NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
370943 | 1bzf | 4262 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1bzf 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 1797 _Distance_constraint_stats_list.Viol_count 223 _Distance_constraint_stats_list.Viol_total 21.166 _Distance_constraint_stats_list.Viol_max 0.098 _Distance_constraint_stats_list.Viol_rms 0.0009 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0000 _Distance_constraint_stats_list.Viol_average_violations_only 0.0043 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 1 THR 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 2 ALA 0.005 0.005 18 0 "[ . 1 . 2 ]" 1 3 PHE 0.052 0.008 19 0 "[ . 1 . 2 ]" 1 4 LEU 0.023 0.006 15 0 "[ . 1 . 2 ]" 1 5 TRP 0.043 0.006 9 0 "[ . 1 . 2 ]" 1 6 ALA 0.029 0.009 18 0 "[ . 1 . 2 ]" 1 7 GLN 0.025 0.006 9 0 "[ . 1 . 2 ]" 1 8 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 9 ARG 0.002 0.002 19 0 "[ . 1 . 2 ]" 1 10 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 11 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 12 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 13 ILE 0.012 0.004 2 0 "[ . 1 . 2 ]" 1 14 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 15 LYS 0.065 0.009 12 0 "[ . 1 . 2 ]" 1 16 ASP 0.011 0.010 13 0 "[ . 1 . 2 ]" 1 17 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 18 HIS 0.062 0.009 12 0 "[ . 1 . 2 ]" 1 19 LEU 0.024 0.005 12 0 "[ . 1 . 2 ]" 1 20 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 21 TRP 0.025 0.005 12 0 "[ . 1 . 2 ]" 1 22 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 23 LEU 0.048 0.005 14 0 "[ . 1 . 2 ]" 1 24 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 25 ASP 0.008 0.004 7 0 "[ . 1 . 2 ]" 1 26 ASP 0.054 0.005 14 0 "[ . 1 . 2 ]" 1 27 LEU 0.060 0.013 19 0 "[ . 1 . 2 ]" 1 28 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 29 TYR 0.043 0.008 22 0 "[ . 1 . 2 ]" 1 30 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 31 ARG 0.000 0.000 13 0 "[ . 1 . 2 ]" 1 32 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 33 GLN 0.000 0.000 13 0 "[ . 1 . 2 ]" 1 34 THR 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 35 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 36 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 37 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 38 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 39 MET 0.004 0.004 19 0 "[ . 1 . 2 ]" 1 40 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 41 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 43 ARG 0.005 0.004 4 0 "[ . 1 . 2 ]" 1 44 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 45 THR 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 46 TYR 0.004 0.004 4 0 "[ . 1 . 2 ]" 1 47 GLU 0.002 0.002 17 0 "[ . 1 . 2 ]" 1 48 SER 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 49 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 50 PRO 0.004 0.002 13 0 "[ . 1 . 2 ]" 1 51 LYS 0.004 0.002 13 0 "[ . 1 . 2 ]" 1 52 ARG 0.002 0.002 17 0 "[ . 1 . 2 ]" 1 53 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 54 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 55 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 56 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 57 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 58 THR 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 59 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 60 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 61 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 62 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 63 THR 0.001 0.001 20 0 "[ . 1 . 2 ]" 1 64 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 65 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 66 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 67 ASP 0.098 0.098 16 0 "[ . 1 . 2 ]" 1 68 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 69 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 70 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 71 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 72 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 73 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 74 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 75 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 76 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 77 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 78 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 79 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 80 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 81 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 82 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 83 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 84 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 85 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 86 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 87 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 88 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 89 HIS 0.008 0.002 3 0 "[ . 1 . 2 ]" 1 90 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 91 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 92 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 93 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 94 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 95 VAL 0.004 0.004 19 0 "[ . 1 . 2 ]" 1 96 ILE 0.010 0.004 16 0 "[ . 1 . 2 ]" 1 97 ALA 0.020 0.006 15 0 "[ . 1 . 2 ]" 1 98 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 99 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 100 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 101 GLN 0.186 0.094 3 0 "[ . 1 . 2 ]" 1 102 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 103 PHE 0.014 0.008 19 0 "[ . 1 . 2 ]" 1 104 THR 0.112 0.023 7 0 "[ . 1 . 2 ]" 1 105 ALA 0.040 0.023 7 0 "[ . 1 . 2 ]" 1 106 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 107 LYS 0.001 0.001 2 0 "[ . 1 . 2 ]" 1 108 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 109 ASP 0.001 0.001 2 0 "[ . 1 . 2 ]" 1 110 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 111 ASP 0.005 0.003 8 0 "[ . 1 . 2 ]" 1 112 THR 0.005 0.003 8 0 "[ . 1 . 2 ]" 1 113 LEU 0.031 0.006 16 0 "[ . 1 . 2 ]" 1 114 LEU 0.065 0.008 22 0 "[ . 1 . 2 ]" 1 115 VAL 0.003 0.001 22 0 "[ . 1 . 2 ]" 1 116 THR 0.025 0.009 18 0 "[ . 1 . 2 ]" 1 117 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 118 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 119 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 120 GLY 0.003 0.002 10 0 "[ . 1 . 2 ]" 1 121 SER 0.002 0.002 19 0 "[ . 1 . 2 ]" 1 122 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 123 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 124 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 125 ASP 0.002 0.002 9 0 "[ . 1 . 2 ]" 1 126 THR 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 127 LYS 0.012 0.004 2 0 "[ . 1 . 2 ]" 1 128 MET 0.011 0.006 11 0 "[ . 1 . 2 ]" 1 129 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 130 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 131 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 132 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 133 TRP 0.017 0.004 15 0 "[ . 1 . 2 ]" 1 134 ASP 0.019 0.006 2 0 "[ . 1 . 2 ]" 1 135 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 136 PHE 0.043 0.005 20 0 "[ . 1 . 2 ]" 1 137 THR 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 138 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 139 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 140 SER 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 141 SER 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 142 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 143 THR 0.001 0.001 14 0 "[ . 1 . 2 ]" 1 144 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 145 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 146 ASP 0.010 0.004 13 0 "[ . 1 . 2 ]" 1 147 THR 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 148 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 149 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 150 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 151 LEU 0.003 0.002 10 0 "[ . 1 . 2 ]" 1 152 THR 0.010 0.004 13 0 "[ . 1 . 2 ]" 1 153 HIS 0.015 0.004 13 0 "[ . 1 . 2 ]" 1 154 THR 0.001 0.001 14 0 "[ . 1 . 2 ]" 1 155 TYR 0.001 0.001 12 0 "[ . 1 . 2 ]" 1 156 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 157 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 158 TRP 0.045 0.005 20 0 "[ . 1 . 2 ]" 1 159 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 160 LYS 0.015 0.004 5 0 "[ . 1 . 2 ]" 1 161 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 162 ALA 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 1 THR MG 1 106 PHE QD 5.500 . 5.500 3.451 2.422 4.340 . 0 0 "[ . 1 . 2 ]" 1 2 1 3 PHE HA 1 103 PHE QE 3.500 . 3.500 3.017 2.564 3.370 . 0 0 "[ . 1 . 2 ]" 1 3 1 3 PHE HA 1 110 VAL QG 5.500 . 5.500 4.332 3.979 4.573 . 0 0 "[ . 1 . 2 ]" 1 4 1 3 PHE HB3 1 103 PHE QE 4.500 . 4.500 3.785 3.516 4.005 . 0 0 "[ . 1 . 2 ]" 1 5 1 3 PHE QD 1 96 ILE HB 3.500 . 4.000 3.766 3.538 3.963 . 0 0 "[ . 1 . 2 ]" 1 6 1 3 PHE QD 1 96 ILE H 4.500 . 4.500 4.438 4.204 4.504 0.004 16 0 "[ . 1 . 2 ]" 1 7 1 3 PHE QD 1 96 ILE QG 4.500 . 4.500 3.637 3.288 3.926 . 0 0 "[ . 1 . 2 ]" 1 8 1 3 PHE QD 1 96 ILE MG 5.500 . 5.500 4.144 3.718 4.480 . 0 0 "[ . 1 . 2 ]" 1 9 1 3 PHE QD 1 103 PHE QD 4.500 . 4.500 2.587 2.362 2.841 . 0 0 "[ . 1 . 2 ]" 1 10 1 3 PHE QD 1 110 VAL MG1 5.500 . 5.500 4.463 4.208 4.651 . 0 0 "[ . 1 . 2 ]" 1 11 1 3 PHE QD 1 110 VAL MG2 3.500 . 3.500 2.140 2.083 2.197 . 0 0 "[ . 1 . 2 ]" 1 12 1 3 PHE QD 1 113 LEU MD2 4.500 . 4.500 3.201 2.990 3.391 . 0 0 "[ . 1 . 2 ]" 1 13 1 3 PHE QD 1 128 MET ME 3.500 . 4.500 3.638 3.461 3.928 . 0 0 "[ . 1 . 2 ]" 1 14 1 3 PHE QD 1 131 LEU MD2 4.500 . 4.500 3.721 3.303 4.165 . 0 0 "[ . 1 . 2 ]" 1 15 1 3 PHE QE 1 96 ILE QG 4.500 . 4.500 3.181 2.701 3.414 . 0 0 "[ . 1 . 2 ]" 1 16 1 3 PHE QE 1 103 PHE HB3 4.500 . 4.500 2.239 2.003 2.653 . 0 0 "[ . 1 . 2 ]" 1 17 1 3 PHE QE 1 103 PHE HB2 5.500 . 5.500 3.853 3.634 4.253 . 0 0 "[ . 1 . 2 ]" 1 18 1 3 PHE QE 1 103 PHE QD 4.500 . 4.500 2.529 2.367 2.700 . 0 0 "[ . 1 . 2 ]" 1 19 1 3 PHE QE 1 106 PHE H 5.500 . 5.500 4.390 4.275 4.605 . 0 0 "[ . 1 . 2 ]" 1 20 1 3 PHE QE 1 106 PHE HB3 3.500 . 3.500 3.130 2.623 3.499 . 0 0 "[ . 1 . 2 ]" 1 21 1 3 PHE QE 1 106 PHE HB2 4.500 . 4.500 3.568 3.208 3.894 . 0 0 "[ . 1 . 2 ]" 1 22 1 3 PHE QE 1 106 PHE QD 5.500 . 6.000 4.749 4.240 5.016 . 0 0 "[ . 1 . 2 ]" 1 23 1 3 PHE QE 1 107 LYS H 5.500 . 5.500 4.306 4.058 4.468 . 0 0 "[ . 1 . 2 ]" 1 24 1 3 PHE QE 1 107 LYS HA 3.500 . 4.000 3.285 3.069 3.571 . 0 0 "[ . 1 . 2 ]" 1 25 1 3 PHE QE 1 110 VAL HB 3.500 . 3.500 2.537 2.321 2.746 . 0 0 "[ . 1 . 2 ]" 1 26 1 3 PHE QE 1 128 MET ME 4.500 . 4.500 4.323 3.966 4.506 0.006 11 0 "[ . 1 . 2 ]" 1 27 1 3 PHE QE 1 129 ILE MD 4.500 . 4.500 3.605 3.294 3.804 . 0 0 "[ . 1 . 2 ]" 1 28 1 3 PHE QE 1 131 LEU MD1 5.500 . 5.500 4.787 4.456 5.042 . 0 0 "[ . 1 . 2 ]" 1 29 1 3 PHE QE 1 131 LEU MD2 4.500 . 4.500 3.691 3.212 3.964 . 0 0 "[ . 1 . 2 ]" 1 30 1 3 PHE HZ 1 103 PHE QD 5.500 . 5.500 3.891 3.678 4.073 . 0 0 "[ . 1 . 2 ]" 1 31 1 3 PHE HZ 1 110 VAL QG 4.500 . 4.500 3.571 3.342 3.861 . 0 0 "[ . 1 . 2 ]" 1 32 1 4 LEU HB3 1 30 PHE QE 10.000 4.500 10.000 4.598 4.558 4.671 . 0 0 "[ . 1 . 2 ]" 1 33 1 4 LEU HG 1 30 PHE QD 4.500 . 5.000 4.793 4.638 4.997 . 0 0 "[ . 1 . 2 ]" 1 34 1 4 LEU HG 1 30 PHE QE 5.500 . 5.500 5.256 5.038 5.451 . 0 0 "[ . 1 . 2 ]" 1 35 1 4 LEU MD1 1 29 TYR QD 5.500 . 5.500 3.517 3.292 3.671 . 0 0 "[ . 1 . 2 ]" 1 36 1 4 LEU MD1 1 29 TYR QE 3.500 . 4.500 2.934 2.781 3.103 . 0 0 "[ . 1 . 2 ]" 1 37 1 4 LEU MD2 1 29 TYR QE 5.500 . 6.500 3.688 3.396 4.005 . 0 0 "[ . 1 . 2 ]" 1 38 1 4 LEU MD1 1 30 PHE QD 5.500 . 5.500 5.170 5.001 5.307 . 0 0 "[ . 1 . 2 ]" 1 39 1 4 LEU MD2 1 30 PHE QD 3.500 . 3.500 2.795 2.667 2.883 . 0 0 "[ . 1 . 2 ]" 1 40 1 4 LEU MD2 1 30 PHE QE 3.500 . 3.500 3.241 2.982 3.399 . 0 0 "[ . 1 . 2 ]" 1 41 1 4 LEU QB 1 95 VAL QG 3.500 . 4.000 2.769 2.388 2.995 . 0 0 "[ . 1 . 2 ]" 1 42 1 4 LEU H 1 103 PHE QD 5.500 . 5.500 4.403 4.217 4.792 . 0 0 "[ . 1 . 2 ]" 1 43 1 4 LEU H 1 103 PHE QE 3.500 . 3.500 2.458 2.279 2.720 . 0 0 "[ . 1 . 2 ]" 1 44 1 5 TRP QB 1 103 PHE QE 3.500 . 3.500 2.785 2.450 2.898 . 0 0 "[ . 1 . 2 ]" 1 45 1 6 ALA HA 1 115 VAL QG 5.500 . 5.500 4.218 3.850 4.417 . 0 0 "[ . 1 . 2 ]" 1 46 1 6 ALA MB 1 19 LEU QD 4.500 . 4.500 2.369 2.038 2.571 . 0 0 "[ . 1 . 2 ]" 1 47 1 7 GLN QB 1 11 GLY QA 3.500 . 4.000 3.803 3.665 3.975 . 0 0 "[ . 1 . 2 ]" 1 48 1 7 GLN QG 1 115 VAL MG1 5.500 . 6.000 4.272 4.148 4.434 . 0 0 "[ . 1 . 2 ]" 1 49 1 7 GLN QG 1 115 VAL MG2 3.500 . 3.500 1.988 1.882 2.130 . 0 0 "[ . 1 . 2 ]" 1 50 1 8 ASP HB3 1 122 PHE QD 3.500 . 3.500 2.883 2.504 3.156 . 0 0 "[ . 1 . 2 ]" 1 51 1 8 ASP HB2 1 122 PHE QD 3.500 . 4.000 3.362 3.187 3.500 . 0 0 "[ . 1 . 2 ]" 1 52 1 13 ILE HA 1 19 LEU QD 5.500 . 7.000 3.933 3.758 4.248 . 0 0 "[ . 1 . 2 ]" 1 53 1 13 ILE MD 1 103 PHE QD 5.500 . 6.000 4.699 4.259 5.971 . 0 0 "[ . 1 . 2 ]" 1 54 1 13 ILE MD 1 103 PHE QE 5.500 . 6.000 4.414 3.953 5.999 . 0 0 "[ . 1 . 2 ]" 1 55 1 14 GLY QA 1 20 PRO QD 3.500 . 3.500 2.128 1.904 2.890 . 0 0 "[ . 1 . 2 ]" 1 56 1 15 LYS QB 1 124 GLY QA 3.500 . 3.500 2.390 2.170 2.689 . 0 0 "[ . 1 . 2 ]" 1 57 1 21 TRP HB3 1 122 PHE QE 5.500 . 5.500 3.136 2.916 3.343 . 0 0 "[ . 1 . 2 ]" 1 58 1 21 TRP HE3 1 122 PHE QD 3.500 . 3.500 2.809 2.517 3.027 . 0 0 "[ . 1 . 2 ]" 1 59 1 21 TRP HE3 1 122 PHE QE 5.500 . 5.500 4.373 3.864 4.544 . 0 0 "[ . 1 . 2 ]" 1 60 1 21 TRP HZ3 1 122 PHE QD 4.500 . 4.500 4.145 3.688 4.358 . 0 0 "[ . 1 . 2 ]" 1 61 1 26 ASP HA 1 155 TYR QE 4.500 . 4.500 3.720 3.418 4.076 . 0 0 "[ . 1 . 2 ]" 1 62 1 26 ASP HB2 1 155 TYR QE 5.500 . 5.500 4.231 3.929 4.531 . 0 0 "[ . 1 . 2 ]" 1 63 1 29 TYR HB3 1 155 TYR QE 4.500 . 4.500 3.939 3.575 4.419 . 0 0 "[ . 1 . 2 ]" 1 64 1 29 TYR HB2 1 155 TYR QE 4.500 . 4.500 4.279 3.908 4.477 . 0 0 "[ . 1 . 2 ]" 1 65 1 29 TYR QD 1 155 TYR QD 5.500 . 5.500 4.138 3.835 4.499 . 0 0 "[ . 1 . 2 ]" 1 66 1 29 TYR QD 1 155 TYR QE 4.500 . 4.500 3.334 2.783 4.087 . 0 0 "[ . 1 . 2 ]" 1 67 1 29 TYR QE 1 114 LEU HB3 4.500 . 4.500 4.501 4.492 4.508 0.008 22 0 "[ . 1 . 2 ]" 1 68 1 29 TYR QE 1 114 LEU HB2 5.500 . 6.000 5.525 5.448 5.570 . 0 0 "[ . 1 . 2 ]" 1 69 1 29 TYR QE 1 114 LEU MD1 5.500 . 5.500 3.682 3.462 3.863 . 0 0 "[ . 1 . 2 ]" 1 70 1 29 TYR QE 1 155 TYR QB 4.500 . 4.500 4.488 4.468 4.501 0.001 12 0 "[ . 1 . 2 ]" 1 71 1 29 TYR QE 1 155 TYR QD 5.500 . 5.500 4.036 3.573 4.636 . 0 0 "[ . 1 . 2 ]" 1 72 1 29 TYR QE 1 155 TYR QE 5.500 . 6.000 4.526 3.906 5.155 . 0 0 "[ . 1 . 2 ]" 1 73 1 30 PHE QD 1 54 LEU MD1 5.500 . 5.500 4.166 3.708 4.875 . 0 0 "[ . 1 . 2 ]" 1 74 1 30 PHE QD 1 97 ALA MB 5.500 . 6.500 4.183 3.907 4.430 . 0 0 "[ . 1 . 2 ]" 1 75 1 30 PHE QE 1 39 MET ME 5.500 . 6.500 4.095 3.646 4.371 . 0 0 "[ . 1 . 2 ]" 1 76 1 30 PHE QE 1 41 VAL MG1 5.500 . 6.500 4.328 4.093 4.534 . 0 0 "[ . 1 . 2 ]" 1 77 1 30 PHE QE 1 97 ALA MB 2.500 . 3.500 2.151 1.909 2.484 . 0 0 "[ . 1 . 2 ]" 1 78 1 30 PHE QE 1 54 LEU MD1 3.500 . 3.500 2.682 2.244 3.365 . 0 0 "[ . 1 . 2 ]" 1 79 1 35 VAL QG 1 57 ARG HE 5.500 . 5.500 3.158 2.382 4.272 . 0 0 "[ . 1 . 2 ]" 1 80 1 35 VAL QG 1 57 ARG QB 5.500 . 6.500 3.476 2.666 4.129 . 0 0 "[ . 1 . 2 ]" 1 81 1 38 ILE H 1 95 VAL QG 5.500 . 5.500 3.514 2.977 4.055 . 0 0 "[ . 1 . 2 ]" 1 82 1 38 ILE QG 1 85 TYR QD 5.500 . 5.500 3.722 3.253 4.083 . 0 0 "[ . 1 . 2 ]" 1 83 1 38 ILE QG 1 85 TYR QE 4.500 . 4.500 3.475 3.020 4.022 . 