NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
399179 | 1tvm | 6259 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1tvm 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 1077 _Distance_constraint_stats_list.Viol_count 328 _Distance_constraint_stats_list.Viol_total 236.208 _Distance_constraint_stats_list.Viol_max 0.207 _Distance_constraint_stats_list.Viol_rms 0.0056 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0005 _Distance_constraint_stats_list.Viol_average_violations_only 0.0360 _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 12 HIS 0.000 0.000 . 0 "[ . 1 . 2]" 1 13 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 14 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 1 15 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 16 TYR 0.000 0.000 . 0 "[ . 1 . 2]" 1 17 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 1 18 GLN 0.008 0.008 14 0 "[ . 1 . 2]" 1 19 GLY 0.008 0.008 14 0 "[ . 1 . 2]" 1 20 SER 0.014 0.014 17 0 "[ . 1 . 2]" 1 21 LYS 0.121 0.041 4 0 "[ . 1 . 2]" 1 22 ARG 0.102 0.042 4 0 "[ . 1 . 2]" 1 23 LYS 0.488 0.052 7 0 "[ . 1 . 2]" 1 24 ILE 0.000 0.000 . 0 "[ . 1 . 2]" 1 25 ILE 0.449 0.077 2 0 "[ . 1 . 2]" 1 26 VAL 1.155 0.137 12 0 "[ . 1 . 2]" 1 27 ALA 0.047 0.027 19 0 "[ . 1 . 2]" 1 28 CYS 0.815 0.087 7 0 "[ . 1 . 2]" 1 30 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 31 ALA 0.034 0.034 8 0 "[ . 1 . 2]" 1 32 VAL 0.017 0.017 17 0 "[ . 1 . 2]" 1 33 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 34 THR 0.051 0.034 8 0 "[ . 1 . 2]" 1 35 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 36 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 37 MET 0.000 0.000 . 0 "[ . 1 . 2]" 1 38 ALA 0.252 0.056 1 0 "[ . 1 . 2]" 1 39 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 40 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 41 GLU 0.033 0.033 4 0 "[ . 1 . 2]" 1 42 ILE 0.177 0.042 9 0 "[ . 1 . 2]" 1 43 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 44 GLU 0.034 0.034 17 0 "[ . 1 . 2]" 1 45 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 46 CYS 0.034 0.034 17 0 "[ . 1 . 2]" 1 47 GLN 0.064 0.044 6 0 "[ . 1 . 2]" 1 48 SER 0.033 0.033 2 0 "[ . 1 . 2]" 1 49 HIS 0.018 0.018 1 0 "[ . 1 . 2]" 1 50 ASN 0.064 0.044 6 0 "[ . 1 . 2]" 1 51 ILE 0.052 0.033 2 0 "[ . 1 . 2]" 1 52 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 53 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 54 GLU 0.209 0.042 4 0 "[ . 1 . 2]" 1 55 LEU 0.391 0.070 3 0 "[ . 1 . 2]" 1 56 ILE 1.271 0.137 12 0 "[ . 1 . 2]" 1 57 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 58 CYS 0.161 0.078 3 0 "[ . 1 . 2]" 1 59 ARG 1.204 0.087 7 0 "[ . 1 . 2]" 1 60 VAL 0.226 0.079 4 0 "[ . 1 . 2]" 1 61 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 1 62 GLU 0.859 0.071 3 0 "[ . 1 . 2]" 1 63 ILE 1.076 0.077 2 0 "[ . 1 . 2]" 1 64 GLU 0.386 0.085 6 0 "[ . 1 . 2]" 1 65 THR 0.012 0.012 14 0 "[ . 1 . 2]" 1 66 TYR 0.539 0.071 3 0 "[ . 1 . 2]" 1 67 MET 0.920 0.104 6 0 "[ . 1 . 2]" 1 68 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 69 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 70 VAL 0.899 0.104 6 0 "[ . 1 . 2]" 1 71 HIS 0.055 0.028 9 0 "[ . 1 . 2]" 1 72 LEU 0.048 0.028 9 0 "[ . 1 . 2]" 1 73 ILE 2.374 0.207 12 0 "[ . 1 . 2]" 1 74 CYS 0.052 0.043 18 0 "[ . 1 . 2]" 1 75 THR 0.363 0.116 4 0 "[ . 1 . 2]" 1 76 THR 0.085 0.037 19 0 "[ . 1 . 2]" 1 77 ALA 0.129 0.037 19 0 "[ . 1 . 2]" 1 78 ARG 0.260 0.102 19 0 "[ . 1 . 2]" 1 79 VAL 0.167 0.040 14 0 "[ . 1 . 2]" 1 80 ASP 0.185 0.032 15 0 "[ . 1 . 2]" 1 81 ARG 0.058 0.021 2 0 "[ . 1 . 2]" 1 82 SER 0.017 0.017 5 0 "[ . 1 . 2]" 1 83 PHE 0.400 0.074 20 0 "[ . 1 . 2]" 1 84 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 85 ASP 0.958 0.105 15 0 "[ . 1 . 2]" 1 86 ILE 1.604 0.207 12 0 "[ . 1 . 2]" 1 87 PRO 0.998 0.105 15 0 "[ . 1 . 2]" 1 88 LEU 0.191 0.074 20 0 "[ . 1 . 2]" 1 89 VAL 0.412 0.089 13 0 "[ . 1 . 2]" 1 90 HIS 0.300 0.102 19 0 "[ . 1 . 2]" 1 91 GLY 0.190 0.065 4 0 "[ . 1 . 2]" 1 92 MET 0.071 0.033 18 0 "[ . 1 . 2]" 1 93 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 94 PHE 0.576 0.063 18 0 "[ . 1 . 2]" 1 95 VAL 0.119 0.051 8 0 "[ . 1 . 2]" 1 96 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 97 GLY 0.307 0.063 18 0 "[ . 1 . 2]" 1 98 VAL 0.009 0.009 12 0 "[ . 1 . 2]" 1 99 GLY 0.009 0.009 12 0 "[ . 1 . 2]" 1 101 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 102 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 103 LEU 0.283 0.065 4 0 "[ . 1 . 2]" 1 104 GLN 0.035 0.018 15 0 "[ . 1 . 2]" 1 105 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 1 106 LYS 0.214 0.100 4 0 "[ . 1 . 2]" 1 107 ILE 0.271 0.100 4 0 "[ . 1 . 2]" 1 108 LEU 0.082 0.057 8 0 "[ . 1 . 2]" 1 109 THR 0.014 0.014 2 0 "[ . 1 . 2]" 1 110 ILE 0.046 0.046 5 0 "[ . 1 . 2]" 1 111 LEU 0.290 0.070 3 0 "[ . 1 . 2]" 1 112 GLN 0.094 0.048 18 0 "[ . 1 . 2]" 1 113 GLY 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 12 HIS HA 1 13 GLU H 3.000 . 5.600 2.823 2.141 3.579 . 0 0 "[ . 1 . 2]" 1 2 1 12 HIS QB 1 13 GLU H 3.000 . 6.000 3.051 1.917 4.011 . 0 0 "[ . 1 . 2]" 1 3 1 13 GLU H 1 13 GLU HA 3.000 . 5.600 2.643 2.261 2.948 . 0 0 "[ . 1 . 2]" 1 4 1 13 GLU H 1 13 GLU HB3 3.000 . 5.600 3.514 2.758 4.105 . 0 0 "[ . 1 . 2]" 1 5 1 13 GLU H 1 13 GLU HB2 3.000 . 5.600 2.965 2.158 3.939 . 0 0 "[ . 1 . 2]" 1 6 1 13 GLU H 1 13 GLU QG 3.000 . 6.000 3.493 1.969 4.269 . 0 0 "[ . 1 . 2]" 1 7 1 14 ASN H 1 14 ASN HA 3.000 . 5.600 2.764 2.268 2.948 . 0 0 "[ . 1 . 2]" 1 8 1 14 ASN H 1 14 ASN HB3 3.000 . 5.600 3.356 2.586 4.078 . 0 0 "[ . 1 . 2]" 1 9 1 14 ASN H 1 14 ASN HB2 3.000 . 5.600 2.892 2.067 3.750 . 0 0 "[ . 1 . 2]" 1 10 1 14 ASN H 1 15 LEU H 3.000 . 5.600 3.636 2.225 4.587 . 0 0 "[ . 1 . 2]" 1 11 1 15 LEU H 1 15 LEU QB 3.000 . 5.000 2.584 2.065 3.217 . 0 0 "[ . 1 . 2]" 1 12 1 15 LEU H 1 15 LEU HA 3.000 . 5.600 2.741 2.271 2.947 . 0 0 "[ . 1 . 2]" 1 13 1 15 LEU H 1 15 LEU MD1 3.000 . 6.000 3.933 2.687 4.842 . 0 0 "[ . 1 . 2]" 1 14 1 16 TYR H 1 16 TYR HA 3.000 . 4.600 2.807 2.268 2.945 . 0 0 "[ . 1 . 2]" 1 15 1 16 TYR H 1 16 TYR QB 3.000 . 5.000 2.622 2.082 3.237 . 0 0 "[ . 1 . 2]" 1 16 1 16 TYR H 1 16 TYR QD 3.000 . 6.600 3.702 2.026 4.544 . 0 0 "[ . 1 . 2]" 1 17 1 16 TYR QD 1 17 PHE H 3.000 . 6.600 4.082 2.044 4.910 . 0 0 "[ . 1 . 2]" 1 18 1 17 PHE H 1 17 PHE QD 3.000 . 6.600 3.502 1.982 4.512 . 0 0 "[ . 1 . 2]" 1 19 1 17 PHE H 1 17 PHE HA 3.000 . 4.600 2.776 2.264 2.946 . 0 0 "[ . 1 . 2]" 1 20 1 17 PHE H 1 17 PHE HB3 3.000 . 4.600 3.509 2.747 4.126 . 0 0 "[ . 1 . 2]" 1 21 1 17 PHE H 1 17 PHE HB2 3.000 . 4.600 2.918 2.081 3.773 . 0 0 "[ . 1 . 2]" 1 22 1 17 PHE HA 1 18 GLN H 3.000 . 4.600 2.709 2.186 3.568 . 0 0 "[ . 1 . 2]" 1 23 1 17 PHE QB 1 18 GLN H 3.000 . 6.000 3.364 2.080 4.032 . 0 0 "[ . 1 . 2]" 1 24 1 17 PHE QD 1 18 GLN H 3.000 . 6.600 3.935 2.675 4.877 . 0 0 "[ . 1 . 2]" 1 25 1 17 PHE H 1 18 GLN H 3.000 . 5.600 3.232 1.956 4.623 . 0 0 "[ . 1 . 2]" 1 26 1 17 PHE HA 1 19 GLY H 3.000 . 5.600 4.442 3.056 5.537 . 0 0 "[ . 1 . 2]" 1 27 1 18 GLN H 1 18 GLN HA 3.000 . 5.600 2.811 2.273 2.948 . 0 0 "[ . 1 . 2]" 1 28 1 18 GLN H 1 18 GLN HG2 3.000 . 5.600 3.910 1.836 5.298 . 0 0 "[ . 1 . 2]" 1 29 1 18 GLN H 1 18 GLN HG3 3.000 . 5.600 3.809 2.014 4.881 . 0 0 "[ . 1 . 2]" 1 30 1 18 GLN H 1 18 GLN QB 3.000 . 6.000 2.632 2.125 3.479 . 0 0 "[ . 1 . 2]" 1 31 1 18 GLN HA 1 19 GLY H 3.000 . 4.600 2.843 2.141 3.571 . 0 0 "[ . 1 . 2]" 1 32 1 18 GLN QB 1 19 GLY H 3.000 . 6.000 3.443 1.922 4.024 . 0 0 "[ . 1 . 2]" 1 33 1 18 GLN HG3 1 19 GLY H 3.000 . 5.600 4.779 3.565 5.608 0.008 14 0 "[ . 1 . 2]" 1 34 1 18 GLN HG2 1 19 GLY H 3.000 . 5.600 4.551 2.532 5.430 . 0 0 "[ . 1 . 2]" 1 35 1 18 GLN H 1 19 GLY H 3.000 . 5.600 2.992 1.970 4.299 . 0 0 "[ . 1 . 2]" 1 36 1 19 GLY QA 1 20 SER H 3.000 . 5.000 2.344 2.101 2.785 . 0 0 "[ . 1 . 2]" 1 37 1 19 GLY H 1 20 SER H 3.000 . 5.600 3.421 2.232 4.556 . 0 0 "[ . 1 . 2]" 1 38 1 20 SER H 1 20 SER HA 3.000 . 5.600 2.785 2.274 2.947 . 0 0 "[ . 1 . 2]" 1 39 1 20 SER H 1 20 SER QB 3.000 . 6.000 2.966 2.233 3.475 . 0 0 "[ . 1 . 2]" 1 40 1 20 SER HA 1 21 LYS H 3.000 . 4.600 2.722 2.146 3.567 . 0 0 "[ . 1 . 2]" 1 41 1 20 SER QB 1 21 LYS H 3.000 . 5.000 2.904 1.968 3.929 . 0 0 "[ . 1 . 2]" 1 42 1 20 SER H 1 21 LYS H 3.000 . 5.600 3.667 1.807 4.573 . 0 0 "[ . 1 . 2]" 1 43 1 20 SER H 1 21 LYS HA 3.000 . 5.600 4.814 4.075 5.614 0.014 17 0 "[ . 1 . 2]" 1 44 1 21 LYS H 1 21 LYS HA 3.000 . 5.600 2.866 2.281 2.945 . 0 0 "[ . 1 . 2]" 1 45 1 21 LYS H 1 21 LYS QD 3.000 . 6.000 4.705 3.848 5.195 . 0 0 "[ . 1 . 2]" 1 46 1 21 LYS H 1 21 LYS QG 3.000 . 6.000 3.758 2.441 4.332 . 0 0 "[ . 1 . 2]" 1 47 1 21 LYS H 1 21 LYS QB 3.000 . 5.000 2.748 2.353 3.089 . 0 0 "[ . 1 . 2]" 1 48 1 21 LYS HA 1 22 ARG H 3.000 . 4.600 3.551 3.435 3.582 . 0 0 "[ . 1 . 2]" 1 49 1 21 LYS H 1 22 ARG H 3.000 . 5.600 2.768 2.112 3.645 . 0 0 "[ . 1 . 2]" 1 50 1 21 LYS H 1 54 GLU QB 3.000 . 6.000 5.849 5.284 6.041 0.041 4 0 "[ . 1 . 2]" 1 51 1 21 LYS H 1 54 GLU QG 3.000 . 6.000 4.061 3.642 4.899 . 0 0 "[ . 1 . 2]" 1 52 1 22 ARG H 1 22 ARG HB3 3.000 . 5.600 3.631 2.920 3.828 . 0 0 "[ . 1 . 2]" 1 53 1 22 ARG H 1 22 ARG HB2 3.000 . 5.600 2.963 2.534 3.765 . 0 0 "[ . 1 . 2]" 1 54 1 22 ARG H 1 22 ARG HG3 3.000 . 5.600 3.008 2.524 3.722 . 0 0 "[ . 1 . 2]" 1 55 1 22 ARG HA 1 23 LYS H 3.000 . 4.600 2.287 2.234 2.355 . 0 0 "[ . 1 . 2]" 1 56 1 22 ARG H 1 23 LYS H 3.000 . 5.600 4.478 4.441 4.515 . 0 0 "[ . 1 . 2]" 1 57 1 22 ARG H 1 53 VAL HA 3.000 . 4.600 3.008 2.365 3.578 . 0 0 "[ . 1 . 2]" 1 58 1 22 ARG H 1 53 VAL MG1 3.000 . 6.000 3.253 1.950 5.339 . 0 0 "[ . 1 . 2]" 1 59 1 22 ARG H 1 53 VAL MG2 3.000 . 6.000 4.248 2.996 5.469 . 0 0 "[ . 1 . 2]" 1 60 1 22 ARG H 1 54 GLU HG3 3.000 . 5.600 5.365 4.195 5.610 0.010 20 0 "[ . 1 . 2]" 1 61 1 22 ARG H 1 54 GLU HG2 3.000 . 5.600 5.405 4.924 5.642 0.042 4 0 "[ . 1 . 2]" 1 62 1 22 ARG H 1 54 GLU H 3.000 . 5.600 4.402 4.125 4.795 . 0 0 "[ . 1 . 2]" 1 63 1 23 LYS H 1 23 LYS HA 3.000 . 5.600 2.938 2.925 2.947 . 0 0 "[ . 1 . 2]" 1 64 1 23 LYS H 1 23 LYS QB 3.000 . 6.000 2.556 2.453 2.769 . 0 0 "[ . 1 . 2]" 1 65 1 23 LYS H 1 23 LYS QG 3.000 . 6.000 3.577 2.797 4.096 . 0 0 "[ . 1 . 2]" 1 66 1 23 LYS HA 1 24 ILE H 3.000 . 4.600 2.166 2.138 2.196 . 0 0 "[ . 1 . 2]" 1 67 1 23 LYS QG 1 24 ILE H 3.000 . 6.000 3.901 3.209 4.605 . 0 0 "[ . 1 . 2]" 1 68 1 23 LYS QB 1 24 ILE H 3.000 . 6.000 3.487 3.117 3.789 . 0 0 "[ . 1 . 2]" 1 69 1 23 LYS H 1 24 ILE H 3.000 . 5.600 4.167 4.049 4.309 . 0 0 "[ . 1 . 2]" 1 70 1 23 LYS H 1 24 ILE MD 3.000 . 6.000 5.141 3.933 5.641 . 0 0 "[ . 1 . 2]" 1 71 1 23 LYS HA 1 54 GLU H 3.700 . 5.000 2.550 2.156 3.028 . 0 0 "[ . 1 . 2]" 1 72 1 23 LYS H 1 70 VAL H 3.000 . 6.000 6.018 5.961 6.052 0.052 7 0 "[ . 1 . 2]" 1 73 1 23 LYS H 1 70 VAL HA 3.000 . 5.600 3.524 3.375 3.639 . 0 0 "[ . 1 . 2]" 1 74 1 23 LYS H 1 71 HIS HB3 3.000 . 5.600 2.820 2.010 3.796 . 0 0 "[ . 1 . 2]" 1 75 1 23 LYS H 1 71 HIS HB2 3.000 . 5.600 2.019 1.780 2.399 0.020 13 0 "[ . 1 . 2]" 1 76 1 23 LYS H 1 71 HIS H 3.000 . 5.600 2.127 1.963 2.367 . 0 0 "[ . 1 . 2]" 1 77 1 23 LYS HB3 1 71 HIS H 3.000 . 5.600 3.770 2.867 4.451 . 0 0 "[ . 1 . 2]" 1 78 1 23 LYS QG 1 71 HIS H 3.000 . 6.000 4.644 3.865 5.120 . 0 0 "[ . 1 . 2]" 1 79 1 23 LYS HB2 1 71 HIS H 3.000 . 5.600 3.047 2.500 3.463 . 0 0 "[ . 1 . 2]" 1 80 1 23 LYS HB3 1 72 LEU H 3.000 . 5.600 5.104 4.472 5.614 0.014 6 0 "[ . 1 . 2]" 1 81 1 23 LYS HB2 1 72 LEU H 3.000 . 5.600 4.931 4.422 5.471 . 0 0 "[ . 1 . 2]" 1 82 1 23 LYS H 1 72 LEU H 3.000 . 5.600 3.772 3.481 4.119 . 0 0 "[ . 1 . 2]" 1 83 1 24 ILE H 1 24 ILE HA 3.000 . 5.600 2.930 2.914 2.939 . 0 0 "[ . 1 . 2]" 1 84 1 24 ILE H 1 24 ILE MG 3.000 . 6.000 3.798 3.009 3.866 . 0 0 "[ . 1 . 2]" 1 85 1 24 ILE H 1 24 ILE MD 3.000 . 6.000 3.044 1.893 3.752 . 0 0 "[ . 1 . 2]" 1 86 1 24 ILE H 1 24 ILE HG13 3.000 . 5.600 2.481 1.968 3.560 . 0 0 "[ . 1 . 2]" 1 87 1 24 ILE H 1 24 ILE HG12 3.000 . 5.600 3.646 2.258 4.185 . 0 0 "[ . 1 . 2]" 1 88 1 24 ILE H 1 24 ILE HB 3.000 . 4.600 2.751 2.575 3.635 . 0 0 "[ . 1 . 2]" 1 89 1 24 ILE HA 1 25 ILE H 3.000 . 4.600 2.329 2.270 2.383 . 0 0 "[ . 1 . 2]" 1 90 1 24 ILE H 1 25 ILE H 3.000 . 5.600 4.580 4.545 4.603 . 0 0 "[ . 1 . 2]" 1 91 1 24 ILE QG 1 54 GLU H 3.000 . 6.000 4.669 3.578 5.304 . 0 0 "[ . 1 . 2]" 1 92 1 24 ILE H 1 54 GLU QB 3.000 . 6.000 4.340 3.809 5.042 . 0 0 "[ . 1 . 2]" 1 93 1 24 ILE H 1 54 GLU H 3.000 . 5.600 3.640 3.170 4.019 . 0 0 "[ . 1 . 2]" 1 94 1 24 ILE H 1 55 LEU HA 3.000 . 5.600 3.013 2.574 3.703 . 0 0 "[ . 