE QB 1 25 LEU QB 3.400 . 5.000 3.803 3.659 4.090 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 697 1 21 PHE H 1 25 LEU H 3.900 . 6.000 5.985 5.707 6.070 0.070 31 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 698 1 21 PHE HA 1 25 LEU H 3.400 . 5.000 3.789 3.500 3.981 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 699 1 21 PHE HA 1 25 LEU QD 3.900 . 6.000 3.961 3.590 4.240 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 700 1 21 PHE H 1 25 LEU QB 3.900 . 6.000 6.000 5.866 6.038 0.038 32 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 701 1 22 GLY QA 1 26 PHE H 3.400 . 5.000 3.358 3.170 3.682 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 702 1 22 GLY QA 1 26 PHE QB 3.900 . 6.000 4.528 4.305 4.959 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 703 1 22 GLY H 1 26 PHE H 3.900 . 6.000 5.901 5.778 6.074 0.074 18 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 704 1 23 PHE HZ 1 27 LYS QE 3.400 . 5.000 4.842 3.331 5.017 0.017 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 705 1 23 PHE HZ 1 27 LYS QG 3.900 . 6.000 5.837 4.552 6.055 0.055 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 706 1 23 PHE HA 1 27 LYS H 3.400 . 5.000 4.258 4.020 4.635 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 707 1 24 TRP HZ2 1 28 TYR QE 2.900 . 4.000 3.149 2.777 3.430 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 708 1 24 TRP HD1 1 28 TYR QD 3.400 . 5.000 4.302 4.190 4.457 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 709 1 24 TRP HH2 1 28 TYR QE 2.900 . 4.000 3.284 2.819 3.805 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 710 1 24 TRP HA 1 28 TYR QD 3.400 . 5.000 5.029 4.999 5.084 0.084 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 711 1 24 TRP HD1 1 28 TYR HA 3.400 . 5.000 4.727 4.418 5.008 0.008 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 712 1 24 TRP HE3 1 28 TYR QD 3.400 . 5.000 4.467 4.227 4.773 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 713 1 24 TRP HD1 1 28 TYR H 3.900 . 6.000 4.815 4.380 5.491 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 714 1 24 TRP HD1 1 28 TYR QB 3.900 . 6.000 2.571 2.397 2.808 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 715 1 24 TRP HE1 1 28 TYR QD 3.900 . 6.000 3.248 2.835 3.481 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 716 1 24 TRP HE3 1 28 TYR QB 3.900 . 6.000 5.076 4.999 5.176 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 717 1 24 TRP HE1 1 28 TYR QE 3.900 . 6.000 4.409 3.995 4.680 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 718 1 24 TRP HZ3 1 28 TYR QB 3.900 . 6.000 6.022 6.004 6.047 0.047 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 719 1 24 TRP HE1 1 28 TYR QB 3.900 . 6.000 2.274 2.110 2.520 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 720 1 25 LEU HA 1 29 LEU H 3.400 . 5.000 3.663 3.141 3.832 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 721 1 25 LEU HG 1 29 LEU H 3.900 . 6.000 5.986 5.493 6.106 0.106 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 722 1 25 LEU QB 1 29 LEU H 3.900 . 6.000 4.656 4.591 4.796 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 723 1 26 PHE QE 1 30 GLN QE 2.900 . 4.000 4.033 4.004 4.066 0.066 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 724 1 26 PHE QD 1 30 GLN QE 3.400 . 5.000 2.438 2.240 2.564 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 725 1 26 PHE QD 1 30 GLN H 3.400 . 5.000 4.196 3.959 4.705 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 726 1 26 PHE QE 1 30 GLN QB 3.900 . 6.000 4.903 4.740 5.620 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 727 1 26 PHE QD 1 30 GLN QG 3.400 . 5.000 4.754 4.625 4.887 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 728 1 26 PHE QD 1 30 GLN QB 3.900 . 6.000 2.898 2.697 3.543 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 729 1 27 LYS QZ 1 31 LYS QB 3.900 . 6.000 5.467 3.617 6.034 0.034 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 730 1 27 LYS HA 1 31 LYS H 3.900 . 6.000 4.190 3.818 5.319 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 731 1 28 TYR QB 1 32 LYS QG 3.900 . 6.000 5.672 3.791 6.076 0.076 24 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 732 1 2 LYS QD 1 7 GLU HA 3.400 . 