0 0 "[ . 1 . 2 ]" 1 84 1 38 ILE MG 1 85 TYR QD 4.500 . 4.500 3.266 2.808 3.973 . 0 0 "[ . 1 . 2 ]" 1 85 1 38 ILE MG 1 85 TYR QE 5.500 . 5.500 3.818 3.190 4.553 . 0 0 "[ . 1 . 2 ]" 1 86 1 38 ILE MD 1 85 TYR QD 3.500 . 3.500 2.429 2.055 2.737 . 0 0 "[ . 1 . 2 ]" 1 87 1 38 ILE MD 1 85 TYR QE 3.500 . 3.500 3.456 3.290 3.496 . 0 0 "[ . 1 . 2 ]" 1 88 1 39 MET HA 1 95 VAL QG 4.500 . 5.000 3.932 3.652 4.141 . 0 0 "[ . 1 . 2 ]" 1 89 1 39 MET ME 1 57 ARG QD 3.500 . 4.500 3.317 2.758 3.679 . 0 0 "[ . 1 . 2 ]" 1 90 1 40 VAL QG 1 60 VAL QG 4.500 . 4.500 2.221 2.017 2.494 . 0 0 "[ . 1 . 2 ]" 1 91 1 40 VAL QG 1 82 VAL QG 4.500 . 4.500 2.180 1.894 2.360 . 0 0 "[ . 1 . 2 ]" 1 92 1 40 VAL QG 1 96 ILE MD 4.500 . 4.500 2.435 2.318 2.586 . 0 0 "[ . 1 . 2 ]" 1 93 1 41 VAL MG1 1 46 TYR QD 5.500 . 6.500 4.301 3.934 4.527 . 0 0 "[ . 1 . 2 ]" 1 94 1 41 VAL MG2 1 46 TYR QD 3.500 . 3.500 2.253 2.033 2.490 . 0 0 "[ . 1 . 2 ]" 1 95 1 41 VAL MG1 1 49 PHE QD 5.500 4.000 7.500 4.637 4.237 5.151 . 0 0 "[ . 1 . 2 ]" 1 96 1 41 VAL MG2 1 49 PHE QD 5.500 . 5.500 3.868 3.474 4.416 . 0 0 "[ . 1 . 2 ]" 1 97 1 41 VAL QG 1 97 ALA MB 5.500 . 5.500 2.041 1.882 2.339 . 0 0 "[ . 1 . 2 ]" 1 98 1 43 ARG HA 1 68 TYR QE 5.500 . 5.500 4.148 3.518 4.815 . 0 0 "[ . 1 . 2 ]" 1 99 1 43 ARG H 1 61 VAL QG 5.500 . 5.500 3.555 3.314 3.771 . 0 0 "[ . 1 . 2 ]" 1 100 1 43 ARG QB 1 68 TYR QD 5.500 . 6.500 4.051 2.894 4.870 . 0 0 "[ . 1 . 2 ]" 1 101 1 43 ARG QB 1 68 TYR QE 5.500 . 6.500 4.040 2.648 5.208 . 0 0 "[ . 1 . 2 ]" 1 102 1 43 ARG QD 1 68 TYR QD 3.500 . 4.000 3.253 2.467 3.885 . 0 0 "[ . 1 . 2 ]" 1 103 1 43 ARG QD 1 68 TYR QE 4.500 . 4.500 4.056 2.741 4.470 . 0 0 "[ . 1 . 2 ]" 1 104 1 46 TYR QB 1 61 VAL MG1 4.500 . 4.500 2.762 2.356 3.017 . 0 0 "[ . 1 . 2 ]" 1 105 1 46 TYR QB 1 61 VAL MG2 3.500 . 3.500 2.846 2.596 3.209 . 0 0 "[ . 1 . 2 ]" 1 106 1 46 TYR QD 1 52 ARG QG 5.500 . 6.000 4.731 3.420 5.456 . 0 0 "[ . 1 . 2 ]" 1 107 1 46 TYR QD 1 59 ASN HB3 5.500 . 5.500 4.095 3.414 4.736 . 0 0 "[ . 1 . 2 ]" 1 108 1 46 TYR QD 1 61 VAL MG1 5.500 . 5.500 3.767 3.343 3.996 . 0 0 "[ . 1 . 2 ]" 1 109 1 46 TYR QD 1 61 VAL MG2 4.500 . 4.500 2.740 2.362 3.079 . 0 0 "[ . 1 . 2 ]" 1 110 1 46 TYR QD 1 68 TYR QE 4.500 . 4.500 3.085 2.478 3.760 . 0 0 "[ . 1 . 2 ]" 1 111 1 46 TYR QD 1 70 ALA HA 5.500 . 5.500 5.134 4.685 5.456 . 0 0 "[ . 1 . 2 ]" 1 112 1 46 TYR QE 1 70 ALA MB 4.500 . 4.500 2.686 2.019 3.454 . 0 0 "[ . 1 . 2 ]" 1 113 1 46 TYR QE 1 54 LEU H 5.500 . 6.000 3.867 3.409 4.182 . 0 0 "[ . 1 . 2 ]" 1 114 1 49 PHE QB 1 54 LEU MD2 5.500 . 5.500 3.028 2.590 3.524 . 0 0 "[ . 1 . 2 ]" 1 115 1 49 PHE QD 1 54 LEU HG 4.500 . 4.500 4.046 3.775 4.330 . 0 0 "[ . 1 . 2 ]" 1 116 1 49 PHE QD 1 54 LEU MD1 5.500 . 5.500 3.090 2.727 3.407 . 0 0 "[ . 1 . 2 ]" 1 117 1 49 PHE QD 1 54 LEU MD2 5.500 . 5.500 3.557 3.298 3.846 . 0 0 "[ . 1 . 2 ]" 1 118 1 49 PHE QE 1 54 LEU MD1 3.500 . 3.500 2.915 2.645 3.189 . 0 0 "[ . 1 . 2 ]" 1 119 1 49 PHE QE 1 54 LEU MD2 5.500 . 5.500 4.390 4.066 4.630 . 0 0 "[ . 1 . 2 ]" 1 120 1 53 PRO QB 1 59 ASN QD 4.500 . 4.500 3.627 2.769 4.321 . 0 0 "[ . 1 . 2 ]" 1 121 1 60 VAL MG2 1 85 TYR QD 5.500 . 5.500 4.138 3.618 4.639 . 0 0 "[ . 1 . 2 ]" 1 122 1 60 VAL MG2 1 85 TYR QE 5.500 . 6.000 4.545 4.120 5.024 . 0 0 "[ . 1 . 2 ]" 1 123 1 61 VAL HB 1 68 TYR QD 4.500 . 4.500 4.348 4.134 4.481 . 0 0 "[ . 1 . 2 ]" 1 124 1 61 VAL HB 1 68 TYR QE 5.500 . 5.500 4.482 3.853 4.888 . 0 0 "[ . 1 . 2 ]" 1 125 1 61 VAL HB 1 75 VAL QG 3.500 . 3.500 2.677 2.102 2.922 . 0 0 "[ . 1 . 2 ]" 1 126 1 61 VAL QG 1 68 TYR QD 5.500 . 5.500 3.130 2.634 3.432 . 0 0 "[ . 1 . 2 ]" 1 127 1 61 VAL MG1 1 68 TYR QE 4.500 . 4.500 2.912 2.416 3.592 . 0 0 "[ . 1 . 2 ]" 1 128 1 61 VAL MG2 1 68 TYR QE 4.500 . 4.500 3.271 2.882 3.565 . 0 0 "[ . 1 . 2 ]" 1 129 1 63 THR MG 1 68 TYR QD 4.500 . 4.500 3.328 2.643 3.941 . 0 0 "[ . 1 . 2 ]" 1 130 1 68 TYR QD 1 75 VAL HB 5.500 . 6.500 5.936 5.422 6.481 . 0 0 "[ . 1 . 2 ]" 1 131 1 68 TYR QD 1 75 VAL QG 4.500 . 4.500 3.051 2.635 3.454 . 0 0 "[ . 1 . 2 ]" 1 132 1 68 TYR QE 1 75 VAL QG 5.500 . 6.000 3.982 3.423 4.558 . 0 0 "[ . 1 . 2 ]" 1 133 1 70 ALA H 1 75 VAL QG 3.500 . 4.000 2.063 1.711 2.668 . 0 0 "[ . 1 . 2 ]" 1 134 1 70 ALA MB 1 75 VAL QG 4.500 . 4.500 2.103 1.851 2.412 . 0 0 "[ . 1 . 2 ]" 1 135 1 74 VAL QG 1 85 TYR QE 5.500 . 5.500 3.085 2.499 3.340 . 0 0 "[ . 1 . 2 ]" 1 136 1 79 VAL QG 1 105 ALA HA 5.500 . 5.500 3.967 3.461 4.466 . 0 0 "[ . 1 . 2 ]" 1 137 1 79 VAL QG 1 105 ALA MB 4.500 . 4.500 2.796 2.192 3.280 . 0 0 "[ . 1 . 2 ]" 1 138 1 79 VAL QG 1 106 PHE QD 5.500 . 5.500 3.027 2.834 3.315 . 0 0 "[ . 1 . 2 ]" 1 139 1 79 VAL QG 1 106 PHE QE 5.500 . 6.000 2.266 2.042 2.682 . 0 0 "[ . 1 . 2 ]" 1 140 1 79 VAL QG 1 106 PHE HZ 4.500 . 4.500 2.928 2.699 3.165 . 0 0 "[ . 1 . 2 ]" 1 141 1 82 VAL HB 1 106 PHE QD 5.500 . 6.500 4.993 4.776 5.245 . 0 0 "[ . 1 . 2 ]" 1 142 1 82 VAL HB 1 106 PHE QE 3.500 . 3.500 2.762 2.467 3.018 . 0 0 "[ . 1 . 2 ]" 1 143 1 82 VAL MG2 1 106 PHE QE 5.500 . 5.500 3.170 2.905 3.477 . 0 0 "[ . 1 . 2 ]" 1 144 1 86 ALA H 1 94 LEU QD 5.500 . 5.500 4.259 4.021 4.651 . 0 0 "[ . 1 . 2 ]" 1 145 1 86 ALA MB 1 94 LEU QD 3.500 . 3.500 2.551 2.293 2.965 . 0 0 "[ . 1 . 2 ]" 1 146 1 96 ILE HB 1 103 PHE QD 4.500 . 4.500 2.877 2.732 3.075 . 0 0 "[ . 1 . 2 ]" 1 147 1 96 ILE HB 1 103 PHE QE 5.500 . 5.500 2.286 1.999 2.504 . 0 0 "[ . 1 . 2 ]" 1 148 1 96 ILE QG 1 103 PHE QE 5.500 . 5.500 4.101 3.828 4.274 . 0 0 "[ . 1 . 2 ]" 1 149 1 96 ILE QG 1 106 PHE QD 5.500 . 6.000 3.592 3.009 4.024 . 0 0 "[ . 1 . 2 ]" 1 150 1 96 ILE MG 1 103 PHE QD 3.500 . 4.000 2.199 1.951 2.563 . 0 0 "[ . 1 . 2 ]" 1 151 1 96 ILE MG 1 103 PHE QE 3.500 . 3.500 2.388 2.299 2.551 . 0 0 "[ . 1 . 2 ]" 1 152 1 96 ILE MG 1 106 PHE QD 4.500 . 4.500 3.493 2.991 3.946 . 0 0 "[ . 1 . 2 ]" 1 153 1 96 ILE MD 1 106 PHE QD 4.500 . 4.500 2.799 2.350 3.129 . 0 0 "[ . 1 . 2 ]" 1 154 1 96 ILE MD 1 106 PHE QE 4.500 . 4.500 3.441 2.981 3.798 . 0 0 "[ . 1 . 2 ]" 1 155 1 98 GLY H 1 103 PHE QE 5.500 . 5.500 4.026 3.905 4.152 . 0 0 "[ . 1 . 2 ]" 1 156 1 98 GLY QA 1 103 PHE QE 4.500 . 4.500 2.466 2.339 2.590 . 0 0 "[ . 1 . 2 ]" 1 157 1 103 PHE QD 1 128 MET ME 3.500 . 4.000 2.780 2.268 3.135 . 0 0 "[ . 1 . 2 ]" 1 158 1 103 PHE QD 1 129 ILE MD 5.500 . 5.500 4.102 3.907 4.396 . 0 0 "[ . 1 . 2 ]" 1 159 1 103 PHE QE 1 128 MET ME 4.500 . 5.000 3.554 3.151 3.961 . 0 0 "[ . 1 . 2 ]" 1 160 1 110 VAL QG 1 131 LEU MD2 5.500 . 5.500 3.479 3.265 3.584 . 0 0 "[ . 1 . 2 ]" 1 161 1 111 ASP HA 1 136 PHE QD 5.500 . 5.500 4.976 4.416 5.300 . 0 0 "[ . 1 . 2 ]" 1 162 1 111 ASP HA 1 136 PHE QE 4.500 . 4.500 3.045 2.727 3.374 . 0 0 "[ . 1 . 2 ]" 1 163 1 112 THR HA 1 159 GLN QG 4.500 . 4.500 3.300 2.694 3.975 . 0 0 "[ . 1 . 2 ]" 1 164 1 113 LEU H 1 136 PHE QD 5.500 . 5.500 5.042 4.317 5.488 . 0 0 "[ . 1 . 2 ]" 1 165 1 113 LEU H 1 136 PHE QE 5.500 . 6.000 5.253 4.283 5.835 . 0 0 "[ . 1 . 2 ]" 1 166 1 113 LEU HG 1 136 PHE QD 5.500 . 5.500 4.431 4.182 4.795 . 0 0 "[ . 1 . 2 ]" 1 167 1 113 LEU MD1 1 136 PHE QD 4.500 . 4.500 2.690 2.644 2.767 . 0 0 "[ . 1 . 2 ]" 1 168 1 113 LEU MD1 1 136 PHE QE 5.500 . 5.500 2.564 2.428 2.734 . 0 0 "[ . 1 . 2 ]" 1 169 1 113 LEU MD2 1 136 PHE QD 5.500 . 6.500 4.757 4.663 4.838 . 0 0 "[ . 1 . 2 ]" 1 170 1 113 LEU MD2 1 136 PHE QE 5.500 . 5.500 4.046 3.861 4.255 . 0 0 "[ . 1 . 2 ]" 1 171 1 115 VAL MG1 1 158 TRP HE1 3.500 . 3.500 3.453 3.188 3.501 0.001 22 0 "[ . 1 . 2 ]" 1 172 1 115 VAL QG 1 156 GLU QB 4.500 . 4.500 1.901 1.840 2.088 . 0 0 "[ . 1 . 2 ]" 1 173 1 115 VAL QG 1 156 GLU H 5.500 . 5.500 2.997 2.811 3.171 . 0 0 "[ . 1 . 2 ]" 1 174 1 116 THR HA 1 155 TYR QD 4.500 . 4.500 3.768 3.380 4.166 . 0 0 "[ . 1 . 2 ]" 1 175 1 116 THR HG1 1 155 TYR QD 5.500 . 5.500 3.143 2.423 3.811 . 0 0 "[ . 1 . 2 ]" 1 176 1 116 THR HG1 1 155 TYR QE 4.500 . 4.500 2.852 1.908 4.064 . 0 0 "[ . 1 . 2 ]" 1 177 1 116 THR MG 1 155 TYR QE 4.500 . 4.500 2.641 2.229 3.056 . 0 0 "[ . 1 . 2 ]" 1 178 1 116 THR MG 1 155 TYR QD 3.500 . 3.500 3.184 2.738 3.472 . 0 0 "[ . 1 . 2 ]" 1 179 1 120 GLY QA 1 150 ALA MB 3.500 . 3.500 2.016 1.848 2.241 . 0 0 "[ . 1 . 2 ]" 1 180 1 122 PHE QE 1 150 ALA MB 5.500 . 5.500 3.603 3.428 3.772 . 0 0 "[ . 1 . 2 ]" 1 181 1 122 PHE QE 1 151 LEU MD2 5.500 . 5.500 4.214 3.974 4.471 . 0 0 "[ . 1 . 2 ]" 1 182 1 136 PHE QD 1 158 TRP HB3 4.500 . 4.500 3.608 3.070 3.919 . 0 0 "[ . 1 . 2 ]" 1 183 1 136 PHE QD 1 159 GLN HA 4.500 . 5.000 3.581 3.224 3.818 . 0 0 "[ . 1 . 2 ]" 1 184 1 136 PHE QD 1 160 LYS H 4.500 . 4.500 3.185 3.011 3.445 . 0 0 "[ . 1 . 2 ]" 1 185 1 136 PHE QE 1 160 LYS H 5.500 . 5.500 3.300 2.931 3.599 . 0 0 "[ . 1 . 2 ]" 1 186 1 136 PHE QE 1 160 LYS HB2 4.500 . 4.500 2.158 1.997 2.579 . 0 0 "[ . 1 . 2 ]" 1 187 1 139 VAL QG 1 158 TRP HA 5.500 . 5.500 2.899 2.633 3.159 . 0 0 "[ . 1 . 2 ]" 1 188 1 139 VAL QG 1 159 GLN H 5.500 . 5.500 3.258 2.881 3.452 . 0 0 "[ . 1 . 2 ]" 1 189 1 142 ARG QB 1 155 TYR QD 4.500 . 4.500 2.529 2.009 2.886 . 0 0 "[ . 1 . 2 ]" 1 190 1 142 ARG HG3 1 155 TYR QD 5.500 . 5.500 4.482 3.696 5.344 . 0 0 "[ . 1 . 2 ]" 1 191 1 142 ARG HG2 1 155 TYR QD 4.500 . 4.500 3.827 3.538 4.487 . 0 0 "[ . 1 . 2 ]" 1 192 1 144 VAL MG1 1 155 TYR QD 5.500 . 5.500 3.236 2.988 3.447 . 0 0 "[ . 1 . 2 ]" 1 193 1 144 VAL MG1 1 155 TYR QE 3.500 . 3.500 2.195 1.986 2.568 . 0 0 "[ . 1 . 2 ]" 1 194 1 2 ALA H 1 95 VAL HA 3.500 . 3.500 2.801 2.496 3.148 . 0 0 "[ . 1 . 2 ]" 1 195 1 2 ALA HA 1 111 ASP H 4.500 . 4.500 3.876 3.551 4.276 . 0 0 "[ . 1 . 2 ]" 1 196 1 2 ALA HA 1 112 THR H 3.500 . 3.500 2.897 2.653 3.228 . 0 0 "[ . 1 . 2 ]" 1 197 1 2 ALA HA 1 114 LEU H 5.500 . 5.500 5.236 5.013 5.505 0.005 18 0 "[ . 1 . 2 ]" 1 198 1 3 PHE HA 1 96 ILE H 3.500 . 3.500 3.020 2.665 3.438 . 0 0 "[ . 1 . 2 ]" 1 199 1 3 PHE H 1 113 LEU HA 3.500 . 3.500 3.337 3.080 3.506 0.006 16 0 "[ . 1 . 2 ]" 1 200 1 4 LEU HA 1 114 LEU H 3.500 . 3.500 3.385 3.139 3.503 0.003 17 0 "[ . 1 . 2 ]" 1 201 1 5 TRP H 1 115 VAL HA 3.500 . 3.500 3.038 2.867 3.185 . 0 0 "[ . 1 . 2 ]" 1 202 1 6 ALA HA 1 116 THR H 2.500 . 3.000 2.932 2.690 3.009 0.009 18 0 "[ . 1 . 2 ]" 1 203 1 7 GLN H 1 117 ARG HA 4.500 . 4.500 4.111 4.010 4.240 . 0 0 "[ . 1 . 2 ]" 1 204 1 8 ASP H 1 13 ILE HA 4.500 . 4.500 3.903 3.624 4.081 . 0 0 "[ . 1 . 2 ]" 1 205 1 9 ARG H 1 121 SER HA 4.500 . 4.500 4.374 4.097 4.502 0.002 19 0 "[ . 1 . 2 ]" 1 206 1 12 LEU HA 1 128 MET H 4.500 . 4.500 3.879 3.378 4.045 . 0 0 "[ . 1 . 2 ]" 1 207 1 13 ILE H 1 127 LYS HA 3.500 . 3.500 3.400 3.062 3.501 0.001 11 0 "[ . 1 . 2 ]" 1 208 1 14 GLY H 1 124 GLY QA 5.500 . 6.500 4.733 4.418 5.140 . 0 0 "[ . 1 . 2 ]" 1 209 1 14 GLY H 1 127 LYS HA 4.500 . 5.000 4.697 4.559 4.809 . 0 0 "[ . 1 . 2 ]" 1 210 1 15 LYS HA 1 125 ASP H 3.500 . 3.500 3.158 2.990 3.382 . 0 0 "[ . 1 . 2 ]" 1 211 1 36 GLY H 1 57 ARG HA 3.500 . 3.500 3.257 2.898 3.495 . 0 0 "[ . 1 . 2 ]" 1 212 1 37 LYS HA 1 93 GLU H 3.500 . 3.500 2.402 1.960 3.076 . 0 0 "[ . 1 . 2 ]" 1 213 1 38 ILE H 1 94 LEU HA 4.500 . 4.500 3.624 3.235 4.107 . 0 0 "[ . 1 . 2 ]" 1 214 1 39 MET H 1 59 ASN HA 3.500 . 4.500 4.195 3.863 4.486 . 0 0 "[ . 1 . 2 ]" 1 215 1 40 VAL HA 1 60 VAL H 3.500 . 3.500 2.963 2.576 3.489 . 0 0 "[ . 1 . 2 ]" 1 216 1 41 VAL H 1 61 VAL HA 3.500 . 3.500 3.252 3.100 3.359 . 0 0 "[ . 1 . 2 ]" 1 217 1 41 VAL HA 1 98 GLY H 4.500 . 4.500 2.968 2.760 3.183 . 0 0 "[ . 1 . 2 ]" 1 218 1 41 VAL HA 1 99 GLY H 5.500 . 5.500 4.290 4.155 4.637 . 0 0 "[ . 1 . 2 ]" 1 219 1 42 GLY QA 1 99 GLY H 3.500 . 4.500 2.733 2.379 3.157 . 0 0 "[ . 1 . 2 ]" 1 220 1 59 ASN H 1 73 ALA HA 4.500 . 4.500 3.692 3.465 4.151 . 0 0 "[ . 1 . 2 ]" 1 221 1 62 LEU HA 1 76 VAL H 3.500 . 4.000 3.737 3.475 3.962 . 0 0 "[ . 1 . 2 ]" 1 222 1 39 MET HA 1 95 VAL H 4.500 . 4.500 4.065 3.705 4.402 . 0 0 "[ . 1 . 2 ]" 1 223 1 98 GLY QA 1 103 PHE H 5.500 . 5.500 3.929 3.765 4.042 . 0 0 "[ . 1 . 2 ]" 1 224 1 112 THR HA 1 158 TRP H 5.500 . 5.500 4.796 4.323 5.164 . 0 0 "[ . 1 . 2 ]" 1 225 1 113 LEU H 1 159 GLN HA 4.500 . 4.500 3.795 3.511 4.063 . 0 0 "[ . 1 . 2 ]" 1 226 1 115 VAL H 1 157 VAL HA 4.500 . 4.500 4.135 3.985 4.294 . 0 0 "[ . 1 . 2 ]" 1 227 1 116 THR HA 1 154 THR H 5.500 . 5.500 4.090 3.933 4.199 . 0 0 "[ . 1 . 2 ]" 1 228 1 116 THR HA 1 156 GLU H 3.500 . 4.000 3.521 3.267 3.717 . 0 0 "[ . 1 . 2 ]" 1 229 1 117 ARG H 1 155 TYR HA 4.500 . 4.500 4.085 4.019 4.184 . 0 0 "[ . 1 . 2 ]" 1 230 1 119 ALA H 1 151 LEU HA 5.500 . 5.500 5.216 4.974 5.395 . 0 0 "[ . 1 . 2 ]" 1 231 1 119 ALA H 1 153 HIS HA 4.500 . 4.500 3.133 2.979 3.274 . 0 0 "[ . 1 . 2 ]" 1 232 1 120 GLY H 1 150 ALA HA 3.500 . 3.500 3.013 2.741 3.320 . 0 0 "[ . 1 . 2 ]" 1 233 1 120 GLY H 1 151 LEU HA 4.500 . 4.500 4.392 4.135 4.502 0.002 10 0 "[ . 1 . 2 ]" 1 234 1 121 SER H 1 150 ALA HA 5.500 . 5.500 4.899 4.717 5.194 . 0 0 "[ . 1 . 2 ]" 1 235 1 139 VAL H 1 158 TRP HA 3.500 . 3.500 3.093 2.744 3.459 . 0 0 "[ . 1 . 2 ]" 1 236 1 136 PHE HA 1 159 GLN H 5.500 . 5.500 4.437 4.204 4.723 . 0 0 "[ . 1 . 2 ]" 1 237 1 136 PHE HA 1 161 LYS H 3.500 . 3.500 3.069 2.475 3.469 . 0 0 "[ . 1 . 2 ]" 1 238 1 136 PHE H 1 160 LYS HA 4.500 . 5.500 5.476 5.314 5.504 0.004 5 0 "[ . 1 . 2 ]" 1 239 1 137 THR H 1 158 TRP HA 4.500 . 4.500 4.134 3.897 4.399 . 0 0 "[ . 1 . 2 ]" 1 240 1 137 THR H 1 160 LYS HA 4.500 . 4.500 4.114 3.802 4.389 . 0 0 "[ . 1 . 2 ]" 1 241 1 138 LYS HA 1 158 TRP H 5.500 . 5.500 4.738 4.498 5.077 . 0 0 "[ . 1 . 2 ]" 1 242 1 138 LYS HA 1 159 GLN H 4.500 . 4.500 3.923 3.622 4.169 . 0 0 "[ . 1 . 2 ]" 1 243 1 138 LYS H 1 158 TRP HA 5.500 . 5.500 4.589 4.372 4.882 . 0 0 "[ . 1 . 2 ]" 1 244 1 140 SER H 1 158 TRP HA 5.500 . 5.500 4.475 4.282 4.581 . 0 0 "[ . 1 . 2 ]" 1 245 1 143 THR H 1 154 THR HA 5.500 . 5.500 5.034 4.884 5.130 . 0 0 "[ . 1 . 2 ]" 1 246 1 144 VAL H 1 154 THR HA 3.500 . 3.500 3.158 3.042 3.297 . 0 0 "[ . 1 . 2 ]" 1 247 1 145 GLU HA 1 153 HIS H 4.500 . 4.500 3.643 3.397 3.740 . 0 0 "[ . 1 . 2 ]" 1 248 1 146 ASP H 1 152 THR HA 4.500 . 4.500 2.490 2.216 2.649 . 0 0 "[ . 1 . 2 ]" 1 249 1 2 ALA H 1 96 ILE H 3.500 . 4.000 3.551 3.107 3.935 . 0 0 "[ . 1 . 2 ]" 1 250 1 3 PHE H 1 112 THR H 5.500 . 5.500 3.822 3.494 4.077 . 0 0 "[ . 1 . 2 ]" 1 251 1 3 PHE H 1 114 LEU H 5.500 . 5.500 3.737 3.479 4.042 . 0 0 "[ . 1 . 2 ]" 1 252 1 4 LEU H 1 96 ILE H 5.500 . 5.500 4.161 3.984 4.274 . 0 0 "[ . 1 . 2 ]" 1 253 1 4 LEU H 1 97 ALA H 5.500 . 6.500 5.497 5.278 5.567 . 0 0 "[ . 1 . 2 ]" 1 254 1 4 LEU H 1 114 LEU H 5.500 . 5.500 4.778 4.503 4.975 . 0 0 "[ . 1 . 2 ]" 1 255 1 5 TRP H 1 116 THR H 5.500 . 5.500 4.132 3.919 4.264 . 0 0 "[ . 1 . 2 ]" 1 256 1 7 GLN H 1 116 THR H 4.500 . 4.500 3.046 2.968 3.113 . 0 0 "[ . 1 . 2 ]" 1 257 1 9 ARG H 1 118 LEU H 5.500 . 5.500 3.091 2.909 3.430 . 0 0 "[ . 1 . 2 ]" 1 258 1 9 ARG H 1 122 PHE H 5.500 . 5.500 5.353 5.077 5.488 . 0 0 "[ . 1 . 2 ]" 1 259 1 12 LEU HA 1 127 LYS H 5.500 . 5.500 5.162 5.036 5.246 . 0 0 "[ . 1 . 2 ]" 1 260 1 13 ILE H 1 126 THR H 5.500 . 6.500 4.719 4.418 5.003 . 0 0 "[ . 1 . 2 ]" 1 261 1 13 ILE H 1 127 LYS H 5.500 . 5.500 5.365 5.067 5.504 0.004 2 0 "[ . 1 . 2 ]" 1 262 1 14 GLY H 1 125 ASP H 5.500 . 5.500 4.668 4.450 4.897 . 0 0 "[ . 1 . 2 ]" 1 263 1 14 GLY H 1 126 THR H 4.500 . 4.500 4.148 4.017 4.296 . 0 0 "[ . 1 . 2 ]" 1 264 1 15 LYS H 1 125 ASP H 5.500 . 5.500 5.476 5.363 5.502 0.002 9 0 "[ . 1 . 2 ]" 1 265 1 16 ASP H 1 125 ASP H 4.500 . 5.000 4.781 4.549 5.000 0.000 12 0 "[ . 1 . 2 ]" 1 266 1 36 GLY H 1 58 THR H 5.500 . 5.500 5.142 4.639 5.475 . 0 0 "[ . 1 . 2 ]" 1 267 1 38 ILE H 1 95 VAL H 4.500 . 4.500 4.188 3.356 4.499 . 0 0 "[ . 1 . 2 ]" 1 268 1 39 MET H 1 58 THR H 4.500 . 4.500 2.924 2.394 3.551 . 0 0 "[ . 1 . 2 ]" 1 269 1 39 MET H 1 60 VAL H 5.500 . 5.500 4.432 4.040 4.957 . 0 0 "[ . 1 . 2 ]" 1 270 1 40 VAL H 1 95 VAL H 4.500 . 4.500 3.742 3.355 4.237 . 0 0 "[ . 1 . 2 ]" 1 271 1 41 VAL H 1 62 LEU H 4.500 . 