1 . 2]" 1 95 1 24 ILE H 1 56 ILE H 3.000 . 5.600 3.841 3.594 4.057 . 0 0 "[ . 1 . 2]" 1 96 1 24 ILE HA 1 71 HIS H 3.000 . 5.600 3.969 3.620 4.431 . 0 0 "[ . 1 . 2]" 1 97 1 24 ILE HA 1 72 LEU H 3.700 . 5.000 2.746 2.494 3.062 . 0 0 "[ . 1 . 2]" 1 98 1 25 ILE H 1 25 ILE HB 3.000 . 4.600 3.161 2.465 3.851 . 0 0 "[ . 1 . 2]" 1 99 1 25 ILE H 1 25 ILE MD 3.000 . 5.000 3.829 2.428 4.566 . 0 0 "[ . 1 . 2]" 1 100 1 25 ILE H 1 25 ILE MG 3.000 . 5.000 3.114 1.871 3.943 . 0 0 "[ . 1 . 2]" 1 101 1 25 ILE H 1 25 ILE HA 3.000 . 5.600 2.938 2.927 2.947 . 0 0 "[ . 1 . 2]" 1 102 1 25 ILE H 1 25 ILE QG 3.000 . 6.000 2.947 1.870 4.196 . 0 0 "[ . 1 . 2]" 1 103 1 25 ILE H 1 26 VAL H 3.000 . 5.600 4.443 4.404 4.475 . 0 0 "[ . 1 . 2]" 1 104 1 25 ILE HA 1 56 ILE H 3.700 . 5.000 2.810 2.479 3.211 . 0 0 "[ . 1 . 2]" 1 105 1 25 ILE MD 1 63 ILE MG 3.700 . 6.000 2.421 1.923 3.190 0.077 2 0 "[ . 1 . 2]" 1 106 1 25 ILE MG 1 63 ILE MG 3.700 . 6.000 2.555 1.928 3.475 0.072 9 0 "[ . 1 . 2]" 1 107 1 25 ILE H 1 72 LEU H 3.000 . 5.600 4.405 4.146 4.645 . 0 0 "[ . 1 . 2]" 1 108 1 25 ILE H 1 73 ILE H 3.000 . 5.600 4.568 4.329 4.774 . 0 0 "[ . 1 . 2]" 1 109 1 25 ILE H 1 73 ILE HA 3.700 . 5.000 2.191 1.965 2.688 0.035 13 0 "[ . 1 . 2]" 1 110 1 25 ILE H 1 73 ILE MG 3.000 . 6.000 3.932 2.762 4.825 . 0 0 "[ . 1 . 2]" 1 111 1 25 ILE H 1 74 CYS H 3.000 . 5.600 3.270 2.803 3.594 . 0 0 "[ . 1 . 2]" 1 112 1 26 VAL H 1 26 VAL HB 3.000 . 5.600 3.138 2.638 3.797 . 0 0 "[ . 1 . 2]" 1 113 1 26 VAL H 1 26 VAL HA 3.000 . 4.600 2.949 2.939 2.958 . 0 0 "[ . 1 . 2]" 1 114 1 26 VAL H 1 26 VAL QG 3.000 . 5.000 2.339 1.917 2.910 . 0 0 "[ . 1 . 2]" 1 115 1 26 VAL HA 1 27 ALA H 3.000 . 4.600 2.154 2.132 2.181 . 0 0 "[ . 1 . 2]" 1 116 1 26 VAL H 1 27 ALA H 3.000 . 5.600 4.214 4.146 4.296 . 0 0 "[ . 1 . 2]" 1 117 1 26 VAL H 1 27 ALA HA 3.000 . 5.600 4.784 4.707 4.895 . 0 0 "[ . 1 . 2]" 1 118 1 26 VAL MG2 1 27 ALA H 3.000 . 5.600 3.731 2.414 4.306 . 0 0 "[ . 1 . 2]" 1 119 1 26 VAL HB 1 27 ALA H 3.000 . 5.600 4.070 3.295 4.399 . 0 0 "[ . 1 . 2]" 1 120 1 26 VAL MG1 1 27 ALA H 3.000 . 5.600 3.452 2.593 4.155 . 0 0 "[ . 1 . 2]" 1 121 1 26 VAL QG 1 56 ILE H 3.000 . 6.000 4.085 3.712 4.597 . 0 0 "[ . 1 . 2]" 1 122 1 26 VAL H 1 56 ILE HB 3.000 . 5.600 5.082 4.201 5.737 0.137 12 0 "[ . 1 . 2]" 1 123 1 26 VAL H 1 56 ILE HG13 3.000 . 5.600 4.958 3.778 5.661 0.061 8 0 "[ . 1 . 2]" 1 124 1 26 VAL H 1 56 ILE HG12 3.000 . 5.600 5.041 4.141 5.679 0.079 7 0 "[ . 1 . 2]" 1 125 1 26 VAL H 1 56 ILE MG 3.000 . 6.000 4.142 2.774 5.699 . 0 0 "[ . 1 . 2]" 1 126 1 26 VAL H 1 57 GLN QG 3.000 . 6.000 4.157 3.389 5.510 . 0 0 "[ . 1 . 2]" 1 127 1 26 VAL QG 1 57 GLN H 3.000 . 6.000 4.433 3.788 5.224 . 0 0 "[ . 1 . 2]" 1 128 1 26 VAL H 1 57 GLN HA 3.700 . 5.000 2.353 2.102 2.662 . 0 0 "[ . 1 . 2]" 1 129 1 26 VAL H 1 57 GLN H 3.000 . 6.000 4.510 4.336 4.794 . 0 0 "[ . 1 . 2]" 1 130 1 26 VAL QG 1 58 CYS H 3.000 . 6.000 3.634 3.073 4.384 . 0 0 "[ . 1 . 2]" 1 131 1 26 VAL H 1 58 CYS H 3.000 . 5.600 3.364 3.065 3.678 . 0 0 "[ . 1 . 2]" 1 132 1 26 VAL HA 1 74 CYS H 3.700 . 5.000 3.296 3.034 3.578 . 0 0 "[ . 1 . 2]" 1 133 1 26 VAL MG1 1 74 CYS H 3.000 . 5.600 4.844 3.537 5.643 0.043 18 0 "[ . 1 . 2]" 1 134 1 27 ALA H 1 27 ALA HA 3.000 . 4.600 2.942 2.935 2.945 . 0 0 "[ . 1 . 2]" 1 135 1 27 ALA H 1 27 ALA MB 3.000 . 5.000 2.395 2.287 2.514 . 0 0 "[ . 1 . 2]" 1 136 1 27 ALA HA 1 28 CYS H 3.000 . 4.600 2.117 2.090 2.138 . 0 0 "[ . 1 . 2]" 1 137 1 27 ALA MB 1 28 CYS H 3.000 . 6.000 3.169 3.102 3.213 . 0 0 "[ . 1 . 2]" 1 138 1 27 ALA H 1 58 CYS H 3.000 . 6.000 4.683 4.432 4.981 . 0 0 "[ . 1 . 2]" 1 139 1 27 ALA HA 1 58 CYS H 3.700 . 5.000 2.990 2.683 3.314 . 0 0 "[ . 1 . 2]" 1 140 1 27 ALA HA 1 59 ARG H 3.000 . 5.600 4.960 4.780 5.077 . 0 0 "[ . 1 . 2]" 1 141 1 27 ALA HA 1 60 VAL H 3.000 . 6.000 5.578 5.330 5.781 . 0 0 "[ . 1 . 2]" 1 142 1 27 ALA MB 1 63 ILE MG 3.700 . 6.000 3.836 1.973 5.153 0.027 19 0 "[ . 1 . 2]" 1 143 1 27 ALA MB 1 63 ILE MD 3.700 . 6.000 2.557 1.990 3.997 0.010 16 0 "[ . 1 . 2]" 1 144 1 27 ALA H 1 74 CYS HB3 3.000 . 5.600 4.320 3.588 5.181 . 0 0 "[ . 1 . 2]" 1 145 1 27 ALA H 1 74 CYS HB2 3.000 . 5.600 4.592 3.573 5.484 . 0 0 "[ . 1 . 2]" 1 146 1 27 ALA H 1 74 CYS H 3.000 . 5.600 4.195 3.892 4.655 . 0 0 "[ . 1 . 2]" 1 147 1 27 ALA H 1 75 THR HB 3.000 . 5.600 5.247 4.226 5.605 0.005 7 0 "[ . 1 . 2]" 1 148 1 27 ALA H 1 75 THR MG 3.000 . 6.000 3.614 2.342 5.329 . 0 0 "[ . 1 . 2]" 1 149 1 27 ALA H 1 75 THR HA 3.700 . 5.000 3.030 2.510 3.548 . 0 0 "[ . 1 . 2]" 1 150 1 28 CYS H 1 28 CYS HA 3.000 . 5.600 2.817 2.274 2.950 . 0 0 "[ . 1 . 2]" 1 151 1 28 CYS H 1 28 CYS HB3 3.000 . 5.600 3.405 2.814 4.090 . 0 0 "[ . 1 . 2]" 1 152 1 28 CYS H 1 28 CYS HB2 3.000 . 5.600 3.053 2.473 4.074 . 0 0 "[ . 1 . 2]" 1 153 1 28 CYS H 1 58 CYS H 3.000 . 5.600 4.509 4.065 4.798 . 0 0 "[ . 1 . 2]" 1 154 1 28 CYS H 1 59 ARG H 3.000 . 5.600 5.640 5.588 5.687 0.087 7 0 "[ . 1 . 2]" 1 155 1 28 CYS H 1 59 ARG HA 3.000 . 5.600 3.436 3.279 3.572 . 0 0 "[ . 1 . 2]" 1 156 1 28 CYS H 1 60 VAL H 3.000 . 5.600 5.388 5.069 5.603 0.003 5 0 "[ . 1 . 2]" 1 157 1 30 GLY H 1 30 GLY HA3 3.000 . 5.600 2.714 2.288 2.956 . 0 0 "[ . 1 . 2]" 1 158 1 31 ALA H 1 31 ALA HA 3.000 . 5.600 2.762 2.273 2.949 . 0 0 "[ . 1 . 2]" 1 159 1 31 ALA H 1 31 ALA MB 3.000 . 6.000 2.506 2.043 2.928 . 0 0 "[ . 1 . 2]" 1 160 1 31 ALA HA 1 34 THR H 3.000 . 5.600 4.717 3.451 5.634 0.034 8 0 "[ . 1 . 2]" 1 161 1 32 VAL H 1 32 VAL HA 3.000 . 5.600 2.712 2.274 2.948 . 0 0 "[ . 1 . 2]" 1 162 1 32 VAL H 1 32 VAL HB 3.000 . 5.600 3.335 2.613 3.915 . 0 0 "[ . 1 . 2]" 1 163 1 32 VAL H 1 32 VAL MG1 3.000 . 6.000 3.583 2.103 4.096 . 0 0 "[ . 1 . 2]" 1 164 1 32 VAL H 1 32 VAL MG2 3.000 . 6.000 2.505 1.879 4.063 . 0 0 "[ . 1 . 2]" 1 165 1 32 VAL QG 1 33 ALA H 3.000 . 6.000 3.098 1.822 3.734 . 0 0 "[ . 1 . 2]" 1 166 1 32 VAL HA 1 33 ALA H 3.000 . 5.600 3.039 2.141 3.576 . 0 0 "[ . 1 . 2]" 1 167 1 32 VAL H 1 33 ALA H 3.000 . 5.600 2.933 1.875 4.626 . 0 0 "[ . 1 . 2]" 1 168 1 32 VAL HB 1 33 ALA H 3.000 . 5.600 3.445 1.933 4.388 . 0 0 "[ . 1 . 2]" 1 169 1 32 VAL HB 1 34 THR H 3.000 . 5.600 4.918 2.969 5.617 0.017 17 0 "[ . 1 . 2]" 1 170 1 32 VAL HA 1 34 THR H 3.000 . 5.600 4.394 3.344 5.410 . 0 0 "[ . 1 . 2]" 1 171 1 32 VAL QG 1 34 THR H 3.000 . 6.000 4.203 2.919 4.999 . 0 0 "[ . 1 . 2]" 1 172 1 32 VAL QG 1 35 SER H 3.000 . 6.000 4.887 4.176 5.843 . 0 0 "[ . 1 . 2]" 1 173 1 33 ALA H 1 33 ALA HA 3.000 . 5.600 2.658 2.274 2.945 . 0 0 "[ . 1 . 2]" 1 174 1 33 ALA H 1 33 ALA MB 3.000 . 6.000 2.666 2.150 3.048 . 0 0 "[ . 1 . 2]" 1 175 1 33 ALA MB 1 34 THR H 3.000 . 5.000 3.243 2.553 3.725 . 0 0 "[ . 1 . 2]" 1 176 1 33 ALA H 1 34 THR H 3.000 . 5.600 2.620 1.845 3.256 . 0 0 "[ . 1 . 2]" 1 177 1 33 ALA MB 1 35 SER H 3.000 . 6.000 4.876 4.202 5.483 . 0 0 "[ . 1 . 2]" 1 178 1 33 ALA MB 1 36 THR H 3.000 . 6.000 5.338 4.574 5.960 . 0 0 "[ . 1 . 2]" 1 179 1 33 ALA MB 1 37 MET H 3.000 . 6.000 5.108 4.358 5.960 . 0 0 "[ . 1 . 2]" 1 180 1 34 THR H 1 34 THR HA 3.000 . 4.600 2.878 2.813 2.937 . 0 0 "[ . 1 . 2]" 1 181 1 34 THR H 1 34 THR MG 3.000 . 5.000 3.366 2.019 3.988 . 0 0 "[ . 1 . 2]" 1 182 1 34 THR H 1 34 THR HB 3.000 . 5.600 3.119 2.620 4.003 . 0 0 "[ . 1 . 2]" 1 183 1 34 THR H 1 35 SER H 3.000 . 5.600 2.324 1.815 2.938 . 0 0 "[ . 1 . 2]" 1 184 1 34 THR MG 1 35 SER H 3.000 . 6.000 3.727 2.564 4.440 . 0 0 "[ . 1 . 2]" 1 185 1 34 THR MG 1 36 THR H 3.000 . 6.000 5.456 4.808 5.908 . 0 0 "[ . 1 . 2]" 1 186 1 34 THR H 1 36 THR H 3.000 . 5.600 3.910 2.985 5.537 . 0 0 "[ . 1 . 2]" 1 187 1 34 THR MG 1 37 MET H 3.000 . 6.000 4.980 3.676 5.519 . 0 0 "[ . 1 . 2]" 1 188 1 35 SER H 1 35 SER HA 3.000 . 5.600 2.808 2.751 2.868 . 0 0 "[ . 1 . 2]" 1 189 1 35 SER H 1 35 SER HB2 3.000 . 5.600 2.784 2.094 3.604 . 0 0 "[ . 1 . 2]" 1 190 1 35 SER H 1 35 SER HB3 3.000 . 5.600 3.179 2.421 3.605 . 0 0 "[ . 1 . 2]" 1 191 1 35 SER QB 1 36 THR H 3.000 . 6.000 2.538 2.172 3.205 . 0 0 "[ . 1 . 2]" 1 192 1 35 SER H 1 36 THR H 3.000 . 5.600 2.758 2.649 2.912 . 0 0 "[ . 1 . 2]" 1 193 1 35 SER H 1 37 MET H 3.000 . 5.600 4.018 3.678 4.401 . 0 0 "[ . 1 . 2]" 1 194 1 35 SER HA 1 38 ALA H 3.000 . 5.600 3.873 3.473 4.098 . 0 0 "[ . 1 . 2]" 1 195 1 35 SER HA 1 39 ALA H 3.000 . 5.600 3.969 3.407 4.566 . 0 0 "[ . 1 . 2]" 1 196 1 36 THR H 1 36 THR HB 3.000 . 4.600 3.021 2.437 3.598 . 0 0 "[ . 1 . 2]" 1 197 1 36 THR H 1 36 THR HA 3.000 . 5.600 2.821 2.777 2.869 . 0 0 "[ . 1 . 2]" 1 198 1 36 THR H 1 36 THR MG 3.000 . 6.000 3.046 1.948 3.754 . 0 0 "[ . 1 . 2]" 1 199 1 36 THR MG 1 37 MET H 3.000 . 6.000 3.591 1.928 4.256 . 0 0 "[ . 1 . 2]" 1 200 1 36 THR HA 1 37 MET H 3.000 . 5.600 3.524 3.472 3.572 . 0 0 "[ . 1 . 2]" 1 201 1 36 THR H 1 37 MET H 3.000 . 5.600 2.643 2.439 2.876 . 0 0 "[ . 1 . 2]" 1 202 1 36 THR HA 1 39 ALA H 3.700 . 5.000 3.746 3.447 4.060 . 0 0 "[ . 1 . 2]" 1 203 1 36 THR HA 1 40 GLU H 3.000 . 5.600 3.510 3.221 3.893 . 0 0 "[ . 1 . 2]" 1 204 1 37 MET H 1 37 MET HA 3.000 . 5.600 2.787 2.735 2.864 . 0 0 "[ . 1 . 2]" 1 205 1 37 MET H 1 37 MET HG3 3.000 . 5.600 3.795 2.496 4.556 . 0 0 "[ . 1 . 2]" 1 206 1 37 MET H 1 37 MET HG2 3.000 . 5.600 3.914 2.068 4.619 . 0 0 "[ . 1 . 2]" 1 207 1 37 MET H 1 37 MET QB 3.000 . 5.000 2.184 2.030 2.699 . 0 0 "[ . 1 . 2]" 1 208 1 37 MET QB 1 38 ALA H 3.000 . 5.000 2.380 2.241 2.508 . 0 0 "[ . 1 . 2]" 1 209 1 37 MET H 1 38 ALA H 3.000 . 5.600 2.862 2.608 3.004 . 0 0 "[ . 1 . 2]" 1 210 1 37 MET HA 1 39 ALA H 3.000 . 5.600 4.971 4.662 5.166 . 0 0 "[ . 1 . 2]" 1 211 1 37 MET H 1 39 ALA H 3.000 . 5.600 4.385 4.130 4.609 . 0 0 "[ . 1 . 2]" 1 212 1 37 MET HA 1 40 GLU H 3.700 . 5.000 4.077 3.850 4.335 . 0 0 "[ . 1 . 2]" 1 213 1 37 MET HA 1 41 GLU H 3.000 . 5.600 4.048 3.594 4.441 . 0 0 "[ . 1 . 2]" 1 214 1 38 ALA H 1 38 ALA MB 3.000 . 5.000 2.110 2.020 2.234 . 0 0 "[ . 1 . 2]" 1 215 1 38 ALA H 1 38 ALA HA 3.000 . 5.600 2.811 2.791 2.832 . 0 0 "[ . 1 . 2]" 1 216 1 38 ALA HA 1 39 ALA H 3.000 . 5.600 3.566 3.550 3.583 . 0 0 "[ . 1 . 2]" 1 217 1 38 ALA HA 1 41 GLU H 3.000 . 5.000 3.521 3.385 3.677 . 0 0 "[ . 1 . 2]" 1 218 1 38 ALA MB 1 55 LEU QD 3.700 . 6.000 3.745 3.435 4.041 . 0 0 "[ . 1 . 2]" 1 219 1 38 ALA H 1 55 LEU QD 3.000 . 6.000 5.953 5.682 6.056 0.056 1 0 "[ . 1 . 2]" 1 220 1 38 ALA MB 1 94 PHE QD 3.000 . 6.000 4.035 3.190 5.101 . 0 0 "[ . 1 . 2]" 1 221 1 38 ALA MB 1 94 PHE QE 3.000 . 6.000 4.629 3.117 5.724 . 0 0 "[ . 1 . 2]" 1 222 1 38 ALA HA 1 94 PHE QD 3.000 . 6.000 4.644 3.320 5.264 . 0 0 "[ . 1 . 2]" 1 223 1 38 ALA HA 1 94 PHE QE 3.000 . 6.000 4.642 2.616 5.479 . 0 0 "[ . 1 . 2]" 1 224 1 39 ALA H 1 39 ALA HA 3.000 . 4.600 2.742 2.710 2.784 . 0 0 "[ . 1 . 2]" 1 225 1 39 ALA H 1 39 ALA MB 3.000 . 5.000 2.162 2.036 2.241 . 0 0 "[ . 1 . 2]" 1 226 1 39 ALA MB 1 40 GLU H 3.000 . 5.000 2.326 2.186 2.465 . 0 0 "[ . 1 . 2]" 1 227 1 39 ALA HA 1 40 GLU H 3.000 . 5.600 3.573 3.562 3.584 . 0 0 "[ . 1 . 2]" 1 228 1 39 ALA HA 1 42 ILE H 3.000 . 5.600 3.805 3.640 4.133 . 0 0 "[ . 1 . 2]" 1 229 1 39 ALA H 1 42 ILE MD 3.000 . 6.000 4.771 3.376 5.977 . 0 0 "[ . 1 . 2]" 1 230 1 39 ALA MB 1 55 LEU QD 3.700 . 6.000 2.784 2.010 3.309 . 0 0 "[ . 1 . 2]" 1 231 1 40 GLU H 1 40 GLU QG 3.000 . 6.000 3.515 2.516 4.062 . 0 0 "[ . 1 . 2]" 1 232 1 40 GLU H 1 40 GLU HA 3.000 . 4.600 2.805 2.784 2.823 . 0 0 "[ . 1 . 2]" 1 233 1 40 GLU H 1 40 GLU HB3 3.000 . 4.600 3.084 2.439 3.549 . 0 0 "[ . 1 . 2]" 1 234 1 40 GLU H 1 40 GLU HB2 3.000 . 4.600 2.291 2.069 3.591 . 0 0 "[ . 1 . 2]" 1 235 1 40 GLU H 1 41 GLU H 3.000 . 4.600 2.697 2.615 2.794 . 0 0 "[ . 1 . 2]" 1 236 1 40 GLU H 1 41 GLU QB 3.000 . 6.000 4.468 4.324 4.775 . 0 0 "[ . 1 . 2]" 1 237 1 40 GLU HA 1 43 LYS H 3.700 . 5.000 3.615 3.450 3.773 . 0 0 "[ . 1 . 2]" 1 238 1 40 GLU QB 1 43 LYS H 3.000 . 6.000 4.990 4.746 5.147 . 0 0 "[ . 1 . 2]" 1 239 1 40 GLU H 1 43 LYS H 3.000 . 5.600 4.683 4.577 4.817 . 0 0 "[ . 1 . 2]" 1 240 1 40 GLU HA 1 44 GLU H 3.000 . 5.600 3.720 3.361 4.059 . 0 0 "[ . 1 . 2]" 1 241 1 40 GLU QG 1 44 GLU H 3.000 . 6.000 4.642 3.862 5.684 . 0 0 "[ . 1 . 2]" 1 242 1 41 GLU H 1 41 GLU HB2 3.000 . 5.600 2.210 2.080 2.494 . 0 0 "[ . 1 . 2]" 1 243 1 41 GLU H 1 41 GLU HB3 3.000 . 5.600 3.311 2.609 3.596 . 0 0 "[ . 1 . 2]" 1 244 1 41 GLU H 1 41 GLU HA 3.000 . 5.600 2.825 2.789 2.855 . 0 0 "[ . 1 . 2]" 1 245 1 41 GLU H 1 42 ILE HB 3.000 . 5.600 5.126 4.850 5.412 . 0 0 "[ . 1 . 2]" 1 246 1 41 GLU HB3 1 42 ILE H 3.000 . 5.600 2.829 2.320 3.552 . 0 0 "[ . 1 . 2]" 1 247 1 41 GLU HB2 1 42 ILE H 3.000 . 5.600 2.893 2.473 3.705 . 0 0 "[ . 1 . 2]" 1 248 1 41 GLU H 1 42 ILE MD 3.000 . 