5.000 4.981 4.510 5.079 0.079 38 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 733 1 5 ILE MD 1 10 ALA H 3.900 . 6.000 4.551 4.498 4.687 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 734 1 5 ILE QG 1 10 ALA H 3.900 . 6.000 5.277 5.262 5.293 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 735 1 7 GLU HA 1 12 LEU HA 3.900 . 6.000 6.068 6.041 6.090 0.090 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 736 1 22 GLY QA 1 27 LYS QD 3.900 . 6.000 5.936 4.910 6.126 0.126 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 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 87 _Distance_constraint_stats_list.Viol_count 251 _Distance_constraint_stats_list.Viol_total 388.053 _Distance_constraint_stats_list.Viol_max 0.109 _Distance_constraint_stats_list.Viol_rms 0.0091 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0018 _Distance_constraint_stats_list.Viol_average_violations_only 0.0309 _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 3 HIS 0.218 0.053 25 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 4 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 5 ILE 1.408 0.054 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 6 TRP 0.219 0.062 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 7 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 8 VAL 1.922 0.062 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 9 ILE 4.898 0.070 14 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 10 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 11 GLY 2.977 0.070 14 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 12 LEU 3.053 0.070 14 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 13 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 14 ALA 0.325 0.036 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 15 LEU 0.032 0.006 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 16 LEU 0.177 0.021 24 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 17 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 18 PHE 0.437 0.036 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 19 LEU 0.437 0.036 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 20 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 21 PHE 0.034 0.018 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 22 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 23 PHE 0.095 0.045 32 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 24 TRP 0.095 0.045 32 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 25 LEU 2.207 0.109 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 26 PHE 0.120 0.085 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 27 LYS 0.095 0.045 32 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 28 TYR 2.178 0.109 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 29 LEU 0.974 0.109 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 30 GLN 0.091 0.085 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 31 LYS 1.329 0.086 33 0 "[ . 1 . 2 . 3 . 4 . 5]" 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 14 ALA H 1 14 ALA MB 2.300 . 2.800 1.927 1.867 1.953 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 2 1 25 LEU QD 1 28 TYR QD 2.900 . 4.000 3.227 3.010 3.353 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 3 1 16 LEU H 1 16 LEU HA 2.300 . 2.800 2.570 2.555 2.588 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 4 1 21 PHE QE 1 25 LEU QD 2.900 . 4.000 3.881 3.784 4.018 0.018 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 5 1 25 LEU QD 1 28 TYR QE 2.300 . 2.800 2.601 2.116 2.909 0.109 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 6 1 5 ILE HA 1 8 VAL QG 2.300 . 2.800 2.170 2.117 2.315 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 7 1 18 PHE HA 1 18 PHE QD 2.300 . 2.800 2.289 2.129 2.564 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 8 1 13 VAL QG 1 14 ALA H 2.900 . 4.000 2.887 2.859 2.915 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 9 1 26 PHE HA 1 26 PHE QD 2.900 . 4.000 2.323 2.274 2.450 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 10 1 14 ALA H 1 15 LEU H 2.900 . 4.000 2.395 2.353 2.476 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 11 1 9 ILE H 1 10 ALA H 2.900 . 