4.500 4.175 3.927 4.391 . 0 0 "[ . 1 . 2 ]" 1 272 1 42 GLY H 1 99 GLY H 3.500 . 3.500 2.809 2.631 3.244 . 0 0 "[ . 1 . 2 ]" 1 273 1 63 THR H 1 76 VAL H 5.500 . 5.500 4.600 4.134 4.797 . 0 0 "[ . 1 . 2 ]" 1 274 1 112 THR H 1 160 LYS H 5.500 . 6.000 5.044 4.812 5.361 . 0 0 "[ . 1 . 2 ]" 1 275 1 113 LEU H 1 158 TRP H 3.500 . 3.500 3.084 2.818 3.347 . 0 0 "[ . 1 . 2 ]" 1 276 1 113 LEU H 1 160 LYS H 5.500 . 5.500 5.356 4.938 5.502 0.002 8 0 "[ . 1 . 2 ]" 1 277 1 115 VAL H 1 156 GLU H 5.500 . 5.500 3.622 3.462 3.794 . 0 0 "[ . 1 . 2 ]" 1 278 1 117 ARG H 1 154 THR H 3.500 . 3.500 3.056 2.966 3.163 . 0 0 "[ . 1 . 2 ]" 1 279 1 119 ALA H 1 152 THR H 5.500 . 5.500 3.695 3.488 4.120 . 0 0 "[ . 1 . 2 ]" 1 280 1 119 ALA H 1 153 HIS H 5.500 . 5.500 4.619 4.534 4.789 . 0 0 "[ . 1 . 2 ]" 1 281 1 120 GLY H 1 151 LEU H 5.500 . 5.500 5.068 4.875 5.202 . 0 0 "[ . 1 . 2 ]" 1 282 1 137 THR H 1 159 GLN H 3.500 . 3.500 2.461 2.228 2.773 . 0 0 "[ . 1 . 2 ]" 1 283 1 137 THR H 1 161 LYS H 5.500 . 5.500 4.254 3.786 4.969 . 0 0 "[ . 1 . 2 ]" 1 284 1 139 VAL H 1 157 VAL H 5.500 . 5.500 4.439 4.031 4.881 . 0 0 "[ . 1 . 2 ]" 1 285 1 139 VAL H 1 159 GLN H 5.500 . 5.500 4.691 4.074 5.259 . 0 0 "[ . 1 . 2 ]" 1 286 1 142 ARG H 1 155 TYR H 4.500 . 4.500 3.430 3.122 3.715 . 0 0 "[ . 1 . 2 ]" 1 287 1 144 VAL H 1 153 HIS H 4.500 . 4.500 3.852 3.745 3.969 . 0 0 "[ . 1 . 2 ]" 1 288 1 146 ASP H 1 152 THR H 5.500 . 5.500 4.483 4.190 4.648 . 0 0 "[ . 1 . 2 ]" 1 289 1 1 THR HB 1 111 ASP H 4.500 . 4.500 3.076 2.696 3.507 . 0 0 "[ . 1 . 2 ]" 1 290 1 2 ALA H 1 112 THR HB 5.500 . 6.000 5.382 4.992 5.606 . 0 0 "[ . 1 . 2 ]" 1 291 1 3 PHE H 1 112 THR HB 4.500 . 4.500 3.387 3.016 3.856 . 0 0 "[ . 1 . 2 ]" 1 292 1 3 PHE HB3 1 114 LEU H 5.500 . 5.500 3.893 3.452 4.149 . 0 0 "[ . 1 . 2 ]" 1 293 1 3 PHE HB2 1 114 LEU H 4.500 . 4.500 3.403 3.233 3.637 . 0 0 "[ . 1 . 2 ]" 1 294 1 4 LEU H 1 96 ILE HB 4.500 . 5.000 3.559 3.374 3.815 . 0 0 "[ . 1 . 2 ]" 1 295 1 5 TRP H 1 114 LEU HB3 5.500 . 5.500 4.947 4.861 5.059 . 0 0 "[ . 1 . 2 ]" 1 296 1 5 TRP H 1 114 LEU HB2 4.500 . 4.500 4.318 4.150 4.440 . 0 0 "[ . 1 . 2 ]" 1 297 1 7 GLN H 1 116 THR HB 3.500 . 3.500 3.179 3.057 3.297 . 0 0 "[ . 1 . 2 ]" 1 298 1 13 ILE H 1 126 THR HB 4.500 . 4.500 3.951 3.578 4.315 . 0 0 "[ . 1 . 2 ]" 1 299 1 15 LYS HB3 1 125 ASP H 5.500 . 5.500 4.935 4.255 5.278 . 0 0 "[ . 1 . 2 ]" 1 300 1 15 LYS HB2 1 125 ASP H 4.000 . 4.000 3.441 2.586 3.889 . 0 0 "[ . 1 . 2 ]" 1 301 1 36 GLY H 1 56 GLU HB3 5.500 . 5.500 4.849 3.925 5.495 . 0 0 "[ . 1 . 2 ]" 1 302 1 38 ILE H 1 93 GLU QB 4.500 . 5.500 4.209 3.863 4.585 . 0 0 "[ . 1 . 2 ]" 1 303 1 41 VAL HB 1 46 TYR H 4.500 . 4.500 3.920 3.730 4.125 . 0 0 "[ . 1 . 2 ]" 1 304 1 43 ARG H 1 63 THR HB 4.500 . 4.500 4.424 3.987 4.501 0.001 20 0 "[ . 1 . 2 ]" 1 305 1 59 ASN H 1 73 ALA MB 4.500 . 5.500 4.218 3.951 4.466 . 0 0 "[ . 1 . 2 ]" 1 306 1 61 VAL HB 1 76 VAL H 5.500 . 5.500 3.862 3.628 4.243 . 0 0 "[ . 1 . 2 ]" 1 307 1 111 ASP QB 1 160 LYS H 4.500 . 4.500 3.831 3.753 4.054 . 0 0 "[ . 1 . 2 ]" 1 308 1 113 LEU HB3 1 158 TRP H 5.500 . 5.500 4.357 3.991 4.604 . 0 0 "[ . 1 . 2 ]" 1 309 1 113 LEU HB2 1 158 TRP H 5.500 . 5.500 3.378 3.238 3.483 . 0 0 "[ . 1 . 2 ]" 1 310 1 113 LEU H 1 158 TRP HB3 5.500 . 5.500 4.497 3.972 4.809 . 0 0 "[ . 1 . 2 ]" 1 311 1 113 LEU H 1 158 TRP HB2 4.500 . 4.500 3.224 2.795 3.510 . 0 0 "[ . 1 . 2 ]" 1 312 1 117 ARG QB 1 154 THR H 5.500 . 5.500 3.191 3.088 3.312 . 0 0 "[ . 1 . 2 ]" 1 313 1 119 ALA MB 1 152 THR H 5.500 . 5.500 2.900 2.654 3.249 . 0 0 "[ . 1 . 2 ]" 1 314 1 119 ALA H 1 153 HIS QB 5.500 . 5.500 3.614 3.434 3.887 . 0 0 "[ . 1 . 2 ]" 1 315 1 121 SER H 1 150 ALA MB 4.500 . 5.500 3.970 3.672 4.179 . 0 0 "[ . 1 . 2 ]" 1 316 1 136 PHE QB 1 159 GLN H 5.500 . 5.500 3.373 3.117 3.823 . 0 0 "[ . 1 . 2 ]" 1 317 1 137 THR HB 1 159 GLN H 4.500 . 4.500 3.955 3.714 4.320 . 0 0 "[ . 1 . 2 ]" 1 318 1 137 THR H 1 159 GLN QB 6.000 . 6.000 4.262 4.139 4.484 . 0 0 "[ . 1 . 2 ]" 1 319 1 140 SER H 1 157 VAL HB 4.500 . 4.500 2.977 2.594 3.352 . 0 0 "[ . 1 . 2 ]" 1 320 1 144 VAL HB 1 153 HIS H 5.500 . 6.000 5.773 5.675 5.953 . 0 0 "[ . 1 . 2 ]" 1 321 1 146 ASP HB3 1 152 THR H 5.500 . 5.500 4.661 4.146 5.076 . 0 0 "[ . 1 . 2 ]" 1 322 1 146 ASP HB2 1 152 THR H 4.500 . 5.000 4.891 4.548 5.004 0.004 13 0 "[ . 1 . 2 ]" 1 323 1 146 ASP H 1 152 THR HB 5.500 . 5.500 4.900 3.962 5.164 . 0 0 "[ . 1 . 2 ]" 1 324 1 2 ALA HA 1 112 THR HA 5.500 . 5.500 4.882 4.730 5.032 . 0 0 "[ . 1 . 2 ]" 1 325 1 6 ALA HA 1 115 VAL HA 5.500 . 5.500 4.624 4.307 4.750 . 0 0 "[ . 1 . 2 ]" 1 326 1 7 GLN HA 1 13 ILE HA 2.500 . 3.000 2.233 1.997 2.408 . 0 0 "[ . 1 . 2 ]" 1 327 1 8 ASP HA 1 121 SER HA 5.500 . 6.000 5.682 5.417 5.869 . 0 0 "[ . 1 . 2 ]" 1 328 1 12 LEU HA 1 127 LYS HA 3.500 . 3.500 2.408 2.310 2.513 . 0 0 "[ . 1 . 2 ]" 1 329 1 15 LYS HA 1 124 GLY QA 4.500 . 5.500 3.651 3.427 4.172 . 0 0 "[ . 1 . 2 ]" 1 330 1 35 VAL HA 1 57 ARG HA 5.500 . 5.500 3.857 3.176 4.242 . 0 0 "[ . 1 . 2 ]" 1 331 1 64 HIS HA 1 77 HIS HA 4.500 . 4.500 3.980 3.656 4.379 . 0 0 "[ . 1 . 2 ]" 1 332 1 41 VAL HA 1 98 GLY QA 5.500 . 5.500 4.280 4.110 4.524 . 0 0 "[ . 1 . 2 ]" 1 333 1 41 VAL HA 1 45 THR HA 10.000 5.500 10.000 6.889 6.563 7.229 . 0 0 "[ . 1 . 2 ]" 1 334 1 114 LEU HA 1 157 VAL HA 3.500 . 3.500 2.872 2.768 2.989 . 0 0 "[ . 1 . 2 ]" 1 335 1 116 THR HA 1 155 TYR HA 3.500 . 3.500 2.765 2.632 2.862 . 0 0 "[ . 1 . 2 ]" 1 336 1 118 LEU HA 1 153 HIS HA 3.500 . 3.500 2.456 2.294 2.627 . 0 0 "[ . 1 . 2 ]" 1 337 1 136 PHE HA 1 160 LYS HA 3.500 . 3.500 2.732 2.576 2.926 . 0 0 "[ . 1 . 2 ]" 1 338 1 138 LYS HA 1 158 TRP HA 2.500 . 2.500 2.241 2.042 2.486 . 0 0 "[ . 1 . 2 ]" 1 339 1 143 THR HA 1 154 THR HA 2.500 . 2.500 2.431 2.283 2.501 0.001 14 0 "[ . 1 . 2 ]" 1 340 1 145 GLU HA 1 152 THR HA 3.500 . 3.500 2.832 2.556 2.987 . 0 0 "[ . 1 . 2 ]" 1 341 1 1 THR HA 1 94 LEU HB3 3.500 . 3.500 2.443 2.055 2.927 . 0 0 "[ . 1 . 2 ]" 1 342 1 1 THR HA 1 94 LEU HB2 4.500 . 4.500 3.996 3.512 4.397 . 0 0 "[ . 1 . 2 ]" 1 343 1 1 THR HB 1 110 VAL HA 2.500 . 3.000 2.110 1.997 2.310 . 0 0 "[ . 1 . 2 ]" 1 344 1 2 ALA MB 1 95 VAL HA 3.500 . 4.500 2.476 2.123 2.814 . 0 0 "[ . 1 . 2 ]" 1 345 1 2 ALA HA 1 112 THR HB 3.500 . 3.500 2.490 2.069 2.723 . 0 0 "[ . 1 . 2 ]" 1 346 1 3 PHE HA 1 96 ILE HB 3.500 . 3.500 2.548 2.279 2.845 . 0 0 "[ . 1 . 2 ]" 1 347 1 4 LEU HB3 1 97 ALA HA 3.500 . 3.500 3.488 3.424 3.506 0.006 15 0 "[ . 1 . 2 ]" 1 348 1 4 LEU HA 1 114 LEU HB3 4.500 . 4.500 3.680 3.571 3.813 . 0 0 "[ . 1 . 2 ]" 1 349 1 4 LEU HA 1 114 LEU HB2 2.500 . 3.000 2.481 2.311 2.632 . 0 0 "[ . 1 . 2 ]" 1 350 1 6 ALA HA 1 116 THR HB 2.500 . 2.500 2.198 2.047 2.358 . 0 0 "[ . 1 . 2 ]" 1 351 1 38 ILE HB 1 94 LEU HA 4.500 . 4.500 2.403 2.110 2.715 . 0 0 "[ . 1 . 2 ]" 1 352 1 39 MET HA 1 95 VAL HB 3.500 . 3.500 3.258 2.920 3.504 0.004 19 0 "[ . 1 . 2 ]" 1 353 1 59 ASN HB3 1 73 ALA HA 4.500 . 4.500 4.050 3.450 4.500 . 0 0 "[ . 1 . 2 ]" 1 354 1 59 ASN HB2 1 73 ALA HA 3.500 . 3.500 2.768 2.066 3.316 . 0 0 "[ . 1 . 2 ]" 1 355 1 61 VAL HB 1 75 VAL HA 3.500 . 3.500 2.700 2.545 2.946 . 0 0 "[ . 1 . 2 ]" 1 356 1 64 HIS HA 1 77 HIS QB 5.500 . 6.500 3.457 2.901 4.015 . 0 0 "[ . 1 . 2 ]" 1 357 1 111 ASP HA 1 160 LYS HB3 4.500 . 4.500 3.292 2.802 3.685 . 0 0 "[ . 1 . 2 ]" 1 358 1 111 ASP HA 1 160 LYS HB2 2.500 . 3.000 2.434 2.067 2.856 . 0 0 "[ . 1 . 2 ]" 1 359 1 118 LEU QB 1 153 HIS HA 4.500 . 5.500 4.657 4.516 4.800 . 0 0 "[ . 1 . 2 ]" 1 360 1 119 ALA MB 1 153 HIS HA 5.500 . 5.500 4.068 3.901 4.287 . 0 0 "[ . 1 . 2 ]" 1 361 1 1 THR MG 1 96 ILE MD 2.500 . 4.500 2.911 2.718 3.058 . 0 0 "[ . 1 . 2 ]" 1 362 1 1 THR MG 1 110 VAL HA 3.500 . 4.500 3.248 2.635 3.694 . 0 0 "[ . 1 . 2 ]" 1 363 1 2 ALA HA 1 110 VAL MG2 4.500 . 5.000 3.954 3.904 3.989 . 0 0 "[ . 1 . 2 ]" 1 364 1 2 ALA MB 1 112 THR HB 3.500 . 4.000 2.898 2.497 3.183 . 0 0 "[ . 1 . 2 ]" 1 365 1 3 PHE H 1 110 VAL MG2 3.500 . 4.500 3.186 2.631 3.642 . 0 0 "[ . 1 . 2 ]" 1 366 1 3 PHE HA 1 103 PHE HZ 5.500 . 5.500 5.171 4.680 5.508 0.008 19 0 "[ . 1 . 2 ]" 1 367 1 3 PHE HA 1 96 ILE QG 4.500 . 5.500 3.619 3.254 3.985 . 0 0 "[ . 1 . 2 ]" 1 368 1 3 PHE HA 1 96 ILE MG 4.500 . 5.500 4.095 3.930 4.278 . 0 0 "[ . 1 . 2 ]" 1 369 1 3 PHE HB3 1 113 LEU MD2 4.500 . 5.500 2.760 2.474 3.009 . 0 0 "[ . 1 . 2 ]" 1 370 1 3 PHE HB2 1 113 LEU MD2 3.500 . 4.500 2.090 1.982 2.315 . 0 0 "[ . 1 . 2 ]" 1 371 1 3 PHE HZ 1 106 PHE HB2 4.500 . 4.500 2.832 2.379 3.124 . 0 0 "[ . 1 . 2 ]" 1 372 1 3 PHE HZ 1 107 LYS HA 2.500 . 3.000 2.404 2.098 2.766 . 0 0 "[ . 1 . 2 ]" 1 373 1 3 PHE HZ 1 107 LYS QB 4.500 . 5.500 3.600 3.238 4.051 . 0 0 "[ . 1 . 2 ]" 1 374 1 3 PHE HZ 1 108 ASP H 5.500 . 6.000 4.836 4.659 5.038 . 0 0 "[ . 1 . 2 ]" 1 375 1 3 PHE HZ 1 109 ASP H 5.500 . 5.500 4.759 4.135 5.294 . 0 0 "[ . 1 . 2 ]" 1 376 1 3 PHE HZ 1 110 VAL HB 4.500 . 4.500 3.012 2.745 3.282 . 0 0 "[ . 1 . 2 ]" 1 377 1 3 PHE HZ 1 110 VAL MG1 4.500 . 5.500 4.313 4.142 4.483 . 0 0 "[ . 1 . 2 ]" 1 378 1 3 PHE HZ 1 129 ILE MD 5.500 . 6.500 5.296 5.005 5.374 . 0 0 "[ . 1 . 2 ]" 1 379 1 4 LEU HA 1 114 LEU MD1 4.500 . 5.500 3.966 3.764 4.110 . 0 0 "[ . 1 . 2 ]" 1 380 1 4 LEU MD1 1 97 ALA HA 5.500 . 7.000 5.862 5.774 5.884 . 0 0 "[ . 1 . 2 ]" 1 381 1 4 LEU MD2 1 97 ALA HA 4.500 . 5.500 4.227 3.993 4.369 . 0 0 "[ . 1 . 2 ]" 1 382 1 4 LEU MD1 1 114 LEU QB 2.500 . 4.500 1.677 1.663 1.695 . 0 0 "[ . 1 . 2 ]" 1 383 1 4 LEU H 1 103 PHE HZ 5.500 . 5.500 3.571 3.212 3.779 . 0 0 "[ . 1 . 2 ]" 1 384 1 5 TRP HA 1 103 PHE HZ 5.500 . 5.500 3.590 3.336 3.818 . 0 0 "[ . 1 . 2 ]" 1 385 1 5 TRP QB 1 103 PHE HZ 2.500 . 3.500 2.459 2.188 2.759 . 0 0 "[ . 1 . 2 ]" 1 386 1 5 TRP HD1 1 13 ILE MG 2.500 . 3.500 2.364 2.022 2.650 . 0 0 "[ . 1 . 2 ]" 1 387 1 5 TRP HD1 1 115 VAL MG2 4.500 . 5.500 3.829 3.417 3.970 . 0 0 "[ . 1 . 2 ]" 1 388 1 5 TRP HE1 1 13 ILE MG 4.500 . 5.500 3.931 3.635 4.141 . 0 0 "[ . 1 . 2 ]" 1 389 1 5 TRP HE1 1 115 VAL HB 5.500 . 5.500 3.987 3.587 4.127 . 0 0 "[ . 1 . 2 ]" 1 390 1 5 TRP HE1 1 115 VAL MG2 3.500 . 4.500 2.610 2.090 2.705 . 0 0 "[ . 1 . 2 ]" 1 391 1 5 TRP HE1 1 128 MET ME 5.500 . 7.000 3.582 3.156 4.112 . 0 0 "[ . 1 . 2 ]" 1 392 1 5 TRP HE1 1 128 MET QG 5.500 . 5.500 2.318 2.056 2.722 . 0 0 "[ . 1 . 2 ]" 1 393 1 5 TRP HE1 1 133 TRP HH2 5.500 . 5.500 5.291 5.133 5.418 . 0 0 "[ . 1 . 2 ]" 1 394 1 5 TRP HE3 1 114 LEU H 4.500 . 4.500 4.376 4.153 4.505 0.005 18 0 "[ . 1 . 2 ]" 1 395 1 5 TRP HE3 1 128 MET ME 5.500 . 5.500 4.151 3.327 4.364 . 0 0 "[ . 1 . 2 ]" 1 396 1 5 TRP HZ2 1 113 LEU MD1 5.500 . 6.500 5.058 4.906 5.198 . 0 0 "[ . 1 . 2 ]" 1 397 1 5 TRP HZ2 1 113 LEU MD2 5.500 . 6.000 3.835 3.583 4.179 . 0 0 "[ . 1 . 2 ]" 1 398 1 5 TRP HZ2 1 115 VAL HB 3.500 . 3.500 2.457 2.329 2.651 . 0 0 "[ . 1 . 2 ]" 1 399 1 5 TRP HZ2 1 115 VAL MG2 4.500 . 5.500 2.860 2.688 2.996 . 0 0 "[ . 1 . 2 ]" 1 400 1 5 TRP HZ2 1 128 MET ME 5.500 . 6.000 4.191 3.767 4.396 . 0 0 "[ . 1 . 2 ]" 1 401 1 5 TRP HZ2 1 131 LEU MD1 3.500 . 4.500 2.529 2.414 2.691 . 0 0 "[ . 1 . 2 ]" 1 402 1 5 TRP HZ2 1 133 TRP HZ2 3.500 . 3.500 2.289 2.001 2.625 . 0 0 "[ . 1 . 2 ]" 1 403 1 5 TRP HZ3 1 113 LEU HA 3.500 . 3.500 2.709 2.608 3.057 . 0 0 "[ . 1 . 2 ]" 1 404 1 5 TRP HZ3 1 113 LEU HB3 3.500 . 4.000 3.676 3.308 3.935 . 0 0 "[ . 1 . 2 ]" 1 405 1 5 TRP HZ3 1 113 LEU HB2 5.500 . 5.500 5.042 4.879 5.225 . 0 0 "[ . 1 . 2 ]" 1 406 1 5 TRP HZ3 1 113 LEU MD1 5.500 . 6.500 5.018 4.454 5.102 . 0 0 "[ . 1 . 2 ]" 1 407 1 5 TRP HZ3 1 113 LEU MD2 2.500 . 3.500 2.535 2.041 2.758 . 0 0 "[ . 1 . 2 ]" 1 408 1 5 TRP HZ3 1 114 LEU H 3.500 . 4.500 2.707 2.393 3.531 . 0 0 "[ . 1 . 2 ]" 1 409 1 5 TRP HZ3 1 128 MET ME 5.500 . 6.500 4.948 4.323 5.113 . 0 0 "[ . 1 . 2 ]" 1 410 1 5 TRP HH2 1 113 LEU HB3 2.500 . 2.500 2.200 1.996 2.482 . 0 0 "[ . 1 . 2 ]" 1 411 1 5 TRP HH2 1 113 LEU HB2 4.500 . 4.500 3.950 3.753 4.219 . 0 0 "[ . 1 . 2 ]" 1 412 1 5 TRP HH2 1 113 LEU MD2 3.500 . 4.500 2.137 1.934 2.345 . 0 0 "[ . 1 . 2 ]" 1 413 1 5 TRP HH2 1 115 VAL HB 4.500 . 4.500 3.073 2.942 3.410 . 0 0 "[ . 1 . 2 ]" 1 414 1 5 TRP HH2 1 115 VAL MG2 4.500 . 5.500 4.372 4.233 4.515 . 0 0 "[ . 1 . 2 ]" 1 415 1 5 TRP HH2 1 131 LEU MD1 2.500 . 3.500 2.882 2.314 2.955 . 0 0 "[ . 1 . 2 ]" 1 416 1 6 ALA HA 1 115 VAL MG2 5.500 . 6.500 4.288 3.899 4.502 . 0 0 "[ . 1 . 2 ]" 1 417 1 6 ALA HA 1 116 THR MG 4.500 . 5.500 3.831 3.693 4.020 . 0 0 "[ . 1 . 2 ]" 1 418 1 6 ALA HA 1 118 LEU MD1 6.500 . 6.500 4.425 4.273 4.561 . 0 0 "[ . 1 . 2 ]" 1 419 1 6 ALA MB 1 21 TRP HZ2 2.500 . 3.500 2.123 1.905 2.403 . 0 0 "[ . 1 . 2 ]" 1 420 1 6 ALA MB 1 116 THR HB 5.500 . 5.500 3.002 2.761 3.132 . 0 0 "[ . 1 . 2 ]" 1 421 1 6 ALA MB 1 116 THR MG 5.500 . 6.500 3.538 3.403 3.703 . 0 0 "[ . 1 . 2 ]" 1 422 1 6 ALA MB 1 118 LEU MD1 3.500 . 6.000 3.572 3.364 3.702 . 0 0 "[ . 1 . 2 ]" 1 423 1 7 GLN H 1 21 TRP HH2 5.500 . 5.500 4.508 3.865 4.751 . 0 0 "[ . 1 . 2 ]" 1 424 1 7 GLN H 1 21 TRP HZ2 4.500 . 4.500 4.347 4.169 4.498 . 0 0 "[ . 1 . 2 ]" 1 425 1 7 GLN H 1 118 LEU MD1 4.500 . 5.500 4.136 3.958 4.302 . 0 0 "[ . 1 . 2 ]" 1 426 1 7 GLN H 1 115 VAL MG2 5.500 . 5.500 3.377 3.175 3.521 . 0 0 "[ . 1 . 2 ]" 1 427 1 7 GLN H 1 116 THR MG 6.500 . 6.500 4.388 4.294 4.554 . 0 0 "[ . 1 . 2 ]" 1 428 1 7 GLN HA 1 13 ILE MG 3.500 . 4.500 3.281 3.147 3.519 . 0 0 "[ . 1 . 2 ]" 1 429 1 7 GLN HA 1 21 TRP HZ2 4.500 . 4.500 3.737 3.467 4.108 . 0 0 "[ . 1 . 2 ]" 1 430 1 7 GLN HA 1 21 TRP HH2 3.500 . 3.500 2.242 2.077 2.354 . 0 0 "[ . 1 . 2 ]" 1 431 1 7 GLN HA 1 21 TRP HZ3 5.500 . 5.500 4.126 3.786 4.340 . 0 0 "[ . 1 . 2 ]" 1 432 1 7 GLN QG 1 117 ARG HA 3.500 . 4.500 3.406 3.087 3.770 . 0 0 "[ . 1 . 2 ]" 1 433 1 7 GLN QE 1 117 ARG QG 3.500 . 5.500 2.998 1.930 4.116 . 0 0 "[ . 1 . 2 ]" 1 434 1 8 ASP H 1 21 TRP HZ2 5.500 . 6.500 5.044 4.826 5.263 . 0 0 "[ . 1 . 2 ]" 1 435 1 8 ASP H 1 21 TRP HZ3 4.500 . 4.500 3.459 2.938 3.780 . 0 0 "[ . 1 . 2 ]" 1 436 1 8 ASP H 1 21 TRP HH2 4.500 . 4.500 3.133 2.969 3.301 . 0 0 "[ . 1 . 2 ]" 1 437 1 8 ASP HA 1 118 LEU HB2 3.500 . 3.500 2.574 2.482 2.646 . 0 0 "[ . 1 . 2 ]" 1 438 1 8 ASP HA 1 118 LEU MD1 5.500 . 5.500 3.644 3.509 3.750 . 0 0 "[ . 1 . 2 ]" 1 439 1 8 ASP HA 1 118 LEU MD2 5.500 . 5.500 4.417 4.347 4.473 . 0 0 "[ . 1 . 2 ]" 1 440 1 8 ASP HB3 1 21 TRP HZ3 3.500 . 3.500 3.201 2.464 3.494 . 0 0 "[ . 1 . 2 ]" 1 441 1 8 ASP HB2 1 21 TRP HZ3 5.500 . 5.500 4.520 3.935 4.755 . 0 0 "[ . 1 . 2 ]" 1 442 1 9 ARG QG 1 121 SER H 5.500 . 5.500 4.752 4.489 4.897 . 0 0 "[ . 1 . 2 ]" 1 443 1 9 ARG QG 1 121 SER HA 3.500 . 4.500 3.104 2.878 3.352 . 0 0 "[ . 1 . 2 ]" 1 444 1 12 LEU H 1 127 LYS QG 6.500 . 6.500 5.056 4.705 5.426 . 0 0 "[ . 1 . 2 ]" 1 445 1 12 LEU QB 1 21 TRP HZ3 4.500 . 5.500 2.427 2.188 3.422 . 0 0 "[ . 1 . 2 ]" 1 446 1 12 LEU HG 1 126 THR H 4.500 . 4.500 4.226 3.841 4.492 . 0 0 "[ . 1 . 2 ]" 1 447 1 12 LEU MD1 1 124 GLY H 4.500 . 5.500 2.067 1.718 2.491 . 0 0 "[ . 1 . 2 ]" 1 448 1 12 LEU MD1 1 125 ASP H 4.500 . 5.500 2.620 2.153 3.053 . 0 0 "[ . 1 . 2 ]" 1 449 1 12 LEU MD1 1 126 THR H 4.500 . 5.500 3.255 2.717 3.632 . 0 0 "[ . 1 . 2 ]" 1 450 1 12 LEU MD2 1 21 TRP HZ3 3.500 . 4.500 2.372 2.146 3.064 . 0 0 "[ . 1 . 2 ]" 1 451 1 12 LEU MD2 1 21 TRP HE3 5.500 . 5.500 3.607 3.349 4.371 . 0 0 "[ . 1 . 2 ]" 1 452 1 12 LEU MD2 1 122 PHE QB 2.500 . 4.500 2.907 2.765 3.187 . 0 0 "[ . 1 . 2 ]" 1 453 1 12 LEU MD2 1 124 GLY H 4.500 . 5.500 2.654 2.346 2.997 . 0 0 "[ . 1 . 2 ]" 1 454 1 12 LEU MD2 1 126 THR H 6.500 . 6.500 4.363 4.133 4.705 . 0 0 "[ . 1 . 2 ]" 1 455 1 13 ILE HA 1 21 TRP HH2 3.500 . 4.000 2.706 2.439 3.236 . 0 0 "[ . 1 . 2 ]" 1 456 1 13 ILE HA 1 21 TRP HE3 5.500 . 7.000 6.749 6.530 6.851 . 0 0 "[ . 1 . 2 ]" 1 457 1 13 ILE HA 1 21 TRP HZ2 5.500 . 6.000 4.395 4.107 4.977 . 0 0 "[ . 1 . 2 ]" 1 458 1 13 ILE HA 1 21 TRP HZ3 5.500 . 5.500 4.520 4.221 4.641 . 0 0 "[ . 1 . 