6.000 4.714 3.857 5.310 . 0 0 "[ . 1 . 2]" 1 249 1 41 GLU H 1 42 ILE QG 3.000 . 6.000 4.141 3.891 4.371 . 0 0 "[ . 1 . 2]" 1 250 1 41 GLU H 1 42 ILE H 3.000 . 5.600 2.754 2.647 2.903 . 0 0 "[ . 1 . 2]" 1 251 1 41 GLU H 1 43 LYS H 3.000 . 5.600 3.931 3.807 4.039 . 0 0 "[ . 1 . 2]" 1 252 1 41 GLU HA 1 44 GLU H 3.700 . 5.000 3.857 3.706 4.062 . 0 0 "[ . 1 . 2]" 1 253 1 41 GLU HA 1 45 LEU H 3.000 . 5.600 4.292 3.994 4.543 . 0 0 "[ . 1 . 2]" 1 254 1 41 GLU HB3 1 94 PHE QD 3.000 . 6.000 5.285 4.611 5.982 . 0 0 "[ . 1 . 2]" 1 255 1 41 GLU HB2 1 94 PHE QD 3.000 . 6.000 5.552 4.516 6.033 0.033 4 0 "[ . 1 . 2]" 1 256 1 41 GLU HB2 1 94 PHE QE 3.000 . 6.000 4.634 3.174 5.506 . 0 0 "[ . 1 . 2]" 1 257 1 42 ILE H 1 42 ILE HA 3.000 . 5.600 2.819 2.804 2.836 . 0 0 "[ . 1 . 2]" 1 258 1 42 ILE H 1 42 ILE HB 3.000 . 4.600 2.714 2.566 2.986 . 0 0 "[ . 1 . 2]" 1 259 1 42 ILE H 1 42 ILE MD 3.000 . 5.000 2.898 2.057 3.483 . 0 0 "[ . 1 . 2]" 1 260 1 42 ILE H 1 42 ILE HG13 3.000 . 4.600 2.865 1.894 3.555 . 0 0 "[ . 1 . 2]" 1 261 1 42 ILE H 1 42 ILE MG 3.000 . 4.600 3.761 3.710 3.775 . 0 0 "[ . 1 . 2]" 1 262 1 42 ILE MG 1 43 LYS H 3.000 . 5.000 3.782 3.538 4.005 . 0 0 "[ . 1 . 2]" 1 263 1 42 ILE H 1 43 LYS H 3.000 . 4.600 2.631 2.572 2.694 . 0 0 "[ . 1 . 2]" 1 264 1 42 ILE HB 1 43 LYS H 3.000 . 4.600 2.756 2.592 2.898 . 0 0 "[ . 1 . 2]" 1 265 1 42 ILE HA 1 45 LEU H 3.700 . 5.000 3.640 3.393 3.821 . 0 0 "[ . 1 . 2]" 1 266 1 42 ILE HA 1 46 CYS H 3.000 . 5.600 4.055 3.760 4.401 . 0 0 "[ . 1 . 2]" 1 267 1 42 ILE QG 1 94 PHE QE 3.000 . 6.000 3.647 2.609 5.073 . 0 0 "[ . 1 . 2]" 1 268 1 42 ILE QG 1 94 PHE HZ 3.000 . 6.000 4.767 3.671 5.775 . 0 0 "[ . 1 . 2]" 1 269 1 42 ILE MG 1 94 PHE QD 3.000 . 6.000 5.952 5.746 6.042 0.042 9 0 "[ . 1 . 2]" 1 270 1 42 ILE MG 1 94 PHE QE 3.000 . 6.000 4.602 4.154 4.929 . 0 0 "[ . 1 . 2]" 1 271 1 42 ILE MG 1 94 PHE HZ 3.000 . 6.000 5.392 4.516 6.016 0.016 8 0 "[ . 1 . 2]" 1 272 1 43 LYS H 1 43 LYS HG3 3.000 . 5.600 4.065 2.946 4.586 . 0 0 "[ . 1 . 2]" 1 273 1 43 LYS H 1 43 LYS HG2 3.000 . 5.600 4.139 2.872 4.640 . 0 0 "[ . 1 . 2]" 1 274 1 43 LYS H 1 43 LYS HA 3.000 . 4.600 2.823 2.771 2.861 . 0 0 "[ . 1 . 2]" 1 275 1 43 LYS H 1 43 LYS HB3 3.000 . 4.600 3.015 2.375 3.535 . 0 0 "[ . 1 . 2]" 1 276 1 43 LYS H 1 43 LYS HB2 3.000 . 4.600 2.275 2.094 2.724 . 0 0 "[ . 1 . 2]" 1 277 1 43 LYS H 1 44 GLU H 3.000 . 4.600 2.795 2.639 2.950 . 0 0 "[ . 1 . 2]" 1 278 1 43 LYS QB 1 44 GLU H 3.000 . 5.000 2.315 2.149 2.493 . 0 0 "[ . 1 . 2]" 1 279 1 43 LYS HA 1 44 GLU H 3.000 . 5.600 3.574 3.565 3.581 . 0 0 "[ . 1 . 2]" 1 280 1 43 LYS HA 1 45 LEU H 3.000 . 5.600 4.233 4.070 4.388 . 0 0 "[ . 1 . 2]" 1 281 1 43 LYS QB 1 46 CYS H 3.000 . 6.000 5.073 4.771 5.416 . 0 0 "[ . 1 . 2]" 1 282 1 43 LYS HA 1 46 CYS H 3.700 . 5.000 3.595 3.261 3.937 . 0 0 "[ . 1 . 2]" 1 283 1 43 LYS H 1 46 CYS H 3.000 . 5.600 4.785 4.576 5.048 . 0 0 "[ . 1 . 2]" 1 284 1 43 LYS HA 1 47 GLN H 3.000 . 5.600 4.334 3.979 4.536 . 0 0 "[ . 1 . 2]" 1 285 1 44 GLU H 1 44 GLU HA 3.000 . 4.600 2.774 2.757 2.793 . 0 0 "[ . 1 . 2]" 1 286 1 44 GLU H 1 44 GLU QB 3.000 . 5.000 2.450 2.147 2.726 . 0 0 "[ . 1 . 2]" 1 287 1 44 GLU H 1 44 GLU QG 3.000 . 5.000 2.383 1.894 3.873 . 0 0 "[ . 1 . 2]" 1 288 1 44 GLU QG 1 46 CYS H 3.000 . 5.000 4.558 4.297 5.034 0.034 17 0 "[ . 1 . 2]" 1 289 1 44 GLU HA 1 46 CYS H 3.000 . 5.600 4.793 4.554 5.009 . 0 0 "[ . 1 . 2]" 1 290 1 44 GLU H 1 46 CYS H 3.000 . 5.600 4.548 4.284 4.883 . 0 0 "[ . 1 . 2]" 1 291 1 44 GLU HA 1 47 GLN H 3.700 . 5.000 3.707 3.637 3.854 . 0 0 "[ . 1 . 2]" 1 292 1 45 LEU H 1 45 LEU MD1 3.000 . 6.000 3.704 2.614 4.313 . 0 0 "[ . 1 . 2]" 1 293 1 45 LEU H 1 45 LEU MD2 3.000 . 6.000 3.746 2.100 4.453 . 0 0 "[ . 1 . 2]" 1 294 1 45 LEU H 1 45 LEU HG 3.000 . 5.600 4.108 2.188 4.560 . 0 0 "[ . 1 . 2]" 1 295 1 45 LEU H 1 45 LEU HA 3.000 . 4.600 2.831 2.797 2.873 . 0 0 "[ . 1 . 2]" 1 296 1 45 LEU H 1 45 LEU HB3 3.000 . 4.600 3.131 2.503 3.595 . 0 0 "[ . 1 . 2]" 1 297 1 45 LEU H 1 45 LEU HB2 3.000 . 4.600 2.175 2.051 2.526 . 0 0 "[ . 1 . 2]" 1 298 1 45 LEU QB 1 46 CYS H 3.000 . 5.000 2.394 2.185 2.697 . 0 0 "[ . 1 . 2]" 1 299 1 45 LEU H 1 46 CYS H 3.000 . 4.600 2.722 2.453 2.962 . 0 0 "[ . 1 . 2]" 1 300 1 45 LEU HA 1 46 CYS H 3.000 . 5.600 3.560 3.530 3.581 . 0 0 "[ . 1 . 2]" 1 301 1 45 LEU QD 1 46 CYS H 3.000 . 6.000 3.728 2.491 4.064 . 0 0 "[ . 1 . 2]" 1 302 1 45 LEU MD1 1 47 GLN H 3.000 . 6.500 5.776 4.710 6.364 . 0 0 "[ . 1 . 2]" 1 303 1 45 LEU MD2 1 47 GLN H 3.000 . 6.500 5.734 4.602 6.379 . 0 0 "[ . 1 . 2]" 1 304 1 45 LEU H 1 47 GLN H 3.000 . 5.600 4.042 3.924 4.140 . 0 0 "[ . 1 . 2]" 1 305 1 45 LEU H 1 48 SER H 3.000 . 5.600 4.573 4.405 4.715 . 0 0 "[ . 1 . 2]" 1 306 1 45 LEU QD 1 49 HIS H 3.000 . 6.000 4.491 3.349 5.847 . 0 0 "[ . 1 . 2]" 1 307 1 45 LEU QD 1 111 LEU QD 3.700 . 6.000 3.981 2.803 5.528 . 0 0 "[ . 1 . 2]" 1 308 1 46 CYS H 1 46 CYS QB 3.000 . 5.000 2.364 2.095 2.601 . 0 0 "[ . 1 . 2]" 1 309 1 46 CYS H 1 46 CYS HA 3.000 . 5.600 2.760 2.725 2.787 . 0 0 "[ . 1 . 2]" 1 310 1 46 CYS H 1 47 GLN H 3.000 . 4.600 2.806 2.711 2.910 . 0 0 "[ . 1 . 2]" 1 311 1 46 CYS HB2 1 47 GLN H 3.000 . 5.600 3.005 2.580 3.966 . 0 0 "[ . 1 . 2]" 1 312 1 46 CYS HA 1 47 GLN H 3.000 . 5.600 3.525 3.507 3.551 . 0 0 "[ . 1 . 2]" 1 313 1 46 CYS HB3 1 47 GLN H 3.000 . 5.600 3.610 3.050 3.936 . 0 0 "[ . 1 . 2]" 1 314 1 46 CYS HA 1 49 HIS H 3.700 . 5.000 3.933 3.658 4.183 . 0 0 "[ . 1 . 2]" 1 315 1 46 CYS HA 1 51 ILE MD 3.700 . 5.500 2.969 2.170 3.787 . 0 0 "[ . 1 . 2]" 1 316 1 46 CYS HA 1 51 ILE HB 3.700 . 5.000 2.963 2.496 3.429 . 0 0 "[ . 1 . 2]" 1 317 1 46 CYS HB3 1 51 ILE H 3.000 . 5.600 4.172 3.444 5.510 . 0 0 "[ . 1 . 2]" 1 318 1 46 CYS HB2 1 51 ILE H 3.000 . 5.600 4.908 3.814 5.427 . 0 0 "[ . 1 . 2]" 1 319 1 46 CYS H 1 51 ILE MD 3.000 . 6.000 5.094 4.322 5.890 . 0 0 "[ . 1 . 2]" 1 320 1 46 CYS QB 1 53 VAL H 3.000 . 6.500 4.076 3.394 4.607 . 0 0 "[ . 1 . 2]" 1 321 1 47 GLN H 1 47 GLN QG 3.000 . 6.000 3.452 2.271 4.029 . 0 0 "[ . 1 . 2]" 1 322 1 47 GLN H 1 47 GLN HA 3.000 . 4.600 2.866 2.849 2.888 . 0 0 "[ . 1 . 2]" 1 323 1 47 GLN H 1 47 GLN HB3 3.000 . 4.600 3.088 2.535 3.596 . 0 0 "[ . 1 . 2]" 1 324 1 47 GLN H 1 47 GLN HB2 3.000 . 4.600 2.351 2.097 3.611 . 0 0 "[ . 1 . 2]" 1 325 1 47 GLN QB 1 48 SER H 3.000 . 5.000 2.708 2.310 3.562 . 0 0 "[ . 1 . 2]" 1 326 1 47 GLN QG 1 48 SER H 3.000 . 6.000 4.139 2.292 4.571 . 0 0 "[ . 1 . 2]" 1 327 1 47 GLN HA 1 48 SER H 3.000 . 5.600 3.516 3.465 3.561 . 0 0 "[ . 1 . 2]" 1 328 1 47 GLN H 1 48 SER H 3.000 . 4.600 2.490 2.354 2.608 . 0 0 "[ . 1 . 2]" 1 329 1 47 GLN QB 1 49 HIS H 3.000 . 6.000 4.814 4.523 5.266 . 0 0 "[ . 1 . 2]" 1 330 1 47 GLN H 1 49 HIS H 3.000 . 5.600 4.238 3.974 4.482 . 0 0 "[ . 1 . 2]" 1 331 1 47 GLN HA 1 50 ASN H 3.000 . 5.600 3.118 2.967 3.310 . 0 0 "[ . 1 . 2]" 1 332 1 47 GLN H 1 50 ASN HA 3.000 . 5.600 5.463 5.113 5.644 0.044 6 0 "[ . 1 . 2]" 1 333 1 47 GLN H 1 50 ASN H 3.000 . 5.600 4.628 4.488 4.910 . 0 0 "[ . 1 . 2]" 1 334 1 47 GLN H 1 51 ILE H 3.000 . 5.600 4.851 4.643 5.101 . 0 0 "[ . 1 . 2]" 1 335 1 48 SER H 1 48 SER HA 3.000 . 4.600 2.772 2.750 2.813 . 0 0 "[ . 1 . 2]" 1 336 1 48 SER H 1 48 SER HB3 3.000 . 4.600 3.166 2.249 3.587 . 0 0 "[ . 1 . 2]" 1 337 1 48 SER H 1 48 SER HB2 3.000 . 4.600 2.360 2.074 3.542 . 0 0 "[ . 1 . 2]" 1 338 1 48 SER H 1 49 HIS QB 3.000 . 6.000 4.751 4.509 5.133 . 0 0 "[ . 1 . 2]" 1 339 1 48 SER HA 1 49 HIS H 3.000 . 5.600 3.543 3.515 3.552 . 0 0 "[ . 1 . 2]" 1 340 1 48 SER QB 1 49 HIS H 3.000 . 6.000 2.640 2.467 3.306 . 0 0 "[ . 1 . 2]" 1 341 1 48 SER H 1 49 HIS H 3.000 . 5.600 2.814 2.707 2.873 . 0 0 "[ . 1 . 2]" 1 342 1 48 SER QB 1 50 ASN H 3.000 . 6.000 4.381 4.299 4.763 . 0 0 "[ . 1 . 2]" 1 343 1 48 SER H 1 50 ASN H 3.000 . 5.600 3.796 3.690 3.885 . 0 0 "[ . 1 . 2]" 1 344 1 48 SER H 1 50 ASN HA 3.000 . 5.600 5.421 5.253 5.555 . 0 0 "[ . 1 . 2]" 1 345 1 48 SER H 1 51 ILE H 3.000 . 5.600 5.302 4.940 5.633 0.033 2 0 "[ . 1 . 2]" 1 346 1 49 HIS H 1 49 HIS HA 3.000 . 5.600 2.918 2.884 2.947 . 0 0 "[ . 1 . 2]" 1 347 1 49 HIS H 1 49 HIS HB3 3.000 . 5.600 3.291 2.512 3.708 . 0 0 "[ . 1 . 2]" 1 348 1 49 HIS H 1 49 HIS HB2 3.000 . 5.600 2.376 2.129 2.788 . 0 0 "[ . 1 . 2]" 1 349 1 49 HIS HB2 1 50 ASN H 3.000 . 5.600 3.826 3.384 4.395 . 0 0 "[ . 1 . 2]" 1 350 1 49 HIS HB3 1 50 ASN H 3.000 . 5.600 3.926 3.469 4.434 . 0 0 "[ . 1 . 2]" 1 351 1 49 HIS HA 1 50 ASN H 3.000 . 5.600 3.271 3.127 3.381 . 0 0 "[ . 1 . 2]" 1 352 1 49 HIS H 1 50 ASN HA 3.000 . 5.600 4.566 4.371 4.696 . 0 0 "[ . 1 . 2]" 1 353 1 49 HIS H 1 50 ASN QB 3.000 . 6.000 5.079 4.734 5.323 . 0 0 "[ . 1 . 2]" 1 354 1 49 HIS H 1 50 ASN H 3.000 . 4.600 2.392 2.285 2.529 . 0 0 "[ . 1 . 2]" 1 355 1 49 HIS HA 1 51 ILE H 3.000 . 5.600 5.115 4.622 5.470 . 0 0 "[ . 1 . 2]" 1 356 1 49 HIS HB3 1 51 ILE H 3.000 . 5.600 4.077 2.855 5.381 . 0 0 "[ . 1 . 2]" 1 357 1 49 HIS HB2 1 51 ILE H 3.000 . 5.600 4.291 3.538 5.618 0.018 1 0 "[ . 1 . 2]" 1 358 1 49 HIS H 1 51 ILE H 3.000 . 5.600 3.925 3.604 4.169 . 0 0 "[ . 1 . 2]" 1 359 1 49 HIS H 1 51 ILE HB 3.000 . 5.600 5.299 4.877 5.597 . 0 0 "[ . 1 . 2]" 1 360 1 49 HIS H 1 51 ILE MD 3.000 . 6.000 3.822 2.992 4.493 . 0 0 "[ . 1 . 2]" 1 361 1 50 ASN H 1 50 ASN HB3 3.000 . 5.600 4.004 3.656 4.095 . 0 0 "[ . 1 . 2]" 1 362 1 50 ASN H 1 50 ASN HB2 3.000 . 5.600 3.425 3.000 3.722 . 0 0 "[ . 1 . 2]" 1 363 1 50 ASN H 1 50 ASN HA 3.000 . 4.600 2.270 2.264 2.278 . 0 0 "[ . 1 . 2]" 1 364 1 50 ASN HA 1 51 ILE H 3.000 . 4.600 2.675 2.531 2.944 . 0 0 "[ . 1 . 2]" 1 365 1 50 ASN H 1 51 ILE H 3.000 . 4.600 2.813 2.626 3.014 . 0 0 "[ . 1 . 2]" 1 366 1 50 ASN HB3 1 51 ILE H 3.000 . 5.600 4.385 4.248 4.504 . 0 0 "[ . 1 . 2]" 1 367 1 50 ASN HB2 1 51 ILE H 3.000 . 5.600 4.401 4.188 4.652 . 0 0 "[ . 1 . 2]" 1 368 1 50 ASN H 1 51 ILE HB 3.000 . 5.600 5.194 4.905 5.404 . 0 0 "[ . 1 . 2]" 1 369 1 50 ASN H 1 51 ILE MD 3.000 . 6.000 4.590 3.991 5.065 . 0 0 "[ . 1 . 2]" 1 370 1 51 ILE H 1 51 ILE HB 3.000 . 4.600 2.705 2.587 2.849 . 0 0 "[ . 1 . 2]" 1 371 1 51 ILE H 1 51 ILE QG 3.000 . 5.000 2.359 2.099 2.659 . 0 0 "[ . 1 . 2]" 1 372 1 51 ILE H 1 51 ILE HA 3.000 . 5.600 2.940 2.900 2.953 . 0 0 "[ . 1 . 2]" 1 373 1 51 ILE H 1 51 ILE MD 3.000 . 6.000 3.556 3.153 3.879 . 0 0 "[ . 1 . 2]" 1 374 1 51 ILE H 1 51 ILE MG 3.000 . 6.000 3.859 3.804 3.905 . 0 0 "[ . 1 . 2]" 1 375 1 51 ILE H 1 52 PRO HD3 3.000 . 5.600 3.952 3.714 4.267 . 0 0 "[ . 1 . 2]" 1 376 1 51 ILE H 1 52 PRO HD2 3.000 . 5.600 4.921 4.731 5.141 . 0 0 "[ . 1 . 2]" 1 377 1 51 ILE QG 1 111 LEU QD 3.700 . 6.000 5.068 3.181 5.892 . 0 0 "[ . 1 . 2]" 1 378 1 52 PRO HA 1 53 VAL H 3.000 . 4.600 2.172 2.125 2.249 . 0 0 "[ . 1 . 2]" 1 379 1 52 PRO QB 1 53 VAL H 3.000 . 6.000 3.549 3.227 3.738 . 0 0 "[ . 1 . 2]" 1 380 1 52 PRO QG 1 53 VAL H 3.000 . 6.000 4.782 4.658 4.844 . 0 0 "[ . 1 . 2]" 1 381 1 53 VAL H 1 53 VAL HA 3.000 . 5.600 2.890 2.873 2.920 . 0 0 "[ . 1 . 2]" 1 382 1 53 VAL H 1 53 VAL HB 3.000 . 5.600 3.584 2.936 3.995 . 0 0 "[ . 1 . 2]" 1 383 1 53 VAL H 1 53 VAL QG 3.000 . 6.000 2.491 2.145 2.983 . 0 0 "[ . 1 . 2]" 1 384 1 53 VAL MG1 1 54 GLU H 3.000 . 6.000 3.090 1.804 3.894 . 0 0 "[ . 1 . 2]" 1 385 1 53 VAL MG2 1 54 GLU H 3.000 . 6.000 3.291 1.875 4.037 . 0 0 "[ . 1 . 2]" 1 386 1 53 VAL H 1 54 GLU H 3.000 . 5.600 4.379 4.359 4.405 . 0 0 "[ . 1 . 2]" 1 387 1 53 VAL HA 1 54 GLU H 3.000 . 4.600 2.409 2.280 2.480 . 0 0 "[ . 1 . 2]" 1 388 1 54 GLU H 1 54 GLU HA 3.000 . 5.600 2.947 2.941 2.952 . 0 0 "[ . 1 . 2]" 1 389 1 54 GLU H 1 54 GLU QB 3.000 . 6.000 2.868 2.760 3.020 . 0 0 "[ . 1 . 2]" 1 390 1 54 GLU H 1 54 GLU HG3 3.000 . 5.600 3.100 2.182 3.617 . 0 0 "[ . 1 . 2]" 1 391 1 54 GLU H 1 54 GLU HG2 3.000 . 5.600 2.794 2.485 3.587 . 0 0 "[ . 1 . 2]" 1 392 1 54 GLU HA 1 55 LEU H 3.000 . 4.600 2.144 2.113 2.170 . 0 0 "[ . 1 . 2]" 1 393 1 54 GLU QG 1 55 LEU H 3.000 . 6.000 4.609 4.384 4.745 . 0 0 "[ . 1 . 2]" 1 394 1 54 GLU HB2 1 55 LEU H 3.000 . 5.600 4.052 3.440 4.210 . 0 0 "[ . 1 . 2]" 1 395 1 54 GLU HB3 1 55 LEU H 3.000 . 5.600 3.607 3.489 4.305 . 0 0 "[ . 1 . 2]" 1 396 1 54 GLU H 1 55 LEU H 3.000 . 5.600 4.214 4.166 4.276 . 0 0 "[ . 1 . 2]" 1 397 1 55 LEU H 1 55 LEU HA 3.000 . 5.600 2.913 2.890 2.934 . 0 0 "[ . 1 . 2]" 1 398 1 55 LEU H 1 55 LEU MD2 3.000 . 6.000 4.209 3.812 4.423 . 0 0 "[ . 1 . 2]" 1 399 1 55 LEU H 1 55 LEU MD1 3.000 . 6.000 4.203 3.832 4.477 . 0 0 "[ . 1 . 2]" 1 400 1 55 LEU H 1 55 LEU QB 3.000 . 5.000 2.296 2.189 2.365 . 0 0 "[ . 1 . 2]" 1 401 1 55 LEU H 1 55 LEU HG 3.000 . 4.600 4.467 4.209 4.573 . 