4.000 1.961 1.907 2.000 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 12 1 21 PHE QD 1 25 LEU QD 2.900 . 4.000 3.437 3.043 3.955 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 13 1 9 ILE H 1 10 ALA MB 2.900 . 4.000 1.965 1.938 1.980 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 14 1 9 ILE QG 1 10 ALA H 2.900 . 4.000 3.489 3.452 3.525 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 15 1 9 ILE QG 1 10 ALA MB 2.900 . 4.000 3.896 3.856 3.938 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 16 1 8 VAL HA 1 12 LEU H 2.900 . 4.000 3.692 3.671 3.713 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 17 1 5 ILE MG 1 9 ILE MD 3.400 . 5.000 4.769 4.682 4.820 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 18 1 14 ALA H 1 18 PHE H 2.900 . 4.000 2.847 2.448 2.940 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 19 1 8 VAL HA 1 12 LEU QD 2.900 . 4.000 2.976 2.919 3.031 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 20 1 15 LEU HG 1 16 LEU H 2.900 . 4.000 3.926 3.882 3.994 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 21 1 8 VAL HA 1 10 ALA H 2.900 . 4.000 3.494 3.479 3.504 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 22 1 21 PHE HZ 1 25 LEU QD 2.900 . 4.000 3.353 3.260 3.437 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 23 1 14 ALA H 1 15 LEU QD 2.900 . 4.000 3.964 3.857 4.006 0.006 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 24 1 16 LEU H 1 17 THR HA 2.900 . 4.000 3.267 3.043 3.681 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 25 1 5 ILE MG 1 8 VAL HA 2.900 . 4.000 2.965 2.910 3.019 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 26 1 14 ALA H 1 15 LEU HA 2.900 . 4.000 3.125 2.851 3.266 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 27 1 13 VAL HA 1 14 ALA H 2.900 . 4.000 2.907 2.873 2.946 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 28 1 19 LEU H 1 21 PHE H 2.900 . 4.000 2.752 2.255 3.048 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 29 1 16 LEU HA 1 18 PHE H 3.400 . 5.000 4.876 4.190 5.021 0.021 24 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 30 1 7 GLU HA 1 9 ILE H 2.900 . 4.000 2.506 2.398 2.548 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 31 1 14 ALA H 1 17 THR H 2.900 . 4.000 2.304 2.237 2.417 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 32 1 8 VAL HA 1 12 LEU QB 2.900 . 4.000 2.393 2.342 2.443 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 33 1 5 ILE MD 1 8 VAL QG 2.900 . 4.000 3.966 3.940 4.011 0.011 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 34 1 21 PHE HZ 1 25 LEU HA 2.900 . 4.000 3.498 3.279 3.775 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 35 1 13 VAL HA 1 14 ALA MB 2.900 . 4.000 3.015 2.917 3.106 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 36 1 20 ALA MB 1 21 PHE QD 2.900 . 4.000 2.334 2.236 3.369 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 37 1 5 ILE HB 1 8 VAL QG 2.900 . 4.000 3.626 3.564 3.748 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 38 1 5 ILE QG 1 8 VAL QG 3.400 . 5.000 4.354 4.265 4.532 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 39 1 28 TYR QD 1 29 LEU QB 2.900 . 4.000 2.307 1.795 2.742 0.005 48 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 40 1 5 ILE HA 1 8 VAL HA 3.400 . 5.000 5.028 5.012 5.054 0.054 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 41 1 9 ILE H 1 12 LEU QD 3.400 . 5.000 4.523 4.493 4.551 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 42 1 24 TRP HA 1 27 LYS H 2.900 . 4.000 3.306 3.002 3.372 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 43 1 12 LEU HA 1 13 VAL H 2.900 . 4.000 3.439 3.392 3.466 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 44 1 18 PHE HA 1 19 LEU H 2.900 . 4.000 3.430 3.292 3.505 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 45 1 3 HIS HE1 1 4 THR MG 2.900 . 4.000 2.912 2.781 3.569 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 46 1 21 PHE HZ 1 25 LEU H 2.900 . 4.000 2.581 2.378 2.835 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 47 1 13 VAL HB 1 14 ALA H 2.900 . 4.000 2.303 2.217 2.390 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 48 1 14 ALA H 1 17 THR HB 2.900 . 