2 ]" 1 459 1 13 ILE QG 1 128 MET H 5.500 . 5.500 4.011 3.745 4.820 . 0 0 "[ . 1 . 2 ]" 1 460 1 13 ILE MG 1 21 TRP HZ3 5.500 . 7.000 5.730 5.708 5.775 . 0 0 "[ . 1 . 2 ]" 1 461 1 13 ILE MG 1 128 MET HB2 3.500 . 4.500 1.969 1.907 2.084 . 0 0 "[ . 1 . 2 ]" 1 462 1 13 ILE MD 1 100 ALA H 4.500 . 5.500 4.066 3.618 4.447 . 0 0 "[ . 1 . 2 ]" 1 463 1 13 ILE MD 1 126 THR MG 2.500 . 4.500 1.911 1.822 2.364 . 0 0 "[ . 1 . 2 ]" 1 464 1 14 GLY H 1 20 PRO QD 5.500 . 5.500 4.164 3.995 4.640 . 0 0 "[ . 1 . 2 ]" 1 465 1 14 GLY H 1 126 THR MG 5.500 . 6.500 4.407 3.895 4.763 . 0 0 "[ . 1 . 2 ]" 1 466 1 15 LYS H 1 20 PRO QD 5.500 . 5.500 3.474 3.247 3.763 . 0 0 "[ . 1 . 2 ]" 1 467 1 15 LYS QG 1 125 ASP H 4.500 . 5.500 2.819 2.478 3.212 . 0 0 "[ . 1 . 2 ]" 1 468 1 20 PRO QB 1 122 PHE QB 4.500 . 5.500 2.044 1.964 2.316 . 0 0 "[ . 1 . 2 ]" 1 469 1 21 TRP HB2 1 151 LEU MD2 3.500 . 4.500 3.557 3.260 3.716 . 0 0 "[ . 1 . 2 ]" 1 470 1 21 TRP HD1 1 26 ASP HB3 6.500 . 6.500 5.182 4.816 5.421 . 0 0 "[ . 1 . 2 ]" 1 471 1 21 TRP HD1 1 118 LEU MD2 4.500 . 4.500 3.001 2.802 3.157 . 0 0 "[ . 1 . 2 ]" 1 472 1 21 TRP HD1 1 151 LEU MD2 4.500 . 5.500 4.221 3.976 4.601 . 0 0 "[ . 1 . 2 ]" 1 473 1 21 TRP HE1 1 118 LEU MD1 5.500 . 6.500 3.782 3.622 3.979 . 0 0 "[ . 1 . 2 ]" 1 474 1 21 TRP HE1 1 118 LEU MD2 5.500 . 6.500 3.200 3.006 3.585 . 0 0 "[ . 1 . 2 ]" 1 475 1 21 TRP HE3 1 118 LEU MD2 5.500 . 6.500 3.933 3.638 4.107 . 0 0 "[ . 1 . 2 ]" 1 476 1 21 TRP HE3 1 122 PHE HB3 5.500 . 5.500 2.760 2.489 3.159 . 0 0 "[ . 1 . 2 ]" 1 477 1 21 TRP HE3 1 122 PHE HB2 5.500 . 5.500 2.192 2.018 2.510 . 0 0 "[ . 1 . 2 ]" 1 478 1 21 TRP HZ2 1 118 LEU MD1 4.500 . 5.500 3.956 3.594 4.368 . 0 0 "[ . 1 . 2 ]" 1 479 1 21 TRP HZ2 1 118 LEU MD2 6.000 . 7.000 4.093 3.794 4.570 . 0 0 "[ . 1 . 2 ]" 1 480 1 21 TRP HZ3 1 122 PHE HB2 5.500 . 5.500 3.047 2.843 3.327 . 0 0 "[ . 1 . 2 ]" 1 481 1 22 HIS HD2 1 27 LEU MD1 5.500 . 6.500 5.141 4.838 5.286 . 0 0 "[ . 1 . 2 ]" 1 482 1 22 HIS HE1 1 27 LEU MD1 3.500 . 4.500 3.105 2.931 3.267 . 0 0 "[ . 1 . 2 ]" 1 483 1 22 HIS HE1 1 27 LEU MD2 5.500 . 6.500 5.190 4.954 5.316 . 0 0 "[ . 1 . 2 ]" 1 484 1 23 LEU HG 1 153 HIS HD2 5.500 . 6.000 5.675 5.469 5.829 . 0 0 "[ . 1 . 2 ]" 1 485 1 23 LEU MD1 1 153 HIS HE1 3.500 . 4.500 2.588 2.160 3.282 . 0 0 "[ . 1 . 2 ]" 1 486 1 23 LEU MD1 1 153 HIS HD2 5.500 . 6.500 5.038 4.836 5.204 . 0 0 "[ . 1 . 2 ]" 1 487 1 23 LEU MD1 1 118 LEU MD1 5.500 . 6.000 3.919 3.901 3.959 . 0 0 "[ . 1 . 2 ]" 1 488 1 23 LEU MD2 1 116 THR MG 4.500 . 5.500 2.972 2.743 3.111 . 0 0 "[ . 1 . 2 ]" 1 489 1 23 LEU MD2 1 118 LEU MD1 3.500 . 4.500 2.323 2.223 2.497 . 0 0 "[ . 1 . 2 ]" 1 490 1 23 LEU MD2 1 118 LEU MD2 3.500 . 4.500 2.570 2.409 2.664 . 0 0 "[ . 1 . 2 ]" 1 491 1 23 LEU MD2 1 151 LEU MD2 4.500 . 6.000 3.951 3.843 4.013 . 0 0 "[ . 1 . 2 ]" 1 492 1 23 LEU MD2 1 153 HIS HE1 4.500 . 5.500 2.987 2.834 3.157 . 0 0 "[ . 1 . 2 ]" 1 493 1 23 LEU MD2 1 153 HIS HD2 5.500 . 6.500 3.221 3.086 3.415 . 0 0 "[ . 1 . 2 ]" 1 494 1 25 ASP HB3 1 153 HIS HE1 5.500 3.500 6.500 3.536 3.496 3.608 0.004 7 0 "[ . 1 . 2 ]" 1 495 1 25 ASP HB2 1 153 HIS HE1 4.500 . 5.500 4.127 3.969 4.350 . 0 0 "[ . 1 . 2 ]" 1 496 1 26 ASP HB3 1 116 THR MG 5.500 . 6.500 4.633 4.123 4.809 . 0 0 "[ . 1 . 2 ]" 1 497 1 26 ASP HB2 1 116 THR MG 3.500 . 4.500 3.425 3.147 3.546 . 0 0 "[ . 1 . 2 ]" 1 498 1 26 ASP HB2 1 153 HIS HE1 4.500 . 5.500 5.453 5.226 5.504 0.004 13 0 "[ . 1 . 2 ]" 1 499 1 30 PHE HZ 1 41 VAL MG1 4.500 . 5.000 3.573 3.336 3.817 . 0 0 "[ . 1 . 2 ]" 1 500 1 30 PHE HZ 1 54 LEU MD1 5.500 . 6.500 3.974 3.612 4.535 . 0 0 "[ . 1 . 2 ]" 1 501 1 30 PHE HZ 1 97 ALA MB 4.500 . 5.500 2.705 2.434 3.073 . 0 0 "[ . 1 . 2 ]" 1 502 1 35 VAL HA 1 57 ARG HE 5.500 . 5.500 3.926 3.235 5.423 . 0 0 "[ . 1 . 2 ]" 1 503 1 35 VAL HA 1 57 ARG QD 5.500 . 6.500 4.116 3.529 4.598 . 0 0 "[ . 1 . 2 ]" 1 504 1 37 LYS HA 1 92 GLN QE 4.500 . 5.500 3.503 2.231 4.935 . 0 0 "[ . 1 . 2 ]" 1 505 1 38 ILE QG 1 92 GLN H 5.500 . 6.500 4.908 4.380 5.500 . 0 0 "[ . 1 . 2 ]" 1 506 1 38 ILE QG 1 92 GLN QE 4.500 . 6.500 2.849 1.791 3.738 . 0 0 "[ . 1 . 2 ]" 1 507 1 38 ILE MD 1 92 GLN QE 5.500 . 7.500 3.988 2.845 5.065 . 0 0 "[ . 1 . 2 ]" 1 508 1 38 ILE MD 1 86 ALA HA 2.500 . 3.500 2.419 1.960 2.738 . 0 0 "[ . 1 . 2 ]" 1 509 1 38 ILE MD 1 89 HIS HB2 3.500 . 4.500 3.268 2.934 3.585 . 0 0 "[ . 1 . 2 ]" 1 510 1 39 MET QB 1 54 LEU MD1 4.500 . 5.500 3.911 3.743 4.010 . 0 0 "[ . 1 . 2 ]" 1 511 1 39 MET ME 1 54 LEU HG 3.500 . 4.500 3.437 3.135 3.594 . 0 0 "[ . 1 . 2 ]" 1 512 1 39 MET ME 1 54 LEU MD1 2.500 . 3.500 1.914 1.742 2.079 . 0 0 "[ . 1 . 2 ]" 1 513 1 39 MET ME 1 59 ASN HA 2.500 . 3.500 2.639 2.223 2.848 . 0 0 "[ . 1 . 2 ]" 1 514 1 39 MET ME 1 59 ASN QB 3.500 . 5.500 3.351 2.800 3.765 . 0 0 "[ . 1 . 2 ]" 1 515 1 39 MET ME 1 59 ASN QD 3.500 . 4.500 2.528 1.775 3.137 . 0 0 "[ . 1 . 2 ]" 1 516 1 39 MET QB 1 59 ASN HA 5.500 . 6.500 2.790 2.286 3.162 . 0 0 "[ . 1 . 2 ]" 1 517 1 39 MET ME 1 54 LEU H 5.500 . 5.500 3.848 3.298 4.322 . 0 0 "[ . 1 . 2 ]" 1 518 1 40 VAL HA 1 60 VAL MG2 5.500 . 6.500 3.543 3.404 3.738 . 0 0 "[ . 1 . 2 ]" 1 519 1 40 VAL MG2 1 96 ILE MD 2.500 . 4.500 2.919 2.681 3.027 . 0 0 "[ . 1 . 2 ]" 1 520 1 40 VAL HB 1 96 ILE MD 2.500 . 3.500 2.064 1.947 2.371 . 0 0 "[ . 1 . 2 ]" 1 521 1 41 VAL H 1 61 VAL MG1 5.500 . 6.000 4.731 4.519 4.881 . 0 0 "[ . 1 . 2 ]" 1 522 1 41 VAL H 1 61 VAL MG2 5.500 . 5.500 4.111 3.792 4.413 . 0 0 "[ . 1 . 2 ]" 1 523 1 41 VAL HA 1 97 ALA MB 5.500 . 6.500 3.773 3.624 4.046 . 0 0 "[ . 1 . 2 ]" 1 524 1 41 VAL HA 1 102 ILE MG 3.500 . 4.500 3.131 2.739 3.435 . 0 0 "[ . 1 . 2 ]" 1 525 1 41 VAL HB 1 99 GLY H 5.500 . 6.000 4.825 4.370 5.079 . 0 0 "[ . 1 . 2 ]" 1 526 1 41 VAL MG1 1 49 PHE HZ 4.500 . 5.500 2.095 1.928 2.429 . 0 0 "[ . 1 . 2 ]" 1 527 1 41 VAL MG2 1 49 PHE HZ 3.500 . 4.500 3.447 3.115 3.638 . 0 0 "[ . 1 . 2 ]" 1 528 1 41 VAL MG2 1 61 VAL HA 3.500 . 4.500 2.991 2.606 3.301 . 0 0 "[ . 1 . 2 ]" 1 529 1 41 VAL MG2 1 61 VAL MG1 4.500 . 6.500 3.320 3.122 3.449 . 0 0 "[ . 1 . 2 ]" 1 530 1 41 VAL MG2 1 61 VAL MG2 2.500 . 4.500 2.698 2.491 2.823 . 0 0 "[ . 1 . 2 ]" 1 531 1 41 VAL MG1 1 97 ALA H 4.500 . 5.500 3.127 2.704 3.506 . 0 0 "[ . 1 . 2 ]" 1 532 1 41 VAL MG1 1 98 GLY H 5.500 . 6.500 3.155 2.679 3.633 . 0 0 "[ . 1 . 2 ]" 1 533 1 43 ARG HA 1 61 VAL MG1 2.500 . 3.500 2.504 2.227 2.794 . 0 0 "[ . 1 . 2 ]" 1 534 1 43 ARG HA 1 61 VAL MG2 4.500 . 5.500 4.111 3.886 4.412 . 0 0 "[ . 1 . 2 ]" 1 535 1 45 THR MG 1 99 GLY H 5.500 . 6.500 4.594 4.126 4.946 . 0 0 "[ . 1 . 2 ]" 1 536 1 46 TYR H 1 61 VAL MG1 5.500 . 6.500 4.337 4.009 4.560 . 0 0 "[ . 1 . 2 ]" 1 537 1 46 TYR H 1 61 VAL MG2 5.500 . 6.500 4.932 4.716 5.185 . 0 0 "[ . 1 . 2 ]" 1 538 1 46 TYR HA 1 61 VAL MG1 5.500 . 6.500 5.005 4.550 5.242 . 0 0 "[ . 1 . 2 ]" 1 539 1 46 TYR HA 1 61 VAL MG2 5.500 . 6.500 4.379 3.995 4.661 . 0 0 "[ . 1 . 2 ]" 1 540 1 47 GLU HA 1 52 ARG HE 3.500 . 3.500 2.758 1.827 3.502 0.002 17 0 "[ . 1 . 2 ]" 1 541 1 47 GLU HA 1 52 ARG QD 3.500 . 4.500 2.784 2.182 4.065 . 0 0 "[ . 1 . 2 ]" 1 542 1 49 PHE HZ 1 54 LEU MD1 4.500 . 5.500 3.319 3.016 3.618 . 0 0 "[ . 1 . 2 ]" 1 543 1 54 LEU QB 1 59 ASN QD 3.500 . 5.500 1.871 1.681 2.183 . 0 0 "[ . 1 . 2 ]" 1 544 1 58 THR HB 1 92 GLN QE 5.500 . 6.500 4.025 3.219 5.155 . 0 0 "[ . 1 . 2 ]" 1 545 1 59 ASN HB2 1 73 ALA MB 3.500 . 4.500 2.501 2.152 2.811 . 0 0 "[ . 1 . 2 ]" 1 546 1 60 VAL MG1 1 74 VAL HA 5.500 . 6.500 5.021 4.765 5.173 . 0 0 "[ . 1 . 2 ]" 1 547 1 60 VAL MG2 1 74 VAL HA 5.500 . 6.500 5.055 4.783 5.153 . 0 0 "[ . 1 . 2 ]" 1 548 1 60 VAL MG1 1 74 VAL HB 4.500 . 5.500 2.868 2.567 3.112 . 0 0 "[ . 1 . 2 ]" 1 549 1 60 VAL MG2 1 74 VAL HB 3.500 . 4.500 2.346 2.019 2.477 . 0 0 "[ . 1 . 2 ]" 1 550 1 61 VAL HB 1 70 ALA MB 5.500 . 6.500 3.698 3.354 4.049 . 0 0 "[ . 1 . 2 ]" 1 551 1 61 VAL MG2 1 70 ALA MB 3.500 . 4.500 2.662 2.386 2.960 . 0 0 "[ . 1 . 2 ]" 1 552 1 61 VAL MG1 1 75 VAL MG1 5.500 . 6.500 3.472 2.965 3.663 . 0 0 "[ . 1 . 2 ]" 1 553 1 61 VAL MG2 1 75 VAL MG2 4.500 . 5.500 3.357 2.773 3.474 . 0 0 "[ . 1 . 2 ]" 1 554 1 61 VAL MG2 1 73 ALA HA 5.500 . 6.500 4.942 4.562 5.198 . 0 0 "[ . 1 . 2 ]" 1 555 1 61 VAL MG2 1 73 ALA MB 2.500 . 4.500 2.665 2.262 2.914 . 0 0 "[ . 1 . 2 ]" 1 556 1 62 LEU HA 1 76 VAL MG2 3.500 . 4.500 2.063 1.972 2.723 . 0 0 "[ . 1 . 2 ]" 1 557 1 62 LEU MD1 1 77 HIS HA 3.500 . 4.500 3.074 2.802 3.341 . 0 0 "[ . 1 . 2 ]" 1 558 1 62 LEU MD1 1 77 HIS H 4.500 . 5.500 3.852 3.684 4.015 . 0 0 "[ . 1 . 2 ]" 1 559 1 62 LEU MD1 1 78 ASP H 4.500 . 5.500 2.517 2.351 2.705 . 0 0 "[ . 1 . 2 ]" 1 560 1 62 LEU MD1 1 78 ASP HA 3.500 . 4.500 3.498 3.283 3.567 . 0 0 "[ . 1 . 2 ]" 1 561 1 62 LEU MD1 1 79 VAL HA 4.500 . 5.500 3.177 2.767 3.660 . 0 0 "[ . 1 . 2 ]" 1 562 1 63 THR MG 1 68 TYR QB 4.500 . 6.500 2.499 2.132 2.892 . 0 0 "[ . 1 . 2 ]" 1 563 1 63 THR MG 1 77 HIS HA 5.500 . 6.500 3.651 3.174 3.957 . 0 0 "[ . 1 . 2 ]" 1 564 1 63 THR MG 1 77 HIS HE1 3.500 . 4.500 2.272 2.094 2.513 . 0 0 "[ . 1 . 2 ]" 1 565 1 66 GLU HA 1 77 HIS HE1 4.500 . 4.500 2.708 2.067 3.688 . 0 0 "[ . 1 . 2 ]" 1 566 1 66 GLU QG 1 77 HIS HE1 4.500 . 5.500 3.945 3.108 4.912 . 0 0 "[ . 1 . 2 ]" 1 567 1 68 TYR HB3 1 77 HIS HE1 4.500 . 5.000 4.208 3.564 4.887 . 0 0 "[ . 1 . 2 ]" 1 568 1 68 TYR HB2 1 77 HIS HE1 5.500 . 6.000 5.409 4.824 5.972 . 0 0 "[ . 1 . 2 ]" 1 569 1 79 VAL HA 1 106 PHE HZ 3.500 . 3.500 2.831 2.503 3.108 . 0 0 "[ . 1 . 2 ]" 1 570 1 82 VAL H 1 106 PHE HZ 5.500 . 5.500 4.356 3.970 4.679 . 0 0 "[ . 1 . 2 ]" 1 571 1 82 VAL MG2 1 106 PHE HZ 2.500 . 3.500 2.075 1.966 2.362 . 0 0 "[ . 1 . 2 ]" 1 572 1 96 ILE MG 1 106 PHE H 6.000 . 6.000 4.411 4.139 4.791 . 0 0 "[ . 1 . 2 ]" 1 573 1 96 ILE MD 1 102 ILE HB 5.500 . 6.000 4.546 4.247 4.743 . 0 0 "[ . 1 . 2 ]" 1 574 1 96 ILE MD 1 106 PHE QB 4.500 . 6.500 2.957 2.529 3.431 . 0 0 "[ . 1 . 2 ]" 1 575 1 96 ILE MD 1 106 PHE HZ 5.500 . 6.500 4.433 3.947 4.892 . 0 0 "[ . 1 . 2 ]" 1 576 1 100 ALA H 1 126 THR MG 5.500 . 5.500 4.145 3.508 4.454 . 0 0 "[ . 1 . 2 ]" 1 577 1 100 ALA MB 1 126 THR MG 2.500 . 4.500 3.047 2.897 3.110 . 0 0 "[ . 1 . 2 ]" 1 578 1 100 ALA MB 1 129 ILE MG 3.500 . 5.500 2.558 1.895 3.039 . 0 0 "[ . 1 . 2 ]" 1 579 1 103 PHE HA 1 128 MET ME 5.500 . 6.000 4.989 4.913 5.044 . 0 0 "[ . 1 . 2 ]" 1 580 1 103 PHE HB3 1 128 MET ME 3.500 . 4.500 3.092 3.005 3.202 . 0 0 "[ . 1 . 2 ]" 1 581 1 103 PHE HB2 1 128 MET ME 4.500 . 5.500 3.296 3.077 3.520 . 0 0 "[ . 1 . 2 ]" 1 582 1 103 PHE QB 1 129 ILE MD 5.500 . 6.500 2.424 2.202 2.772 . 0 0 "[ . 1 . 2 ]" 1 583 1 104 THR H 1 129 ILE MG 4.500 . 5.500 3.954 3.605 4.257 . 0 0 "[ . 1 . 2 ]" 1 584 1 104 THR H 1 129 ILE MD 4.500 . 5.500 3.036 2.645 3.569 . 0 0 "[ . 1 . 2 ]" 1 585 1 107 LYS H 1 129 ILE MD 5.500 . 6.500 5.238 4.976 5.450 . 0 0 "[ . 1 . 2 ]" 1 586 1 110 VAL MG1 1 136 PHE HZ 2.500 . 3.500 1.994 1.886 2.106 . 0 0 "[ . 1 . 2 ]" 1 587 1 111 ASP HA 1 160 LYS QD 4.500 . 5.500 3.275 2.691 4.839 . 0 0 "[ . 1 . 2 ]" 1 588 1 111 ASP HB3 1 160 LYS H 5.500 . 5.500 4.142 3.850 5.211 . 0 0 "[ . 1 . 2 ]" 1 589 1 111 ASP HB2 1 160 LYS H 5.500 . 5.500 4.950 3.848 5.211 . 0 0 "[ . 1 . 2 ]" 1 590 1 112 THR MG 1 159 GLN HA 4.500 . 5.500 3.456 3.095 4.025 . 0 0 "[ . 1 . 2 ]" 1 591 1 113 LEU HB3 1 158 TRP HD1 5.500 . 5.500 4.438 4.050 4.689 . 0 0 "[ . 1 . 2 ]" 1 592 1 113 LEU HB2 1 158 TRP HD1 3.500 . 4.000 3.967 3.880 4.004 0.004 9 0 "[ . 1 . 2 ]" 1 593 1 113 LEU HG 1 159 GLN HA 5.500 . 5.500 5.379 5.113 5.490 . 0 0 "[ . 1 . 2 ]" 1 594 1 113 LEU MD1 1 131 LEU MD2 5.600 . 6.600 3.611 3.374 3.806 . 0 0 "[ . 1 . 2 ]" 1 595 1 113 LEU MD1 1 131 LEU MD1 5.600 . 6.600 3.330 3.081 3.492 . 0 0 "[ . 1 . 2 ]" 1 596 1 113 LEU MD1 1 133 TRP HE3 4.500 . 5.500 3.467 3.215 3.867 . 0 0 "[ . 1 . 2 ]" 1 597 1 113 LEU MD1 1 133 TRP HZ2 5.500 . 6.500 4.652 4.459 4.788 . 0 0 "[ . 1 . 2 ]" 1 598 1 113 LEU MD1 1 133 TRP HZ3 3.500 . 4.500 3.163 3.040 3.357 . 0 0 "[ . 1 . 2 ]" 1 599 1 113 LEU MD1 1 133 TRP HH2 4.500 . 5.000 3.868 3.771 3.924 . 0 0 "[ . 1 . 2 ]" 1 600 1 113 LEU MD1 1 158 TRP HB3 5.500 . 5.500 3.627 3.496 3.736 . 0 0 "[ . 1 . 2 ]" 1 601 1 113 LEU MD1 1 158 TRP HB2 3.500 . 4.000 3.129 2.974 3.183 . 0 0 "[ . 1 . 2 ]" 1 602 1 113 LEU MD1 1 158 TRP HE3 4.500 . 6.000 4.779 4.639 4.902 . 0 0 "[ . 1 . 2 ]" 1 603 1 113 LEU MD2 1 131 LEU MD2 3.500 . 4.500 2.819 2.723 2.890 . 0 0 "[ . 1 . 2 ]" 1 604 1 114 LEU MD2 1 157 VAL HA 3.500 . 4.500 2.077 1.981 2.177 . 0 0 "[ . 1 . 2 ]" 1 605 1 114 LEU MD2 1 157 VAL HB 4.500 . 5.500 3.764 3.654 3.874 . 0 0 "[ . 1 . 2 ]" 1 606 1 114 LEU MD2 1 158 TRP H 4.500 . 5.000 3.707 3.551 3.823 . 0 0 "[ . 1 . 2 ]" 1 607 1 115 VAL MG1 1 158 TRP HD1 3.500 . 4.500 3.477 3.312 3.607 . 0 0 "[ . 1 . 2 ]" 1 608 1 115 VAL MG1 1 133 TRP HH2 3.500 . 4.500 2.588 2.249 2.749 . 0 0 "[ . 1 . 2 ]" 1 609 1 115 VAL MG2 1 133 TRP HH2 3.500 . 4.500 3.621 3.526 3.682 . 0 0 "[ . 1 . 2 ]" 1 610 1 116 THR MG 1 153 HIS HA 4.500 . 5.500 4.458 4.401 4.507 . 0 0 "[ . 1 . 2 ]" 1 611 1 116 THR MG 1 154 THR H 4.500 . 5.500 3.540 3.322 3.638 . 0 0 "[ . 1 . 2 ]" 1 612 1 116 THR MG 1 153 HIS HB2 3.500 . 4.500 2.394 2.260 2.526 . 0 0 "[ . 1 . 2 ]" 1 613 1 116 THR MG 1 153 HIS HD2 2.500 . 3.500 2.405 2.100 2.698 . 0 0 "[ . 1 . 2 ]" 1 614 1 117 ARG H 1 153 HIS HD2 5.500 . 6.500 5.531 5.163 5.807 . 0 0 "[ . 1 . 2 ]" 1 615 1 118 LEU HG 1 153 HIS HA 4.500 . 4.500 3.874 3.635 4.091 . 0 0 "[ . 1 . 2 ]" 1 616 1 118 LEU MD1 1 153 HIS HA 5.500 . 5.500 3.587 3.338 4.009 . 0 0 "[ . 1 . 2 ]" 1 617 1 118 LEU MD1 1 153 HIS HB3 3.500 . 4.500 2.156 1.968 2.469 . 0 0 "[ . 1 . 2 ]" 1 618 1 118 LEU MD1 1 153 HIS HB2 3.500 . 4.500 2.305 2.142 2.614 . 0 0 "[ . 1 . 2 ]" 1 619 1 118 LEU MD1 1 153 HIS HD2 5.500 . 6.500 3.952 3.691 4.175 . 0 0 "[ . 1 . 2 ]" 1 620 1 118 LEU MD1 1 151 LEU HA 5.500 . 6.500 5.378 5.305 5.436 . 0 0 "[ . 1 . 2 ]" 1 621 1 118 LEU MD2 1 151 LEU HA 3.500 . 4.500 3.550 3.480 3.594 . 0 0 "[ . 1 . 2 ]" 1 622 1 118 LEU MD2 1 151 LEU MD2 4.500 . 5.500 3.338 3.240 3.464 . 0 0 "[ . 1 . 2 ]" 1 623 1 122 PHE HZ 1 150 ALA MB 2.500 . 4.000 3.019 2.897 3.169 . 0 0 "[ . 1 . 2 ]" 1 624 1 122 PHE HZ 1 151 LEU HG 5.500 . 5.500 4.485 4.098 4.875 . 0 0 "[ . 1 . 2 ]" 1 625 1 122 PHE HZ 1 151 LEU MD2 3.500 . 5.000 3.874 3.560 3.968 . 0 0 "[ . 1 . 2 ]" 1 626 1 133 TRP HE3 1 158 TRP HE3 5.500 . 5.500 3.574 3.246 3.862 . 0 0 "[ . 1 . 2 ]" 1 627 1 133 TRP HE3 1 158 TRP HZ3 4.500 . 4.500 4.310 4.008 4.500 0.000 16 0 "[ . 1 . 2 ]" 1 628 1 133 TRP HZ3 1 158 TRP HD1 4.500 . 4.500 3.081 2.726 3.689 . 0 0 "[ . 1 . 2 ]" 1 629 1 133 TRP HZ3 1 158 TRP HE1 5.500 . 5.500 3.762 3.624 4.018 . 0 0 "[ . 1 . 2 ]" 1 630 1 136 PHE HA 1 158 TRP HE3 5.500 . 7.500 4.323 4.047 4.503 . 0 0 "[ . 1 . 2 ]" 1 631 1 136 PHE H 1 158 TRP HE3 3.500 . 5.500 4.599 4.365 4.870 . 0 0 "[ . 1 . 2 ]" 1 632 1 136 PHE HB3 1 158 TRP HE3 2.500 . 2.500 2.491 2.366 2.505 0.005 20 0 "[ . 1 . 2 ]" 1 633 1 136 PHE HB2 1 158 TRP HE3 3.500 . 3.500 2.960 2.582 3.298 . 0 0 "[ . 1 . 2 ]" 1 634 1 136 PHE HB3 1 158 TRP HZ3 5.500 . 5.500 4.583 4.389 4.696 . 0 0 "[ . 1 . 2 ]" 1 635 1 136 PHE HB2 1 158 TRP HZ3 4.500 . 4.500 4.216 4.011 4.449 . 0 0 "[ . 1 . 2 ]" 1 636 1 137 THR H 1 158 TRP HE3 3.500 . 3.500 2.786 2.547 3.086 . 0 0 "[ . 1 . 2 ]" 1 637 1 137 THR HA 1 158 TRP HE3 5.500 . 5.500 2.836 2.581 3.060 . 0 0 "[ . 1 . 2 ]" 1 638 1 137 THR HA 1 158 TRP HZ3 4.500 . 4.500 2.863 2.502 3.303 . 0 0 "[ . 1 . 2 ]" 1 639 1 137 THR MG 1 159 GLN H 5.500 . 6.500 4.957 4.770 5.262 . 0 0 "[ . 1 . 2 ]" 1 640 1 138 LYS H 1 158 TRP HE3 4.500 . 4.500 3.337 3.007 3.682 . 0 0 "[ . 1 . 2 ]" 1 641 1 138 LYS HA 1 158 TRP HD1 5.500 . 5.500 4.378 4.167 4.628 . 0 0 "[ . 1 . 2 ]" 1 642 1 138 LYS HA 1 158 TRP HE3 5.500 . 5.500 3.827 3.616 4.012 . 0 0 "[ . 1 . 2 ]" 1 643 1 138 LYS QB 1 158 TRP HZ3 5.500 . 6.500 3.839 3.494 4.009 . 0 0 "[ . 1 . 