0 0 "[ . 1 . 2]" 1 402 1 55 LEU HA 1 56 ILE H 3.000 . 4.600 2.125 2.085 2.166 . 0 0 "[ . 1 . 2]" 1 403 1 55 LEU QB 1 56 ILE H 3.000 . 6.000 3.818 3.731 3.892 . 0 0 "[ . 1 . 2]" 1 404 1 55 LEU H 1 56 ILE H 3.000 . 5.600 4.372 4.321 4.418 . 0 0 "[ . 1 . 2]" 1 405 1 55 LEU QD 1 111 LEU QD 3.700 . 6.000 5.698 4.322 6.070 0.070 3 0 "[ . 1 . 2]" 1 406 1 56 ILE H 1 56 ILE HA 3.000 . 5.600 2.940 2.934 2.947 . 0 0 "[ . 1 . 2]" 1 407 1 56 ILE H 1 56 ILE HG13 3.000 . 5.600 3.639 2.107 4.545 . 0 0 "[ . 1 . 2]" 1 408 1 56 ILE H 1 56 ILE HG12 3.000 . 5.600 3.480 1.891 4.850 . 0 0 "[ . 1 . 2]" 1 409 1 56 ILE H 1 56 ILE MG 3.000 . 6.000 2.760 1.977 3.572 . 0 0 "[ . 1 . 2]" 1 410 1 56 ILE H 1 56 ILE HB 3.000 . 4.600 3.148 2.660 3.542 . 0 0 "[ . 1 . 2]" 1 411 1 56 ILE H 1 56 ILE MD 3.000 . 5.500 3.852 1.945 4.629 . 0 0 "[ . 1 . 2]" 1 412 1 56 ILE HA 1 57 GLN H 3.000 . 4.600 2.317 2.304 2.334 . 0 0 "[ . 1 . 2]" 1 413 1 56 ILE MG 1 57 GLN H 3.000 . 6.000 3.340 2.861 3.792 . 0 0 "[ . 1 . 2]" 1 414 1 56 ILE HG12 1 57 GLN H 3.000 . 5.600 3.949 2.697 5.158 . 0 0 "[ . 1 . 2]" 1 415 1 56 ILE HG13 1 57 GLN H 3.000 . 5.600 3.299 1.853 5.192 . 0 0 "[ . 1 . 2]" 1 416 1 56 ILE HB 1 57 GLN H 3.000 . 5.600 3.499 2.791 4.139 . 0 0 "[ . 1 . 2]" 1 417 1 56 ILE MD 1 57 GLN H 3.000 . 6.000 4.054 2.045 4.936 . 0 0 "[ . 1 . 2]" 1 418 1 56 ILE H 1 57 GLN H 3.000 . 5.600 4.555 4.525 4.575 . 0 0 "[ . 1 . 2]" 1 419 1 56 ILE H 1 57 GLN HA 3.000 . 5.600 5.057 4.964 5.120 . 0 0 "[ . 1 . 2]" 1 420 1 56 ILE QG 1 58 CYS H 3.000 . 6.000 5.242 4.322 6.006 0.006 7 0 "[ . 1 . 2]" 1 421 1 56 ILE MG 1 58 CYS H 3.000 . 6.000 5.315 4.259 6.078 0.078 3 0 "[ . 1 . 2]" 1 422 1 56 ILE MD 1 66 TYR QD 3.000 . 7.000 4.210 2.896 5.435 . 0 0 "[ . 1 . 2]" 1 423 1 56 ILE MD 1 66 TYR QE 3.000 . 7.000 4.969 1.794 6.824 0.006 14 0 "[ . 1 . 2]" 1 424 1 56 ILE MG 1 66 TYR QD 3.000 . 7.000 4.760 3.095 5.623 . 0 0 "[ . 1 . 2]" 1 425 1 56 ILE MG 1 66 TYR QE 3.000 . 7.000 5.566 2.255 6.984 . 0 0 "[ . 1 . 2]" 1 426 1 57 GLN H 1 57 GLN HA 3.000 . 5.600 2.942 2.939 2.947 . 0 0 "[ . 1 . 2]" 1 427 1 57 GLN H 1 57 GLN QB 3.000 . 5.000 2.651 2.290 3.097 . 0 0 "[ . 1 . 2]" 1 428 1 57 GLN H 1 57 GLN QG 3.000 . 5.000 3.247 1.858 4.201 . 0 0 "[ . 1 . 2]" 1 429 1 57 GLN HA 1 58 CYS H 3.000 . 4.600 2.210 2.163 2.301 . 0 0 "[ . 1 . 2]" 1 430 1 57 GLN QB 1 58 CYS H 3.000 . 6.000 3.247 2.775 3.793 . 0 0 "[ . 1 . 2]" 1 431 1 57 GLN QG 1 58 CYS H 3.000 . 6.000 3.619 2.423 4.471 . 0 0 "[ . 1 . 2]" 1 432 1 57 GLN H 1 58 CYS H 3.000 . 5.600 4.382 4.277 4.512 . 0 0 "[ . 1 . 2]" 1 433 1 58 CYS H 1 58 CYS HA 3.000 . 5.600 2.895 2.862 2.929 . 0 0 "[ . 1 . 2]" 1 434 1 58 CYS H 1 58 CYS HB3 3.000 . 5.600 3.746 3.506 3.979 . 0 0 "[ . 1 . 2]" 1 435 1 58 CYS H 1 58 CYS HB2 3.000 . 5.600 2.833 2.658 3.117 . 0 0 "[ . 1 . 2]" 1 436 1 58 CYS HA 1 59 ARG H 3.000 . 4.600 2.490 2.478 2.506 . 0 0 "[ . 1 . 2]" 1 437 1 58 CYS HB2 1 59 ARG H 3.000 . 5.600 3.767 3.165 3.983 . 0 0 "[ . 1 . 2]" 1 438 1 58 CYS HB3 1 59 ARG H 3.000 . 5.600 2.466 2.332 2.640 . 0 0 "[ . 1 . 2]" 1 439 1 58 CYS H 1 59 ARG H 3.000 . 5.600 4.404 4.370 4.437 . 0 0 "[ . 1 . 2]" 1 440 1 58 CYS HA 1 66 TYR QE 3.000 . 7.000 5.549 4.323 6.602 . 0 0 "[ . 1 . 2]" 1 441 1 58 CYS HB3 1 66 TYR QD 3.000 . 7.000 4.454 3.494 5.622 . 0 0 "[ . 1 . 2]" 1 442 1 58 CYS HB3 1 66 TYR QE 3.000 . 7.000 4.666 1.976 6.325 . 0 0 "[ . 1 . 2]" 1 443 1 58 CYS HB2 1 66 TYR QD 3.000 . 7.000 4.874 3.909 6.045 . 0 0 "[ . 1 . 2]" 1 444 1 58 CYS HB2 1 66 TYR QE 3.000 . 7.000 5.316 2.106 7.000 . 0 0 "[ . 1 . 2]" 1 445 1 59 ARG H 1 59 ARG QD 3.000 . 6.000 3.036 1.895 4.595 . 0 0 "[ . 1 . 2]" 1 446 1 59 ARG H 1 59 ARG QB 3.000 . 5.000 2.231 2.012 2.502 . 0 0 "[ . 1 . 2]" 1 447 1 59 ARG H 1 59 ARG QG 3.000 . 5.000 3.347 2.061 3.878 . 0 0 "[ . 1 . 2]" 1 448 1 59 ARG HA 1 60 VAL H 3.000 . 4.600 2.797 2.725 2.950 . 0 0 "[ . 1 . 2]" 1 449 1 59 ARG H 1 60 VAL HA 3.000 . 5.600 5.585 5.457 5.679 0.079 4 0 "[ . 1 . 2]" 1 450 1 59 ARG QD 1 60 VAL H 3.000 . 6.000 3.806 1.946 4.590 . 0 0 "[ . 1 . 2]" 1 451 1 59 ARG H 1 60 VAL H 3.000 . 5.600 4.382 4.271 4.428 . 0 0 "[ . 1 . 2]" 1 452 1 59 ARG H 1 60 VAL QG 3.000 . 6.000 5.237 5.006 5.444 . 0 0 "[ . 1 . 2]" 1 453 1 59 ARG H 1 61 ASN H 3.000 . 5.600 4.296 4.098 4.542 . 0 0 "[ . 1 . 2]" 1 454 1 59 ARG HA 1 61 ASN H 3.000 . 5.600 4.349 4.257 4.429 . 0 0 "[ . 1 . 2]" 1 455 1 59 ARG HB3 1 61 ASN H 3.000 . 5.600 2.616 2.071 3.244 . 0 0 "[ . 1 . 2]" 1 456 1 59 ARG HB2 1 61 ASN H 3.000 . 5.600 3.167 2.437 3.960 . 0 0 "[ . 1 . 2]" 1 457 1 59 ARG HB3 1 62 GLU H 3.000 . 5.600 5.100 4.207 5.630 0.030 4 0 "[ . 1 . 2]" 1 458 1 59 ARG HB2 1 62 GLU H 3.000 . 5.600 4.895 4.323 5.632 0.032 10 0 "[ . 1 . 2]" 1 459 1 59 ARG QD 1 62 GLU H 3.000 . 6.000 5.748 5.455 6.007 0.007 1 0 "[ . 1 . 2]" 1 460 1 59 ARG H 1 62 GLU H 3.000 . 5.600 4.683 4.199 5.476 . 0 0 "[ . 1 . 2]" 1 461 1 59 ARG H 1 62 GLU QB 3.000 . 6.000 2.556 1.938 3.253 . 0 0 "[ . 1 . 2]" 1 462 1 59 ARG H 1 63 ILE H 3.000 . 5.600 4.766 4.137 5.318 . 0 0 "[ . 1 . 2]" 1 463 1 60 VAL H 1 60 VAL HA 3.000 . 5.600 2.873 2.833 2.925 . 0 0 "[ . 1 . 2]" 1 464 1 60 VAL H 1 60 VAL HB 3.000 . 4.600 3.023 2.491 3.663 . 0 0 "[ . 1 . 2]" 1 465 1 60 VAL H 1 60 VAL MG1 3.000 . 5.000 3.075 1.906 3.838 . 0 0 "[ . 1 . 2]" 1 466 1 60 VAL H 1 60 VAL MG2 3.000 . 5.000 2.327 1.883 3.789 . 0 0 "[ . 1 . 2]" 1 467 1 60 VAL QG 1 61 ASN H 3.000 . 5.000 2.984 2.146 3.612 . 0 0 "[ . 1 . 2]" 1 468 1 60 VAL HA 1 61 ASN H 3.000 . 5.600 3.391 3.314 3.456 . 0 0 "[ . 1 . 2]" 1 469 1 60 VAL HB 1 61 ASN H 3.000 . 5.600 3.737 3.079 4.375 . 0 0 "[ . 1 . 2]" 1 470 1 60 VAL QG 1 62 GLU H 3.000 . 6.000 4.808 4.456 5.124 . 0 0 "[ . 1 . 2]" 1 471 1 60 VAL HA 1 62 GLU H 3.000 . 5.600 4.513 3.907 4.956 . 0 0 "[ . 1 . 2]" 1 472 1 60 VAL H 1 62 GLU QB 3.000 . 6.000 5.101 4.732 5.513 . 0 0 "[ . 1 . 2]" 1 473 1 60 VAL H 1 62 GLU H 3.000 . 5.600 5.122 4.660 5.461 . 0 0 "[ . 1 . 2]" 1 474 1 60 VAL HA 1 63 ILE H 3.000 . 5.600 5.101 4.416 5.565 . 0 0 "[ . 1 . 2]" 1 475 1 60 VAL QG 1 63 ILE H 3.000 . 6.000 5.590 5.155 5.885 . 0 0 "[ . 1 . 2]" 1 476 1 60 VAL QG 1 63 ILE MD 3.700 . 6.000 4.286 3.011 5.763 . 0 0 "[ . 1 . 2]" 1 477 1 61 ASN H 1 61 ASN HA 3.000 . 5.600 2.933 2.907 2.948 . 0 0 "[ . 1 . 2]" 1 478 1 61 ASN H 1 61 ASN HB3 3.000 . 5.600 3.407 2.924 3.885 . 0 0 "[ . 1 . 2]" 1 479 1 61 ASN H 1 61 ASN HB2 3.000 . 5.600 3.076 2.572 3.796 . 0 0 "[ . 1 . 2]" 1 480 1 61 ASN HB3 1 62 GLU H 3.000 . 5.600 4.387 4.170 4.629 . 0 0 "[ . 1 . 2]" 1 481 1 61 ASN HB2 1 62 GLU H 3.000 . 5.600 4.470 4.258 4.645 . 0 0 "[ . 1 . 2]" 1 482 1 61 ASN H 1 62 GLU H 3.000 . 5.600 3.118 2.722 3.433 . 0 0 "[ . 1 . 2]" 1 483 1 61 ASN H 1 63 ILE H 3.000 . 5.600 4.568 4.246 4.913 . 0 0 "[ . 1 . 2]" 1 484 1 62 GLU H 1 62 GLU HA 3.000 . 4.600 2.901 2.855 2.935 . 0 0 "[ . 1 . 2]" 1 485 1 62 GLU H 1 62 GLU QB 3.000 . 5.000 2.764 2.581 2.859 . 0 0 "[ . 1 . 2]" 1 486 1 62 GLU H 1 63 ILE H 3.000 . 4.600 1.797 1.743 1.865 0.057 18 0 "[ . 1 . 2]" 1 487 1 62 GLU H 1 63 ILE HA 3.000 . 5.600 4.456 4.404 4.542 . 0 0 "[ . 1 . 2]" 1 488 1 62 GLU QB 1 63 ILE H 3.000 . 6.000 2.729 2.596 2.871 . 0 0 "[ . 1 . 2]" 1 489 1 62 GLU HA 1 63 ILE H 3.000 . 5.600 3.514 3.492 3.533 . 0 0 "[ . 1 . 2]" 1 490 1 62 GLU H 1 63 ILE HB 3.000 . 5.600 4.426 3.815 5.212 . 0 0 "[ . 1 . 2]" 1 491 1 62 GLU H 1 63 ILE MD 3.000 . 6.000 3.628 2.295 4.841 . 0 0 "[ . 1 . 2]" 1 492 1 62 GLU H 1 63 ILE HG13 3.000 . 5.600 3.451 2.604 4.263 . 0 0 "[ . 1 . 2]" 1 493 1 62 GLU H 1 63 ILE HG12 3.000 . 5.600 4.331 2.686 5.333 . 0 0 "[ . 1 . 2]" 1 494 1 62 GLU HA 1 64 GLU H 3.000 . 5.600 4.063 3.745 4.464 . 0 0 "[ . 1 . 2]" 1 495 1 62 GLU H 1 64 GLU H 3.000 . 5.600 3.193 2.936 3.588 . 0 0 "[ . 1 . 2]" 1 496 1 62 GLU H 1 65 THR H 3.000 . 5.600 4.465 4.260 4.694 . 0 0 "[ . 1 . 2]" 1 497 1 62 GLU QB 1 65 THR H 3.000 . 6.000 4.714 4.434 5.258 . 0 0 "[ . 1 . 2]" 1 498 1 62 GLU HA 1 65 THR H 3.000 . 5.600 3.320 3.044 3.712 . 0 0 "[ . 1 . 2]" 1 499 1 62 GLU HA 1 66 TYR QE 3.000 . 6.000 4.137 3.013 6.035 0.035 8 0 "[ . 1 . 2]" 1 500 1 62 GLU QB 1 66 TYR QD 3.000 . 6.000 2.958 1.896 4.586 . 0 0 "[ . 1 . 2]" 1 501 1 62 GLU QB 1 66 TYR QE 3.000 . 6.000 3.021 1.833 4.668 . 0 0 "[ . 1 . 2]" 1 502 1 62 GLU H 1 66 TYR H 3.000 . 5.600 5.567 5.399 5.671 0.071 3 0 "[ . 1 . 2]" 1 503 1 63 ILE H 1 63 ILE HB 3.000 . 4.600 3.040 2.524 3.616 . 0 0 "[ . 1 . 2]" 1 504 1 63 ILE H 1 63 ILE HA 3.000 . 5.600 2.772 2.750 2.810 . 0 0 "[ . 1 . 2]" 1 505 1 63 ILE H 1 63 ILE MD 3.000 . 6.000 2.974 1.782 4.005 0.018 3 0 "[ . 1 . 2]" 1 506 1 63 ILE H 1 63 ILE QG 3.000 . 6.000 2.033 1.773 2.611 0.027 10 0 "[ . 1 . 2]" 1 507 1 63 ILE H 1 63 ILE MG 3.000 . 6.000 3.279 2.217 3.774 . 0 0 "[ . 1 . 2]" 1 508 1 63 ILE MG 1 64 GLU H 3.000 . 6.000 3.843 3.482 4.128 . 0 0 "[ . 1 . 2]" 1 509 1 63 ILE QG 1 64 GLU H 3.000 . 6.000 3.333 1.822 4.329 . 0 0 "[ . 1 . 2]" 1 510 1 63 ILE MD 1 64 GLU H 3.000 . 6.000 3.671 2.666 4.826 . 0 0 "[ . 1 . 2]" 1 511 1 63 ILE HA 1 64 GLU H 3.000 . 5.600 3.509 3.451 3.542 . 0 0 "[ . 1 . 2]" 1 512 1 63 ILE HB 1 64 GLU H 3.000 . 5.600 3.019 2.420 3.840 . 0 0 "[ . 1 . 2]" 1 513 1 63 ILE H 1 64 GLU H 3.000 . 5.600 2.747 2.650 2.829 . 0 0 "[ . 1 . 2]" 1 514 1 63 ILE H 1 64 GLU QB 3.000 . 6.000 4.608 4.309 5.002 . 0 0 "[ . 1 . 2]" 1 515 1 63 ILE H 1 65 THR H 3.000 . 5.600 4.284 4.099 4.430 . 0 0 "[ . 1 . 2]" 1 516 1 63 ILE HB 1 65 THR H 3.000 . 5.600 5.222 4.900 5.612 0.012 14 0 "[ . 1 . 2]" 1 517 1 63 ILE HA 1 65 THR H 3.000 . 5.600 4.313 4.058 4.489 . 0 0 "[ . 1 . 2]" 1 518 1 63 ILE H 1 66 TYR H 3.000 . 5.600 4.728 4.570 4.912 . 0 0 "[ . 1 . 2]" 1 519 1 63 ILE HA 1 66 TYR H 3.000 . 5.600 3.419 3.118 3.633 . 0 0 "[ . 1 . 2]" 1 520 1 63 ILE HA 1 66 TYR QD 3.000 . 6.000 3.692 2.013 4.426 . 0 0 "[ . 1 . 2]" 1 521 1 63 ILE HA 1 66 TYR QE 3.000 . 6.000 5.193 2.055 6.054 0.054 4 0 "[ . 1 . 2]" 1 522 1 63 ILE HA 1 67 MET H 3.000 . 5.600 4.431 3.856 4.692 . 0 0 "[ . 1 . 2]" 1 523 1 63 ILE MG 1 67 MET H 3.000 . 6.000 4.905 3.912 6.056 0.056 12 0 "[ . 1 . 2]" 1 524 1 63 ILE HB 1 83 PHE QE 3.000 . 7.000 5.248 3.590 6.498 . 0 0 "[ . 1 . 2]" 1 525 1 63 ILE HB 1 83 PHE HZ 3.000 . 6.000 5.320 3.775 5.900 . 0 0 "[ . 1 . 2]" 1 526 1 63 ILE MD 1 83 PHE QE 3.000 . 7.000 4.751 2.184 6.339 . 0 0 "[ . 1 . 2]" 1 527 1 63 ILE MD 1 83 PHE HZ 3.000 . 6.500 4.518 2.194 6.006 . 0 0 "[ . 1 . 2]" 1 528 1 63 ILE MG 1 83 PHE QE 3.000 . 7.000 5.219 4.048 6.870 . 0 0 "[ . 1 . 2]" 1 529 1 63 ILE MG 1 83 PHE HZ 3.000 . 7.000 5.418 3.187 6.487 . 0 0 "[ . 1 . 2]" 1 530 1 63 ILE HB 1 86 ILE MD 3.700 . 5.000 3.853 2.943 4.628 . 0 0 "[ . 1 . 2]" 1 531 1 64 GLU H 1 64 GLU HA 3.000 . 4.600 2.811 2.745 2.866 . 0 0 "[ . 1 . 2]" 1 532 1 64 GLU H 1 64 GLU QB 3.000 . 5.000 2.294 2.044 2.619 . 0 0 "[ . 1 . 2]" 1 533 1 64 GLU H 1 64 GLU QG 3.000 . 5.000 3.185 1.895 3.969 . 0 0 "[ . 1 . 2]" 1 534 1 64 GLU HA 1 65 THR H 3.000 . 5.600 3.528 3.490 3.561 . 0 0 "[ . 1 . 2]" 1 535 1 64 GLU QB 1 65 THR H 3.000 . 6.000 2.720 2.448 3.578 . 0 0 "[ . 1 . 2]" 1 536 1 64 GLU QG 1 65 THR H 3.000 . 6.000 3.914 2.037 4.551 . 0 0 "[ . 1 . 2]" 1 537 1 64 GLU H 1 65 THR H 3.000 . 5.600 2.654 2.433 2.893 . 0 0 "[ . 1 . 2]" 1 538 1 64 GLU H 1 66 TYR H 3.000 . 5.600 4.111 3.996 4.258 . 0 0 "[ . 1 . 2]" 1 539 1 64 GLU QB 1 66 TYR H 3.000 . 6.000 4.793 4.485 5.421 . 0 0 "[ . 1 . 2]" 1 540 1 64 GLU HA 1 66 TYR H 3.000 . 5.600 4.638 4.422 4.797 . 0 0 "[ . 1 . 2]" 1 541 1 64 GLU HA 1 67 MET H 3.000 . 5.600 3.823 3.583 4.163 . 0 0 "[ . 1 . 2]" 1 542 1 64 GLU H 1 67 MET HG3 3.000 . 5.600 5.336 4.325 5.685 0.085 6 0 "[ . 1 . 2]" 1 543 1 64 GLU H 1 67 MET HG2 3.000 . 5.600 5.208 4.117 5.647 0.047 12 0 "[ . 1 . 2]" 1 544 1 64 GLU H 1 67 MET H 3.000 . 5.600 4.926 4.704 5.273 . 0 0 "[ . 1 . 2]" 1 545 1 64 GLU HA 1 83 PHE QE 3.000 . 7.000 3.860 2.282 5.016 . 0 0 "[ . 1 . 2]" 1 546 1 64 GLU QB 1 83 PHE QE 3.000 . 7.000 3.941 2.621 5.455 . 0 0 "[ . 1 . 2]" 1 547 1 64 GLU QG 1 83 PHE QE 3.000 . 7.000 3.256 1.869 5.792 . 0 0 "[ . 1 . 2]" 1 548 1 65 THR H 1 65 THR HA 3.000 . 4.600 2.870 2.847 2.886 . 0 0 "[ . 1 . 2]" 1 549 1 65 THR H 1 65 THR HB 3.000 . 4.600 3.283 2.658 3.639 . 0 0 "[ . 1 . 2]" 1 550 1 65 THR H 1 65 THR MG 3.000 . 6.000 2.982 1.895 3.773 . 0 0 "[ . 1 . 2]" 1 551 1 65 THR H 1 66 TYR H 3.000 . 4.600 2.500 2.418 2.575 . 0 0 "[ . 1 . 2]" 1 552 1 65 THR HA 1 66 TYR H 3.000 . 5.600 3.543 3.486 3.592 . 0 0 "[ . 1 . 2]" 1 553 1 65 THR HB 1 66 TYR H 3.000 . 5.600 3.223 2.566 3.863 . 0 0 "[ . 1 . 2]" 1 554 1 65 THR MG 1 66 TYR H 3.000 . 6.000 3.954 3.612 4.223 . 