4.000 3.510 3.433 3.607 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 49 1 19 LEU H 1 22 GLY QA 3.400 . 5.000 4.546 4.459 4.655 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 50 1 26 PHE HA 1 29 LEU H 2.900 . 4.000 3.325 3.023 4.085 0.085 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 51 1 13 VAL HB 1 14 ALA MB 3.400 . 5.000 3.911 3.845 3.998 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 52 1 23 PHE QD 1 27 LYS QG 3.400 . 5.000 3.061 2.407 4.669 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 53 1 8 VAL HA 1 12 LEU HA 3.400 . 5.000 4.989 4.948 5.019 0.019 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 54 1 8 VAL HA 1 12 LEU HG 3.400 . 5.000 4.864 4.781 4.929 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 55 1 24 TRP HA 1 27 LYS QB 3.400 . 5.000 2.750 2.491 3.599 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 56 1 24 TRP HA 1 27 LYS QG 3.400 . 5.000 3.816 2.851 4.583 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 57 1 18 PHE HA 1 22 GLY H 3.400 . 5.000 3.432 2.989 3.913 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 58 1 14 ALA H 1 18 PHE QD 3.400 . 5.000 3.801 3.727 3.905 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 59 1 28 TYR QE 1 29 LEU QB 3.400 . 5.000 2.935 2.553 3.369 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 60 1 25 LEU HG 1 29 LEU QB 3.400 . 5.000 2.549 2.122 3.117 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 61 1 9 ILE H 1 12 LEU QB 3.400 . 5.000 3.705 3.673 3.727 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 62 1 15 LEU HG 1 18 PHE QD 3.400 . 5.000 4.012 3.946 4.095 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 63 1 3 HIS QB 1 8 VAL QG 3.400 . 5.000 4.578 4.045 5.027 0.027 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 64 1 18 PHE QD 1 22 GLY QA 3.400 . 5.000 4.007 3.607 4.293 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 65 1 25 LEU HG 1 28 TYR QE 3.400 . 5.000 4.995 4.703 5.086 0.086 33 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 66 1 19 LEU H 1 21 PHE QD 3.400 . 5.000 3.843 3.394 4.901 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 67 1 9 ILE H 1 12 LEU HA 3.400 . 5.000 5.060 5.048 5.070 0.070 14 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 68 1 5 ILE HB 1 9 ILE MD 3.400 . 5.000 4.096 3.929 4.134 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 69 1 6 TRP HE3 1 8 VAL QG 3.400 . 5.000 4.946 4.840 5.062 0.062 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 70 1 21 PHE HZ 1 25 LEU HG 3.400 . 5.000 2.482 2.336 2.598 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 71 1 21 PHE QD 1 25 LEU HG 3.900 . 6.000 4.211 3.877 5.086 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 72 1 14 ALA H 1 18 PHE QE 3.900 . 6.000 5.979 5.881 6.036 0.036 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 73 1 17 THR HB 1 18 PHE QD 3.900 . 6.000 4.755 4.365 4.900 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 74 1 18 PHE HA 1 22 GLY QA 3.400 . 5.000 3.658 3.476 3.775 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 75 1 17 THR HA 1 18 PHE QD 3.400 . 5.000 3.251 2.550 3.474 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 76 1 6 TRP H 1 8 VAL QG 3.400 . 5.000 4.197 4.006 4.561 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 77 1 25 LEU QD 1 27 LYS H 3.900 . 6.000 5.425 4.987 5.655 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 78 1 5 ILE H 1 8 VAL QG 3.400 . 5.000 4.292 4.107 4.547 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 79 1 24 TRP HA 1 28 TYR QB 3.900 . 6.000 3.379 3.209 3.639 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 80 1 23 PHE QD 1 27 LYS H 3.900 . 6.000 5.218 4.570 5.566 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 81 1 27 LYS QG 1 29 LEU QB 3.900 . 6.000 5.077 4.672 5.620 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 82 1 23 PHE QD 1 27 LYS QE 3.900 . 6.000 3.077 2.574 4.235 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 83 1 23 PHE QD 1 27 LYS QB 3.900 . 6.000 4.119 3.511 4.891 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 84 1 3 HIS HD2 1 8 VAL QG 3.900 . 6.000 5.712 4.999 6.053 0.053 25 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 85 1 4 THR HA 1 8 VAL QG 3.900 . 