2 ]" 1 644 1 138 LYS HG3 1 158 TRP HE1 5.500 . 5.500 3.430 2.935 3.986 . 0 0 "[ . 1 . 2 ]" 1 645 1 138 LYS QD 1 158 TRP HE1 4.500 . 5.500 4.075 2.521 4.896 . 0 0 "[ . 1 . 2 ]" 1 646 1 138 LYS QE 1 158 TRP HH2 5.500 . 5.500 3.992 3.090 4.927 . 0 0 "[ . 1 . 2 ]" 1 647 1 138 LYS QE 1 158 TRP HZ2 4.500 . 5.500 2.963 2.091 4.410 . 0 0 "[ . 1 . 2 ]" 1 648 1 142 ARG H 1 154 THR MG 3.500 . 4.500 3.439 2.868 3.658 . 0 0 "[ . 1 . 2 ]" 1 649 1 143 THR H 1 154 THR MG 5.500 . 5.500 3.483 3.329 3.677 . 0 0 "[ . 1 . 2 ]" 1 650 1 143 THR HA 1 154 THR MG 4.500 . 5.500 2.006 1.967 2.047 . 0 0 "[ . 1 . 2 ]" 1 651 1 144 VAL MG1 1 153 HIS HD2 3.500 . 4.500 2.961 2.789 3.092 . 0 0 "[ . 1 . 2 ]" 1 652 1 143 THR MG 1 154 THR MG 2.500 . 4.500 2.498 2.266 2.762 . 0 0 "[ . 1 . 2 ]" 1 653 1 144 VAL MG2 1 153 HIS HE1 3.500 . 4.500 3.274 3.135 3.501 . 0 0 "[ . 1 . 2 ]" 1 654 1 144 VAL MG2 1 153 HIS HD2 5.500 . 6.500 5.167 4.996 5.324 . 0 0 "[ . 1 . 2 ]" 1 655 1 145 GLU HA 1 152 THR HG1 4.500 . 5.500 3.890 2.791 5.190 . 0 0 "[ . 1 . 2 ]" 1 656 1 145 GLU HA 1 152 THR MG 3.500 . 4.500 2.130 1.979 2.268 . 0 0 "[ . 1 . 2 ]" 1 657 1 145 GLU QG 1 152 THR HG1 5.500 . 6.500 3.912 2.167 5.655 . 0 0 "[ . 1 . 2 ]" 1 658 1 146 ASP QB 1 151 LEU MD1 4.500 . 6.500 3.119 2.958 3.272 . 0 0 "[ . 1 . 2 ]" 1 659 1 146 ASP H 1 152 THR MG 5.500 . 6.500 3.293 2.202 3.516 . 0 0 "[ . 1 . 2 ]" 1 660 1 1 THR MG 1 3 PHE QE 4.500 . 5.500 2.304 1.895 2.931 . 0 0 "[ . 1 . 2 ]" 1 661 1 19 LEU QD 1 21 TRP H 5.500 . 6.500 3.504 3.131 3.839 . 0 0 "[ . 1 . 2 ]" 1 662 1 19 LEU QD 1 21 TRP HD1 5.500 . 6.500 3.740 3.428 3.848 . 0 0 "[ . 1 . 2 ]" 1 663 1 19 LEU QD 1 21 TRP HE1 4.500 . 5.500 2.466 2.186 2.702 . 0 0 "[ . 1 . 2 ]" 1 664 1 19 LEU QD 1 21 TRP HZ2 5.500 . 6.500 2.306 2.083 2.557 . 0 0 "[ . 1 . 2 ]" 1 665 1 26 ASP HA 1 29 TYR QD 5.500 . 5.500 4.474 4.348 4.614 . 0 0 "[ . 1 . 2 ]" 1 666 1 27 LEU HA 1 30 PHE QD 5.500 . 5.500 5.024 4.827 5.269 . 0 0 "[ . 1 . 2 ]" 1 667 1 29 TYR QD 1 32 ALA MB 4.500 . 5.500 3.008 2.748 3.168 . 0 0 "[ . 1 . 2 ]" 1 668 1 29 TYR QD 1 33 GLN H 5.500 . 5.500 4.869 4.779 5.088 . 0 0 "[ . 1 . 2 ]" 1 669 1 29 TYR QD 1 33 GLN HB2 5.500 . 5.500 4.319 4.131 4.682 . 0 0 "[ . 1 . 2 ]" 1 670 1 29 TYR QD 1 33 GLN QG 5.500 . 5.500 3.436 2.950 4.790 . 0 0 "[ . 1 . 2 ]" 1 671 1 29 TYR QE 1 33 GLN HB2 4.500 . 5.500 4.442 4.152 4.678 . 0 0 "[ . 1 . 2 ]" 1 672 1 29 TYR QE 1 33 GLN QG 4.500 . 4.500 2.639 2.367 3.611 . 0 0 "[ . 1 . 2 ]" 1 673 1 30 PHE QD 1 34 THR MG 5.500 . 5.500 2.958 2.764 3.151 . 0 0 "[ . 1 . 2 ]" 1 674 1 30 PHE QE 1 34 THR MG 4.500 . 4.500 2.740 2.569 2.881 . 0 0 "[ . 1 . 2 ]" 1 675 1 32 ALA HA 1 35 VAL QG 3.500 . 3.500 2.692 2.516 3.122 . 0 0 "[ . 1 . 2 ]" 1 676 1 43 ARG HA 1 46 TYR QD 4.500 . 4.500 4.323 4.104 4.504 0.004 4 0 "[ . 1 . 2 ]" 1 677 1 46 TYR HA 1 49 PHE QD 3.500 . 3.500 2.212 2.003 2.688 . 0 0 "[ . 1 . 2 ]" 1 678 1 46 TYR HA 1 49 PHE QE 4.500 . 4.500 2.326 1.996 2.737 . 0 0 "[ . 1 . 2 ]" 1 679 1 46 TYR QD 1 49 PHE QD 4.500 . 4.500 3.370 3.004 3.818 . 0 0 "[ . 1 . 2 ]" 1 680 1 46 TYR QD 1 49 PHE QE 4.500 . 4.500 2.862 2.374 3.265 . 0 0 "[ . 1 . 2 ]" 1 681 1 68 TYR QD 1 70 ALA MB 3.500 . 4.000 3.419 2.610 3.951 . 0 0 "[ . 1 . 2 ]" 1 682 1 68 TYR QE 1 70 ALA HA 5.500 . 5.500 3.954 3.427 4.567 . 0 0 "[ . 1 . 2 ]" 1 683 1 68 TYR QE 1 70 ALA MB 3.500 . 3.500 2.423 2.122 2.943 . 0 0 "[ . 1 . 2 ]" 1 684 1 75 VAL QG 1 77 HIS HE1 4.500 . 4.500 2.997 2.625 3.711 . 0 0 "[ . 1 . 2 ]" 1 685 1 80 ALA HA 1 83 PHE QD 3.500 . 3.500 2.785 2.407 3.376 . 0 0 "[ . 1 . 2 ]" 1 686 1 80 ALA H 1 83 PHE QD 5.500 . 5.500 4.567 4.405 4.780 . 0 0 "[ . 1 . 2 ]" 1 687 1 94 LEU QB 1 96 ILE MD 5.500 . 6.000 4.291 3.976 4.499 . 0 0 "[ . 1 . 2 ]" 1 688 1 94 LEU QD 1 96 ILE MD 3.500 . 4.000 2.395 1.738 2.741 . 0 0 "[ . 1 . 2 ]" 1 689 1 100 ALA H 1 103 PHE QD 5.500 . 5.500 4.245 4.032 4.391 . 0 0 "[ . 1 . 2 ]" 1 690 1 100 ALA HA 1 103 PHE QE 5.500 . 5.500 3.921 3.760 4.082 . 0 0 "[ . 1 . 2 ]" 1 691 1 100 ALA MB 1 103 PHE QD 5.500 . 5.500 3.622 3.561 3.666 . 0 0 "[ . 1 . 2 ]" 1 692 1 106 PHE QD 1 109 ASP HB3 5.500 . 5.500 4.588 3.539 5.499 . 0 0 "[ . 1 . 2 ]" 1 693 1 106 PHE QD 1 109 ASP HB2 4.500 . 4.500 3.536 2.751 4.346 . 0 0 "[ . 1 . 2 ]" 1 694 1 107 LYS HA 1 110 VAL QG 3.500 . 4.000 2.898 2.491 3.356 . 0 0 "[ . 1 . 2 ]" 1 695 1 110 VAL QG 1 112 THR H 4.500 . 4.500 3.348 2.995 3.738 . 0 0 "[ . 1 . 2 ]" 1 696 1 110 VAL QG 1 113 LEU MD2 3.500 . 3.500 2.169 1.852 2.452 . 0 0 "[ . 1 . 2 ]" 1 697 1 113 LEU QB 1 115 VAL QG 5.500 . 6.000 3.999 3.870 4.045 . 0 0 "[ . 1 . 2 ]" 1 698 1 118 LEU HB3 1 122 PHE QE 4.500 . 4.500 3.109 2.759 3.309 . 0 0 "[ . 1 . 2 ]" 1 699 1 118 LEU MD1 1 122 PHE QE 5.500 . 6.500 5.122 4.837 5.274 . 0 0 "[ . 1 . 2 ]" 1 700 1 118 LEU MD2 1 122 PHE QD 4.500 . 5.000 3.476 3.224 3.664 . 0 0 "[ . 1 . 2 ]" 1 701 1 118 LEU MD2 1 122 PHE QE 3.500 . 3.500 2.657 2.442 2.865 . 0 0 "[ . 1 . 2 ]" 1 702 1 120 GLY QA 1 122 PHE QE 5.500 . 5.500 2.475 2.245 2.762 . 0 0 "[ . 1 . 2 ]" 1 703 1 120 GLY H 1 122 PHE QE 4.500 . 4.500 3.503 3.396 3.647 . 0 0 "[ . 1 . 2 ]" 1 704 1 133 TRP HA 1 136 PHE QE 4.500 . 5.500 4.310 4.023 4.557 . 0 0 "[ . 1 . 2 ]" 1 705 1 134 ASP H 1 136 PHE QD 4.500 . 5.500 4.560 4.267 4.901 . 0 0 "[ . 1 . 2 ]" 1 706 1 153 HIS HD2 1 155 TYR QD 4.500 . 4.500 3.790 3.622 4.019 . 0 0 "[ . 1 . 2 ]" 1 707 1 153 HIS HD2 1 155 TYR QE 3.500 . 3.500 2.856 2.557 3.330 . 0 0 "[ . 1 . 2 ]" 1 708 1 9 ARG H 1 11 GLY H 4.500 . 4.500 4.417 4.245 4.466 . 0 0 "[ . 1 . 2 ]" 1 709 1 15 LYS H 1 17 GLY H 4.500 . 4.500 3.401 3.258 3.593 . 0 0 "[ . 1 . 2 ]" 1 710 1 16 ASP H 1 18 HIS H 5.500 . 5.500 5.259 5.179 5.327 . 0 0 "[ . 1 . 2 ]" 1 711 1 26 ASP H 1 28 HIS H 5.500 . 5.500 4.009 3.954 4.069 . 0 0 "[ . 1 . 2 ]" 1 712 1 27 LEU H 1 29 TYR H 5.500 . 5.500 4.058 3.948 4.134 . 0 0 "[ . 1 . 2 ]" 1 713 1 28 HIS H 1 30 PHE H 4.500 . 4.500 3.886 3.826 3.948 . 0 0 "[ . 1 . 2 ]" 1 714 1 30 PHE H 1 32 ALA H 5.500 . 5.500 3.893 3.803 3.944 . 0 0 "[ . 1 . 2 ]" 1 715 1 31 ARG H 1 33 GLN H 4.500 . 4.500 4.123 4.029 4.500 0.000 13 0 "[ . 1 . 2 ]" 1 716 1 32 ALA H 1 34 THR H 4.500 . 4.500 4.256 3.836 4.358 . 0 0 "[ . 1 . 2 ]" 1 717 1 33 GLN H 1 35 VAL H 4.500 . 4.500 4.411 4.328 4.485 . 0 0 "[ . 1 . 2 ]" 1 718 1 44 ARG H 1 46 TYR H 4.500 . 4.500 3.883 3.763 3.975 . 0 0 "[ . 1 . 2 ]" 1 719 1 46 TYR H 1 48 SER H 5.500 . 5.500 3.804 3.670 3.923 . 0 0 "[ . 1 . 2 ]" 1 720 1 47 GLU H 1 49 PHE H 5.500 . 5.500 4.122 3.985 4.457 . 0 0 "[ . 1 . 2 ]" 1 721 1 80 ALA H 1 82 VAL H 4.500 . 4.500 4.148 4.096 4.199 . 0 0 "[ . 1 . 2 ]" 1 722 1 82 VAL H 1 84 ALA H 4.500 . 4.500 3.902 3.806 3.997 . 0 0 "[ . 1 . 2 ]" 1 723 1 84 ALA H 1 86 ALA H 4.500 . 5.000 4.069 3.953 4.182 . 0 0 "[ . 1 . 2 ]" 1 724 1 85 TYR H 1 87 LYS H 4.500 . 4.500 3.973 3.862 4.050 . 0 0 "[ . 1 . 2 ]" 1 725 1 86 ALA H 1 88 GLN H 5.500 . 5.500 4.280 3.989 4.448 . 0 0 "[ . 1 . 2 ]" 1 726 1 87 LYS H 1 89 HIS H 4.500 . 4.500 3.951 3.832 4.116 . 0 0 "[ . 1 . 2 ]" 1 727 1 102 ILE H 1 104 THR H 4.500 . 4.500 4.321 4.139 4.494 . 0 0 "[ . 1 . 2 ]" 1 728 1 103 PHE H 1 105 ALA H 4.500 . 4.500 3.822 3.713 3.971 . 0 0 "[ . 1 . 2 ]" 1 729 1 105 ALA H 1 107 LYS H 4.500 . 4.500 3.821 3.653 4.033 . 0 0 "[ . 1 . 2 ]" 1 730 1 107 LYS H 1 109 ASP H 4.500 . 4.500 4.323 4.121 4.501 0.001 2 0 "[ . 1 . 2 ]" 1 731 1 108 ASP H 1 110 VAL H 5.500 . 5.500 4.649 4.187 4.983 . 0 0 "[ . 1 . 2 ]" 1 732 1 133 TRP H 1 135 ASP H 5.500 . 5.500 4.391 4.298 4.598 . 0 0 "[ . 1 . 2 ]" 1 733 1 19 LEU HA 1 21 TRP H 5.500 . 6.500 4.112 4.040 4.210 . 0 0 "[ . 1 . 2 ]" 1 734 1 24 PRO HA 1 26 ASP H 4.500 . 5.500 4.546 4.334 4.792 . 0 0 "[ . 1 . 2 ]" 1 735 1 45 THR HA 1 47 GLU H 4.500 . 5.500 4.312 4.019 4.876 . 0 0 "[ . 1 . 2 ]" 1 736 1 46 TYR HA 1 48 SER H 4.500 . 4.500 4.244 3.909 4.418 . 0 0 "[ . 1 . 2 ]" 1 737 1 47 GLU HA 1 49 PHE H 4.500 . 5.500 3.683 3.296 3.848 . 0 0 "[ . 1 . 2 ]" 1 738 1 52 ARG HA 1 54 LEU H 4.500 . 4.500 3.477 2.937 4.144 . 0 0 "[ . 1 . 2 ]" 1 739 1 55 PRO HA 1 57 ARG H 3.500 . 4.500 3.261 3.147 3.358 . 0 0 "[ . 1 . 2 ]" 1 740 1 65 GLN HA 1 67 ASP H 4.500 . 5.500 3.825 3.728 3.944 . 0 0 "[ . 1 . 2 ]" 1 741 1 66 GLU HA 1 68 TYR H 4.500 . 4.500 4.076 3.695 4.317 . 0 0 "[ . 1 . 2 ]" 1 742 1 71 GLN HA 1 73 ALA H 4.500 . 4.500 3.781 3.585 4.081 . 0 0 "[ . 1 . 2 ]" 1 743 1 76 VAL HA 1 78 ASP H 3.500 . 4.500 4.201 4.073 4.477 . 0 0 "[ . 1 . 2 ]" 1 744 1 79 VAL HA 1 81 ALA H 4.500 . 5.500 4.177 3.991 4.220 . 0 0 "[ . 1 . 2 ]" 1 745 1 84 ALA HA 1 86 ALA H 4.500 . 5.500 4.340 4.213 4.528 . 0 0 "[ . 1 . 2 ]" 1 746 1 86 ALA HA 1 88 GLN H 4.500 . 5.500 4.351 4.114 4.576 . 0 0 "[ . 1 . 2 ]" 1 747 1 89 HIS HA 1 91 ASP H 3.500 . 4.500 3.324 3.295 3.342 . 0 0 "[ . 1 . 2 ]" 1 748 1 102 ILE HA 1 104 THR H 4.500 . 5.500 4.691 4.418 4.891 . 0 0 "[ . 1 . 2 ]" 1 749 1 104 THR HA 1 106 PHE H 5.500 . 6.500 4.209 3.911 4.676 . 0 0 "[ . 1 . 2 ]" 1 750 1 106 PHE HA 1 108 ASP H 4.500 . 5.500 3.488 3.348 3.640 . 0 0 "[ . 1 . 2 ]" 1 751 1 107 LYS HA 1 109 ASP H 4.500 . 5.500 3.767 3.273 4.537 . 0 0 "[ . 1 . 2 ]" 1 752 1 108 ASP HA 1 110 VAL H 5.500 . 6.500 4.127 3.801 4.571 . 0 0 "[ . 1 . 2 ]" 1 753 1 118 LEU HA 1 120 GLY H 4.500 . 5.500 3.965 3.839 4.136 . 0 0 "[ . 1 . 2 ]" 1 754 1 132 ASN HA 1 134 ASP H 3.500 . 4.500 3.204 3.145 3.234 . 0 0 "[ . 1 . 2 ]" 1 755 1 133 TRP HA 1 135 ASP H 3.500 . 4.500 3.495 3.155 3.795 . 0 0 "[ . 1 . 2 ]" 1 756 1 134 ASP HA 1 136 PHE H 5.500 . 5.500 3.805 3.539 4.548 . 0 0 "[ . 1 . 2 ]" 1 757 1 146 ASP HA 1 148 ASN H 5.500 . 5.500 4.729 4.536 4.824 . 0 0 "[ . 1 . 2 ]" 1 758 1 148 ASN HA 1 150 ALA H 4.500 . 5.500 4.221 3.991 4.350 . 0 0 "[ . 1 . 2 ]" 1 759 1 8 ASP H 1 11 GLY H 4.500 . 5.500 4.415 4.141 4.513 . 0 0 "[ . 1 . 2 ]" 1 760 1 8 ASP H 1 12 LEU H 3.500 . 4.500 2.729 2.586 2.829 . 0 0 "[ . 1 . 2 ]" 1 761 1 15 LYS H 1 18 HIS H 4.500 . 4.500 4.417 4.365 4.509 0.009 12 0 "[ . 1 . 2 ]" 1 762 1 26 ASP H 1 29 TYR H 5.500 . 5.500 4.809 4.761 4.865 . 0 0 "[ . 1 . 2 ]" 1 763 1 27 LEU H 1 30 PHE H 5.500 . 5.500 5.036 4.930 5.223 . 0 0 "[ . 1 . 2 ]" 1 764 1 28 HIS H 1 31 ARG H 5.500 . 5.500 5.259 5.123 5.404 . 0 0 "[ . 1 . 2 ]" 1 765 1 30 PHE H 1 33 GLN H 5.500 . 5.500 4.729 4.629 5.090 . 0 0 "[ . 1 . 2 ]" 1 766 1 32 ALA H 1 35 VAL H 5.500 . 5.500 5.146 5.035 5.268 . 0 0 "[ . 1 . 2 ]" 1 767 1 43 ARG H 1 46 TYR H 5.500 . 5.500 4.574 4.503 4.660 . 0 0 "[ . 1 . 2 ]" 1 768 1 44 ARG H 1 47 GLU H 5.500 . 5.500 5.045 4.881 5.211 . 0 0 "[ . 1 . 2 ]" 1 769 1 45 THR H 1 48 SER H 5.500 . 5.500 4.675 4.576 4.769 . 0 0 "[ . 1 . 2 ]" 1 770 1 46 TYR H 1 49 PHE H 5.500 . 5.500 5.230 5.031 5.485 . 0 0 "[ . 1 . 2 ]" 1 771 1 65 GLN H 1 68 TYR H 5.500 . 5.500 5.253 4.809 5.497 . 0 0 "[ . 1 . 2 ]" 1 772 1 78 ASP H 1 81 ALA H 4.500 . 4.500 4.252 4.126 4.346 . 0 0 "[ . 1 . 2 ]" 1 773 1 79 VAL H 1 82 VAL H 5.500 . 5.500 5.000 4.959 5.032 . 0 0 "[ . 1 . 2 ]" 1 774 1 81 ALA H 1 84 ALA H 4.500 . 5.500 4.651 4.532 4.780 . 0 0 "[ . 1 . 2 ]" 1 775 1 82 VAL H 1 85 TYR H 4.500 . 5.500 4.910 4.811 5.034 . 0 0 "[ . 1 . 2 ]" 1 776 1 86 ALA H 1 89 HIS H 5.500 . 5.500 4.927 4.775 5.263 . 0 0 "[ . 1 . 2 ]" 1 777 1 15 LYS HA 1 18 HIS H 5.500 . 6.000 5.995 5.837 6.004 0.004 14 0 "[ . 1 . 2 ]" 1 778 1 24 PRO HA 1 27 LEU H 3.500 . 4.000 3.424 3.326 3.527 . 0 0 "[ . 1 . 2 ]" 1 779 1 26 ASP HA 1 29 TYR H 3.500 . 4.000 3.212 3.120 3.326 . 0 0 "[ . 1 . 2 ]" 1 780 1 27 LEU HA 1 30 PHE H 3.500 . 4.000 3.647 3.538 3.764 . 0 0 "[ . 1 . 2 ]" 1 781 1 28 HIS HA 1 31 ARG H 3.500 . 4.000 3.598 3.467 3.711 . 0 0 "[ . 1 . 2 ]" 1 782 1 30 PHE HA 1 33 GLN H 3.500 . 4.000 3.360 3.262 3.510 . 0 0 "[ . 1 . 2 ]" 1 783 1 43 ARG HA 1 46 TYR H 3.500 . 4.000 3.379 3.258 3.496 . 0 0 "[ . 1 . 2 ]" 1 784 1 44 ARG HA 1 47 GLU H 3.500 . 4.000 3.730 3.598 3.992 . 0 0 "[ . 1 . 2 ]" 1 785 1 45 THR HA 1 48 SER H 3.500 . 4.000 3.163 3.050 3.412 . 0 0 "[ . 1 . 2 ]" 1 786 1 46 TYR HA 1 49 PHE H 4.500 . 5.000 4.025 3.820 4.422 . 0 0 "[ . 1 . 2 ]" 1 787 1 79 VAL HA 1 82 VAL H 3.500 . 4.000 3.425 3.239 3.541 . 0 0 "[ . 1 . 2 ]" 1 788 1 80 ALA HA 1 83 PHE H 3.500 . 4.000 3.421 3.364 3.658 . 0 0 "[ . 1 . 2 ]" 1 789 1 81 ALA HA 1 84 ALA H 3.500 . 4.000 3.383 3.293 3.440 . 0 0 "[ . 1 . 2 ]" 1 790 1 82 VAL HA 1 85 TYR H 3.500 . 4.000 3.625 3.505 3.741 . 0 0 "[ . 1 . 2 ]" 1 791 1 83 PHE HA 1 86 ALA H 3.500 . 4.000 3.299 3.108 3.374 . 0 0 "[ . 1 . 2 ]" 1 792 1 84 ALA HA 1 87 LYS H 3.500 . 4.000 3.461 3.351 3.708 . 0 0 "[ . 1 . 2 ]" 1 793 1 86 ALA HA 1 89 HIS H 3.500 . 4.000 3.332 3.203 3.686 . 0 0 "[ . 1 . 2 ]" 1 794 1 101 GLN HA 1 104 THR H 3.500 . 4.000 3.727 3.542 3.884 . 0 0 "[ . 1 . 2 ]" 1 795 1 102 ILE HA 1 105 ALA H 3.500 . 4.000 3.398 3.313 3.469 . 0 0 "[ . 1 . 2 ]" 1 796 1 104 THR HA 1 107 LYS H 3.500 . 4.000 3.276 3.159 3.476 . 0 0 "[ . 1 . 2 ]" 1 797 1 107 LYS HA 1 110 VAL H 4.500 . 5.500 3.892 3.509 4.236 . 0 0 "[ . 1 . 2 ]" 1 798 1 24 PRO HA 1 27 LEU HB2 2.500 . 3.000 2.626 2.367 2.795 . 0 0 "[ . 1 . 2 ]" 1 799 1 25 ASP HA 1 28 HIS QB 3.500 . 4.000 2.793 2.690 2.933 . 0 0 "[ . 1 . 2 ]" 1 800 1 26 ASP HA 1 29 TYR QB 3.500 . 4.500 2.712 2.613 2.851 . 0 0 "[ . 1 . 2 ]" 1 801 1 27 LEU HA 1 27 LEU HB3 2.500 . 3.000 2.494 2.461 2.583 . 0 0 "[ . 1 . 2 ]" 1 802 1 28 HIS HA 1 31 ARG QB 3.500 . 4.500 3.459 3.256 3.584 . 0 0 "[ . 1 . 2 ]" 1 803 1 29 TYR HA 1 32 ALA MB 3.500 . 4.500 2.487 2.354 2.628 . 0 0 "[ . 1 . 2 ]" 1 804 1 30 PHE HA 1 33 GLN QB 3.500 . 4.500 2.998 2.791 3.701 . 0 0 "[ . 1 . 2 ]" 1 805 1 43 ARG HA 1 46 TYR QB 3.500 . 4.500 2.571 2.408 2.793 . 0 0 "[ . 1 . 2 ]" 1 806 1 44 ARG HA 1 47 GLU QB 3.500 . 4.500 3.400 3.141 3.587 . 0 0 "[ . 1 . 2 ]" 1 807 1 45 THR HA 1 48 SER QB 3.500 . 4.500 2.303 1.993 2.694 . 0 0 "[ . 1 . 2 ]" 1 808 1 79 VAL HA 1 82 VAL HB 3.500 . 3.500 3.231 2.991 3.418 . 0 0 "[ . 1 . 2 ]" 1 809 1 80 ALA HA 1 83 PHE HB2 3.500 . 3.500 2.767 2.627 3.006 . 0 0 "[ . 1 . 2 ]" 1 810 1 81 ALA HA 1 84 ALA MB 3.500 . 4.500 2.469 2.211 2.701 . 0 0 "[ . 1 . 2 ]" 1 811 1 82 VAL HA 1 85 TYR QB 3.500 . 4.500 3.227 3.023 3.381 . 0 0 "[ . 1 . 2 ]" 1 812 1 83 PHE HA 1 86 ALA MB 3.500 . 4.500 2.631 2.455 2.819 . 0 0 "[ . 1 . 2 ]" 1 813 1 84 ALA HA 1 87 LYS QB 3.500 . 4.500 2.816 2.469 3.791 . 0 0 "[ . 1 . 2 ]" 1 814 1 85 TYR HA 1 88 GLN QB 3.500 . 4.500 3.235 2.995 3.907 . 0 0 "[ . 1 . 2 ]" 1 815 1 86 ALA HA 1 89 HIS QB 3.500 . 4.500 3.209 2.901 3.590 . 0 0 "[ . 1 . 2 ]" 1 816 1 102 ILE HA 1 105 ALA MB 3.500 . 4.500 2.353 2.116 2.454 . 0 0 "[ . 1 . 2 ]" 1 817 1 103 PHE HA 1 106 PHE HB2 3.500 . 4.000 3.572 3.277 3.906 . 0 0 "[ . 1 . 2 ]" 1 818 1 104 THR HA 1 107 LYS QB 3.500 . 4.500 2.063 1.954 2.401 . 0 0 "[ . 1 . 2 ]" 1 819 1 24 PRO HA 1 28 HIS H 4.500 . 5.500 4.532 4.424 4.659 . 0 0 "[ . 1 . 2 ]" 1 820 1 26 ASP HA 1 30 PHE H 4.500 . 5.500 4.488 4.352 4.714 . 0 0 "[ . 1 . 2 ]" 1 821 1 27 LEU HA 1 31 ARG H 4.500 . 5.500 5.019 4.741 5.436 . 0 0 "[ . 1 . 2 ]" 1 822 1 28 HIS HA 1 32 ALA H 4.500 . 5.500 4.853 4.534 5.331 . 0 0 "[ . 1 . 2 ]" 1 823 1 29 TYR HA 1 33 GLN H 4.500 . 5.500 4.305 4.132 4.689 . 0 0 "[ . 1 . 2 ]" 1 824 1 31 ARG HA 1 35 VAL H 4.500 . 5.500 4.204 4.052 4.379 . 0 0 "[ . 1 . 2 ]" 1 825 1 80 ALA HA 1 84 ALA H 4.500 . 5.500 4.118 3.889 4.323 . 0 0 "[ . 1 . 2 ]" 1 826 1 81 ALA HA 1 85 TYR H 4.500 . 5.500 4.317 4.097 4.523 . 0 0 "[ . 1 . 2 ]" 1 827 1 82 VAL HA 1 86 ALA H 4.500 . 5.500 4.635 4.451 4.747 . 0 0 "[ . 1 . 2 ]" 1 828 1 3 PHE HA 1 5 TRP HE3 4.500 . 4.500 4.169 3.946 4.482 . 0 0 "[ . 1 . 2 ]" 1 829 1 3 PHE HB3 1 5 TRP HE3 3.500 . 3.500 2.774 2.616 2.901 . 0 0 "[ . 1 . 2 ]" 1 830 1 3 PHE HB3 1 5 TRP HZ3 2.500 . 2.500 1.986 1.982 1.992 . 0 0 "[ . 1 . 2 ]" 1 831 1 3 PHE HB2 1 5 TRP HZ3 3.500 . 3.500 2.569 2.305 3.046 . 0 0 "[ . 1 . 2 ]" 1 832 1 5 TRP HD1 1 7 GLN H 4.500 . 4.500 4.134 3.519 4.286 . 0 0 "[ . 1 . 