0 0 "[ . 1 . 2]" 1 555 1 65 THR HB 1 66 TYR QD 3.000 . 7.000 3.644 2.039 4.733 . 0 0 "[ . 1 . 2]" 1 556 1 65 THR HB 1 66 TYR QE 3.000 . 7.000 4.478 2.898 6.789 . 0 0 "[ . 1 . 2]" 1 557 1 65 THR H 1 67 MET H 3.000 . 5.600 3.819 3.665 4.001 . 0 0 "[ . 1 . 2]" 1 558 1 65 THR H 1 67 MET QG 3.000 . 6.000 5.149 3.930 5.722 . 0 0 "[ . 1 . 2]" 1 559 1 66 TYR H 1 66 TYR HA 3.000 . 5.600 2.903 2.868 2.920 . 0 0 "[ . 1 . 2]" 1 560 1 66 TYR H 1 66 TYR HB3 3.000 . 5.600 3.405 2.376 3.664 . 0 0 "[ . 1 . 2]" 1 561 1 66 TYR H 1 66 TYR HB2 3.000 . 5.600 2.671 2.192 3.706 . 0 0 "[ . 1 . 2]" 1 562 1 66 TYR H 1 67 MET QG 3.000 . 6.000 4.962 4.181 5.438 . 0 0 "[ . 1 . 2]" 1 563 1 66 TYR HA 1 67 MET H 3.000 . 5.600 3.146 3.086 3.311 . 0 0 "[ . 1 . 2]" 1 564 1 66 TYR QB 1 67 MET H 3.000 . 6.000 3.661 3.350 4.005 . 0 0 "[ . 1 . 2]" 1 565 1 66 TYR H 1 67 MET H 3.000 . 4.600 2.640 2.550 2.790 . 0 0 "[ . 1 . 2]" 1 566 1 66 TYR H 1 67 MET QB 3.000 . 6.000 4.204 4.043 4.539 . 0 0 "[ . 1 . 2]" 1 567 1 66 TYR H 1 68 ASP H 3.000 . 5.600 5.195 5.117 5.263 . 0 0 "[ . 1 . 2]" 1 568 1 67 MET H 1 67 MET HA 3.000 . 5.600 2.861 2.820 2.898 . 0 0 "[ . 1 . 2]" 1 569 1 67 MET H 1 67 MET HB3 3.000 . 4.600 3.052 2.678 3.313 . 0 0 "[ . 1 . 2]" 1 570 1 67 MET H 1 67 MET HB2 3.000 . 4.600 2.422 2.043 3.686 . 0 0 "[ . 1 . 2]" 1 571 1 67 MET H 1 67 MET HG3 3.000 . 4.600 3.867 2.141 4.551 . 0 0 "[ . 1 . 2]" 1 572 1 67 MET H 1 67 MET HG2 3.000 . 4.600 3.679 2.711 4.064 . 0 0 "[ . 1 . 2]" 1 573 1 67 MET H 1 68 ASP H 3.000 . 4.600 3.434 3.351 3.552 . 0 0 "[ . 1 . 2]" 1 574 1 67 MET HA 1 68 ASP H 3.000 . 5.600 2.719 2.650 2.750 . 0 0 "[ . 1 . 2]" 1 575 1 67 MET QB 1 68 ASP H 3.000 . 6.000 3.948 3.896 4.074 . 0 0 "[ . 1 . 2]" 1 576 1 67 MET QG 1 68 ASP H 3.000 . 6.000 4.549 3.893 4.905 . 0 0 "[ . 1 . 2]" 1 577 1 67 MET H 1 68 ASP QB 3.000 . 6.000 5.031 4.694 5.492 . 0 0 "[ . 1 . 2]" 1 578 1 67 MET HG3 1 70 VAL H 3.000 . 5.600 5.564 5.179 5.704 0.104 6 0 "[ . 1 . 2]" 1 579 1 67 MET H 1 70 VAL QG 3.000 . 6.000 4.338 3.935 4.977 . 0 0 "[ . 1 . 2]" 1 580 1 68 ASP H 1 68 ASP HA 3.000 . 4.600 2.832 2.770 2.901 . 0 0 "[ . 1 . 2]" 1 581 1 68 ASP H 1 68 ASP QB 3.000 . 5.000 2.190 2.030 2.661 . 0 0 "[ . 1 . 2]" 1 582 1 68 ASP HA 1 69 GLY H 3.000 . 4.600 3.531 3.477 3.573 . 0 0 "[ . 1 . 2]" 1 583 1 68 ASP QB 1 69 GLY H 3.000 . 6.000 2.757 2.473 3.435 . 0 0 "[ . 1 . 2]" 1 584 1 68 ASP H 1 69 GLY H 3.000 . 5.600 2.590 2.315 2.794 . 0 0 "[ . 1 . 2]" 1 585 1 68 ASP H 1 70 VAL H 3.000 . 5.600 4.568 3.848 5.021 . 0 0 "[ . 1 . 2]" 1 586 1 68 ASP HA 1 70 VAL H 3.000 . 5.600 5.220 4.434 5.567 . 0 0 "[ . 1 . 2]" 1 587 1 68 ASP QB 1 70 VAL H 3.000 . 6.000 5.141 4.740 5.888 . 0 0 "[ . 1 . 2]" 1 588 1 69 GLY H 1 69 GLY HA3 3.000 . 4.600 2.709 2.583 2.780 . 0 0 "[ . 1 . 2]" 1 589 1 69 GLY H 1 69 GLY HA2 3.000 . 4.600 2.883 2.836 2.940 . 0 0 "[ . 1 . 2]" 1 590 1 69 GLY HA3 1 70 VAL H 3.000 . 5.600 3.560 3.529 3.587 . 0 0 "[ . 1 . 2]" 1 591 1 69 GLY HA2 1 70 VAL H 3.000 . 5.600 2.565 2.384 2.836 . 0 0 "[ . 1 . 2]" 1 592 1 69 GLY H 1 70 VAL H 3.000 . 5.600 2.808 2.368 3.170 . 0 0 "[ . 1 . 2]" 1 593 1 69 GLY H 1 70 VAL HB 3.000 . 5.600 4.952 3.997 5.596 . 0 0 "[ . 1 . 2]" 1 594 1 69 GLY H 1 70 VAL QG 3.000 . 6.000 2.894 2.568 4.108 . 0 0 "[ . 1 . 2]" 1 595 1 70 VAL H 1 70 VAL HA 3.000 . 5.600 2.918 2.892 2.938 . 0 0 "[ . 1 . 2]" 1 596 1 70 VAL H 1 70 VAL HB 3.000 . 4.600 2.937 2.486 3.678 . 0 0 "[ . 1 . 2]" 1 597 1 70 VAL H 1 70 VAL MG1 3.000 . 4.600 3.284 1.933 3.858 . 0 0 "[ . 1 . 2]" 1 598 1 70 VAL H 1 70 VAL MG2 3.000 . 4.600 2.397 1.928 3.807 . 0 0 "[ . 1 . 2]" 1 599 1 70 VAL HA 1 71 HIS H 3.000 . 4.600 2.154 2.131 2.182 . 0 0 "[ . 1 . 2]" 1 600 1 70 VAL QG 1 71 HIS H 3.000 . 5.000 2.793 2.253 3.532 . 0 0 "[ . 1 . 2]" 1 601 1 70 VAL H 1 71 HIS H 3.000 . 5.600 4.476 4.422 4.522 . 0 0 "[ . 1 . 2]" 1 602 1 70 VAL HA 1 72 LEU H 3.000 . 5.600 3.667 3.588 3.774 . 0 0 "[ . 1 . 2]" 1 603 1 70 VAL QG 1 87 PRO QD 3.700 . 6.000 4.131 3.255 4.929 . 0 0 "[ . 1 . 2]" 1 604 1 71 HIS H 1 71 HIS HA 3.000 . 5.600 2.915 2.897 2.922 . 0 0 "[ . 1 . 2]" 1 605 1 71 HIS H 1 71 HIS HB3 3.000 . 5.600 2.998 2.452 3.639 . 0 0 "[ . 1 . 2]" 1 606 1 71 HIS H 1 71 HIS HB2 3.000 . 5.600 2.443 2.211 2.803 . 0 0 "[ . 1 . 2]" 1 607 1 71 HIS HA 1 72 LEU H 3.000 . 5.600 3.443 3.382 3.498 . 0 0 "[ . 1 . 2]" 1 608 1 71 HIS HB3 1 72 LEU H 3.000 . 5.600 3.348 2.946 4.017 . 0 0 "[ . 1 . 2]" 1 609 1 71 HIS HB2 1 72 LEU H 3.000 . 5.600 3.724 3.162 4.159 . 0 0 "[ . 1 . 2]" 1 610 1 71 HIS H 1 72 LEU QB 3.000 . 6.000 4.482 4.198 4.862 . 0 0 "[ . 1 . 2]" 1 611 1 71 HIS H 1 72 LEU HG 3.000 . 5.600 5.138 4.031 5.628 0.028 9 0 "[ . 1 . 2]" 1 612 1 71 HIS H 1 72 LEU H 3.000 . 4.600 2.241 2.172 2.346 . 0 0 "[ . 1 . 2]" 1 613 1 72 LEU H 1 72 LEU HA 3.000 . 5.600 2.892 2.868 2.909 . 0 0 "[ . 1 . 2]" 1 614 1 72 LEU H 1 72 LEU HB3 3.000 . 5.600 3.848 3.717 3.997 . 0 0 "[ . 1 . 2]" 1 615 1 72 LEU H 1 72 LEU HB2 3.000 . 5.600 2.880 2.769 3.150 . 0 0 "[ . 1 . 2]" 1 616 1 72 LEU H 1 72 LEU HG 3.000 . 5.600 3.696 2.864 4.055 . 0 0 "[ . 1 . 2]" 1 617 1 72 LEU H 1 72 LEU MD1 3.000 . 5.000 3.996 3.273 4.713 . 0 0 "[ . 1 . 2]" 1 618 1 72 LEU H 1 72 LEU MD2 3.000 . 5.000 4.454 3.945 4.806 . 0 0 "[ . 1 . 2]" 1 619 1 72 LEU HA 1 73 ILE H 3.000 . 4.600 2.278 2.226 2.343 . 0 0 "[ . 1 . 2]" 1 620 1 72 LEU HG 1 73 ILE H 3.000 . 5.600 4.554 4.027 5.035 . 0 0 "[ . 1 . 2]" 1 621 1 72 LEU QB 1 73 ILE H 3.000 . 6.000 2.828 2.651 2.987 . 0 0 "[ . 1 . 2]" 1 622 1 72 LEU H 1 73 ILE H 3.000 . 5.600 4.312 4.226 4.353 . 0 0 "[ . 1 . 2]" 1 623 1 73 ILE H 1 73 ILE MD 3.000 . 6.000 3.547 2.468 4.847 . 0 0 "[ . 1 . 2]" 1 624 1 73 ILE H 1 73 ILE QG 3.000 . 6.000 3.045 1.852 3.965 . 0 0 "[ . 1 . 2]" 1 625 1 73 ILE H 1 73 ILE MG 3.000 . 6.000 3.029 1.916 3.911 . 0 0 "[ . 1 . 2]" 1 626 1 73 ILE H 1 73 ILE HA 3.000 . 4.600 2.938 2.917 2.953 . 0 0 "[ . 1 . 2]" 1 627 1 73 ILE H 1 73 ILE HB 3.000 . 4.600 3.349 2.520 3.909 . 0 0 "[ . 1 . 2]" 1 628 1 73 ILE HA 1 74 CYS H 3.000 . 4.600 2.215 2.171 2.254 . 0 0 "[ . 1 . 2]" 1 629 1 73 ILE MG 1 74 CYS H 3.000 . 6.000 3.346 2.116 4.234 . 0 0 "[ . 1 . 2]" 1 630 1 73 ILE HB 1 74 CYS H 3.000 . 5.600 3.574 2.866 4.186 . 0 0 "[ . 1 . 2]" 1 631 1 73 ILE H 1 74 CYS H 3.000 . 5.600 4.399 4.352 4.463 . 0 0 "[ . 1 . 2]" 1 632 1 73 ILE QG 1 75 THR H 3.000 . 6.000 4.758 3.213 6.116 0.116 4 0 "[ . 1 . 2]" 1 633 1 73 ILE MG 1 75 THR H 3.000 . 6.000 4.807 3.142 5.953 . 0 0 "[ . 1 . 2]" 1 634 1 73 ILE MD 1 83 PHE QE 3.000 . 6.000 5.098 3.310 6.023 0.023 5 0 "[ . 1 . 2]" 1 635 1 73 ILE H 1 86 ILE MG 3.000 . 6.000 5.801 4.039 6.207 0.207 12 0 "[ . 1 . 2]" 1 636 1 73 ILE H 1 86 ILE MD 3.000 . 5.500 5.372 4.908 5.606 0.106 8 0 "[ . 1 . 2]" 1 637 1 73 ILE H 1 87 PRO HB3 3.000 . 5.600 5.435 5.248 5.622 0.022 2 0 "[ . 1 . 2]" 1 638 1 73 ILE H 1 87 PRO HB2 3.000 . 5.600 3.854 3.682 4.060 . 0 0 "[ . 1 . 2]" 1 639 1 73 ILE H 1 88 LEU HA 3.000 . 5.600 2.497 1.967 2.868 . 0 0 "[ . 1 . 2]" 1 640 1 73 ILE H 1 88 LEU H 3.000 . 5.600 4.629 4.152 4.944 . 0 0 "[ . 1 . 2]" 1 641 1 73 ILE HB 1 89 VAL H 3.000 . 5.600 4.671 3.364 5.689 0.089 13 0 "[ . 1 . 2]" 1 642 1 73 ILE MG 1 89 VAL H 3.000 . 6.000 4.277 3.349 5.487 . 0 0 "[ . 1 . 2]" 1 643 1 73 ILE H 1 89 VAL H 3.000 . 5.600 4.144 3.828 4.649 . 0 0 "[ . 1 . 2]" 1 644 1 74 CYS H 1 74 CYS HA 3.000 . 5.600 2.943 2.939 2.947 . 0 0 "[ . 1 . 2]" 1 645 1 74 CYS H 1 74 CYS HB3 3.000 . 5.600 3.445 2.720 3.827 . 0 0 "[ . 1 . 2]" 1 646 1 74 CYS H 1 74 CYS HB2 3.000 . 5.600 2.696 2.480 3.105 . 0 0 "[ . 1 . 2]" 1 647 1 74 CYS HA 1 75 THR H 3.000 . 4.600 2.169 2.142 2.184 . 0 0 "[ . 1 . 2]" 1 648 1 74 CYS HB2 1 75 THR H 3.000 . 5.600 4.507 4.306 4.640 . 0 0 "[ . 1 . 2]" 1 649 1 74 CYS HB3 1 75 THR H 3.000 . 5.600 3.928 3.626 4.400 . 0 0 "[ . 1 . 2]" 1 650 1 74 CYS H 1 75 THR HA 3.000 . 6.000 4.912 4.768 5.019 . 0 0 "[ . 1 . 2]" 1 651 1 74 CYS H 1 75 THR H 3.000 . 5.600 4.057 3.978 4.194 . 0 0 "[ . 1 . 2]" 1 652 1 74 CYS H 1 89 VAL H 3.000 . 6.000 4.502 4.356 4.719 . 0 0 "[ . 1 . 2]" 1 653 1 74 CYS QB 1 94 PHE QD 3.000 . 6.500 5.596 4.732 6.366 . 0 0 "[ . 1 . 2]" 1 654 1 75 THR H 1 75 THR HA 3.000 . 5.600 2.934 2.920 2.948 . 0 0 "[ . 1 . 2]" 1 655 1 75 THR H 1 75 THR HB 3.000 . 5.600 3.116 2.697 3.802 . 0 0 "[ . 1 . 2]" 1 656 1 75 THR H 1 75 THR MG 3.000 . 5.000 3.729 2.181 4.007 . 0 0 "[ . 1 . 2]" 1 657 1 75 THR HA 1 76 THR H 3.000 . 4.600 2.263 2.212 2.338 . 0 0 "[ . 1 . 2]" 1 658 1 75 THR H 1 76 THR H 3.000 . 5.600 4.406 4.356 4.459 . 0 0 "[ . 1 . 2]" 1 659 1 75 THR HB 1 76 THR H 3.000 . 5.600 3.524 2.834 3.995 . 0 0 "[ . 1 . 2]" 1 660 1 75 THR MG 1 76 THR H 3.000 . 6.000 2.570 1.920 3.856 . 0 0 "[ . 1 . 2]" 1 661 1 75 THR MG 1 77 ALA H 3.000 . 6.000 3.799 2.633 5.251 . 0 0 "[ . 1 . 2]" 1 662 1 75 THR HB 1 77 ALA H 3.000 . 5.600 3.717 2.960 5.471 . 0 0 "[ . 1 . 2]" 1 663 1 75 THR HA 1 77 ALA H 3.000 . 5.600 4.747 4.294 5.065 . 0 0 "[ . 1 . 2]" 1 664 1 75 THR MG 1 79 VAL H 3.000 . 6.500 4.943 3.406 6.362 . 0 0 "[ . 1 . 2]" 1 665 1 75 THR HB 1 79 VAL H 3.000 . 5.600 4.945 3.028 5.628 0.028 5 0 "[ . 1 . 2]" 1 666 1 75 THR H 1 89 VAL HA 3.000 . 6.000 4.869 4.497 5.139 . 0 0 "[ . 1 . 2]" 1 667 1 75 THR H 1 89 VAL QG 3.000 . 6.000 4.210 3.391 4.937 . 0 0 "[ . 1 . 2]" 1 668 1 75 THR H 1 89 VAL H 3.000 . 5.600 3.056 2.676 3.519 . 0 0 "[ . 1 . 2]" 1 669 1 75 THR MG 1 90 HIS HD2 3.000 . 6.000 5.247 2.983 5.996 . 0 0 "[ . 1 . 2]" 1 670 1 75 THR H 1 90 HIS HA 3.000 . 5.600 3.601 3.375 3.914 . 0 0 "[ . 1 . 2]" 1 671 1 75 THR H 1 90 HIS QB 3.000 . 6.000 5.502 4.929 5.826 . 0 0 "[ . 1 . 2]" 1 672 1 75 THR H 1 91 GLY H 3.000 . 5.600 4.787 4.256 5.064 . 0 0 "[ . 1 . 2]" 1 673 1 76 THR H 1 76 THR HA 3.000 . 5.600 2.913 2.844 2.944 . 0 0 "[ . 1 . 2]" 1 674 1 76 THR H 1 76 THR HB 3.000 . 5.600 3.248 2.633 3.693 . 0 0 "[ . 1 . 2]" 1 675 1 76 THR H 1 76 THR MG 3.000 . 6.000 3.178 1.870 3.936 . 0 0 "[ . 1 . 2]" 1 676 1 76 THR MG 1 77 ALA H 3.000 . 6.000 4.122 3.729 4.392 . 0 0 "[ . 1 . 2]" 1 677 1 76 THR HB 1 77 ALA H 3.000 . 5.600 4.322 4.184 4.651 . 0 0 "[ . 1 . 2]" 1 678 1 76 THR HA 1 77 ALA H 3.000 . 5.600 2.466 2.330 2.731 . 0 0 "[ . 1 . 2]" 1 679 1 76 THR H 1 77 ALA H 3.000 . 5.600 3.588 2.796 3.872 . 0 0 "[ . 1 . 2]" 1 680 1 76 THR H 1 77 ALA HA 3.000 . 5.600 5.338 4.537 5.637 0.037 19 0 "[ . 1 . 2]" 1 681 1 76 THR HA 1 90 HIS HD2 3.000 . 6.500 3.539 2.496 4.782 . 0 0 "[ . 1 . 2]" 1 682 1 76 THR HB 1 90 HIS HD2 3.000 . 6.500 5.895 4.590 6.502 0.002 11 0 "[ . 1 . 2]" 1 683 1 76 THR HA 1 91 GLY H 3.000 . 5.600 3.150 2.285 3.804 . 0 0 "[ . 1 . 2]" 1 684 1 76 THR MG 1 91 GLY H 3.000 . 6.000 2.964 1.986 4.759 . 0 0 "[ . 1 . 2]" 1 685 1 76 THR HA 1 92 MET H 3.000 . 5.600 4.735 4.210 5.322 . 0 0 "[ . 1 . 2]" 1 686 1 76 THR MG 1 92 MET H 3.000 . 6.000 3.815 2.598 5.799 . 0 0 "[ . 1 . 2]" 1 687 1 77 ALA H 1 77 ALA MB 3.000 . 5.000 2.747 2.336 2.947 . 0 0 "[ . 1 . 2]" 1 688 1 77 ALA H 1 77 ALA HA 3.000 . 4.600 2.743 2.275 2.947 . 0 0 "[ . 1 . 2]" 1 689 1 77 ALA HA 1 78 ARG H 3.000 . 4.600 2.790 2.185 3.572 . 0 0 "[ . 1 . 2]" 1 690 1 77 ALA MB 1 78 ARG H 3.000 . 6.000 2.680 1.810 3.634 . 0 0 "[ . 1 . 2]" 1 691 1 77 ALA H 1 78 ARG H 3.000 . 5.600 3.540 1.767 4.640 0.033 2 0 "[ . 1 . 2]" 1 692 1 77 ALA HA 1 79 VAL H 3.000 . 5.600 4.752 3.641 5.598 . 0 0 "[ . 1 . 2]" 1 693 1 77 ALA MB 1 79 VAL H 3.000 . 6.000 3.611 2.496 5.496 . 0 0 "[ . 1 . 2]" 1 694 1 77 ALA H 1 79 VAL H 3.000 . 5.600 4.592 3.846 5.532 . 0 0 "[ . 1 . 2]" 1 695 1 78 ARG H 1 78 ARG HB3 3.000 . 5.600 3.436 2.632 4.146 . 0 0 "[ . 1 . 2]" 1 696 1 78 ARG H 1 78 ARG HB2 3.000 . 5.600 2.925 2.090 3.929 . 0 0 "[ . 1 . 2]" 1 697 1 78 ARG H 1 78 ARG HG2 3.000 . 5.600 4.340 2.134 5.313 . 0 0 "[ . 1 . 2]" 1 698 1 78 ARG H 1 78 ARG HG3 3.000 . 5.600 4.104 2.641 4.789 . 0 0 "[ . 1 . 2]" 1 699 1 78 ARG HA 1 79 VAL H 3.000 . 4.600 2.754 2.308 3.567 . 0 0 "[ . 1 . 2]" 1 700 1 78 ARG HB2 1 79 VAL H 3.000 . 5.600 4.305 2.500 4.668 . 0 0 "[ . 1 . 2]" 1 701 1 78 ARG QG 1 79 VAL H 3.000 . 6.000 4.163 3.489 4.738 . 0 0 "[ . 1 . 2]" 1 702 1 78 ARG H 1 79 VAL H 3.000 . 5.600 3.116 2.042 4.022 . 0 0 "[ . 1 . 2]" 1 703 1 78 ARG HB3 1 79 VAL H 3.000 . 5.600 3.974 2.110 4.645 . 0 0 "[ . 1 . 2]" 1 704 1 78 ARG HA 1 90 HIS HD2 3.000 . 6.500 4.922 3.740 6.602 0.102 19 0 "[ . 1 . 2]" 1 705 1 79 VAL H 1 79 VAL HA 3.000 . 5.600 2.862 2.792 2.933 . 0 0 "[ . 1 . 2]" 1 706 1 79 VAL H 1 79 VAL HB 3.000 . 5.600 3.269 2.281 3.661 . 0 0 "[ . 1 . 2]" 1 707 1 79 VAL H 1 79 VAL MG1 3.000 . 5.000 2.686 1.947 3.854 . 0 0 "[ . 1 . 