6.000 5.034 4.595 5.314 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 86 1 23 PHE QE 1 24 TRP H 3.900 . 6.000 5.467 4.551 6.045 0.045 32 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 87 1 28 TYR QB 1 29 LEU QB 3.900 . 6.000 4.006 3.912 4.122 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2 stop_ save_ save_distance_constraint_statistics_3 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 3 _Distance_constraint_stats_list.Constraint_count 20 _Distance_constraint_stats_list.Viol_count 441 _Distance_constraint_stats_list.Viol_total 4951.717 _Distance_constraint_stats_list.Viol_max 1.619 _Distance_constraint_stats_list.Viol_rms 0.2425 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0990 _Distance_constraint_stats_list.Viol_average_violations_only 0.2246 _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 9 ILE 3.611 0.086 7 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 10 ALA 4.437 0.095 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 13 VAL 7.507 0.089 30 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 14 ALA 10.103 0.148 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 17 THR 4.911 0.389 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 18 PHE 5.733 0.148 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 19 LEU 9.079 0.574 46 1 "[ . 1 . 2 . 3 . 4 .+ 5]" 1 21 PHE 1.066 0.389 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 22 GLY 1.886 0.127 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 23 PHE 78.472 1.619 50 40 "[******-**** *** ********* 3 *********** *.****+]" 1 25 LEU 0.052 0.025 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 26 PHE 1.818 0.127 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 1 27 LYS 69.393 1.619 50 40 "[******-**** *** ********* 3 *********** *.****+]" 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 9 ILE O 1 13 VAL H 2.200 . 2.400 1.839 1.813 1.938 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3 2 1 9 ILE O 1 13 VAL N 3.300 2.500 3.500 2.428 2.414 2.533 0.086 7 0 "[ . 1 . 2 . 3 . 4 . 5]" 3 3 1 10 ALA O 1 14 ALA H 2.200 . 2.400 1.909 1.792 2.042 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3 4 1 10 ALA O 1 14 ALA N 3.300 2.500 3.500 2.411 2.405 2.422 0.095 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 3 5 1 13 VAL O 1 17 THR H 2.200 . 2.400 2.013 1.764 2.269 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3 6 1 13 VAL O 1 17 THR N 3.300 2.500 3.500 2.422 2.411 2.484 0.089 30 0 "[ . 1 . 2 . 3 . 4 . 5]" 3 7 1 14 ALA O 1 18 PHE H 2.200 . 2.400 1.764 1.552 2.168 0.148 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 3 8 1 14 ALA O 1 18 PHE N 3.300 2.500 3.500 2.417 2.398 2.440 0.102 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 3 9 1 17 THR O 1 21 PHE H 2.200 . 2.400 1.784 1.658 2.789 0.389 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 3 10 1 17 THR O 1 21 PHE N 3.300 2.500 3.500 2.745 2.611 3.657 0.157 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 3 11 1 18 PHE O 1 22 GLY H 2.200 . 2.400 1.859 1.693 2.135 0.007 25 0 "[ . 1 . 2 . 3 . 4 . 5]" 3 12 1 18 PHE O 1 22 GLY N 3.300 2.500 3.500 2.608 2.469 2.843 0.031 25 0 "[ . 1 . 2 . 3 . 4 . 5]" 3 13 1 19 LEU O 1 23 PHE H 2.200 . 2.400 2.058 1.628 2.974 0.574 46 1 "[ . 1 . 2 . 3 . 4 .+ 5]" 3 14 1 19 LEU O 1 23 PHE N 3.300 2.500 3.500 2.978 2.588 3.791 0.291 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 3 15 1 21 PHE O 1 25 LEU H 2.200 . 2.400 1.890 1.675 2.015 0.025 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 3 16 1 21 PHE O 1 25 LEU N 3.300 2.500 3.500 2.711 2.560 2.845 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3 17 1 22 GLY O 1 26 PHE H 2.200 . 2.400 2.372 2.082 2.527 0.127 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 3 18 1 22 GLY O 1 26 PHE N 3.300 2.500 3.500 3.297 3.029 3.430 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3 19 1 23 PHE O 1 27 LYS H 2.200 . 2.400 3.240 1.893 4.019 1.619 50 40 "[******-**** *** ********* 3 *********** *.****+]" 3 20 1 23 PHE O 1 27 LYS N 3.300 2.500 3.500 3.926 2.799 4.666 1.166 50 35 "[****.* *** * * ********* 3 ******* *** *.***-+]" 3 stop_ save_
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