2 ]" 1 833 1 5 TRP HD1 1 7 GLN HA 5.500 . 5.500 4.348 4.110 4.442 . 0 0 "[ . 1 . 2 ]" 1 834 1 5 TRP HD1 1 7 GLN HB3 3.500 . 3.500 2.272 2.116 2.396 . 0 0 "[ . 1 . 2 ]" 1 835 1 5 TRP HD1 1 7 GLN HB2 5.500 . 5.500 3.920 3.713 4.054 . 0 0 "[ . 1 . 2 ]" 1 836 1 5 TRP HE1 1 7 GLN HB3 3.500 . 3.500 3.426 3.226 3.506 0.006 9 0 "[ . 1 . 2 ]" 1 837 1 5 TRP HE1 1 7 GLN HB2 5.500 . 5.500 4.226 4.030 4.351 . 0 0 "[ . 1 . 2 ]" 1 838 1 5 TRP HE1 1 7 GLN QG 3.500 . 4.500 2.394 1.936 2.683 . 0 0 "[ . 1 . 2 ]" 1 839 1 7 GLN QE 1 11 GLY H 4.500 . 5.500 4.491 3.531 4.952 . 0 0 "[ . 1 . 2 ]" 1 840 1 7 GLN QE 1 11 GLY QA 4.500 . 6.500 3.909 2.792 4.837 . 0 0 "[ . 1 . 2 ]" 1 841 1 8 ASP H 1 12 LEU HB3 4.500 . 4.500 3.097 2.915 3.406 . 0 0 "[ . 1 . 2 ]" 1 842 1 8 ASP H 1 12 LEU HB2 5.500 . 5.500 4.165 3.902 4.730 . 0 0 "[ . 1 . 2 ]" 1 843 1 8 ASP QB 1 12 LEU MD2 5.500 . 7.500 4.473 4.279 4.648 . 0 0 "[ . 1 . 2 ]" 1 844 1 12 LEU HG 1 14 GLY H 4.500 . 4.500 2.499 2.174 2.766 . 0 0 "[ . 1 . 2 ]" 1 845 1 12 LEU QB 1 14 GLY H 5.500 . 5.500 4.199 4.062 4.526 . 0 0 "[ . 1 . 2 ]" 1 846 1 12 LEU MD1 1 14 GLY H 5.500 . 6.500 3.886 3.529 4.124 . 0 0 "[ . 1 . 2 ]" 1 847 1 12 LEU MD2 1 14 GLY H 4.500 . 5.500 3.497 3.104 3.741 . 0 0 "[ . 1 . 2 ]" 1 848 1 15 LYS H 1 19 LEU HA 4.500 . 4.500 3.183 2.896 3.645 . 0 0 "[ . 1 . 2 ]" 1 849 1 15 LYS QB 1 18 HIS HE1 5.500 . 5.500 3.745 3.389 4.314 . 0 0 "[ . 1 . 2 ]" 1 850 1 15 LYS QG 1 18 HIS HE1 5.500 . 5.500 4.549 4.028 4.897 . 0 0 "[ . 1 . 2 ]" 1 851 1 16 ASP HB3 1 18 HIS HD2 4.500 . 4.500 3.166 2.472 3.694 . 0 0 "[ . 1 . 2 ]" 1 852 1 16 ASP HB2 1 18 HIS HD2 5.500 . 5.500 4.000 3.490 4.478 . 0 0 "[ . 1 . 2 ]" 1 853 1 16 ASP HB3 1 18 HIS HE1 5.500 . 5.500 4.288 4.043 4.787 . 0 0 "[ . 1 . 2 ]" 1 854 1 18 HIS HE1 1 20 PRO HA 5.500 . 5.500 3.930 3.666 4.118 . 0 0 "[ . 1 . 2 ]" 1 855 1 19 LEU HG 1 21 TRP H 5.500 . 5.500 5.498 5.483 5.505 0.005 12 0 "[ . 1 . 2 ]" 1 856 1 19 LEU HB3 1 21 TRP H 2.500 . 3.000 2.578 2.537 2.748 . 0 0 "[ . 1 . 2 ]" 1 857 1 19 LEU HB3 1 21 TRP HD1 4.500 . 4.500 4.243 4.065 4.349 . 0 0 "[ . 1 . 2 ]" 1 858 1 21 TRP HD1 1 23 LEU HA 4.400 . 4.400 4.222 4.053 4.331 . 0 0 "[ . 1 . 2 ]" 1 859 1 21 TRP HD1 1 23 LEU HB3 3.500 . 4.500 3.339 3.117 3.693 . 0 0 "[ . 1 . 2 ]" 1 860 1 21 TRP HD1 1 23 LEU HB2 3.500 . 4.500 2.442 2.213 2.641 . 0 0 "[ . 1 . 2 ]" 1 861 1 21 TRP HD1 1 23 LEU MD1 4.500 . 5.500 4.088 3.812 4.324 . 0 0 "[ . 1 . 2 ]" 1 862 1 21 TRP HD1 1 23 LEU MD2 4.500 . 5.500 4.135 3.885 4.376 . 0 0 "[ . 1 . 2 ]" 1 863 1 21 TRP HD1 1 23 LEU H 3.500 . 3.500 2.608 2.129 2.994 . 0 0 "[ . 1 . 2 ]" 1 864 1 21 TRP HD1 1 23 LEU HG 5.500 . 5.500 5.359 5.159 5.502 0.002 8 0 "[ . 1 . 2 ]" 1 865 1 22 HIS HD2 1 24 PRO QB 4.500 . 5.500 4.692 4.508 4.838 . 0 0 "[ . 1 . 2 ]" 1 866 1 22 HIS HD2 1 24 PRO QG 3.500 . 4.500 3.022 2.862 3.187 . 0 0 "[ . 1 . 2 ]" 1 867 1 22 HIS HD2 1 24 PRO QD 4.500 . 5.500 2.679 2.531 2.921 . 0 0 "[ . 1 . 2 ]" 1 868 1 22 HIS HE1 1 24 PRO QB 5.500 . 6.500 5.148 4.857 5.291 . 0 0 "[ . 1 . 2 ]" 1 869 1 22 HIS HE1 1 24 PRO QG 5.500 . 6.500 5.018 4.768 5.219 . 0 0 "[ . 1 . 2 ]" 1 870 1 23 LEU H 1 27 LEU HG 4.500 . 4.500 3.887 3.497 4.244 . 0 0 "[ . 1 . 2 ]" 1 871 1 23 LEU H 1 27 LEU MD1 6.500 . 6.500 3.597 3.124 4.061 . 0 0 "[ . 1 . 2 ]" 1 872 1 23 LEU QB 1 26 ASP H 4.500 . 5.500 3.061 3.015 3.106 . 0 0 "[ . 1 . 2 ]" 1 873 1 23 LEU HG 1 25 ASP H 5.500 . 5.500 2.901 2.782 3.077 . 0 0 "[ . 1 . 2 ]" 1 874 1 23 LEU HG 1 26 ASP H 3.500 . 3.500 2.093 1.980 2.285 . 0 0 "[ . 1 . 2 ]" 1 875 1 23 LEU HG 1 27 LEU H 4.500 . 4.500 4.356 4.292 4.435 . 0 0 "[ . 1 . 2 ]" 1 876 1 23 LEU HG 1 26 ASP HB3 3.500 . 3.500 3.500 3.487 3.505 0.005 14 0 "[ . 1 . 2 ]" 1 877 1 23 LEU HG 1 26 ASP HB2 3.500 . 3.500 3.045 2.926 3.209 . 0 0 "[ . 1 . 2 ]" 1 878 1 23 LEU MD1 1 25 ASP H 4.500 . 5.500 3.472 3.244 3.827 . 0 0 "[ . 1 . 2 ]" 1 879 1 23 LEU MD1 1 26 ASP H 4.500 . 5.500 3.821 3.710 3.997 . 0 0 "[ . 1 . 2 ]" 1 880 1 23 LEU MD2 1 26 ASP H 4.500 . 5.500 2.978 2.902 3.067 . 0 0 "[ . 1 . 2 ]" 1 881 1 23 LEU MD2 1 26 ASP HB3 3.500 . 4.500 2.851 2.560 3.047 . 0 0 "[ . 1 . 2 ]" 1 882 1 23 LEU MD2 1 26 ASP HB2 4.500 . 5.500 1.907 1.896 1.915 . 0 0 "[ . 1 . 2 ]" 1 883 1 24 PRO HA 1 27 LEU HG 4.500 . 4.500 3.322 3.085 3.745 . 0 0 "[ . 1 . 2 ]" 1 884 1 24 PRO HA 1 27 LEU MD1 3.500 . 4.500 2.204 1.970 2.442 . 0 0 "[ . 1 . 2 ]" 1 885 1 24 PRO QG 1 27 LEU MD1 4.500 . 6.500 4.359 4.145 4.513 . 0 0 "[ . 1 . 2 ]" 1 886 1 25 ASP HA 1 28 HIS HD2 3.500 . 3.500 2.803 2.616 3.036 . 0 0 "[ . 1 . 2 ]" 1 887 1 30 PHE H 1 32 ALA MB 5.500 . 6.500 4.667 4.459 4.751 . 0 0 "[ . 1 . 2 ]" 1 888 1 30 PHE HZ 1 34 THR MG 4.500 . 5.500 3.133 2.948 3.329 . 0 0 "[ . 1 . 2 ]" 1 889 1 31 ARG HA 1 34 THR HG1 3.500 . 3.500 1.952 1.725 2.450 . 0 0 "[ . 1 . 2 ]" 1 890 1 39 MET ME 1 41 VAL MG1 3.500 . 4.500 2.518 1.967 2.898 . 0 0 "[ . 1 . 2 ]" 1 891 1 39 MET ME 1 41 VAL MG2 3.500 . 4.500 2.497 2.227 2.735 . 0 0 "[ . 1 . 2 ]" 1 892 1 41 VAL HA 1 45 THR HB 5.500 . 5.500 3.942 3.666 4.281 . 0 0 "[ . 1 . 2 ]" 1 893 1 41 VAL HB 1 45 THR H 4.500 . 4.500 4.398 4.331 4.451 . 0 0 "[ . 1 . 2 ]" 1 894 1 41 VAL HB 1 45 THR HB 2.500 . 2.500 2.008 1.996 2.052 . 0 0 "[ . 1 . 2 ]" 1 895 1 49 PHE QB 1 51 LYS H 4.500 . 5.500 3.659 3.371 3.814 . 0 0 "[ . 1 . 2 ]" 1 896 1 54 LEU H 1 59 ASN QD 3.500 . 4.500 2.773 2.147 3.372 . 0 0 "[ . 1 . 2 ]" 1 897 1 54 LEU QB 1 57 ARG HE 3.500 . 4.500 3.555 2.382 3.868 . 0 0 "[ . 1 . 2 ]" 1 898 1 54 LEU MD1 1 57 ARG HE 5.500 . 7.500 5.007 4.143 5.427 . 0 0 "[ . 1 . 2 ]" 1 899 1 54 LEU MD1 1 57 ARG QD 4.500 . 6.500 2.702 2.319 3.001 . 0 0 "[ . 1 . 2 ]" 1 900 1 57 ARG H 1 59 ASN QD 4.500 . 5.500 4.463 4.045 4.810 . 0 0 "[ . 1 . 2 ]" 1 901 1 58 THR MG 1 60 VAL MG2 3.500 . 5.500 2.367 2.152 2.641 . 0 0 "[ . 1 . 2 ]" 1 902 1 58 THR MG 1 60 VAL H 5.500 . 5.500 4.141 3.734 4.326 . 0 0 "[ . 1 . 2 ]" 1 903 1 61 VAL MG1 1 63 THR HB 4.500 . 5.500 3.014 2.851 3.153 . 0 0 "[ . 1 . 2 ]" 1 904 1 61 VAL MG1 1 63 THR MG 4.500 . 6.500 3.011 2.693 3.440 . 0 0 "[ . 1 . 2 ]" 1 905 1 63 THR MG 1 68 TYR H 4.500 . 5.500 4.048 3.719 4.350 . 0 0 "[ . 1 . 2 ]" 1 906 1 70 ALA MB 1 73 ALA HA 5.500 . 6.500 4.589 4.374 4.965 . 0 0 "[ . 1 . 2 ]" 1 907 1 70 ALA H 1 75 VAL HB 5.500 . 5.500 4.560 4.015 5.281 . 0 0 "[ . 1 . 2 ]" 1 908 1 73 ALA MB 1 75 VAL H 5.500 . 5.500 4.252 4.059 4.444 . 0 0 "[ . 1 . 2 ]" 1 909 1 75 VAL MG1 1 77 HIS HE1 3.500 . 4.500 3.013 2.635 3.741 . 0 0 "[ . 1 . 2 ]" 1 910 1 75 VAL HB 1 77 HIS HE1 5.500 . 6.500 5.314 4.842 6.323 . 0 0 "[ . 1 . 2 ]" 1 911 1 76 VAL HB 1 78 ASP H 3.500 . 3.500 2.736 2.699 2.767 . 0 0 "[ . 1 . 2 ]" 1 912 1 76 VAL HB 1 81 ALA H 5.500 . 5.500 4.918 4.661 5.102 . 0 0 "[ . 1 . 2 ]" 1 913 1 76 VAL MG2 1 78 ASP H 4.500 . 5.500 3.268 2.778 3.433 . 0 0 "[ . 1 . 2 ]" 1 914 1 76 VAL MG2 1 81 ALA MB 5.500 . 6.500 3.756 2.739 3.996 . 0 0 "[ . 1 . 2 ]" 1 915 1 77 HIS H 1 81 ALA MB 4.500 . 5.500 3.065 2.826 3.340 . 0 0 "[ . 1 . 2 ]" 1 916 1 78 ASP QB 1 81 ALA H 6.500 . 6.500 2.331 2.199 3.278 . 0 0 "[ . 1 . 2 ]" 1 917 1 78 ASP QB 1 80 ALA H 4.500 . 5.500 3.150 2.572 3.362 . 0 0 "[ . 1 . 2 ]" 1 918 1 78 ASP H 1 81 ALA MB 3.500 . 4.500 2.947 2.737 3.092 . 0 0 "[ . 1 . 2 ]" 1 919 1 79 VAL HA 1 82 VAL MG2 3.500 . 4.500 2.577 2.388 2.787 . 0 0 "[ . 1 . 2 ]" 1 920 1 82 VAL HB 1 84 ALA H 5.500 . 5.500 4.841 4.695 4.973 . 0 0 "[ . 1 . 2 ]" 1 921 1 82 VAL MG1 1 85 TYR H 5.500 . 6.500 4.730 4.606 4.883 . 0 0 "[ . 1 . 2 ]" 1 922 1 84 ALA MB 1 86 ALA H 5.500 . 6.500 4.497 4.428 4.593 . 0 0 "[ . 1 . 2 ]" 1 923 1 84 ALA H 1 87 LYS QB 5.500 . 6.500 5.058 4.673 5.618 . 0 0 "[ . 1 . 2 ]" 1 924 1 84 ALA HA 1 87 LYS QD 3.500 . 4.500 3.068 1.964 3.812 . 0 0 "[ . 1 . 2 ]" 1 925 1 86 ALA HA 1 89 HIS HD2 5.500 . 6.500 5.664 5.284 6.461 . 0 0 "[ . 1 . 2 ]" 1 926 1 89 HIS QB 1 92 GLN H 4.500 . 5.500 3.041 2.806 3.269 . 0 0 "[ . 1 . 2 ]" 1 927 1 94 LEU HG 1 96 ILE MD 4.500 . 5.500 3.174 2.469 4.131 . 0 0 "[ . 1 . 2 ]" 1 928 1 96 ILE MG 1 98 GLY H 3.500 . 4.500 2.612 2.399 2.852 . 0 0 "[ . 1 . 2 ]" 1 929 1 98 GLY H 1 102 ILE QG 4.500 . 5.500 4.251 3.899 4.446 . 0 0 "[ . 1 . 2 ]" 1 930 1 98 GLY H 1 102 ILE MG 4.500 . 5.500 3.619 3.503 3.840 . 0 0 "[ . 1 . 2 ]" 1 931 1 100 ALA MB 1 103 PHE H 5.500 . 6.500 4.605 4.523 4.670 . 0 0 "[ . 1 . 2 ]" 1 932 1 102 ILE MG 1 106 PHE H 4.500 . 5.500 4.227 4.013 4.424 . 0 0 "[ . 1 . 2 ]" 1 933 1 104 THR H 1 107 LYS QB 6.500 . 6.500 4.342 4.188 4.628 . 0 0 "[ . 1 . 2 ]" 1 934 1 107 LYS QB 1 109 ASP H 6.500 . 6.500 4.714 4.353 5.369 . 0 0 "[ . 1 . 2 ]" 1 935 1 116 THR HB 1 118 LEU MD1 4.500 . 5.500 3.504 3.235 3.646 . 0 0 "[ . 1 . 2 ]" 1 936 1 116 THR MG 1 118 LEU MD1 2.500 . 4.500 2.180 2.047 2.376 . 0 0 "[ . 1 . 2 ]" 1 937 1 118 LEU HB3 1 120 GLY H 3.500 . 3.500 2.863 2.709 2.990 . 0 0 "[ . 1 . 2 ]" 1 938 1 118 LEU HB2 1 120 GLY H 5.500 . 5.500 4.534 4.369 4.668 . 0 0 "[ . 1 . 2 ]" 1 939 1 118 LEU MD2 1 122 PHE HZ 4.500 . 5.500 4.228 3.890 4.408 . 0 0 "[ . 1 . 2 ]" 1 940 1 128 MET ME 1 131 LEU MD1 2.500 . 4.500 2.479 2.256 2.763 . 0 0 "[ . 1 . 2 ]" 1 941 1 128 MET ME 1 131 LEU MD2 3.500 . 5.500 3.111 2.435 3.541 . 0 0 "[ . 1 . 2 ]" 1 942 1 130 PRO HA 1 133 TRP HE1 5.500 . 5.500 4.854 4.468 5.180 . 0 0 "[ . 1 . 2 ]" 1 943 1 131 LEU H 1 133 TRP HE1 4.500 . 4.500 3.284 2.986 3.545 . 0 0 "[ . 1 . 2 ]" 1 944 1 131 LEU HB3 1 133 TRP HD1 5.500 . 5.500 4.874 4.565 5.089 . 0 0 "[ . 1 . 2 ]" 1 945 1 131 LEU HB2 1 133 TRP HD1 4.500 . 4.500 3.858 3.727 3.969 . 0 0 "[ . 1 . 2 ]" 1 946 1 131 LEU HB3 1 133 TRP HE1 5.500 . 6.000 4.145 3.820 4.342 . 0 0 "[ . 1 . 2 ]" 1 947 1 131 LEU HB2 1 133 TRP HE1 4.500 . 5.000 2.533 2.252 2.753 . 0 0 "[ . 1 . 2 ]" 1 948 1 131 LEU HB3 1 133 TRP H 5.500 . 5.500 4.543 4.341 4.721 . 0 0 "[ . 1 . 2 ]" 1 949 1 131 LEU HB2 1 133 TRP H 4.500 . 4.500 4.401 4.360 4.452 . 0 0 "[ . 1 . 2 ]" 1 950 1 131 LEU MD1 1 133 TRP HD1 5.500 . 6.500 5.268 5.196 5.306 . 0 0 "[ . 1 . 2 ]" 1 951 1 131 LEU MD1 1 133 TRP HZ2 3.500 . 4.500 2.505 2.295 2.843 . 0 0 "[ . 1 . 2 ]" 1 952 1 132 ASN HB3 1 135 ASP H 5.500 . 5.500 3.773 3.359 4.242 . 0 0 "[ . 1 . 2 ]" 1 953 1 133 TRP HE3 1 136 PHE HB3 5.500 . 5.500 3.996 3.494 4.405 . 0 0 "[ . 1 . 2 ]" 1 954 1 133 TRP HE3 1 136 PHE HB2 5.500 . 5.500 3.302 3.109 3.512 . 0 0 "[ . 1 . 2 ]" 1 955 1 138 LYS QG 1 140 SER H 4.500 . 5.500 2.819 2.592 3.058 . 0 0 "[ . 1 . 2 ]" 1 956 1 146 ASP HB3 1 148 ASN H 4.500 . 4.500 2.709 2.509 2.830 . 0 0 "[ . 1 . 2 ]" 1 957 1 146 ASP HB2 1 148 ASN H 5.500 . 5.500 4.448 4.263 4.543 . 0 0 "[ . 1 . 2 ]" 1 958 1 148 ASN QB 1 151 LEU H 5.500 . 6.500 2.499 2.237 2.639 . 0 0 "[ . 1 . 2 ]" 1 959 1 148 ASN QB 1 151 LEU MD1 4.500 . 5.500 2.112 1.923 2.328 . 0 0 "[ . 1 . 2 ]" 1 960 1 148 ASN QB 1 151 LEU QB 4.500 . 6.500 2.527 2.202 2.723 . 0 0 "[ . 1 . 2 ]" 1 961 1 148 ASN QD 1 150 ALA MB 3.500 . 6.000 3.720 2.068 4.287 . 0 0 "[ . 1 . 2 ]" 1 962 1 148 ASN QD 1 151 LEU MD1 4.500 . 6.500 4.120 3.395 4.559 . 0 0 "[ . 1 . 2 ]" 1 963 1 149 PRO HA 1 152 THR HG1 3.500 . 3.500 2.702 2.147 3.450 . 0 0 "[ . 1 . 2 ]" 1 964 1 154 THR MG 1 156 GLU H 5.500 . 5.500 3.962 3.822 4.116 . 0 0 "[ . 1 . 2 ]" 1 965 1 156 GLU HA 1 158 TRP HE1 5.500 . 5.500 4.185 4.010 4.492 . 0 0 "[ . 1 . 2 ]" 1 966 1 156 GLU HB3 1 158 TRP HD1 4.500 . 4.500 2.786 2.598 3.046 . 0 0 "[ . 1 . 2 ]" 1 967 1 156 GLU HB2 1 158 TRP HD1 4.500 . 4.500 3.729 3.389 3.974 . 0 0 "[ . 1 . 2 ]" 1 968 1 156 GLU HB3 1 158 TRP HE1 2.500 . 2.500 1.795 1.696 2.057 . 0 0 "[ . 1 . 2 ]" 1 969 1 156 GLU HB2 1 158 TRP HE1 3.500 . 3.500 3.120 2.780 3.323 . 0 0 "[ . 1 . 2 ]" 1 970 1 3 PHE QD 1 4 LEU H 5.500 . 5.500 4.084 3.814 4.446 . 0 0 "[ . 1 . 2 ]" 1 971 1 18 HIS HA 1 19 LEU QD 5.500 . 5.500 4.432 4.103 4.607 . 0 0 "[ . 1 . 2 ]" 1 972 1 23 LEU HA 1 24 PRO QD 2.500 . 2.500 1.971 1.958 1.986 . 0 0 "[ . 1 . 2 ]" 1 973 1 29 TYR QD 1 30 PHE H 4.500 . 5.000 4.400 4.343 4.470 . 0 0 "[ . 1 . 2 ]" 1 974 1 29 TYR QD 1 30 PHE HA 5.500 . 5.500 4.358 4.260 4.465 . 0 0 "[ . 1 . 2 ]" 1 975 1 30 PHE QD 1 31 ARG H 5.500 . 5.500 3.683 3.538 3.775 . 0 0 "[ . 1 . 2 ]" 1 976 1 30 PHE QD 1 31 ARG HA 5.500 . 5.500 3.682 3.383 3.979 . 0 0 "[ . 1 . 2 ]" 1 977 1 35 VAL QG 1 36 GLY H 4.500 . 5.000 3.572 3.510 3.601 . 0 0 "[ . 1 . 2 ]" 1 978 1 46 TYR QD 1 47 GLU H 5.500 . 5.500 3.976 3.420 4.378 . 0 0 "[ . 1 . 2 ]" 1 979 1 46 TYR QD 1 47 GLU HA 5.500 . 5.500 4.092 3.761 4.451 . 0 0 "[ . 1 . 2 ]" 1 980 1 46 TYR QD 1 47 GLU QG 4.500 . 4.500 3.076 2.802 3.499 . 0 0 "[ . 1 . 2 ]" 1 981 1 49 PHE QD 1 50 PRO QD 5.500 . 5.500 2.489 1.968 2.961 . 0 0 "[ . 1 . 2 ]" 1 982 1 68 TYR QD 1 69 GLN H 4.500 . 4.500 3.235 2.935 3.569 . 0 0 "[ . 1 . 2 ]" 1 983 1 68 TYR QE 1 69 GLN H 5.500 . 5.500 4.098 3.794 4.553 . 0 0 "[ . 1 . 2 ]" 1 984 1 79 VAL QG 1 80 ALA H 5.500 . 5.500 3.336 3.311 3.375 . 0 0 "[ . 1 . 2 ]" 1 985 1 83 PHE QD 1 84 ALA H 5.500 . 5.500 4.553 4.499 4.651 . 0 0 "[ . 1 . 2 ]" 1 986 1 85 TYR QD 1 86 ALA H 5.500 . 5.500 3.831 3.647 4.183 . 0 0 "[ . 1 . 2 ]" 1 987 1 94 LEU QD 1 95 VAL H 4.500 . 4.500 2.903 2.003 3.325 . 0 0 "[ . 1 . 2 ]" 1 988 1 98 GLY QA 1 99 GLY QA 3.500 . 3.500 1.983 1.952 2.002 . 0 0 "[ . 1 . 2 ]" 1 989 1 103 PHE QD 1 104 THR H 5.500 . 5.500 4.315 4.253 4.439 . 0 0 "[ . 1 . 2 ]" 1 990 1 105 ALA MB 1 106 PHE QD 5.500 . 5.500 2.697 2.096 3.218 . 0 0 "[ . 1 . 2 ]" 1 991 1 107 LYS QD 1 108 ASP H 5.500 . 5.500 4.078 2.480 5.401 . 0 0 "[ . 1 . 2 ]" 1 992 1 114 LEU HA 1 115 VAL QG 5.500 . 5.500 3.677 3.609 3.728 . 0 0 "[ . 1 . 2 ]" 1 993 1 115 VAL QG 1 116 THR H 3.500 . 3.500 2.399 2.214 2.538 . 0 0 "[ . 1 . 2 ]" 1 994 1 121 SER HA 1 122 PHE QD 4.500 . 4.500 3.688 3.387 4.097 . 0 0 "[ . 1 . 2 ]" 1 995 1 135 ASP H 1 136 PHE QE 5.500 . 5.500 4.671 4.299 5.135 . 0 0 "[ . 1 . 2 ]" 1 996 1 135 ASP H 1 136 PHE QD 3.500 . 3.500 3.201 2.746 3.465 . 0 0 "[ . 1 . 2 ]" 1 997 1 136 PHE QD 1 137 THR H 4.500 . 4.500 3.316 3.034 3.696 . 0 0 "[ . 1 . 2 ]" 1 998 1 139 VAL QG 1 140 SER H 4.500 . 4.500 2.070 1.976 2.150 . 0 0 "[ . 1 . 2 ]" 1 999 1 155 TYR QD 1 156 GLU H 5.500 . 5.500 4.570 4.377 4.732 . 0 0 "[ . 1 . 2 ]" 1 1000 1 157 VAL QG 1 158 TRP H 4.500 . 4.500 3.107 2.936 3.251 . 0 0 "[ . 1 . 2 ]" 1 1001 1 157 VAL QG 1 158 TRP HD1 5.500 . 6.500 4.238 4.147 4.357 . 0 0 "[ . 1 . 2 ]" 1 1002 1 4 LEU H 1 5 TRP H 5.500 . 5.500 3.890 3.718 4.076 . 0 0 "[ . 1 . 2 ]" 1 1003 1 5 TRP H 1 6 ALA H 5.500 . 5.500 4.379 4.232 4.424 . 0 0 "[ . 1 . 2 ]" 1 1004 1 6 ALA H 1 7 GLN H 4.500 . 4.500 4.362 4.279 4.404 . 0 0 "[ . 1 . 2 ]" 1 1005 1 7 GLN H 1 8 ASP H 5.500 . 5.500 4.464 4.442 4.498 . 0 0 "[ . 1 . 2 ]" 1 1006 1 9 ARG H 1 10 ASP H 3.500 . 3.500 2.677 2.664 2.691 . 0 0 "[ . 1 . 2 ]" 1 1007 1 10 ASP H 1 11 GLY H 2.500 . 3.000 2.799 2.717 2.812 . 0 0 "[ . 1 . 2 ]" 1 1008 1 11 GLY H 1 12 LEU H 3.500 . 3.500 2.675 2.551 2.703 . 0 0 "[ . 1 . 2 ]" 1 1009 1 12 LEU H 1 13 ILE H 5.500 . 5.500 4.548 4.490 4.564 . 0 0 "[ . 1 . 2 ]" 1 1010 1 13 ILE H 1 14 GLY H 2.500 . 2.500 1.781 1.683 2.012 . 0 0 "[ . 1 . 2 ]" 1 1011 1 15 LYS H 1 16 ASP H 5.500 . 5.500 3.954 3.832 4.270 . 0 0 "[ . 1 . 2 ]" 1 1012 1 16 ASP H 1 17 GLY H 3.500 . 3.500 2.697 2.676 2.743 . 0 0 "[ . 1 . 2 ]" 1 1013 1 17 GLY H 1 18 HIS H 4.500 . 4.500 3.559 3.257 3.600 . 0 0 "[ . 1 . 2 ]" 1 1014 1 25 ASP H 1 26 ASP H 2.500 . 3.500 2.732 2.673 2.807 . 0 0 "[ . 1 . 2 ]" 1 1015 1 26 ASP H 1 27 LEU H 2.500 . 3.500 2.632 2.536 2.683 . 0 0 "[ . 1 . 2 ]" 1 1016 1 27 LEU H 1 28 HIS H 2.500 . 3.500 2.566 2.470 2.633 . 0 0 "[ . 1 . 2 ]" 1 1017 1 28 HIS H 1 29 TYR H 2.500 . 3.500 2.327 2.284 2.375 . 0 0 "[ . 1 . 2 ]" 1 1018 1 29 TYR H 1 30 PHE H 2.500 . 3.500 2.510 2.443 2.602 . 0 0 "[ . 1 . 2 ]" 1 1019 1 30 PHE H 1 31 ARG H 3.500 . 3.500 2.709 2.661 2.779 . 0 0 "[ . 1 . 2 ]" 1 1020 1 31 ARG H 1 32 ALA H 3.500 . 3.500 2.619 2.574 2.741 . 0 0 "[ . 