2]" 1 708 1 79 VAL H 1 79 VAL MG2 3.000 . 5.000 2.278 1.840 3.770 . 0 0 "[ . 1 . 2]" 1 709 1 79 VAL HA 1 80 ASP H 3.000 . 4.600 2.681 2.284 3.022 . 0 0 "[ . 1 . 2]" 1 710 1 79 VAL HB 1 80 ASP H 3.000 . 5.600 3.151 1.891 4.568 . 0 0 "[ . 1 . 2]" 1 711 1 79 VAL QG 1 80 ASP H 3.000 . 6.000 2.994 1.815 3.765 . 0 0 "[ . 1 . 2]" 1 712 1 79 VAL H 1 80 ASP H 3.000 . 5.600 4.039 2.698 4.629 . 0 0 "[ . 1 . 2]" 1 713 1 79 VAL H 1 80 ASP HA 3.000 . 5.600 5.301 4.678 5.583 . 0 0 "[ . 1 . 2]" 1 714 1 79 VAL HB 1 81 ARG H 3.000 . 5.600 3.782 2.405 5.621 0.021 2 0 "[ . 1 . 2]" 1 715 1 79 VAL H 1 81 ARG H 3.000 . 5.600 5.204 4.734 5.620 0.020 7 0 "[ . 1 . 2]" 1 716 1 79 VAL HB 1 83 PHE QD 3.000 . 7.000 4.376 2.506 6.402 . 0 0 "[ . 1 . 2]" 1 717 1 79 VAL MG1 1 83 PHE QE 3.000 . 6.000 3.440 1.921 4.797 . 0 0 "[ . 1 . 2]" 1 718 1 79 VAL MG2 1 83 PHE QE 3.000 . 6.000 3.335 2.022 4.301 . 0 0 "[ . 1 . 2]" 1 719 1 79 VAL H 1 90 HIS HD2 3.000 . 5.600 5.129 3.820 5.640 0.040 14 0 "[ . 1 . 2]" 1 720 1 80 ASP H 1 80 ASP HA 3.000 . 5.600 2.923 2.869 2.946 . 0 0 "[ . 1 . 2]" 1 721 1 80 ASP H 1 80 ASP HB3 3.000 . 5.600 3.055 2.428 3.664 . 0 0 "[ . 1 . 2]" 1 722 1 80 ASP H 1 80 ASP HB2 3.000 . 5.600 2.901 2.311 3.687 . 0 0 "[ . 1 . 2]" 1 723 1 80 ASP HB3 1 81 ARG H 3.000 . 5.600 3.796 3.060 4.514 . 0 0 "[ . 1 . 2]" 1 724 1 80 ASP HB2 1 81 ARG H 3.000 . 5.600 3.819 3.070 4.276 . 0 0 "[ . 1 . 2]" 1 725 1 80 ASP H 1 81 ARG H 3.000 . 5.600 2.211 2.025 2.602 . 0 0 "[ . 1 . 2]" 1 726 1 80 ASP H 1 83 PHE H 3.000 . 5.600 5.404 4.623 5.632 0.032 15 0 "[ . 1 . 2]" 1 727 1 81 ARG H 1 81 ARG QD 3.000 . 6.000 4.307 2.642 5.186 . 0 0 "[ . 1 . 2]" 1 728 1 81 ARG H 1 81 ARG HB3 3.000 . 4.600 3.307 2.680 3.909 . 0 0 "[ . 1 . 2]" 1 729 1 81 ARG H 1 81 ARG HB2 3.000 . 4.600 3.032 2.066 3.970 . 0 0 "[ . 1 . 2]" 1 730 1 81 ARG H 1 81 ARG QG 3.000 . 5.000 3.476 1.915 4.158 . 0 0 "[ . 1 . 2]" 1 731 1 81 ARG QB 1 82 SER H 3.000 . 5.000 3.528 1.997 4.057 . 0 0 "[ . 1 . 2]" 1 732 1 81 ARG H 1 82 SER H 3.000 . 5.600 2.822 2.324 3.151 . 0 0 "[ . 1 . 2]" 1 733 1 81 ARG QD 1 82 SER H 3.000 . 6.000 5.023 2.320 6.017 0.017 5 0 "[ . 1 . 2]" 1 734 1 81 ARG QG 1 82 SER H 3.000 . 6.000 4.108 2.378 4.802 . 0 0 "[ . 1 . 2]" 1 735 1 81 ARG H 1 83 PHE H 3.000 . 5.600 4.237 3.742 4.861 . 0 0 "[ . 1 . 2]" 1 736 1 81 ARG QB 1 83 PHE QD 3.000 . 7.000 5.627 4.696 6.512 . 0 0 "[ . 1 . 2]" 1 737 1 82 SER H 1 82 SER HB3 3.000 . 5.600 3.425 2.699 3.991 . 0 0 "[ . 1 . 2]" 1 738 1 82 SER H 1 82 SER HB2 3.000 . 5.600 2.963 2.427 3.866 . 0 0 "[ . 1 . 2]" 1 739 1 82 SER H 1 82 SER HA 3.000 . 4.600 2.927 2.859 2.948 . 0 0 "[ . 1 . 2]" 1 740 1 82 SER HA 1 83 PHE H 3.000 . 4.600 3.108 2.153 3.545 . 0 0 "[ . 1 . 2]" 1 741 1 82 SER HB3 1 83 PHE H 3.000 . 5.600 4.051 2.766 4.655 . 0 0 "[ . 1 . 2]" 1 742 1 82 SER HB2 1 83 PHE H 3.000 . 5.600 4.093 3.032 4.481 . 0 0 "[ . 1 . 2]" 1 743 1 82 SER H 1 83 PHE H 3.000 . 5.600 2.146 1.841 3.705 . 0 0 "[ . 1 . 2]" 1 744 1 82 SER H 1 83 PHE HA 3.000 . 5.600 4.471 4.280 4.636 . 0 0 "[ . 1 . 2]" 1 745 1 82 SER H 1 83 PHE QD 3.000 . 6.000 3.184 2.306 5.088 . 0 0 "[ . 1 . 2]" 1 746 1 82 SER HA 1 84 GLY H 3.000 . 5.600 4.622 3.154 5.437 . 0 0 "[ . 1 . 2]" 1 747 1 83 PHE H 1 83 PHE HA 3.000 . 5.600 2.917 2.855 2.951 . 0 0 "[ . 1 . 2]" 1 748 1 83 PHE H 1 83 PHE HB3 3.000 . 5.600 3.058 2.691 3.625 . 0 0 "[ . 1 . 2]" 1 749 1 83 PHE H 1 83 PHE HB2 3.000 . 5.600 3.150 2.187 3.750 . 0 0 "[ . 1 . 2]" 1 750 1 83 PHE H 1 83 PHE QD 3.000 . 5.600 2.585 1.832 4.318 . 0 0 "[ . 1 . 2]" 1 751 1 83 PHE HA 1 84 GLY H 3.000 . 4.600 2.669 2.133 3.562 . 0 0 "[ . 1 . 2]" 1 752 1 83 PHE HB3 1 84 GLY H 3.000 . 5.600 4.123 2.605 4.690 . 0 0 "[ . 1 . 2]" 1 753 1 83 PHE HB2 1 84 GLY H 3.000 . 5.600 3.686 2.696 4.599 . 0 0 "[ . 1 . 2]" 1 754 1 83 PHE QD 1 84 GLY H 3.000 . 6.000 4.545 3.618 4.968 . 0 0 "[ . 1 . 2]" 1 755 1 83 PHE H 1 84 GLY H 3.000 . 5.600 3.471 2.150 4.345 . 0 0 "[ . 1 . 2]" 1 756 1 83 PHE QE 1 86 ILE HB 3.000 . 6.000 3.418 2.314 4.650 . 0 0 "[ . 1 . 2]" 1 757 1 83 PHE QE 1 86 ILE QG 3.000 . 7.000 3.825 1.858 4.611 . 0 0 "[ . 1 . 2]" 1 758 1 83 PHE QE 1 86 ILE MG 3.000 . 7.000 2.920 2.243 4.093 . 0 0 "[ . 1 . 2]" 1 759 1 83 PHE QD 1 86 ILE H 3.000 . 6.000 4.269 3.069 4.996 . 0 0 "[ . 1 . 2]" 1 760 1 83 PHE H 1 86 ILE H 3.000 . 5.600 5.044 4.366 5.477 . 0 0 "[ . 1 . 2]" 1 761 1 83 PHE QE 1 88 LEU MD1 3.000 . 7.000 4.804 3.965 5.745 . 0 0 "[ . 1 . 2]" 1 762 1 83 PHE HZ 1 88 LEU MD1 3.000 . 6.500 5.472 3.468 6.574 0.074 20 0 "[ . 1 . 2]" 1 763 1 83 PHE HZ 1 88 LEU MD2 3.000 . 6.500 4.285 2.091 6.530 0.030 11 0 "[ . 1 . 2]" 1 764 1 83 PHE QE 1 88 LEU MD2 3.000 . 6.000 3.795 2.209 5.488 . 0 0 "[ . 1 . 2]" 1 765 1 84 GLY H 1 84 GLY HA3 3.000 . 4.600 2.885 2.797 2.956 . 0 0 "[ . 1 . 2]" 1 766 1 84 GLY H 1 84 GLY HA2 3.000 . 4.600 2.396 2.294 2.601 . 0 0 "[ . 1 . 2]" 1 767 1 84 GLY QA 1 85 ASP H 3.000 . 5.000 2.232 2.102 2.731 . 0 0 "[ . 1 . 2]" 1 768 1 84 GLY H 1 85 ASP H 3.000 . 5.600 4.058 2.890 4.540 . 0 0 "[ . 1 . 2]" 1 769 1 84 GLY H 1 86 ILE H 3.000 . 5.600 4.725 3.344 5.433 . 0 0 "[ . 1 . 2]" 1 770 1 84 GLY HA3 1 86 ILE H 3.000 . 5.600 3.788 3.399 4.578 . 0 0 "[ . 1 . 2]" 1 771 1 84 GLY HA2 1 86 ILE H 3.000 . 5.600 4.910 4.715 5.059 . 0 0 "[ . 1 . 2]" 1 772 1 85 ASP H 1 85 ASP HA 3.000 . 5.600 2.892 2.853 2.928 . 0 0 "[ . 1 . 2]" 1 773 1 85 ASP H 1 85 ASP HB3 3.000 . 5.600 3.428 3.051 3.771 . 0 0 "[ . 1 . 2]" 1 774 1 85 ASP H 1 85 ASP HB2 3.000 . 5.600 3.234 2.647 3.950 . 0 0 "[ . 1 . 2]" 1 775 1 85 ASP HA 1 86 ILE H 3.000 . 5.600 2.996 2.922 3.072 . 0 0 "[ . 1 . 2]" 1 776 1 85 ASP HB3 1 86 ILE H 3.000 . 5.600 4.245 3.907 4.645 . 0 0 "[ . 1 . 2]" 1 777 1 85 ASP HB2 1 86 ILE H 3.000 . 5.600 4.319 4.004 4.481 . 0 0 "[ . 1 . 2]" 1 778 1 85 ASP H 1 86 ILE H 3.000 . 5.600 1.955 1.847 2.089 . 0 0 "[ . 1 . 2]" 1 779 1 85 ASP H 1 86 ILE HB 3.000 . 5.600 3.887 3.718 4.156 . 0 0 "[ . 1 . 2]" 1 780 1 85 ASP H 1 86 ILE QG 3.000 . 6.000 5.076 2.877 5.605 . 0 0 "[ . 1 . 2]" 1 781 1 85 ASP H 1 87 PRO HD3 3.000 . 5.600 5.225 5.089 5.325 . 0 0 "[ . 1 . 2]" 1 782 1 85 ASP H 1 87 PRO HD2 3.000 . 5.600 5.648 5.598 5.705 0.105 15 0 "[ . 1 . 2]" 1 783 1 86 ILE H 1 86 ILE HG13 3.000 . 4.600 4.260 3.483 4.463 . 0 0 "[ . 1 . 2]" 1 784 1 86 ILE H 1 86 ILE HG12 3.000 . 4.600 4.240 2.312 4.637 0.037 20 0 "[ . 1 . 2]" 1 785 1 86 ILE H 1 86 ILE HB 3.000 . 4.600 2.449 2.212 2.610 . 0 0 "[ . 1 . 2]" 1 786 1 86 ILE H 1 86 ILE HA 3.000 . 5.600 2.765 2.731 2.817 . 0 0 "[ . 1 . 2]" 1 787 1 86 ILE H 1 86 ILE MD 3.000 . 6.000 4.201 3.594 4.402 . 0 0 "[ . 1 . 2]" 1 788 1 86 ILE H 1 86 ILE MG 3.000 . 6.000 2.429 2.042 3.730 . 0 0 "[ . 1 . 2]" 1 789 1 86 ILE H 1 87 PRO HD3 3.000 . 5.600 4.448 4.352 4.510 . 0 0 "[ . 1 . 2]" 1 790 1 86 ILE H 1 87 PRO HD2 3.000 . 5.600 4.585 4.543 4.623 . 0 0 "[ . 1 . 2]" 1 791 1 86 ILE MG 1 88 LEU H 3.000 . 6.000 3.206 2.711 3.494 . 0 0 "[ . 1 . 2]" 1 792 1 87 PRO HB3 1 88 LEU H 3.000 . 5.600 4.601 4.538 4.655 . 0 0 "[ . 1 . 2]" 1 793 1 87 PRO HB2 1 88 LEU H 3.000 . 5.600 4.296 4.218 4.349 . 0 0 "[ . 1 . 2]" 1 794 1 87 PRO HA 1 88 LEU H 3.000 . 4.600 2.493 2.382 2.616 . 0 0 "[ . 1 . 2]" 1 795 1 88 LEU H 1 88 LEU HA 3.000 . 5.600 2.926 2.919 2.936 . 0 0 "[ . 1 . 2]" 1 796 1 88 LEU H 1 88 LEU MD1 3.000 . 6.000 3.517 1.957 4.430 . 0 0 "[ . 1 . 2]" 1 797 1 88 LEU H 1 88 LEU MD2 3.000 . 6.000 3.034 1.927 4.256 . 0 0 "[ . 1 . 2]" 1 798 1 88 LEU H 1 88 LEU HG 3.000 . 5.600 2.622 1.839 4.513 . 0 0 "[ . 1 . 2]" 1 799 1 88 LEU H 1 88 LEU HB3 3.000 . 4.600 2.894 2.397 3.653 . 0 0 "[ . 1 . 2]" 1 800 1 88 LEU H 1 88 LEU HB2 3.000 . 4.600 3.566 2.671 3.734 . 0 0 "[ . 1 . 2]" 1 801 1 88 LEU HA 1 89 VAL H 3.000 . 4.600 2.335 2.178 2.381 . 0 0 "[ . 1 . 2]" 1 802 1 88 LEU QB 1 89 VAL H 3.000 . 6.000 2.582 2.392 3.470 . 0 0 "[ . 1 . 2]" 1 803 1 88 LEU QD 1 89 VAL H 3.000 . 6.000 3.227 2.367 4.130 . 0 0 "[ . 1 . 2]" 1 804 1 88 LEU H 1 89 VAL H 3.000 . 5.600 4.555 4.527 4.575 . 0 0 "[ . 1 . 2]" 1 805 1 88 LEU H 1 89 VAL HA 3.000 . 5.600 5.203 5.055 5.259 . 0 0 "[ . 1 . 2]" 1 806 1 88 LEU MD1 1 90 HIS HD2 3.000 . 6.500 4.031 3.009 5.525 . 0 0 "[ . 1 . 2]" 1 807 1 88 LEU MD2 1 90 HIS HD2 3.000 . 6.500 5.396 2.422 6.461 . 0 0 "[ . 1 . 2]" 1 808 1 89 VAL H 1 89 VAL HA 3.000 . 5.600 2.925 2.903 2.942 . 0 0 "[ . 1 . 2]" 1 809 1 89 VAL H 1 89 VAL HB 3.000 . 5.600 3.298 2.836 3.941 . 0 0 "[ . 1 . 2]" 1 810 1 89 VAL H 1 89 VAL MG1 3.000 . 5.000 3.406 2.044 4.020 . 0 0 "[ . 1 . 2]" 1 811 1 89 VAL H 1 89 VAL MG2 3.000 . 5.000 2.797 1.977 3.976 . 0 0 "[ . 1 . 2]" 1 812 1 89 VAL HA 1 90 HIS H 3.000 . 4.600 2.308 2.242 2.430 . 0 0 "[ . 1 . 2]" 1 813 1 89 VAL HB 1 90 HIS H 3.000 . 4.600 3.351 2.510 3.915 . 0 0 "[ . 1 . 2]" 1 814 1 89 VAL QG 1 90 HIS H 3.000 . 6.000 2.349 1.815 3.333 . 0 0 "[ . 1 . 2]" 1 815 1 89 VAL H 1 90 HIS H 3.000 . 5.600 4.400 4.377 4.418 . 0 0 "[ . 1 . 2]" 1 816 1 90 HIS H 1 90 HIS HA 3.000 . 5.600 2.898 2.882 2.945 . 0 0 "[ . 1 . 2]" 1 817 1 90 HIS H 1 90 HIS HD2 3.000 . 5.600 3.935 3.075 4.948 . 0 0 "[ . 1 . 2]" 1 818 1 90 HIS H 1 90 HIS HB3 3.000 . 4.600 3.524 2.975 3.753 . 0 0 "[ . 1 . 2]" 1 819 1 90 HIS H 1 90 HIS HB2 3.000 . 4.600 2.433 2.123 2.866 . 0 0 "[ . 1 . 2]" 1 820 1 90 HIS HA 1 91 GLY H 3.000 . 4.600 2.251 2.142 2.296 . 0 0 "[ . 1 . 2]" 1 821 1 90 HIS HD2 1 91 GLY H 3.000 . 5.600 4.554 3.562 5.401 . 0 0 "[ . 1 . 2]" 1 822 1 90 HIS QB 1 91 GLY H 3.000 . 6.000 2.900 2.702 3.349 . 0 0 "[ . 1 . 2]" 1 823 1 90 HIS H 1 91 GLY H 3.000 . 5.600 4.581 4.354 4.608 . 0 0 "[ . 1 . 2]" 1 824 1 90 HIS HA 1 92 MET H 3.000 . 5.600 4.009 3.762 4.231 . 0 0 "[ . 1 . 2]" 1 825 1 91 GLY QA 1 92 MET H 3.000 . 6.000 2.822 2.715 2.909 . 0 0 "[ . 1 . 2]" 1 826 1 91 GLY H 1 92 MET H 3.000 . 5.600 2.589 2.241 3.183 . 0 0 "[ . 1 . 2]" 1 827 1 91 GLY H 1 92 MET HB3 3.000 . 5.600 5.362 4.905 5.633 0.033 18 0 "[ . 1 . 2]" 1 828 1 91 GLY H 1 92 MET HB2 3.000 . 5.600 4.397 3.975 5.282 . 0 0 "[ . 1 . 2]" 1 829 1 91 GLY HA2 1 94 PHE H 3.000 . 5.600 3.152 3.040 3.250 . 0 0 "[ . 1 . 2]" 1 830 1 91 GLY HA3 1 94 PHE QD 3.000 . 7.000 4.486 3.865 5.047 . 0 0 "[ . 1 . 2]" 1 831 1 91 GLY HA3 1 94 PHE QE 3.000 . 7.000 6.516 5.721 7.012 0.012 5 0 "[ . 1 . 2]" 1 832 1 91 GLY HA2 1 94 PHE QD 3.000 . 7.000 4.200 3.173 4.822 . 0 0 "[ . 1 . 2]" 1 833 1 91 GLY HA2 1 94 PHE QE 3.000 . 7.000 6.130 5.393 6.677 . 0 0 "[ . 1 . 2]" 1 834 1 91 GLY HA3 1 94 PHE H 3.000 . 5.600 4.043 3.638 4.296 . 0 0 "[ . 1 . 2]" 1 835 1 91 GLY H 1 103 LEU QD 3.000 . 6.000 5.718 5.216 6.065 0.065 4 0 "[ . 1 . 2]" 1 836 1 92 MET H 1 92 MET QG 3.000 . 6.000 3.821 2.070 4.062 . 0 0 "[ . 1 . 2]" 1 837 1 92 MET H 1 92 MET HA 3.000 . 4.600 2.774 2.726 2.823 . 0 0 "[ . 1 . 2]" 1 838 1 92 MET H 1 92 MET HB3 3.000 . 4.600 2.848 2.451 3.571 . 0 0 "[ . 1 . 2]" 1 839 1 92 MET H 1 92 MET HB2 3.000 . 4.600 2.317 2.094 2.743 . 0 0 "[ . 1 . 2]" 1 840 1 92 MET H 1 93 PRO QD 3.000 . 6.000 2.164 2.051 2.289 . 0 0 "[ . 1 . 2]" 1 841 1 92 MET QB 1 94 PHE H 3.000 . 6.000 4.558 4.411 4.712 . 0 0 "[ . 1 . 2]" 1 842 1 92 MET H 1 103 LEU QD 3.000 . 6.000 4.944 4.621 5.381 . 0 0 "[ . 1 . 2]" 1 843 1 93 PRO HA 1 94 PHE H 3.000 . 4.600 3.517 3.445 3.563 . 0 0 "[ . 1 . 2]" 1 844 1 93 PRO QB 1 94 PHE H 3.000 . 6.000 3.285 3.123 3.519 . 0 0 "[ . 1 . 2]" 1 845 1 93 PRO QD 1 94 PHE H 3.000 . 6.000 2.529 2.371 2.681 . 0 0 "[ . 1 . 2]" 1 846 1 93 PRO QG 1 94 PHE H 3.000 . 6.000 2.424 2.208 2.803 . 0 0 "[ . 1 . 2]" 1 847 1 93 PRO HA 1 97 GLY H 3.000 . 5.600 5.216 4.747 5.589 . 0 0 "[ . 1 . 2]" 1 848 1 94 PHE H 1 94 PHE QD 3.000 . 6.600 3.766 3.284 4.097 . 0 0 "[ . 1 . 2]" 1 849 1 94 PHE H 1 94 PHE QE 3.000 . 6.600 5.814 5.446 6.092 . 0 0 "[ . 1 . 2]" 1 850 1 94 PHE H 1 94 PHE HA 3.000 . 4.600 2.839 2.805 2.904 . 0 0 "[ . 1 . 2]" 1 851 1 94 PHE H 1 94 PHE QB 3.000 . 5.000 2.097 2.048 2.186 . 0 0 "[ . 1 . 2]" 1 852 1 94 PHE H 1 95 VAL H 3.000 . 4.600 2.566 2.345 2.653 . 0 0 "[ . 1 . 2]" 1 853 1 94 PHE HA 1 95 VAL H 3.000 . 5.600 3.515 3.498 3.526 . 0 0 "[ . 1 . 2]" 1 854 1 94 PHE HB3 1 95 VAL H 3.000 . 5.600 2.939 2.746 3.155 . 0 0 "[ . 1 . 2]" 1 855 1 94 PHE QD 1 95 VAL H 3.000 . 6.600 4.543 4.204 4.686 . 0 0 "[ . 1 . 2]" 1 856 1 94 PHE HB2 1 95 VAL H 3.000 . 5.600 3.385 3.180 3.687 . 0 0 "[ . 1 . 2]" 1 857 1 94 PHE H 1 95 VAL HB 3.000 . 5.600 4.926 4.636 5.064 . 0 0 "[ . 1 . 2]" 1 858 1 94 PHE H 1 95 VAL QG 3.000 . 6.000 3.872 3.495 4.082 . 0 0 "[ . 1 . 2]" 1 859 1 94 PHE HA 1 96 SER H 3.000 . 5.600 4.015 3.848 4.133 . 0 0 "[ . 1 . 2]" 1 860 1 94 PHE H 1 96 SER H 3.000 . 5.600 3.884 3.650 3.999 . 0 0 "[ . 