1 . 2 ]" 1 1021 1 32 ALA H 1 33 GLN H 3.500 . 3.500 2.397 2.134 2.469 . 0 0 "[ . 1 . 2 ]" 1 1022 1 33 GLN H 1 34 THR H 2.500 . 3.000 2.865 2.721 2.912 . 0 0 "[ . 1 . 2 ]" 1 1023 1 34 THR H 1 35 VAL H 2.500 . 2.500 1.788 1.709 1.839 . 0 0 "[ . 1 . 2 ]" 1 1024 1 35 VAL H 1 36 GLY H 5.500 . 5.500 4.574 4.552 4.618 . 0 0 "[ . 1 . 2 ]" 1 1025 1 36 GLY H 1 37 LYS H 4.500 . 4.500 2.528 2.350 2.865 . 0 0 "[ . 1 . 2 ]" 1 1026 1 38 ILE H 1 39 MET H 5.500 . 5.500 4.321 4.169 4.528 . 0 0 "[ . 1 . 2 ]" 1 1027 1 41 VAL H 1 42 GLY H 5.500 . 5.500 4.443 4.395 4.481 . 0 0 "[ . 1 . 2 ]" 1 1028 1 43 ARG H 1 44 ARG H 3.500 . 3.500 2.445 2.366 2.583 . 0 0 "[ . 1 . 2 ]" 1 1029 1 44 ARG H 1 45 THR H 3.500 . 3.500 2.589 2.498 2.683 . 0 0 "[ . 1 . 2 ]" 1 1030 1 45 THR H 1 46 TYR H 3.500 . 3.500 2.463 2.367 2.550 . 0 0 "[ . 1 . 2 ]" 1 1031 1 46 TYR H 1 47 GLU H 3.500 . 3.500 2.673 2.563 2.863 . 0 0 "[ . 1 . 2 ]" 1 1032 1 47 GLU H 1 48 SER H 3.500 . 3.500 2.383 2.230 2.640 . 0 0 "[ . 1 . 2 ]" 1 1033 1 48 SER H 1 49 PHE H 3.500 . 3.500 2.640 2.611 2.762 . 0 0 "[ . 1 . 2 ]" 1 1034 1 51 LYS H 1 52 ARG H 5.500 . 5.500 3.979 3.520 4.552 . 0 0 "[ . 1 . 2 ]" 1 1035 1 56 GLU H 1 57 ARG H 3.500 . 3.500 2.662 2.647 2.680 . 0 0 "[ . 1 . 2 ]" 1 1036 1 57 ARG H 1 58 THR H 4.500 . 4.500 4.358 4.229 4.389 . 0 0 "[ . 1 . 2 ]" 1 1037 1 59 ASN H 1 60 VAL H 4.500 . 4.500 4.236 3.962 4.414 . 0 0 "[ . 1 . 2 ]" 1 1038 1 63 THR H 1 64 HIS H 5.500 . 5.500 4.384 4.237 4.450 . 0 0 "[ . 1 . 2 ]" 1 1039 1 66 GLU H 1 67 ASP H 3.500 . 3.500 2.931 2.393 3.002 . 0 0 "[ . 1 . 2 ]" 1 1040 1 67 ASP H 1 68 TYR H 2.500 . 2.500 2.092 1.767 2.451 . 0 0 "[ . 1 . 2 ]" 1 1041 1 68 TYR H 1 69 GLN H 5.500 . 5.500 4.648 4.555 4.684 . 0 0 "[ . 1 . 2 ]" 1 1042 1 69 GLN H 1 70 ALA H 4.500 . 4.500 4.089 3.775 4.489 . 0 0 "[ . 1 . 2 ]" 1 1043 1 70 ALA H 1 71 GLN H 4.500 . 4.500 4.361 4.066 4.483 . 0 0 "[ . 1 . 2 ]" 1 1044 1 72 GLY H 1 73 ALA H 4.500 . 4.500 2.522 2.381 2.636 . 0 0 "[ . 1 . 2 ]" 1 1045 1 73 ALA H 1 74 VAL H 4.500 . 4.500 4.303 4.193 4.391 . 0 0 "[ . 1 . 2 ]" 1 1046 1 74 VAL H 1 75 VAL H 4.500 . 4.500 4.230 4.091 4.335 . 0 0 "[ . 1 . 2 ]" 1 1047 1 75 VAL H 1 76 VAL H 4.500 . 4.500 4.283 4.173 4.470 . 0 0 "[ . 1 . 2 ]" 1 1048 1 77 HIS H 1 78 ASP H 3.500 . 3.500 2.299 2.204 2.396 . 0 0 "[ . 1 . 2 ]" 1 1049 1 78 ASP H 1 79 VAL H 4.500 . 4.500 4.277 4.222 4.323 . 0 0 "[ . 1 . 2 ]" 1 1050 1 80 ALA H 1 81 ALA H 3.500 . 3.500 2.566 2.520 2.610 . 0 0 "[ . 1 . 2 ]" 1 1051 1 81 ALA H 1 82 VAL H 3.500 . 3.500 2.595 2.475 2.639 . 0 0 "[ . 1 . 2 ]" 1 1052 1 82 VAL H 1 83 PHE H 3.500 . 3.500 2.620 2.571 2.682 . 0 0 "[ . 1 . 2 ]" 1 1053 1 83 PHE H 1 84 ALA H 3.500 . 3.500 2.505 2.407 2.555 . 0 0 "[ . 1 . 2 ]" 1 1054 1 84 ALA H 1 85 TYR H 3.500 . 3.500 2.619 2.567 2.650 . 0 0 "[ . 1 . 2 ]" 1 1055 1 85 TYR H 1 86 ALA H 3.500 . 3.500 2.549 2.283 2.659 . 0 0 "[ . 1 . 2 ]" 1 1056 1 86 ALA H 1 87 LYS H 3.500 . 3.500 2.538 2.443 2.577 . 0 0 "[ . 1 . 2 ]" 1 1057 1 87 LYS H 1 88 GLN H 3.500 . 3.500 2.651 2.579 2.715 . 0 0 "[ . 1 . 2 ]" 1 1058 1 88 GLN H 1 89 HIS H 3.500 . 3.500 2.580 2.484 2.726 . 0 0 "[ . 1 . 2 ]" 1 1059 1 91 ASP H 1 92 GLN H 3.500 . 3.500 2.492 2.057 2.628 . 0 0 "[ . 1 . 2 ]" 1 1060 1 92 GLN H 1 93 GLU H 5.500 . 5.500 4.535 4.511 4.567 . 0 0 "[ . 1 . 2 ]" 1 1061 1 94 LEU H 1 95 VAL H 5.500 . 5.500 4.526 4.345 4.624 . 0 0 "[ . 1 . 2 ]" 1 1062 1 95 VAL H 1 96 ILE H 5.500 . 5.500 4.282 4.086 4.442 . 0 0 "[ . 1 . 2 ]" 1 1063 1 96 ILE H 1 97 ALA H 5.500 . 5.500 4.472 4.377 4.581 . 0 0 "[ . 1 . 2 ]" 1 1064 1 97 ALA H 1 98 GLY H 2.500 . 2.500 2.034 1.892 2.151 . 0 0 "[ . 1 . 2 ]" 1 1065 1 101 GLN H 1 102 ILE H 3.500 . 3.500 2.523 2.470 2.599 . 0 0 "[ . 1 . 2 ]" 1 1066 1 102 ILE H 1 103 PHE H 3.500 . 3.500 2.504 2.443 2.571 . 0 0 "[ . 1 . 2 ]" 1 1067 1 103 PHE H 1 104 THR H 3.500 . 3.500 2.771 2.638 2.861 . 0 0 "[ . 1 . 2 ]" 1 1068 1 104 THR H 1 105 ALA H 3.500 . 3.500 2.619 2.530 2.662 . 0 0 "[ . 1 . 2 ]" 1 1069 1 105 ALA H 1 106 PHE H 3.500 . 3.500 2.559 2.363 2.732 . 0 0 "[ . 1 . 2 ]" 1 1070 1 106 PHE H 1 107 LYS H 3.500 . 3.500 2.430 2.291 2.606 . 0 0 "[ . 1 . 2 ]" 1 1071 1 107 LYS H 1 108 ASP H 3.500 . 3.500 2.564 2.450 2.670 . 0 0 "[ . 1 . 2 ]" 1 1072 1 108 ASP H 1 109 ASP H 3.500 . 3.500 2.758 2.602 3.033 . 0 0 "[ . 1 . 2 ]" 1 1073 1 109 ASP H 1 110 VAL H 3.500 . 3.500 2.560 2.083 3.178 . 0 0 "[ . 1 . 2 ]" 1 1074 1 110 VAL H 1 111 ASP H 5.500 . 5.500 4.613 4.568 4.654 . 0 0 "[ . 1 . 2 ]" 1 1075 1 111 ASP H 1 112 THR H 2.500 . 2.500 2.297 1.976 2.503 0.003 8 0 "[ . 1 . 2 ]" 1 1076 1 113 LEU H 1 114 LEU H 4.500 . 4.500 3.920 3.621 4.342 . 0 0 "[ . 1 . 2 ]" 1 1077 1 114 LEU H 1 115 VAL H 4.500 . 4.500 4.315 4.162 4.493 . 0 0 "[ . 1 . 2 ]" 1 1078 1 119 ALA H 1 120 GLY H 3.500 . 3.500 2.556 2.477 2.637 . 0 0 "[ . 1 . 2 ]" 1 1079 1 120 GLY H 1 121 SER H 5.500 . 5.500 4.585 4.545 4.632 . 0 0 "[ . 1 . 2 ]" 1 1080 1 121 SER H 1 122 PHE H 4.500 . 5.000 4.630 4.614 4.651 . 0 0 "[ . 1 . 2 ]" 1 1081 1 123 GLU H 1 124 GLY H 5.500 . 5.500 4.620 4.580 4.652 . 0 0 "[ . 1 . 2 ]" 1 1082 1 124 GLY H 1 125 ASP H 4.500 . 4.500 3.891 3.693 4.067 . 0 0 "[ . 1 . 2 ]" 1 1083 1 125 ASP H 1 126 THR H 2.500 . 2.500 1.810 1.694 2.073 . 0 0 "[ . 1 . 2 ]" 1 1084 1 126 THR H 1 127 LYS H 5.500 . 5.500 4.538 4.232 4.623 . 0 0 "[ . 1 . 2 ]" 1 1085 1 127 LYS H 1 128 MET H 5.500 . 5.500 4.512 4.476 4.574 . 0 0 "[ . 1 . 2 ]" 1 1086 1 128 MET H 1 129 ILE H 5.500 . 5.500 4.613 4.594 4.652 . 0 0 "[ . 1 . 2 ]" 1 1087 1 131 LEU H 1 132 ASN H 5.500 . 5.500 4.609 4.547 4.654 . 0 0 "[ . 1 . 2 ]" 1 1088 1 132 ASN H 1 133 TRP H 5.500 . 5.500 4.047 3.986 4.088 . 0 0 "[ . 1 . 2 ]" 1 1089 1 133 TRP H 1 134 ASP H 3.500 . 3.500 2.570 2.515 2.616 . 0 0 "[ . 1 . 2 ]" 1 1090 1 134 ASP H 1 135 ASP H 3.500 . 3.500 2.692 2.630 2.776 . 0 0 "[ . 1 . 2 ]" 1 1091 1 135 ASP H 1 136 PHE H 3.500 . 3.500 2.586 1.873 2.977 . 0 0 "[ . 1 . 2 ]" 1 1092 1 136 PHE H 1 137 THR H 5.500 . 5.500 4.458 4.420 4.624 . 0 0 "[ . 1 . 2 ]" 1 1093 1 137 THR H 1 138 LYS H 4.500 . 4.500 4.274 4.108 4.375 . 0 0 "[ . 1 . 2 ]" 1 1094 1 138 LYS H 1 139 VAL H 5.500 . 5.500 4.585 4.428 4.680 . 0 0 "[ . 1 . 2 ]" 1 1095 1 139 VAL H 1 140 SER H 4.500 . 4.500 1.972 1.738 2.268 . 0 0 "[ . 1 . 2 ]" 1 1096 1 140 SER H 1 141 SER H 4.500 . 4.500 4.407 4.362 4.447 . 0 0 "[ . 1 . 2 ]" 1 1097 1 141 SER H 1 142 ARG H 4.500 . 4.500 4.052 3.803 4.377 . 0 0 "[ . 1 . 2 ]" 1 1098 1 144 VAL H 1 145 GLU H 4.500 . 4.500 4.217 4.134 4.358 . 0 0 "[ . 1 . 2 ]" 1 1099 1 145 GLU H 1 146 ASP H 4.500 . 4.500 4.391 4.334 4.456 . 0 0 "[ . 1 . 2 ]" 1 1100 1 146 ASP H 1 147 THR H 5.500 . 5.500 4.471 4.445 4.530 . 0 0 "[ . 1 . 2 ]" 1 1101 1 147 THR H 1 148 ASN H 3.500 . 3.500 2.596 2.543 2.711 . 0 0 "[ . 1 . 2 ]" 1 1102 1 150 ALA H 1 151 LEU H 3.500 . 3.500 2.570 2.323 2.675 . 0 0 "[ . 1 . 2 ]" 1 1103 1 151 LEU H 1 152 THR H 3.500 . 3.500 2.797 2.511 2.865 . 0 0 "[ . 1 . 2 ]" 1 1104 1 152 THR H 1 153 HIS H 4.500 . 5.000 4.609 4.563 4.670 . 0 0 "[ . 1 . 2 ]" 1 1105 1 154 THR H 1 155 TYR H 5.500 . 5.500 4.325 4.245 4.375 . 0 0 "[ . 1 . 2 ]" 1 1106 1 155 TYR H 1 156 GLU H 5.500 . 5.500 4.159 4.093 4.242 . 0 0 "[ . 1 . 2 ]" 1 1107 1 156 GLU H 1 157 VAL H 4.500 . 5.000 4.607 4.545 4.657 . 0 0 "[ . 1 . 2 ]" 1 1108 1 159 GLN H 1 160 LYS H 4.500 . 4.500 4.347 4.279 4.400 . 0 0 "[ . 1 . 2 ]" 1 1109 1 161 LYS H 1 162 ALA H 4.500 . 4.500 4.179 3.696 4.452 . 0 0 "[ . 1 . 2 ]" 1 1110 1 1 THR HA 1 2 ALA H 2.500 . 2.500 2.332 2.189 2.479 . 0 0 "[ . 1 . 2 ]" 1 1111 1 2 ALA HA 1 3 PHE H 2.500 . 2.500 2.209 2.185 2.268 . 0 0 "[ . 1 . 2 ]" 1 1112 1 3 PHE HA 1 4 LEU H 2.500 . 2.500 2.294 2.186 2.417 . 0 0 "[ . 1 . 2 ]" 1 1113 1 4 LEU HA 1 5 TRP H 2.500 . 2.500 2.204 2.194 2.216 . 0 0 "[ . 1 . 2 ]" 1 1114 1 5 TRP HA 1 6 ALA H 2.500 . 2.500 2.271 2.200 2.319 . 0 0 "[ . 1 . 2 ]" 1 1115 1 6 ALA HA 1 7 GLN H 2.500 . 2.500 2.197 2.189 2.210 . 0 0 "[ . 1 . 2 ]" 1 1116 1 7 GLN HA 1 8 ASP H 2.500 . 3.000 2.329 2.284 2.403 . 0 0 "[ . 1 . 2 ]" 1 1117 1 8 ASP HA 1 9 ARG H 3.500 . 4.000 2.500 2.479 2.515 . 0 0 "[ . 1 . 2 ]" 1 1118 1 10 ASP HA 1 11 GLY H 3.500 . 4.000 3.160 3.143 3.316 . 0 0 "[ . 1 . 2 ]" 1 1119 1 11 GLY QA 1 12 LEU H 3.500 . 4.500 2.764 2.697 2.794 . 0 0 "[ . 1 . 2 ]" 1 1120 1 12 LEU HA 1 13 ILE H 2.500 . 2.500 2.428 2.320 2.473 . 0 0 "[ . 1 . 2 ]" 1 1121 1 13 ILE HA 1 14 GLY H 4.500 . 4.500 3.515 3.491 3.557 . 0 0 "[ . 1 . 2 ]" 1 1122 1 14 GLY QA 1 15 LYS H 3.500 . 4.500 2.307 2.230 2.322 . 0 0 "[ . 1 . 2 ]" 1 1123 1 15 LYS HA 1 16 ASP H 2.500 . 3.000 2.192 2.184 2.286 . 0 0 "[ . 1 . 2 ]" 1 1124 1 16 ASP HA 1 17 GLY H 3.500 . 3.500 2.951 2.900 3.223 . 0 0 "[ . 1 . 2 ]" 1 1125 1 17 GLY QA 1 18 HIS H 3.500 . 4.500 2.535 2.505 2.663 . 0 0 "[ . 1 . 2 ]" 1 1126 1 20 PRO HA 1 21 TRP H 3.500 . 4.000 3.515 3.495 3.537 . 0 0 "[ . 1 . 2 ]" 1 1127 1 21 TRP HA 1 22 HIS H 3.500 . 4.000 2.534 2.368 2.722 . 0 0 "[ . 1 . 2 ]" 1 1128 1 22 HIS HA 1 23 LEU H 3.500 . 4.000 2.261 2.209 2.357 . 0 0 "[ . 1 . 2 ]" 1 1129 1 25 ASP HA 1 26 ASP H 5.500 . 5.500 3.567 3.546 3.582 . 0 0 "[ . 1 . 2 ]" 1 1130 1 26 ASP HA 1 27 LEU H 4.500 . 5.000 3.533 3.503 3.558 . 0 0 "[ . 1 . 2 ]" 1 1131 1 27 LEU HA 1 28 HIS H 4.500 . 5.000 3.479 3.474 3.486 . 0 0 "[ . 1 . 2 ]" 1 1132 1 28 HIS HA 1 29 TYR H 4.500 . 5.000 3.504 3.478 3.514 . 0 0 "[ . 1 . 2 ]" 1 1133 1 29 TYR HA 1 30 PHE H 3.500 . 4.000 3.489 3.478 3.502 . 0 0 "[ . 1 . 2 ]" 1 1134 1 30 PHE HA 1 31 ARG H 4.500 . 5.000 3.570 3.566 3.582 . 0 0 "[ . 1 . 2 ]" 1 1135 1 31 ARG HA 1 32 ALA H 3.500 . 4.000 3.478 3.280 3.519 . 0 0 "[ . 1 . 2 ]" 1 1136 1 32 ALA HA 1 33 GLN H 3.500 . 4.000 3.509 3.487 3.532 . 0 0 "[ . 1 . 2 ]" 1 1137 1 33 GLN HA 1 34 THR H 3.500 . 4.000 2.922 2.889 2.963 . 0 0 "[ . 1 . 2 ]" 1 1138 1 34 THR HA 1 35 VAL H 3.500 . 4.000 3.523 3.495 3.536 . 0 0 "[ . 1 . 2 ]" 1 1139 1 35 VAL HA 1 36 GLY H 2.500 . 3.000 2.195 2.188 2.214 . 0 0 "[ . 1 . 2 ]" 1 1140 1 36 GLY QA 1 37 LYS H 3.500 . 4.500 2.795 2.752 2.863 . 0 0 "[ . 1 . 2 ]" 1 1141 1 37 LYS HA 1 38 ILE H 4.500 . 5.000 2.486 2.432 2.719 . 0 0 "[ . 1 . 2 ]" 1 1142 1 38 ILE HA 1 39 MET H 2.500 . 3.000 2.212 2.186 2.248 . 0 0 "[ . 1 . 2 ]" 1 1143 1 40 VAL HA 1 41 VAL H 2.500 . 3.000 2.187 2.185 2.203 . 0 0 "[ . 1 . 2 ]" 1 1144 1 41 VAL HA 1 42 GLY H 2.500 . 3.000 2.527 2.397 2.688 . 0 0 "[ . 1 . 2 ]" 1 1145 1 42 GLY QA 1 43 ARG H 3.500 . 4.500 2.302 2.277 2.323 . 0 0 "[ . 1 . 2 ]" 1 1146 1 43 ARG HA 1 44 ARG H 3.500 . 4.000 3.541 3.519 3.564 . 0 0 "[ . 1 . 2 ]" 1 1147 1 44 ARG HA 1 45 THR H 3.500 . 4.000 3.543 3.515 3.576 . 0 0 "[ . 1 . 2 ]" 1 1148 1 45 THR HA 1 46 TYR H 4.500 . 5.000 3.499 3.488 3.516 . 0 0 "[ . 1 . 2 ]" 1 1149 1 46 TYR HA 1 47 GLU H 4.500 . 5.000 3.549 3.507 3.586 . 0 0 "[ . 1 . 2 ]" 1 1150 1 47 GLU HA 1 48 SER H 4.500 . 5.000 3.474 3.429 3.493 . 0 0 "[ . 1 . 2 ]" 1 1151 1 48 SER HA 1 49 PHE H 3.500 . 4.000 3.464 3.204 3.508 . 0 0 "[ . 1 . 2 ]" 1 1152 1 51 LYS HA 1 52 ARG H 2.500 . 3.000 2.299 2.192 2.469 . 0 0 "[ . 1 . 2 ]" 1 1153 1 53 PRO HA 1 54 LEU H 2.500 . 3.000 2.445 2.258 2.772 . 0 0 "[ . 1 . 2 ]" 1 1154 1 55 PRO HA 1 56 GLU H 2.500 . 3.000 2.577 2.412 2.651 . 0 0 "[ . 1 . 2 ]" 1 1155 1 56 GLU HA 1 57 ARG H 3.500 . 4.000 2.994 2.944 3.062 . 0 0 "[ . 1 . 2 ]" 1 1156 1 57 ARG HA 1 58 THR H 3.500 . 4.000 2.539 2.277 2.744 . 0 0 "[ . 1 . 2 ]" 1 1157 1 58 THR HA 1 59 ASN H 2.500 . 3.000 2.215 2.185 2.326 . 0 0 "[ . 1 . 2 ]" 1 1158 1 59 ASN HA 1 60 VAL H 2.500 . 3.000 2.219 2.185 2.261 . 0 0 "[ . 1 . 2 ]" 1 1159 1 60 VAL HA 1 61 VAL H 2.500 . 3.000 2.244 2.185 2.320 . 0 0 "[ . 1 . 2 ]" 1 1160 1 65 GLN HA 1 66 GLU H 2.500 . 3.000 2.217 2.187 2.375 . 0 0 "[ . 1 . 2 ]" 1 1161 1 66 GLU HA 1 67 ASP H 3.500 . 4.000 2.977 2.945 3.226 . 0 0 "[ . 1 . 2 ]" 1 1162 1 67 ASP HA 1 68 TYR H 4.500 . 5.000 3.527 3.489 3.553 . 0 0 "[ . 1 . 2 ]" 1 1163 1 68 TYR HA 1 69 GLN H 2.500 . 3.000 2.269 2.188 2.375 . 0 0 "[ . 1 . 2 ]" 1 1164 1 70 ALA HA 1 71 GLN H 2.500 . 3.000 2.192 2.185 2.235 . 0 0 "[ . 1 . 2 ]" 1 1165 1 71 GLN HA 1 72 GLY H 3.500 . 4.000 2.207 2.185 2.258 . 0 0 "[ . 1 . 2 ]" 1 1166 1 72 GLY QA 1 73 ALA H 3.500 . 4.500 2.749 2.663 2.784 . 0 0 "[ . 1 . 2 ]" 1 1167 1 73 ALA HA 1 74 VAL H 3.500 . 4.000 2.278 2.209 2.391 . 0 0 "[ . 1 . 2 ]" 1 1168 1 74 VAL HA 1 75 VAL H 2.500 . 3.000 2.256 2.218 2.286 . 0 0 "[ . 1 . 2 ]" 1 1169 1 75 VAL HA 1 76 VAL H 2.500 . 3.000 2.237 2.187 2.272 . 0 0 "[ . 1 . 2 ]" 1 1170 1 76 VAL HA 1 77 HIS H 2.500 . 3.000 2.410 2.313 2.647 . 0 0 "[ . 1 . 2 ]" 1 1171 1 77 HIS HA 1 78 ASP H 4.500 . 5.000 2.972 2.958 2.994 . 0 0 "[ . 1 . 2 ]" 1 1172 1 78 ASP HA 1 79 VAL H 3.500 . 4.000 2.281 2.249 2.334 . 0 0 "[ . 1 . 2 ]" 1 1173 1 79 VAL HA 1 80 ALA H 4.500 . 5.000 3.526 3.515 3.536 . 0 0 "[ . 1 . 2 ]" 1 1174 1 81 ALA HA 1 82 VAL H 4.500 . 5.000 3.538 3.528 3.548 . 0 0 "[ . 1 . 2 ]" 1 1175 1 82 VAL HA 1 83 PHE H 4.500 . 5.000 3.554 3.526 3.572 . 0 0 "[ . 1 . 2 ]" 1 1176 1 83 PHE HA 1 84 ALA H 3.500 . 4.000 3.512 3.496 3.526 . 0 0 "[ . 1 . 2 ]" 1 1177 1 84 ALA HA 1 85 TYR H 4.500 . 5.000 3.539 3.497 3.555 . 0 0 "[ . 1 . 2 ]" 1 1178 1 85 TYR HA 1 86 ALA H 3.500 . 4.000 3.533 3.485 3.562 . 0 0 "[ . 1 . 2 ]" 1 1179 1 86 ALA HA 1 87 LYS H 3.500 . 4.000 3.507 3.481 3.527 . 0 0 "[ . 1 . 2 ]" 1 1180 1 88 GLN HA 1 89 HIS H 3.500 . 4.000 3.496 3.249 3.539 . 0 0 "[ . 1 . 2 ]" 1 1181 1 91 ASP HA 1 92 GLN H 3.500 . 4.000 3.493 3.483 3.518 . 0 0 "[ . 1 . 2 ]" 1 1182 1 92 GLN HA 1 93 GLU H 2.500 . 3.000 2.539 2.205 2.609 . 0 0 "[ . 1 . 2 ]" 1 1183 1 93 GLU HA 1 94 LEU H 2.500 . 3.000 2.356 2.263 2.526 . 0 0 "[ . 1 . 2 ]" 1 1184 1 94 LEU HA 1 95 VAL H 2.500 . 3.000 2.213 2.185 2.291 . 0 0 "[ . 1 . 2 ]" 1 1185 1 95 VAL HA 1 96 ILE H 2.500 . 3.000 2.198 2.185 2.236 . 0 0 "[ . 1 . 2 ]" 1 1186 1 96 ILE HA 1 97 ALA H 2.500 . 3.000 2.195 2.183 2.256 . 0 0 "[ . 1 . 2 ]" 1 1187 1 99 GLY QA 1 100 ALA H 4.500 . 5.500 2.246 2.229 2.261 . 0 0 "[ . 1 . 2 ]" 1 1188 1 100 ALA HA 1 101 GLN H 4.500 . 5.000 3.519 3.475 3.566 . 0 0 "[ . 1 . 2 ]" 1 1189 1 101 GLN HA 1 102 ILE H 4.500 . 5.000 3.505 3.475 3.548 . 0 0 "[ . 1 . 2 ]" 1 1190 1 102 ILE HA 1 103 PHE H 3.500 . 4.000 3.539 3.513 3.555 . 0 0 "[ . 1 . 2 ]" 1 1191 1 103 PHE HA 1 104 THR H 4.500 . 5.000 3.578 3.559 3.586 . 0 0 "[ . 1 . 2 ]" 1 1192 1 104 THR HA 1 105 ALA H 3.500 . 4.000 3.482 3.431 3.534 . 0 0 "[ . 1 . 2 ]" 1 1193 1 105 ALA HA 1 106 PHE H 3.500 . 4.000 3.531 3.477 3.583 . 0 0 "[ . 1 . 2 ]" 1 1194 1 106 PHE HA 1 107 LYS H 3.500 . 4.000 3.149 3.078 3.273 . 0 0 "[ . 1 . 2 ]" 1 1195 1 107 LYS HA 1 108 ASP H 3.500 . 4.000 3.494 3.472 3.542 . 0 0 "[ . 1 . 2 ]" 1 1196 1 108 ASP HA 1 109 ASP H 4.500 . 5.000 3.307 2.959 3.569 . 0 0 "[ . 1 . 2 ]" 1 1197 1 109 ASP HA 1 110 VAL H 3.500 . 4.000 2.852 2.615 2.937 . 0 0 "[ . 1 . 2 ]" 1 1198 1 110 VAL HA 1 111 ASP H 2.500 . 3.000 2.317 2.248 2.388 . 0 0 "[ . 1 . 2 ]" 1 1199 1 111 ASP HA 1 112 THR H 3.500 . 4.000 3.581 3.566 3.587 . 0 0 "[ . 1 . 2 ]" 1 1200 1 112 THR HA 1 113 LEU H 2.500 . 3.000 2.311 2.187 2.438 . 0 0 "[ . 1 . 2 ]" 1 1201 1 113 LEU HA 1 114 LEU H 2.500 . 3.000 2.264 2.198 2.329 . 0 0 "[ . 1 . 2 ]" 1 1202 1 114 LEU HA 1 115 VAL H 2.500 . 3.000 2.207 2.188 2.232 . 0 0 "[ . 1 . 2 ]" 1 1203 1 115 VAL HA 1 116 THR H 2.500 . 3.000 2.238 2.208 2.285 . 0 0 "[ . 1 . 2 ]" 1 1204 1 116 THR HA 1 117 ARG H 2.500 . 3.000 2.237 2.207 2.259 . 0 0 "[ . 1 . 2 ]" 1 1205 1 118 LEU HA 1 119 ALA H 2.500 . 3.000 2.226 2.204 2.255 . 0 0 "[ . 1 . 2 ]" 1 1206 1 119 ALA HA 1 120 GLY H 3.500 . 4.000 3.528 3.504 3.548 . 0 0 "[ . 1 . 2 ]" 1 1207 1 120 GLY QA 1 121 SER H 2.500 . 3.500 2.165 2.156 2.187 . 0 0 "[ . 1 . 2 ]" 1 1208 1 121 SER HA 1 122 PHE H 2.500 . 3.000 2.257 2.227 2.292 . 0 0 "[ . 1 . 2 ]" 1 1209 1 122 PHE HA 1 123 GLU H 3.500 . 4.000 2.196 2.184 2.232 . 