1 . 2]" 1 861 1 94 PHE H 1 97 GLY H 3.000 . 5.600 5.520 5.278 5.663 0.063 18 0 "[ . 1 . 2]" 1 862 1 94 PHE QD 1 103 LEU MD1 3.000 . 7.000 3.954 2.318 4.709 . 0 0 "[ . 1 . 2]" 1 863 1 94 PHE HZ 1 103 LEU MD1 3.000 . 6.500 6.118 5.102 6.544 0.044 4 0 "[ . 1 . 2]" 1 864 1 94 PHE QD 1 103 LEU MD2 3.000 . 7.000 2.273 1.918 3.009 . 0 0 "[ . 1 . 2]" 1 865 1 94 PHE HZ 1 103 LEU MD2 3.000 . 6.500 4.186 2.920 5.104 . 0 0 "[ . 1 . 2]" 1 866 1 94 PHE QE 1 103 LEU QD 3.000 . 6.500 3.037 2.266 3.765 . 0 0 "[ . 1 . 2]" 1 867 1 94 PHE HZ 1 103 LEU HG 3.000 . 6.500 5.506 3.910 6.561 0.061 5 0 "[ . 1 . 2]" 1 868 1 94 PHE H 1 103 LEU QD 3.000 . 6.000 2.908 2.333 3.484 . 0 0 "[ . 1 . 2]" 1 869 1 94 PHE QE 1 104 GLN HA 3.000 . 7.000 3.704 2.618 5.148 . 0 0 "[ . 1 . 2]" 1 870 1 94 PHE HZ 1 104 GLN HA 3.000 . 6.000 3.719 2.482 5.022 . 0 0 "[ . 1 . 2]" 1 871 1 94 PHE QE 1 104 GLN HG3 3.000 . 7.000 4.422 2.411 5.268 . 0 0 "[ . 1 . 2]" 1 872 1 94 PHE HZ 1 104 GLN HG3 3.000 . 6.000 3.854 2.423 4.888 . 0 0 "[ . 1 . 2]" 1 873 1 94 PHE QE 1 104 GLN HG2 3.000 . 7.000 5.289 3.889 6.389 . 0 0 "[ . 1 . 2]" 1 874 1 94 PHE HZ 1 104 GLN HG2 3.000 . 6.000 4.853 3.622 5.996 . 0 0 "[ . 1 . 2]" 1 875 1 95 VAL H 1 95 VAL HA 3.000 . 5.600 2.861 2.847 2.872 . 0 0 "[ . 1 . 2]" 1 876 1 95 VAL H 1 95 VAL HB 3.000 . 4.600 2.591 2.482 2.722 . 0 0 "[ . 1 . 2]" 1 877 1 95 VAL H 1 95 VAL QG 3.000 . 5.000 2.150 1.915 2.329 . 0 0 "[ . 1 . 2]" 1 878 1 95 VAL HB 1 96 SER H 3.000 . 4.600 3.298 2.997 4.155 . 0 0 "[ . 1 . 2]" 1 879 1 95 VAL H 1 96 SER H 3.000 . 4.600 2.492 2.449 2.529 . 0 0 "[ . 1 . 2]" 1 880 1 95 VAL QG 1 96 SER H 3.000 . 6.000 3.248 2.132 3.559 . 0 0 "[ . 1 . 2]" 1 881 1 95 VAL HB 1 97 GLY H 3.000 . 5.600 5.352 5.112 5.651 0.051 8 0 "[ . 1 . 2]" 1 882 1 95 VAL QG 1 97 GLY H 3.000 . 6.000 4.416 3.966 4.647 . 0 0 "[ . 1 . 2]" 1 883 1 95 VAL H 1 97 GLY H 3.000 . 5.600 4.414 4.307 4.584 . 0 0 "[ . 1 . 2]" 1 884 1 96 SER H 1 96 SER HA 3.000 . 5.600 2.783 2.749 2.821 . 0 0 "[ . 1 . 2]" 1 885 1 96 SER H 1 96 SER HB3 3.000 . 5.600 3.046 2.185 3.584 . 0 0 "[ . 1 . 2]" 1 886 1 96 SER H 1 96 SER HB2 3.000 . 5.600 2.645 2.057 3.563 . 0 0 "[ . 1 . 2]" 1 887 1 96 SER H 1 97 GLY H 3.000 . 4.600 2.734 2.629 2.826 . 0 0 "[ . 1 . 2]" 1 888 1 96 SER HA 1 97 GLY H 3.000 . 5.600 3.514 3.471 3.545 . 0 0 "[ . 1 . 2]" 1 889 1 96 SER HB3 1 97 GLY H 3.000 . 5.600 3.435 2.755 4.187 . 0 0 "[ . 1 . 2]" 1 890 1 96 SER HB2 1 97 GLY H 3.000 . 5.600 3.401 2.643 4.232 . 0 0 "[ . 1 . 2]" 1 891 1 96 SER H 1 98 VAL H 3.000 . 5.600 4.440 4.275 4.552 . 0 0 "[ . 1 . 2]" 1 892 1 97 GLY H 1 97 GLY HA3 3.000 . 4.600 2.891 2.858 2.937 . 0 0 "[ . 1 . 2]" 1 893 1 97 GLY H 1 97 GLY HA2 3.000 . 4.600 2.330 2.308 2.392 . 0 0 "[ . 1 . 2]" 1 894 1 97 GLY H 1 98 VAL H 3.000 . 4.600 2.640 2.464 2.752 . 0 0 "[ . 1 . 2]" 1 895 1 97 GLY HA3 1 98 VAL H 3.000 . 5.600 3.247 3.150 3.355 . 0 0 "[ . 1 . 2]" 1 896 1 97 GLY HA2 1 98 VAL H 3.000 . 5.600 3.327 3.224 3.391 . 0 0 "[ . 1 . 2]" 1 897 1 97 GLY H 1 98 VAL HB 3.000 . 5.600 5.363 5.056 5.586 . 0 0 "[ . 1 . 2]" 1 898 1 97 GLY H 1 98 VAL HA 3.000 . 5.600 5.138 4.961 5.255 . 0 0 "[ . 1 . 2]" 1 899 1 97 GLY H 1 98 VAL QG 3.000 . 5.600 4.229 3.911 4.587 . 0 0 "[ . 1 . 2]" 1 900 1 98 VAL H 1 98 VAL HB 3.000 . 4.600 2.860 2.581 3.197 . 0 0 "[ . 1 . 2]" 1 901 1 98 VAL H 1 98 VAL MG1 3.000 . 5.000 3.020 1.941 3.891 . 0 0 "[ . 1 . 2]" 1 902 1 98 VAL H 1 98 VAL MG2 3.000 . 5.000 3.216 2.285 3.951 . 0 0 "[ . 1 . 2]" 1 903 1 98 VAL H 1 98 VAL HA 3.000 . 5.600 2.942 2.920 2.948 . 0 0 "[ . 1 . 2]" 1 904 1 98 VAL HA 1 99 GLY H 3.000 . 5.600 3.453 3.311 3.547 . 0 0 "[ . 1 . 2]" 1 905 1 98 VAL HB 1 99 GLY H 3.000 . 5.600 3.544 2.573 4.369 . 0 0 "[ . 1 . 2]" 1 906 1 98 VAL QG 1 99 GLY H 3.000 . 5.600 2.879 1.933 3.647 . 0 0 "[ . 1 . 2]" 1 907 1 98 VAL H 1 99 GLY H 3.000 . 5.600 1.973 1.791 2.279 0.009 12 0 "[ . 1 . 2]" 1 908 1 99 GLY QA 1 101 GLU H 3.000 . 6.000 3.831 3.601 4.115 . 0 0 "[ . 1 . 2]" 1 909 1 99 GLY QA 1 102 ALA H 3.000 . 6.000 3.419 3.170 3.633 . 0 0 "[ . 1 . 2]" 1 910 1 101 GLU H 1 101 GLU HA 3.000 . 4.600 2.758 2.727 2.789 . 0 0 "[ . 1 . 2]" 1 911 1 101 GLU H 1 101 GLU HB3 3.000 . 4.600 3.268 2.597 3.589 . 0 0 "[ . 1 . 2]" 1 912 1 101 GLU H 1 101 GLU HB2 3.000 . 4.600 2.412 2.052 3.600 . 0 0 "[ . 1 . 2]" 1 913 1 101 GLU H 1 101 GLU QG 3.000 . 5.000 2.927 1.884 3.646 . 0 0 "[ . 1 . 2]" 1 914 1 101 GLU H 1 102 ALA H 3.000 . 4.600 2.913 2.743 3.027 . 0 0 "[ . 1 . 2]" 1 915 1 101 GLU HB3 1 102 ALA H 3.000 . 4.600 3.054 2.512 3.904 . 0 0 "[ . 1 . 2]" 1 916 1 101 GLU HB2 1 102 ALA H 3.000 . 4.600 2.944 2.215 3.393 . 0 0 "[ . 1 . 2]" 1 917 1 101 GLU QG 1 102 ALA H 3.000 . 6.000 3.905 1.876 4.493 . 0 0 "[ . 1 . 2]" 1 918 1 101 GLU H 1 102 ALA MB 3.000 . 6.000 4.531 4.333 4.715 . 0 0 "[ . 1 . 2]" 1 919 1 101 GLU H 1 103 LEU H 3.000 . 5.600 4.243 4.113 4.352 . 0 0 "[ . 1 . 2]" 1 920 1 101 GLU HA 1 104 GLN H 3.700 . 5.000 3.884 3.517 4.273 . 0 0 "[ . 1 . 2]" 1 921 1 101 GLU QB 1 104 GLN H 3.000 . 6.500 5.108 4.779 5.372 . 0 0 "[ . 1 . 2]" 1 922 1 101 GLU QB 1 105 ASN H 3.000 . 6.000 5.216 4.571 5.877 . 0 0 "[ . 1 . 2]" 1 923 1 102 ALA H 1 102 ALA HA 3.000 . 4.600 2.836 2.787 2.882 . 0 0 "[ . 1 . 2]" 1 924 1 102 ALA H 1 102 ALA MB 3.000 . 5.000 2.137 2.032 2.267 . 0 0 "[ . 1 . 2]" 1 925 1 102 ALA H 1 103 LEU H 3.000 . 4.600 2.631 2.428 2.757 . 0 0 "[ . 1 . 2]" 1 926 1 102 ALA HA 1 103 LEU H 3.000 . 5.600 3.551 3.533 3.569 . 0 0 "[ . 1 . 2]" 1 927 1 102 ALA HA 1 104 GLN H 3.000 . 5.600 4.605 4.294 4.918 . 0 0 "[ . 1 . 2]" 1 928 1 102 ALA HA 1 105 ASN H 3.000 . 5.600 3.821 3.629 4.111 . 0 0 "[ . 1 . 2]" 1 929 1 102 ALA MB 1 105 ASN H 3.000 . 6.000 4.880 4.753 5.078 . 0 0 "[ . 1 . 2]" 1 930 1 103 LEU H 1 103 LEU MD1 3.000 . 6.000 3.867 3.013 4.253 . 0 0 "[ . 1 . 2]" 1 931 1 103 LEU H 1 103 LEU MD2 3.000 . 6.000 4.241 3.897 4.462 . 0 0 "[ . 1 . 2]" 1 932 1 103 LEU H 1 103 LEU HG 3.000 . 5.600 4.425 4.093 4.545 . 0 0 "[ . 1 . 2]" 1 933 1 103 LEU H 1 103 LEU HA 3.000 . 4.600 2.816 2.785 2.857 . 0 0 "[ . 1 . 2]" 1 934 1 103 LEU H 1 103 LEU HB3 3.000 . 4.600 2.692 2.368 3.286 . 0 0 "[ . 1 . 2]" 1 935 1 103 LEU H 1 103 LEU HB2 3.000 . 4.600 2.400 2.077 2.695 . 0 0 "[ . 1 . 2]" 1 936 1 103 LEU H 1 104 GLN H 3.000 . 4.600 2.706 2.480 2.873 . 0 0 "[ . 1 . 2]" 1 937 1 103 LEU MD1 1 104 GLN H 3.000 . 6.000 4.564 3.867 4.976 . 0 0 "[ . 1 . 2]" 1 938 1 103 LEU MD2 1 104 GLN H 3.000 . 6.000 4.086 2.940 4.699 . 0 0 "[ . 1 . 2]" 1 939 1 103 LEU HG 1 104 GLN H 3.000 . 5.600 4.059 3.067 4.952 . 0 0 "[ . 1 . 2]" 1 940 1 103 LEU HA 1 104 GLN H 3.000 . 5.600 3.544 3.490 3.577 . 0 0 "[ . 1 . 2]" 1 941 1 103 LEU HB3 1 104 GLN H 3.000 . 5.600 2.558 2.236 3.060 . 0 0 "[ . 1 . 2]" 1 942 1 103 LEU HB2 1 104 GLN H 3.000 . 5.600 3.662 3.024 4.005 . 0 0 "[ . 1 . 2]" 1 943 1 103 LEU H 1 104 GLN HA 3.000 . 5.600 5.283 5.117 5.421 . 0 0 "[ . 1 . 2]" 1 944 1 103 LEU H 1 104 GLN HB3 3.000 . 5.600 5.093 4.597 5.609 0.009 19 0 "[ . 1 . 2]" 1 945 1 103 LEU H 1 104 GLN HB2 3.000 . 5.600 4.833 4.575 5.240 . 0 0 "[ . 1 . 2]" 1 946 1 103 LEU H 1 105 ASN H 3.000 . 5.600 4.402 4.191 4.610 . 0 0 "[ . 1 . 2]" 1 947 1 103 LEU H 1 106 LYS H 3.000 . 5.600 4.920 4.696 5.213 . 0 0 "[ . 1 . 2]" 1 948 1 103 LEU HG 1 107 ILE H 3.000 . 5.600 4.180 3.235 5.087 . 0 0 "[ . 1 . 2]" 1 949 1 103 LEU HA 1 107 ILE H 3.000 . 5.600 3.939 3.594 4.592 . 0 0 "[ . 1 . 2]" 1 950 1 104 GLN H 1 104 GLN HA 3.000 . 5.600 2.760 2.725 2.819 . 0 0 "[ . 1 . 2]" 1 951 1 104 GLN H 1 104 GLN QG 3.000 . 6.000 3.913 3.543 4.055 . 0 0 "[ . 1 . 2]" 1 952 1 104 GLN H 1 104 GLN QB 3.000 . 5.000 2.189 2.065 2.254 . 0 0 "[ . 1 . 2]" 1 953 1 104 GLN H 1 105 ASN H 3.000 . 4.600 2.901 2.787 2.992 . 0 0 "[ . 1 . 2]" 1 954 1 104 GLN HB2 1 105 ASN H 3.000 . 5.600 3.604 3.231 3.853 . 0 0 "[ . 1 . 2]" 1 955 1 104 GLN QG 1 105 ASN H 3.000 . 6.000 3.818 3.436 4.239 . 0 0 "[ . 1 . 2]" 1 956 1 104 GLN H 1 105 ASN HA 3.000 . 5.600 5.445 5.343 5.514 . 0 0 "[ . 1 . 2]" 1 957 1 104 GLN HB3 1 105 ASN H 3.000 . 5.600 2.380 2.216 2.567 . 0 0 "[ . 1 . 2]" 1 958 1 104 GLN HA 1 105 ASN H 3.000 . 5.600 3.563 3.546 3.579 . 0 0 "[ . 1 . 2]" 1 959 1 104 GLN HA 1 106 LYS H 3.000 . 5.600 4.507 4.083 4.881 . 0 0 "[ . 1 . 2]" 1 960 1 104 GLN QB 1 106 LYS H 3.000 . 6.000 4.671 4.425 4.876 . 0 0 "[ . 1 . 2]" 1 961 1 104 GLN H 1 106 LYS H 3.000 . 5.600 4.287 3.879 4.554 . 0 0 "[ . 1 . 2]" 1 962 1 104 GLN H 1 107 ILE H 3.000 . 5.600 4.684 4.489 4.923 . 0 0 "[ . 1 . 2]" 1 963 1 104 GLN HA 1 107 ILE H 3.000 . 5.600 3.558 3.193 3.792 . 0 0 "[ . 1 . 2]" 1 964 1 104 GLN H 1 108 LEU H 3.000 . 6.300 5.993 5.588 6.318 0.018 15 0 "[ . 1 . 2]" 1 965 1 105 ASN H 1 105 ASN HD21 3.000 . 6.000 4.017 2.795 4.978 . 0 0 "[ . 1 . 2]" 1 966 1 105 ASN H 1 105 ASN HD22 3.000 . 6.000 5.098 3.831 5.864 . 0 0 "[ . 1 . 2]" 1 967 1 105 ASN H 1 105 ASN HA 3.000 . 4.600 2.779 2.752 2.802 . 0 0 "[ . 1 . 2]" 1 968 1 105 ASN H 1 105 ASN HB3 3.000 . 4.600 3.155 2.533 3.589 . 0 0 "[ . 1 . 2]" 1 969 1 105 ASN H 1 105 ASN HB2 3.000 . 4.600 2.217 2.047 2.588 . 0 0 "[ . 1 . 2]" 1 970 1 105 ASN QB 1 106 LYS H 3.000 . 5.000 2.582 2.255 2.815 . 0 0 "[ . 1 . 2]" 1 971 1 105 ASN HA 1 106 LYS H 3.000 . 5.600 3.547 3.506 3.576 . 0 0 "[ . 1 . 2]" 1 972 1 105 ASN HA 1 107 ILE H 3.000 . 5.600 4.620 4.359 4.858 . 0 0 "[ . 1 . 2]" 1 973 1 105 ASN QB 1 107 ILE H 3.000 . 6.000 4.746 4.600 4.881 . 0 0 "[ . 1 . 2]" 1 974 1 105 ASN H 1 107 ILE H 3.000 . 5.600 4.276 4.160 4.386 . 0 0 "[ . 1 . 2]" 1 975 1 105 ASN HA 1 108 LEU H 3.000 . 5.600 3.730 3.424 3.954 . 0 0 "[ . 1 . 2]" 1 976 1 105 ASN QB 1 108 LEU H 3.000 . 6.000 5.090 4.849 5.398 . 0 0 "[ . 1 . 2]" 1 977 1 105 ASN H 1 108 LEU QD 3.000 . 6.000 4.148 3.439 4.763 . 0 0 "[ . 1 . 2]" 1 978 1 105 ASN H 1 108 LEU H 3.000 . 5.600 4.811 4.632 5.120 . 0 0 "[ . 1 . 2]" 1 979 1 106 LYS H 1 106 LYS QD 3.000 . 6.200 3.859 2.439 4.647 . 0 0 "[ . 1 . 2]" 1 980 1 106 LYS H 1 106 LYS QG 3.000 . 6.000 3.400 2.352 4.057 . 0 0 "[ . 1 . 2]" 1 981 1 106 LYS H 1 106 LYS HA 3.000 . 4.600 2.827 2.753 2.882 . 0 0 "[ . 1 . 2]" 1 982 1 106 LYS H 1 106 LYS QB 3.000 . 5.000 2.173 2.047 2.478 . 0 0 "[ . 1 . 2]" 1 983 1 106 LYS H 1 107 ILE H 3.000 . 4.600 2.666 2.468 2.912 . 0 0 "[ . 1 . 2]" 1 984 1 106 LYS H 1 107 ILE MD 3.000 . 6.000 5.470 4.353 6.100 0.100 4 0 "[ . 1 . 2]" 1 985 1 106 LYS HA 1 107 ILE H 3.000 . 5.600 3.554 3.527 3.580 . 0 0 "[ . 1 . 2]" 1 986 1 106 LYS HA 1 108 LEU H 3.000 . 5.600 4.444 4.133 4.931 . 0 0 "[ . 1 . 2]" 1 987 1 106 LYS HA 1 109 THR H 3.000 . 5.600 3.578 3.397 3.764 . 0 0 "[ . 1 . 2]" 1 988 1 106 LYS HA 1 110 ILE H 3.000 . 5.600 4.296 3.996 4.530 . 0 0 "[ . 1 . 2]" 1 989 1 107 ILE H 1 107 ILE HA 3.000 . 5.600 2.812 2.786 2.830 . 0 0 "[ . 1 . 2]" 1 990 1 107 ILE H 1 107 ILE MG 3.000 . 6.000 2.829 2.042 3.774 . 0 0 "[ . 1 . 2]" 1 991 1 107 ILE H 1 107 ILE HB 3.000 . 4.600 2.817 2.318 3.650 . 0 0 "[ . 1 . 2]" 1 992 1 107 ILE H 1 107 ILE MD 3.000 . 5.000 3.564 2.655 4.184 . 0 0 "[ . 1 . 2]" 1 993 1 107 ILE H 1 107 ILE QG 3.000 . 5.000 2.876 1.904 4.121 . 0 0 "[ . 1 . 2]" 1 994 1 107 ILE H 1 108 LEU H 3.000 . 4.600 2.705 2.603 2.884 . 0 0 "[ . 1 . 2]" 1 995 1 107 ILE HA 1 108 LEU H 3.000 . 5.600 3.538 3.487 3.589 . 0 0 "[ . 1 . 2]" 1 996 1 107 ILE H 1 108 LEU QB 3.000 . 6.000 4.654 4.388 5.226 . 0 0 "[ . 1 . 2]" 1 997 1 107 ILE H 1 108 LEU HG 3.000 . 5.600 4.831 3.901 5.657 0.057 8 0 "[ . 1 . 2]" 1 998 1 107 ILE H 1 109 THR H 3.000 . 5.600 4.257 4.096 4.411 . 0 0 "[ . 1 . 2]" 1 999 1 107 ILE H 1 110 ILE H 3.000 . 5.600 4.934 4.830 5.016 . 0 0 "[ . 1 . 2]" 1 1000 1 107 ILE HA 1 110 ILE H 3.000 . 5.600 3.645 3.505 3.791 . 0 0 "[ . 1 . 2]" 1 1001 1 107 ILE HA 1 111 LEU H 3.000 . 5.600 4.139 3.652 4.403 . 0 0 "[ . 1 . 2]" 1 1002 1 107 ILE MD 1 111 LEU H 3.000 . 6.000 5.033 3.612 5.726 . 0 0 "[ . 1 . 2]" 1 1003 1 107 ILE MG 1 111 LEU H 3.000 . 6.000 4.729 3.719 5.897 . 0 0 "[ . 1 . 2]" 1 1004 1 108 LEU H 1 108 LEU QB 3.000 . 5.000 2.331 2.095 2.691 . 0 0 "[ . 1 . 2]" 1 1005 1 108 LEU H 1 108 LEU MD1 3.000 . 6.000 3.616 2.753 3.916 . 0 0 "[ . 1 . 2]" 1 1006 1 108 LEU H 1 108 LEU MD2 3.000 . 6.000 3.630 2.673 4.239 . 0 0 "[ . 1 . 2]" 1 1007 1 108 LEU H 1 108 LEU HA 3.000 . 4.600 2.825 2.764 2.872 . 0 0 "[ . 1 . 2]" 1 1008 1 108 LEU H 1 108 LEU HG 3.000 . 4.600 2.648 1.947 3.233 . 0 0 "[ . 1 . 2]" 1 1009 1 108 LEU H 1 109 THR H 3.000 . 4.600 2.665 2.493 2.862 . 0 0 "[ . 1 . 2]" 1 1010 1 108 LEU HG 1 109 THR H 3.000 . 5.600 4.006 1.930 4.850 . 0 0 "[ . 1 . 2]" 1 1011 1 108 LEU QD 1 109 THR H 3.000 . 6.000 3.613 2.109 4.144 . 0 0 "[ . 1 . 2]" 1 1012 1 108 LEU QB 1 109 THR H 3.000 . 6.000 2.744 2.428 3.463 . 0 0 "[ . 1 . 2]" 1 1013 1 108 LEU HA 1 109 THR H 3.000 . 5.600 3.546 3.524 3.566 . 0 0 "[ . 1 . 2]" 1 1014 1 108 LEU H 1 109 THR HA 3.000 . 5.600 5.259 5.121 5.420 . 0 0 "[ . 1 . 2]" 1 1015 1 108 LEU H 1 110 ILE H 3.000 . 5.600 4.164 3.997 4.366 . 0 0 "[ . 1 . 2]" 1 1016 1 108 LEU HA 1 111 LEU H 3.000 . 5.600 3.437 3.223 3.742 . 0 0 "[ . 1 . 2]" 1 1017 1 108 LEU H 1 111 LEU QD 3.000 . 6.000 4.172 3.220 4.784 . 0 0 "[ . 1 . 2]" 1 1018 1 108 LEU H 1 111 LEU HG 3.000 . 5.600 5.151 4.309 5.586 . 0 0 "[ . 1 . 2]" 1 1019 1 109 THR H 1 109 THR MG 3.000 . 6.000 3.388 2.494 3.764 . 0 0 "[ . 1 . 2]" 1 1020 1 109 THR H 1 109 THR HA 3.000 . 4.600 2.783 2.752 2.810 . 0 0 "[ . 1 . 2]" 1 1021 1 109 THR H 1 109 THR HB 3.000 . 4.600 2.945 2.450 3.582 . 0 0 "[ . 1 . 2]" 1 1022 1 109 THR H 1 110 ILE H 3.000 . 4.600 2.769 2.688 2.873 . 0 0 "[ . 1 . 2]" 1 1023 1 109 THR MG 1 110 ILE H 3.000 . 6.000 3.813 3.326 4.219 . 0 0 "[ . 1 . 2]" 1 1024 1 109 THR HA 1 110 ILE H 3.000 . 5.600 3.539 3.516 3.558 . 0 0 "[ . 1 . 2]" 1 1025 1 109 THR HB 1 110 ILE H 3.000 . 5.600 2.896 2.549 3.571 . 0 0 "[ . 1 . 2]" 1 1026 1 109 THR H 1 110 ILE HB 3.000 . 5.600 5.181 5.069 5.318 . 0 0 "[ . 1 . 2]" 1 1027 1 109 THR H 1 110 ILE MD 3.000 . 6.000 4.913 4.197 5.384 . 0 0 "[ . 1 . 2]" 1 1028 1 109 THR H 1 111 LEU H 3.000 . 5.600 4.273 3.994 4.476 . 0 0 "[ . 1 . 2]" 1 1029 1 109 THR HB 1 111 LEU H 3.000 . 5.600 5.246 4.816 5.614 0.014 2 0 "[ . 1 . 2]" 1 1030 1 109 THR HA 1 111 LEU H 3.000 . 5.600 4.661 4.500 4.823 . 0 0 "[ . 1 . 2]" 1 1031 1 109 THR HA 1 112 GLN H 3.000 . 5.600 3.732 3.447 4.066 . 0 0 "[ . 1 . 2]" 1 1032 1 109 THR H 1 112 GLN QB 3.000 . 6.000 5.353 4.626 5.808 . 0 0 "[ . 1 . 2]" 1 1033 1 109 THR H 1 112 GLN QG 3.000 . 6.000 4.273 3.655 5.110 . 0 0 "[ . 1 . 2]" 1 1034 1 109 THR HA 1 113 GLY H 3.000 . 5.600 4.466 3.530 5.228 . 0 0 "[ . 1 . 2]" 1 1035 1 110 ILE H 1 110 ILE MD 3.000 . 6.000 3.211 2.454 3.670 . 0 0 "[ . 1 . 2]" 1 1036 1 110 ILE H 1 110 ILE MG 3.000 . 6.000 3.782 3.767 3.819 . 0 0 "[ . 1 . 2]" 1 1037 1 110 ILE H 1 110 ILE HA 3.000 . 4.600 2.851 2.783 2.900 . 0 0 "[ . 1 . 2]" 1 1038 1 110 ILE H 1 110 ILE HB 3.000 . 4.600 2.646 2.534 2.765 . 0 0 "[ . 1 . 2]" 1 1039 1 110 ILE H 1 110 ILE QG 3.000 . 5.000 2.026 1.866 2.230 . 0 0 "[ . 1 . 2]" 1 1040 1 110 ILE HB 1 111 LEU H 3.000 . 4.600 2.570 2.384 2.804 . 0 0 "[ . 1 . 2]" 1 1041 1 110 ILE MG 1 111 LEU H 3.000 . 6.000 3.596 3.379 3.807 . 0 0 "[ . 1 . 2]" 1 1042 1 110 ILE H 1 111 LEU H 3.000 . 5.600 2.592 2.368 2.848 . 0 0 "[ . 1 . 2]" 1 1043 1 110 ILE QG 1 111 LEU H 3.000 . 6.000 3.879 3.708 4.022 . 0 0 "[ . 1 . 2]" 1 1044 1 110 ILE H 1 111 LEU HG 3.000 . 5.600 4.622 3.850 5.646 0.046 5 0 "[ . 1 . 2]" 1 1045 1 110 ILE HA 1 112 GLN H 3.000 . 5.600 4.188 3.761 4.570 . 0 0 "[ . 1 . 2]" 1 1046 1 110 ILE H 1 112 GLN H 3.000 . 5.600 3.980 3.740 4.177 . 0 0 "[ . 1 . 2]" 1 1047 1 110 ILE H 1 112 GLN QG 3.000 . 6.000 4.652 3.967 5.560 . 0 0 "[ . 1 . 2]" 1 1048 1 110 ILE H 1 113 GLY H 3.000 . 5.600 4.724 4.437 5.195 . 0 0 "[ . 1 . 2]" 1 1049 1 110 ILE QG 1 113 GLY H 3.000 . 6.000 5.468 5.193 5.854 . 0 0 "[ . 1 . 2]" 1 1050 1 111 LEU H 1 111 LEU HA 3.000 . 5.600 2.814 2.766 2.864 . 0 0 "[ . 1 . 2]" 1 1051 1 111 LEU H 1 111 LEU HB3 3.000 . 5.600 3.460 2.343 3.616 . 0 0 "[ . 1 . 2]" 1 1052 1 111 LEU H 1 111 LEU HB2 3.000 . 5.600 2.533 2.184 3.599 . 0 0 "[ . 1 . 2]" 1 1053 1 111 LEU H 1 111 LEU QD 3.000 . 5.000 3.082 2.102 3.453 . 0 0 "[ . 1 . 2]" 1 1054 1 111 LEU H 1 111 LEU HG 3.000 . 4.600 2.517 1.900 3.742 . 0 0 "[ . 1 . 2]" 1 1055 1 111 LEU H 1 112 GLN H 3.000 . 4.600 2.657 2.513 2.822 . 0 0 "[ . 1 . 2]" 1 1056 1 111 LEU QB 1 112 GLN H 3.000 . 6.000 2.853 2.538 3.691 . 0 0 "[ . 1 . 2]" 1 1057 1 111 LEU QD 1 112 GLN H 3.000 . 6.000 3.994 2.797 4.332 . 0 0 "[ . 1 . 2]" 1 1058 1 111 LEU HA 1 112 GLN H 3.000 . 5.600 3.496 3.358 3.559 . 0 0 "[ . 1 . 2]" 1 1059 1 111 LEU H 1 112 GLN QB 3.000 . 6.000 4.828 4.322 5.071 . 0 0 "[ . 1 . 2]" 1 1060 1 111 LEU H 1 112 GLN HG3 3.000 . 5.600 4.869 4.127 5.620 0.020 9 0 "[ . 1 . 2]" 1 1061 1 111 LEU H 1 112 GLN HG2 3.000 . 5.600 4.730 4.082 5.648 0.048 18 0 "[ . 1 . 2]" 1 1062 1 111 LEU H 1 113 GLY H 3.000 . 5.600 4.037 3.789 4.537 . 0 0 "[ . 1 . 2]" 1 1063 1 111 LEU HA 1 113 GLY H 3.000 . 5.600 4.154 3.676 4.840 . 0 0 "[ . 1 . 2]" 1 1064 1 111 LEU QD 1 113 GLY H 3.000 . 6.000 5.167 4.461 5.749 . 0 0 "[ . 1 . 2]" 1 1065 1 112 GLN H 1 112 GLN HE21 3.000 . 6.000 4.373 3.682 5.022 . 0 0 "[ . 1 . 2]" 1 1066 1 112 GLN H 1 112 GLN HE22 3.000 . 6.000 5.728 5.257 6.003 0.003 16 0 "[ . 1 . 2]" 1 1067 1 112 GLN H 1 112 GLN HA 3.000 . 4.600 2.888 2.824 2.935 . 0 0 "[ . 1 . 2]" 1 1068 1 112 GLN H 1 112 GLN QB 3.000 . 5.000 2.543 2.279 2.707 . 0 0 "[ . 1 . 2]" 1 1069 1 112 GLN H 1 112 GLN HG3 3.000 . 4.600 2.841 2.087 3.610 . 0 0 "[ . 1 . 2]" 1 1070 1 112 GLN H 1 112 GLN HG2 3.000 . 4.600 2.698 2.050 3.821 . 0 0 "[ . 1 . 2]" 1 1071 1 112 GLN H 1 113 GLY H 3.000 . 4.600 2.434 2.216 2.818 . 0 0 "[ . 1 . 2]" 1 1072 1 112 GLN HA 1 113 GLY H 3.000 . 4.600 3.416 2.980 3.570 . 0 0 "[ . 1 . 2]" 1 1073 1 112 GLN QB 1 113 GLY H 3.000 . 6.000 3.274 2.231 4.035 . 0 0 "[ . 1 . 2]" 1 1074 1 112 GLN HG3 1 113 GLY H 3.000 . 5.600 3.753 2.048 5.369 . 0 0 "[ . 1 . 2]" 1 1075 1 112 GLN HG2 1 113 GLY H 3.000 . 5.600 4.169 2.827 5.111 . 0 0 "[ . 1 . 2]" 1 1076 1 113 GLY H 1 113 GLY HA3 3.000 . 4.600 2.680 2.291 2.957 . 0 0 "[ . 1 . 2]" 1 1077 1 113 GLY H 1 113 GLY HA2 3.000 . 4.600 2.636 2.294 2.951 . 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 56 _Distance_constraint_stats_list.Viol_count 81 _Distance_constraint_stats_list.Viol_total 36.364 _Distance_constraint_stats_list.Viol_max 0.075 _Distance_constraint_stats_list.Viol_rms 0.0075 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0016 _Distance_constraint_stats_list.Viol_average_violations_only 0.0224 _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 22 ARG 0.144 0.036 4 0 "[ . 1 . 2]" 1 23 LYS 0.369 0.063 9 0 "[ . 1 . 2]" 1 24 ILE 0.285 0.052 13 0 "[ . 1 . 2]" 1 25 ILE 0.360 0.075 4 0 "[ . 1 . 2]" 1 26 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 27 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 36 THR 0.011 0.008 1 0 "[ . 1 . 2]" 1 37 MET 0.000 0.000 11 0 "[ . 1 . 2]" 1 38 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 39 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 40 GLU 0.021 0.011 5 0 "[ . 1 . 2]" 1 41 GLU 0.181 0.034 12 0 "[ . 1 . 2]" 1 42 ILE 0.020 0.020 17 0 "[ . 1 . 2]" 1 43 LYS 0.035 0.018 12 0 "[ . 1 . 2]" 1 44 GLU 0.011 0.011 5 0 "[ . 1 . 2]" 1 45 LEU 0.180 0.034 12 0 "[ . 1 . 2]" 1 46 CYS 0.020 0.020 17 0 "[ . 1 . 2]" 1 47 GLN 0.035 0.018 12 0 "[ . 1 . 2]" 1 54 GLU 0.428 0.052 13 0 "[ . 1 . 2]" 1 56 ILE 0.000 0.000 . 0 "[ . 1 . 2]" 1 58 CYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 62 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 66 TYR 0.000 0.000 . 0 "[ . 1 . 2]" 1 72 LEU 0.729 0.075 4 0 "[ . 1 . 2]" 1 73 ILE 0.022 0.022 11 0 "[ . 1 . 2]" 1 74 CYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 75 THR 0.071 0.043 5 0 "[ . 1 . 2]" 1 87 PRO 0.022 0.022 11 0 "[ . 1 . 2]" 1 89 VAL 0.071 0.043 5 0 "[ . 1 . 2]" 1 100 ILE 0.042 0.020 19 0 "[ . 1 . 2]" 1 103 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 104 GLN 0.042 0.020 19 0 "[ . 1 . 2]" 1 105 ASN 0.070 0.037 4 0 "[ . 1 . 2]" 1 106 LYS 0.166 0.044 8 0 "[ . 1 . 2]" 1 107 ILE 0.013 0.009 13 0 "[ . 1 . 2]" 1 108 LEU 0.021 0.021 9 0 "[ . 1 . 2]" 1 109 THR 0.070 0.037 4 0 "[ . 1 . 2]" 1 110 ILE 0.166 0.044 8 0 "[ . 1 . 2]" 1 111 LEU 0.013 0.009 13 0 "[ . 1 . 2]" 1 112 GLN 0.021 0.021 9 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 24 ILE H 1 54 GLU O 2.000 . 2.300 2.296 2.207 2.352 0.052 13 0 "[ . 1 . 2]" 2 2 1 24 ILE N 1 54 GLU O 3.000 2.500 3.300 3.072 2.951 3.193 . 0 0 "[ . 1 . 2]" 2 3 1 26 VAL H 1 56 ILE O 2.000 . 2.300 1.931 1.749 2.220 . 0 0 "[ . 1 . 2]" 2 4 1 26 VAL N 1 56 ILE O 3.000 2.500 3.300 2.737 2.598 3.024 . 0 0 "[ . 1 . 2]" 2 5 1 22 ARG O 1 54 GLU H 2.000 . 2.300 2.249 2.111 2.336 0.036 4 0 "[ . 1 . 2]" 2 6 1 22 ARG O 1 54 GLU N 3.000 2.500 3.300 3.163 3.010 3.313 0.013 4 0 "[ . 1 . 2]" 2 7 1 24 ILE O 1 56 ILE H 2.000 . 2.300 1.761 1.580 2.081 . 0 0 "[ . 1 . 2]" 2 8 1 24 ILE O 1 56 ILE N 3.000 2.500 3.300 2.730 2.554 3.018 . 0 0 "[ . 1 . 2]" 2 9 1 26 VAL O 1 58 CYS H 2.000 . 2.300 1.985 1.628 2.284 . 0 0 "[ . 1 . 2]" 2 10 1 26 VAL O 1 58 CYS N 3.000 2.500 3.300 2.926 2.592 3.229 . 0 0 "[ . 1 . 2]" 2 11 1 25 ILE H 1 72 LEU O 2.000 . 2.300 2.250 2.046 2.375 0.075 4 0 "[ . 1 . 2]" 2 12 1 25 ILE N 1 72 LEU O 3.000 2.500 3.300 3.018 2.875 3.145 . 0 0 "[ . 1 . 2]" 2 13 1 27 ALA H 1 74 CYS O 2.000 . 2.300 2.087 1.772 2.277 . 0 0 "[ . 1 . 2]" 2 14 1 27 ALA N 1 74 CYS O 3.000 2.500 3.300 3.038 2.745 3.250 . 0 0 "[ . 1 . 2]" 2 15 1 23 LYS O 1 72 LEU H 2.000 . 2.300 2.294 2.021 2.363 0.063 9 0 "[ . 1 . 2]" 2 16 1 23 LYS O 1 72 LEU N 3.000 2.500 3.300 3.238 2.927 3.304 0.004 10 0 "[ . 1 . 2]" 2 17 1 25 ILE O 1 74 CYS H 2.000 . 2.300 1.847 1.685 2.072 . 0 0 "[ . 1 . 2]" 2 18 1 25 ILE O 1 74 CYS N 3.000 2.500 3.300 2.708 2.530 2.960 . 0 0 "[ . 1 . 2]" 2 19 1 73 ILE H 1 87 PRO O 2.000 . 2.300 2.058 1.744 2.322 0.022 11 0 "[ . 1 . 2]" 2 20 1 73 ILE N 1 87 PRO O 3.000 2.500 3.300 2.977 2.647 3.272 . 0 0 "[ . 1 . 2]" 2 21 1 75 THR H 1 89 VAL O 2.000 . 2.300 2.212 1.962 2.343 0.043 5 0 "[ . 1 . 2]" 2 22 1 75 THR N 1 89 VAL O 3.000 2.500 3.300 3.008 2.695 3.176 . 0 0 "[ . 1 . 2]" 2 23 1 73 ILE O 1 89 VAL H 2.000 . 2.300 1.919 1.724 2.281 . 0 0 "[ . 1 . 2]" 2 24 1 73 ILE O 1 89 VAL N 3.000 2.500 3.300 2.712 2.524 3.003 . 0 0 "[ . 1 . 2]" 2 25 1 36 THR O 1 40 GLU H 2.000 . 2.300 1.891 1.630 2.308 0.008 1 0 "[ . 1 . 2]" 2 26 1 36 THR O 1 40 GLU N 3.000 2.500 3.300 2.829 2.590 3.226 . 0 0 "[ . 1 . 2]" 2 27 1 37 MET O 1 41 GLU H 2.000 . 2.300 2.000 1.670 2.300 0.000 11 0 "[ . 1 . 2]" 2 28 1 37 MET O 1 41 GLU N 3.000 2.500 3.300 2.861 2.595 3.086 . 0 0 "[ . 1 . 2]" 2 29 1 38 ALA O 1 42 ILE H 2.000 . 2.300 1.689 1.584 1.934 . 0 0 "[ . 1 . 2]" 2 30 1 38 ALA O 1 42 ILE N 3.000 2.500 3.300 2.660 2.555 2.897 . 0 0 "[ . 1 . 2]" 2 31 1 39 ALA O 1 43 LYS H 2.000 . 2.300 1.915 1.683 2.186 . 0 0 "[ . 1 . 2]" 2 32 1 39 ALA O 1 43 LYS N 3.000 2.500 3.300 2.800 2.611 3.054 . 0 0 "[ . 1 . 2]" 2 33 1 40 GLU O 1 44 GLU H 2.000 . 2.300 1.977 1.621 2.311 0.011 5 0 "[ . 1 . 2]" 2 34 1 40 GLU O 1 44 GLU N 3.000 2.500 3.300 2.938 2.595 3.286 . 0 0 "[ . 1 . 2]" 2 35 1 41 GLU O 1 45 LEU H 2.000 . 2.300 2.254 2.062 2.334 0.034 12 0 "[ . 1 . 2]" 2 36 1 41 GLU O 1 45 LEU N 3.000 2.500 3.300 3.137 3.001 3.226 . 0 0 "[ . 1 . 2]" 2 37 1 42 ILE O 1 46 CYS H 2.000 . 2.300 2.060 1.751 2.320 0.020 17 0 "[ . 1 . 2]" 2 38 1 42 ILE O 1 46 CYS N 3.000 2.500 3.300 3.010 2.730 3.255 . 0 0 "[ . 1 . 2]" 2 39 1 43 LYS O 1 47 GLN H 2.000 . 2.300 2.183 1.898 2.318 0.018 12 0 "[ . 1 . 2]" 2 40 1 43 LYS O 1 47 GLN N 3.000 2.500 3.300 3.109 2.861 3.260 . 0 0 "[ . 1 . 2]" 2 41 1 62 GLU O 1 66 TYR H 2.000 . 2.300 1.877 1.623 2.110 . 0 0 "[ . 1 . 2]" 2 42 1 62 GLU O 1 66 TYR N 3.000 2.500 3.300 2.832 2.595 3.039 . 0 0 "[ . 1 . 2]" 2 43 1 100 ILE O 1 104 GLN H 2.000 . 2.300 1.604 1.514 1.700 . 0 0 "[ . 1 . 2]" 2 44 1 100 ILE O 1 104 GLN N 3.000 2.500 3.300 2.533 2.480 2.637 0.020 19 0 "[ . 1 . 2]" 2 45 1 103 LEU O 1 107 ILE H 2.000 . 2.300 1.800 1.569 2.197 . 0 0 "[ . 1 . 2]" 2 46 1 103 LEU O 1 107 ILE N 3.000 2.500 3.300 2.747 2.530 3.111 . 0 0 "[ . 1 . 2]" 2 47 1 104 GLN O 1 108 LEU H 2.000 . 2.300 1.952 1.719 2.159 . 0 0 "[ . 1 . 2]" 2 48 1 104 GLN O 1 108 LEU N 3.000 2.500 3.300 2.878 2.654 3.113 . 0 0 "[ . 1 . 2]" 2 49 1 105 ASN O 1 109 THR H 2.000 . 2.300 2.145 1.681 2.337 0.037 4 0 "[ . 1 . 2]" 2 50 1 105 ASN O 1 109 THR N 3.000 2.500 3.300 3.079 2.658 3.252 . 0 0 "[ . 1 . 2]" 2 51 1 106 LYS O 1 110 ILE H 2.000 . 2.300 2.249 2.053 2.344 0.044 8 0 "[ . 1 . 2]" 2 52 1 106 LYS O 1 110 ILE N 3.000 2.500 3.300 3.165 2.982 3.253 . 0 0 "[ . 1 . 2]" 2 53 1 107 ILE O 1 111 LEU H 2.000 . 2.300 2.068 1.645 2.309 0.009 13 0 "[ . 1 . 2]" 2 54 1 107 ILE O 1 111 LEU N 3.000 2.500 3.300 3.000 2.588 3.248 . 0 0 "[ . 1 . 2]" 2 55 1 108 LEU O 1 112 GLN H 2.000 . 2.300 2.024 1.720 2.321 0.021 9 0 "[ . 1 . 2]" 2 56 1 108 LEU O 1 112 GLN N 3.000 2.500 3.300 2.887 2.607 3.127 . 0 0 "[ . 1 . 2]" 2 stop_ save_
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