0 0 "[ . 1 . 2 ]" 1 1210 1 123 GLU HA 1 124 GLY H 2.500 . 3.000 2.312 2.241 2.427 . 0 0 "[ . 1 . 2 ]" 1 1211 1 124 GLY QA 1 125 ASP H 2.500 . 3.500 2.163 2.151 2.193 . 0 0 "[ . 1 . 2 ]" 1 1212 1 125 ASP HA 1 126 THR H 3.500 . 4.000 3.515 3.202 3.579 . 0 0 "[ . 1 . 2 ]" 1 1213 1 126 THR HA 1 127 LYS H 2.500 . 3.000 2.236 2.186 2.303 . 0 0 "[ . 1 . 2 ]" 1 1214 1 127 LYS HA 1 128 MET H 2.500 . 3.000 2.521 2.399 2.608 . 0 0 "[ . 1 . 2 ]" 1 1215 1 128 MET HA 1 129 ILE H 2.500 . 3.000 2.301 2.260 2.333 . 0 0 "[ . 1 . 2 ]" 1 1216 1 130 PRO HA 1 131 LEU H 2.500 . 3.000 2.261 2.219 2.307 . 0 0 "[ . 1 . 2 ]" 1 1217 1 131 LEU HA 1 132 ASN H 2.500 . 3.000 2.273 2.212 2.366 . 0 0 "[ . 1 . 2 ]" 1 1218 1 132 ASN HA 1 133 TRP H 2.500 . 3.000 2.339 2.317 2.373 . 0 0 "[ . 1 . 2 ]" 1 1219 1 133 TRP HA 1 134 ASP H 4.500 . 5.000 3.429 3.373 3.456 . 0 0 "[ . 1 . 2 ]" 1 1220 1 135 ASP HA 1 136 PHE H 3.500 . 4.000 3.040 2.890 3.529 . 0 0 "[ . 1 . 2 ]" 1 1221 1 136 PHE HA 1 137 THR H 2.500 . 3.000 2.542 2.434 2.608 . 0 0 "[ . 1 . 2 ]" 1 1222 1 137 THR HA 1 138 LYS H 2.500 . 3.000 2.225 2.186 2.285 . 0 0 "[ . 1 . 2 ]" 1 1223 1 138 LYS HA 1 139 VAL H 2.500 . 3.000 2.271 2.185 2.374 . 0 0 "[ . 1 . 2 ]" 1 1224 1 139 VAL HA 1 140 SER H 3.500 . 4.000 3.529 3.516 3.547 . 0 0 "[ . 1 . 2 ]" 1 1225 1 140 SER HA 1 141 SER H 2.500 . 3.000 2.435 2.264 2.634 . 0 0 "[ . 1 . 2 ]" 1 1226 1 141 SER HA 1 142 ARG H 2.500 . 3.000 2.213 2.185 2.387 . 0 0 "[ . 1 . 2 ]" 1 1227 1 142 ARG HA 1 143 THR H 2.500 . 3.000 2.216 2.189 2.254 . 0 0 "[ . 1 . 2 ]" 1 1228 1 143 THR HA 1 144 VAL H 2.500 . 3.000 2.281 2.241 2.331 . 0 0 "[ . 1 . 2 ]" 1 1229 1 144 VAL HA 1 145 GLU H 2.500 . 3.000 2.208 2.189 2.294 . 0 0 "[ . 1 . 2 ]" 1 1230 1 145 GLU HA 1 146 ASP H 2.500 . 3.000 2.188 2.184 2.208 . 0 0 "[ . 1 . 2 ]" 1 1231 1 146 ASP HA 1 147 THR H 2.500 . 3.000 2.759 2.677 2.790 . 0 0 "[ . 1 . 2 ]" 1 1232 1 147 THR HA 1 148 ASN H 3.500 . 4.000 3.556 3.533 3.566 . 0 0 "[ . 1 . 2 ]" 1 1233 1 149 PRO HA 1 150 ALA H 3.500 . 4.000 3.554 3.476 3.582 . 0 0 "[ . 1 . 2 ]" 1 1234 1 150 ALA HA 1 151 LEU H 3.500 . 4.000 3.505 3.472 3.543 . 0 0 "[ . 1 . 2 ]" 1 1235 1 152 THR HA 1 153 HIS H 2.500 . 3.000 2.259 2.216 2.382 . 0 0 "[ . 1 . 2 ]" 1 1236 1 153 HIS HA 1 154 THR H 2.500 . 3.000 2.471 2.412 2.546 . 0 0 "[ . 1 . 2 ]" 1 1237 1 154 THR HA 1 155 TYR H 2.500 . 3.000 2.218 2.195 2.247 . 0 0 "[ . 1 . 2 ]" 1 1238 1 155 TYR HA 1 156 GLU H 2.500 . 3.000 2.269 2.235 2.295 . 0 0 "[ . 1 . 2 ]" 1 1239 1 156 GLU HA 1 157 VAL H 2.500 . 3.000 2.230 2.192 2.288 . 0 0 "[ . 1 . 2 ]" 1 1240 1 157 VAL HA 1 158 TRP H 2.500 . 3.000 2.216 2.189 2.253 . 0 0 "[ . 1 . 2 ]" 1 1241 1 158 TRP HA 1 159 GLN H 2.500 . 3.000 2.450 2.371 2.493 . 0 0 "[ . 1 . 2 ]" 1 1242 1 159 GLN HA 1 160 LYS H 2.500 . 3.000 2.252 2.221 2.284 . 0 0 "[ . 1 . 2 ]" 1 1243 1 160 LYS HA 1 161 LYS H 2.500 . 3.000 2.207 2.187 2.265 . 0 0 "[ . 1 . 2 ]" 1 1244 1 1 THR HB 1 2 ALA H 4.500 . 4.500 3.670 3.311 4.115 . 0 0 "[ . 1 . 2 ]" 1 1245 1 2 ALA MB 1 3 PHE H 4.500 . 5.500 3.313 3.035 3.570 . 0 0 "[ . 1 . 2 ]" 1 1246 1 3 PHE HB3 1 4 LEU H 3.500 . 4.500 2.954 2.550 3.478 . 0 0 "[ . 1 . 2 ]" 1 1247 1 3 PHE HB2 1 4 LEU H 4.500 . 5.500 4.138 3.872 4.424 . 0 0 "[ . 1 . 2 ]" 1 1248 1 5 TRP QB 1 6 ALA H 4.200 . 5.200 2.912 2.762 3.212 . 0 0 "[ . 1 . 2 ]" 1 1249 1 6 ALA MB 1 7 GLN H 4.500 . 5.500 3.376 3.304 3.442 . 0 0 "[ . 1 . 2 ]" 1 1250 1 7 GLN HB3 1 8 ASP H 4.500 . 4.500 3.932 3.822 4.004 . 0 0 "[ . 1 . 2 ]" 1 1251 1 7 GLN HB2 1 8 ASP H 3.500 . 3.500 2.763 2.558 2.902 . 0 0 "[ . 1 . 2 ]" 1 1252 1 8 ASP HB3 1 9 ARG H 4.500 . 4.500 3.673 3.655 3.704 . 0 0 "[ . 1 . 2 ]" 1 1253 1 8 ASP HB2 1 9 ARG H 3.500 . 3.500 2.333 2.303 2.382 . 0 0 "[ . 1 . 2 ]" 1 1254 1 9 ARG HB3 1 10 ASP H 3.500 . 4.500 4.221 4.152 4.259 . 0 0 "[ . 1 . 2 ]" 1 1255 1 10 ASP HB3 1 11 GLY H 5.500 . 5.500 4.296 4.153 4.376 . 0 0 "[ . 1 . 2 ]" 1 1256 1 10 ASP HB2 1 11 GLY H 4.500 . 4.500 3.850 3.545 3.908 . 0 0 "[ . 1 . 2 ]" 1 1257 1 12 LEU QB 1 13 ILE H 4.500 . 5.500 3.138 3.017 3.447 . 0 0 "[ . 1 . 2 ]" 1 1258 1 15 LYS HB3 1 16 ASP H 4.500 . 4.500 4.184 3.844 4.270 . 0 0 "[ . 1 . 2 ]" 1 1259 1 15 LYS HB2 1 16 ASP H 4.500 . 4.500 4.423 4.117 4.501 0.001 11 0 "[ . 1 . 2 ]" 1 1260 1 16 ASP HB3 1 17 GLY H 5.500 . 5.500 4.309 4.103 4.452 . 0 0 "[ . 1 . 2 ]" 1 1261 1 16 ASP HB2 1 17 GLY H 5.500 . 5.500 4.190 3.848 4.258 . 0 0 "[ . 1 . 2 ]" 1 1262 1 20 PRO QB 1 21 TRP H 5.500 . 5.500 3.206 3.111 3.285 . 0 0 "[ . 1 . 2 ]" 1 1263 1 21 TRP HB3 1 22 HIS H 4.500 . 4.500 3.679 3.494 3.881 . 0 0 "[ . 1 . 2 ]" 1 1264 1 21 TRP HB2 1 22 HIS H 3.500 . 3.500 2.289 1.948 2.661 . 0 0 "[ . 1 . 2 ]" 1 1265 1 22 HIS QB 1 23 LEU H 5.500 . 5.500 3.987 3.931 4.029 . 0 0 "[ . 1 . 2 ]" 1 1266 1 24 PRO QB 1 25 ASP H 4.500 . 5.500 2.789 2.740 2.823 . 0 0 "[ . 1 . 2 ]" 1 1267 1 25 ASP QB 1 26 ASP H 5.500 . 5.500 2.454 2.272 2.606 . 0 0 "[ . 1 . 2 ]" 1 1268 1 26 ASP HB3 1 27 LEU H 3.500 . 3.500 2.722 2.575 2.877 . 0 0 "[ . 1 . 2 ]" 1 1269 1 26 ASP HB2 1 27 LEU H 4.500 . 4.500 3.918 3.844 3.998 . 0 0 "[ . 1 . 2 ]" 1 1270 1 27 LEU HB3 1 28 HIS H 4.500 . 4.500 3.947 3.806 4.007 . 0 0 "[ . 1 . 2 ]" 1 1271 1 27 LEU HB2 1 28 HIS H 3.500 . 3.500 2.994 2.955 3.051 . 0 0 "[ . 1 . 2 ]" 1 1272 1 28 HIS QB 1 29 TYR H 3.500 . 4.500 2.834 2.793 2.935 . 0 0 "[ . 1 . 2 ]" 1 1273 1 29 TYR HB3 1 30 PHE H 3.500 . 3.500 2.942 2.881 2.986 . 0 0 "[ . 1 . 2 ]" 1 1274 1 29 TYR HB2 1 30 PHE H 4.500 . 4.500 3.945 3.902 4.011 . 0 0 "[ . 1 . 2 ]" 1 1275 1 30 PHE HB3 1 31 ARG H 2.500 . 2.500 2.443 2.296 2.478 . 0 0 "[ . 1 . 2 ]" 1 1276 1 30 PHE HB2 1 31 ARG H 4.500 . 4.500 3.727 3.644 3.751 . 0 0 "[ . 1 . 2 ]" 1 1277 1 31 ARG QB 1 32 ALA H 3.500 . 4.500 2.883 2.739 3.424 . 0 0 "[ . 1 . 2 ]" 1 1278 1 32 ALA MB 1 33 GLN H 4.500 . 5.500 2.744 2.636 2.825 . 0 0 "[ . 1 . 2 ]" 1 1279 1 33 GLN HB3 1 34 THR H 5.500 . 5.500 4.405 4.348 4.458 . 0 0 "[ . 1 . 2 ]" 1 1280 1 33 GLN HB2 1 34 THR H 4.500 . 4.500 4.161 4.127 4.224 . 0 0 "[ . 1 . 2 ]" 1 1281 1 34 THR HB 1 35 VAL H 5.500 . 5.500 3.683 3.604 3.817 . 0 0 "[ . 1 . 2 ]" 1 1282 1 35 VAL HB 1 36 GLY H 3.500 . 3.500 3.349 3.200 3.433 . 0 0 "[ . 1 . 2 ]" 1 1283 1 37 LYS HB3 1 38 ILE H 2.500 . 2.500 2.381 1.909 2.496 . 0 0 "[ . 1 . 2 ]" 1 1284 1 37 LYS HB2 1 38 ILE H 4.500 . 4.500 3.694 3.274 3.853 . 0 0 "[ . 1 . 2 ]" 1 1285 1 38 ILE HB 1 39 MET H 5.500 . 5.500 4.343 4.184 4.416 . 0 0 "[ . 1 . 2 ]" 1 1286 1 39 MET QB 1 40 VAL H 5.500 . 5.500 3.864 3.677 3.981 . 0 0 "[ . 1 . 2 ]" 1 1287 1 40 VAL HB 1 41 VAL H 4.500 . 4.500 4.240 4.122 4.296 . 0 0 "[ . 1 . 2 ]" 1 1288 1 41 VAL HB 1 42 GLY H 3.500 . 3.500 2.303 1.995 2.583 . 0 0 "[ . 1 . 2 ]" 1 1289 1 43 ARG HB3 1 44 ARG H 4.500 . 4.500 3.362 2.508 4.054 . 0 0 "[ . 1 . 2 ]" 1 1290 1 43 ARG HB2 1 44 ARG H 5.500 . 5.500 3.556 2.643 3.808 . 0 0 "[ . 1 . 2 ]" 1 1291 1 44 ARG QB 1 45 THR H 4.500 . 5.500 2.684 2.375 3.491 . 0 0 "[ . 1 . 2 ]" 1 1292 1 45 THR HB 1 46 TYR H 3.500 . 3.500 2.895 2.820 2.974 . 0 0 "[ . 1 . 2 ]" 1 1293 1 46 TYR QB 1 47 GLU H 4.500 . 5.500 2.532 2.132 2.796 . 0 0 "[ . 1 . 2 ]" 1 1294 1 47 GLU HB3 1 48 SER H 4.500 . 4.500 3.880 3.700 4.057 . 0 0 "[ . 1 . 2 ]" 1 1295 1 47 GLU HB2 1 48 SER H 3.500 . 3.500 3.042 2.942 3.201 . 0 0 "[ . 1 . 2 ]" 1 1296 1 48 SER QB 1 49 PHE H 5.500 . 5.500 3.173 2.805 3.662 . 0 0 "[ . 1 . 2 ]" 1 1297 1 49 PHE HA 1 50 PRO HD3 3.500 . 3.500 2.005 1.989 2.055 . 0 0 "[ . 1 . 2 ]" 1 1298 1 49 PHE HA 1 50 PRO HD2 3.500 . 3.500 3.016 2.982 3.080 . 0 0 "[ . 1 . 2 ]" 1 1299 1 49 PHE QB 1 50 PRO QD 3.500 . 5.500 2.061 1.993 2.111 . 0 0 "[ . 1 . 2 ]" 1 1300 1 50 PRO HB2 1 51 LYS H 2.500 . 2.500 2.276 2.188 2.502 0.002 13 0 "[ . 1 . 2 ]" 1 1301 1 50 PRO HB3 1 51 LYS H 4.500 . 4.500 3.648 3.592 3.785 . 0 0 "[ . 1 . 2 ]" 1 1302 1 51 LYS QB 1 52 ARG H 3.500 . 4.500 3.773 2.920 4.015 . 0 0 "[ . 1 . 2 ]" 1 1303 1 53 PRO QB 1 54 LEU H 4.500 . 5.500 2.644 1.972 3.086 . 0 0 "[ . 1 . 2 ]" 1 1304 1 55 PRO HB3 1 56 GLU H 5.500 . 5.500 3.160 3.036 3.427 . 0 0 "[ . 1 . 2 ]" 1 1305 1 55 PRO HB2 1 56 GLU H 3.500 . 3.500 2.433 2.293 2.781 . 0 0 "[ . 1 . 2 ]" 1 1306 1 56 GLU QB 1 57 ARG H 5.500 . 5.500 3.768 3.714 3.809 . 0 0 "[ . 1 . 2 ]" 1 1307 1 57 ARG HB2 1 58 THR H 5.500 . 5.500 2.301 1.935 2.916 . 0 0 "[ . 1 . 2 ]" 1 1308 1 57 ARG HB3 1 58 THR H 4.500 . 4.500 3.700 3.494 4.024 . 0 0 "[ . 1 . 2 ]" 1 1309 1 58 THR HB 1 59 ASN H 4.500 . 4.500 4.047 3.617 4.265 . 0 0 "[ . 1 . 2 ]" 1 1310 1 59 ASN QB 1 60 VAL H 5.500 . 5.500 3.604 3.420 3.724 . 0 0 "[ . 1 . 2 ]" 1 1311 1 62 LEU HB3 1 63 THR H 5.500 . 5.500 4.261 4.143 4.344 . 0 0 "[ . 1 . 2 ]" 1 1312 1 62 LEU HB2 1 63 THR H 5.500 . 5.500 4.476 4.378 4.543 . 0 0 "[ . 1 . 2 ]" 1 1313 1 66 GLU QB 1 67 ASP H 4.500 . 5.500 3.791 3.509 4.038 . 0 0 "[ . 1 . 2 ]" 1 1314 1 67 ASP QB 1 68 TYR H 4.500 . 5.500 2.743 2.592 3.526 . 0 0 "[ . 1 . 2 ]" 1 1315 1 68 TYR HB3 1 69 GLN H 4.500 . 4.500 3.806 3.540 4.101 . 0 0 "[ . 1 . 2 ]" 1 1316 1 68 TYR HB2 1 69 GLN H 4.500 . 4.500 4.223 4.032 4.428 . 0 0 "[ . 1 . 2 ]" 1 1317 1 69 GLN HB3 1 70 ALA H 4.500 . 4.500 3.469 2.633 3.904 . 0 0 "[ . 1 . 2 ]" 1 1318 1 69 GLN HB2 1 70 ALA H 4.500 . 5.500 4.308 3.769 4.555 . 0 0 "[ . 1 . 2 ]" 1 1319 1 70 ALA MB 1 71 GLN H 4.500 . 5.500 3.241 2.955 3.380 . 0 0 "[ . 1 . 2 ]" 1 1320 1 73 ALA MB 1 74 VAL H 3.500 . 4.500 2.825 2.520 3.055 . 0 0 "[ . 1 . 2 ]" 1 1321 1 74 VAL HB 1 75 VAL H 5.500 . 5.500 4.420 4.383 4.439 . 0 0 "[ . 1 . 2 ]" 1 1322 1 75 VAL HB 1 76 VAL H 5.500 . 5.500 4.397 4.204 4.432 . 0 0 "[ . 1 . 2 ]" 1 1323 1 76 VAL HB 1 77 HIS H 3.500 . 3.500 2.561 2.062 2.816 . 0 0 "[ . 1 . 2 ]" 1 1324 1 77 HIS HB3 1 78 ASP H 5.500 . 5.500 4.467 4.436 4.490 . 0 0 "[ . 1 . 2 ]" 1 1325 1 77 HIS HB2 1 78 ASP H 5.500 . 5.500 4.070 4.039 4.092 . 0 0 "[ . 1 . 2 ]" 1 1326 1 78 ASP QB 1 79 VAL H 3.500 . 4.500 3.385 2.702 3.567 . 0 0 "[ . 1 . 2 ]" 1 1327 1 79 VAL HB 1 80 ALA H 4.500 . 4.500 2.756 2.709 2.817 . 0 0 "[ . 1 . 2 ]" 1 1328 1 80 ALA MB 1 81 ALA H 3.500 . 4.500 2.686 2.633 2.752 . 0 0 "[ . 1 . 2 ]" 1 1329 1 81 ALA MB 1 82 VAL H 3.500 . 4.500 2.611 2.538 2.703 . 0 0 "[ . 1 . 2 ]" 1 1330 1 82 VAL HB 1 83 PHE H 3.500 . 3.500 2.580 2.438 2.755 . 0 0 "[ . 1 . 2 ]" 1 1331 1 83 PHE HB3 1 84 ALA H 5.500 . 5.500 3.672 3.588 3.796 . 0 0 "[ . 1 . 2 ]" 1 1332 1 83 PHE HB2 1 84 ALA H 3.500 . 3.500 2.920 2.871 3.012 . 0 0 "[ . 1 . 2 ]" 1 1333 1 84 ALA MB 1 85 TYR H 3.500 . 4.500 2.612 2.512 2.781 . 0 0 "[ . 1 . 2 ]" 1 1334 1 85 TYR HB3 1 86 ALA H 3.500 . 3.500 2.715 2.525 2.956 . 0 0 "[ . 1 . 2 ]" 1 1335 1 85 TYR HB2 1 86 ALA H 4.500 . 4.500 3.833 3.727 3.961 . 0 0 "[ . 1 . 2 ]" 1 1336 1 86 ALA MB 1 87 LYS H 3.500 . 4.500 2.753 2.658 2.843 . 0 0 "[ . 1 . 2 ]" 1 1337 1 88 GLN QB 1 89 HIS H 4.500 . 5.500 2.870 2.691 3.549 . 0 0 "[ . 1 . 2 ]" 1 1338 1 91 ASP QB 1 92 GLN H 4.500 . 5.500 3.075 2.767 3.574 . 0 0 "[ . 1 . 2 ]" 1 1339 1 93 GLU QB 1 94 LEU H 4.500 . 5.500 2.667 2.259 2.936 . 0 0 "[ . 1 . 2 ]" 1 1340 1 95 VAL HB 1 96 ILE H 5.500 . 5.500 4.173 4.000 4.320 . 0 0 "[ . 1 . 2 ]" 1 1341 1 97 ALA MB 1 98 GLY H 5.500 . 5.500 2.845 2.685 2.940 . 0 0 "[ . 1 . 2 ]" 1 1342 1 100 ALA MB 1 101 GLN H 3.500 . 4.500 2.709 2.498 2.905 . 0 0 "[ . 1 . 2 ]" 1 1343 1 102 ILE HB 1 103 PHE H 3.500 . 3.500 2.686 2.594 2.822 . 0 0 "[ . 1 . 2 ]" 1 1344 1 103 PHE HB3 1 104 THR H 4.500 . 4.500 3.275 3.048 3.529 . 0 0 "[ . 1 . 2 ]" 1 1345 1 103 PHE HB2 1 104 THR H 3.500 . 3.500 2.465 2.351 2.649 . 0 0 "[ . 1 . 2 ]" 1 1346 1 104 THR HB 1 105 ALA H 3.500 . 4.000 3.331 2.944 4.023 0.023 7 0 "[ . 1 . 2 ]" 1 1347 1 105 ALA MB 1 106 PHE H 3.500 . 4.500 2.645 2.295 2.893 . 0 0 "[ . 1 . 2 ]" 1 1348 1 106 PHE HB3 1 107 LYS H 5.500 . 5.500 4.315 4.164 4.375 . 0 0 "[ . 1 . 2 ]" 1 1349 1 106 PHE HB2 1 107 LYS H 5.500 . 5.500 3.858 3.668 3.972 . 0 0 "[ . 1 . 2 ]" 1 1350 1 107 LYS QB 1 108 ASP H 4.500 . 5.500 3.179 2.740 3.612 . 0 0 "[ . 1 . 2 ]" 1 1351 1 108 ASP HB3 1 109 ASP H 5.500 . 5.500 3.308 2.469 4.084 . 0 0 "[ . 1 . 2 ]" 1 1352 1 108 ASP HB2 1 109 ASP H 4.500 . 4.500 4.081 3.598 4.485 . 0 0 "[ . 1 . 2 ]" 1 1353 1 109 ASP QB 1 110 VAL H 5.500 . 6.500 3.842 3.793 3.924 . 0 0 "[ . 1 . 2 ]" 1 1354 1 110 VAL HB 1 111 ASP H 4.500 . 4.500 4.026 3.920 4.139 . 0 0 "[ . 1 . 2 ]" 1 1355 1 111 ASP HB3 1 112 THR H 4.500 . 4.500 3.148 1.917 3.882 . 0 0 "[ . 1 . 2 ]" 1 1356 1 111 ASP HB2 1 112 THR H 4.500 . 4.500 2.502 1.992 3.523 . 0 0 "[ . 1 . 2 ]" 1 1357 1 112 THR HB 1 113 LEU H 4.500 . 4.500 3.793 3.400 4.302 . 0 0 "[ . 1 . 2 ]" 1 1358 1 113 LEU HB3 1 114 LEU H 5.500 . 5.500 3.958 3.722 4.102 . 0 0 "[ . 1 . 2 ]" 1 1359 1 113 LEU HB2 1 114 LEU H 5.500 . 5.500 4.542 4.451 4.593 . 0 0 "[ . 1 . 2 ]" 1 1360 1 114 LEU HB3 1 115 VAL H 5.500 . 5.500 3.725 3.443 3.875 . 0 0 "[ . 1 . 2 ]" 1 1361 1 114 LEU HB2 1 115 VAL H 5.500 . 5.500 4.426 4.306 4.484 . 0 0 "[ . 1 . 2 ]" 1 1362 1 115 VAL HB 1 116 THR H 4.500 . 4.500 4.164 4.071 4.242 . 0 0 "[ . 1 . 2 ]" 1 1363 1 116 THR HB 1 117 ARG H 4.500 . 4.500 4.389 4.329 4.422 . 0 0 "[ . 1 . 2 ]" 1 1364 1 118 LEU HB3 1 119 ALA H 3.500 . 3.500 3.301 3.132 3.455 . 0 0 "[ . 1 . 2 ]" 1 1365 1 118 LEU HB2 1 119 ALA H 4.500 . 4.500 4.376 4.286 4.453 . 0 0 "[ . 1 . 2 ]" 1 1366 1 119 ALA MB 1 120 GLY H 3.500 . 4.500 2.659 2.546 2.756 . 0 0 "[ . 1 . 2 ]" 1 1367 1 121 SER QB 1 122 PHE H 5.500 . 5.500 3.028 2.818 3.684 . 0 0 "[ . 1 . 2 ]" 1 1368 1 123 GLU QB 1 124 GLY H 4.500 . 5.500 3.043 2.474 3.591 . 0 0 "[ . 1 . 2 ]" 1 1369 1 125 ASP HB3 1 126 THR H 5.500 . 5.500 3.555 2.679 4.311 . 0 0 "[ . 1 . 2 ]" 1 1370 1 125 ASP HB2 1 126 THR H 4.500 . 4.500 3.244 2.490 3.868 . 0 0 "[ . 1 . 2 ]" 1 1371 1 126 THR HB 1 127 LYS H 5.500 . 5.500 3.898 3.655 4.248 . 0 0 "[ . 1 . 2 ]" 1 1372 1 127 LYS HB3 1 128 MET H 3.500 . 3.500 2.309 2.148 2.580 . 0 0 "[ . 1 . 2 ]" 1 1373 1 127 LYS HB2 1 128 MET H 4.500 . 4.500 3.528 3.322 3.846 . 0 0 "[ . 1 . 2 ]" 1 1374 1 128 MET HB3 1 129 ILE H 5.500 . 5.500 3.659 3.539 3.785 . 0 0 "[ . 1 . 2 ]" 1 1375 1 128 MET HB2 1 129 ILE H 5.500 . 5.500 4.174 4.072 4.308 . 0 0 "[ . 1 . 2 ]" 1 1376 1 130 PRO QB 1 131 LEU H 4.500 . 5.500 3.702 3.598 3.784 . 0 0 "[ . 1 . 2 ]" 1 1377 1 131 LEU HB3 1 132 ASN H 3.500 . 3.500 2.969 2.667 3.229 . 0 0 "[ . 1 . 2 ]" 1 1378 1 131 LEU HB2 1 132 ASN H 5.500 . 5.500 4.024 3.777 4.175 . 0 0 "[ . 1 . 2 ]" 1 1379 1 132 ASN QB 1 133 TRP H 5.500 . 5.500 4.020 4.005 4.036 . 0 0 "[ . 1 . 2 ]" 1 1380 1 133 TRP HB3 1 134 ASP H 5.500 . 5.500 4.093 4.000 4.229 . 0 0 "[ . 1 . 2 ]" 1 1381 1 133 TRP HB2 1 134 ASP H 3.500 . 3.500 3.192 3.096 3.369 . 0 0 "[ . 1 . 2 ]" 1 1382 1 134 ASP QB 1 135 ASP H 3.500 . 4.500 3.143 2.754 3.544 . 0 0 "[ . 1 . 2 ]" 1 1383 1 135 ASP QB 1 136 PHE H 5.500 . 5.500 3.662 2.689 4.049 . 0 0 "[ . 1 . 2 ]" 1 1384 1 136 PHE HB3 1 137 THR H 3.500 . 3.500 2.253 2.112 2.494 . 0 0 "[ . 1 . 2 ]" 1 1385 1 136 PHE HB2 1 137 THR H 4.500 . 4.500 3.574 3.434 3.762 . 0 0 "[ . 1 . 2 ]" 1 1386 1 137 THR HB 1 138 LYS H 4.500 . 4.500 3.949 3.725 4.142 . 0 0 "[ . 1 . 2 ]" 1 1387 1 139 VAL HB 1 140 SER H 4.500 . 4.500 3.747 3.662 3.803 . 0 0 "[ . 1 . 2 ]" 1 1388 1 140 SER QB 1 141 SER H 4.500 . 5.500 2.817 2.138 3.572 . 0 0 "[ . 1 . 2 ]" 1 1389 1 143 THR HB 1 144 VAL H 4.500 . 4.500 3.769 3.621 3.907 . 0 0 "[ . 1 . 2 ]" 1 1390 1 144 VAL HB 1 145 GLU H 4.500 . 4.500 4.253 4.067 4.322 . 0 0 "[ . 1 . 2 ]" 1 1391 1 145 GLU QB 1 146 ASP H 3.500 . 4.500 3.489 3.139 3.820 . 0 0 "[ . 1 . 2 ]" 1 1392 1 147 THR HB 1 148 ASN H 4.500 . 4.500 3.505 3.370 3.730 . 0 0 "[ . 1 . 2 ]" 1 1393 1 149 PRO QB 1 150 ALA H 3.500 . 4.500 2.796 2.559 3.319 . 0 0 "[ . 1 . 2 ]" 1 1394 1 150 ALA MB 1 151 LEU H 3.500 . 4.500 2.769 2.589 2.914 . 0 0 "[ . 1 . 2 ]" 1 1395 1 151 LEU QB 1 152 THR H 3.500 . 4.500 3.626 3.358 3.680 . 0 0 "[ . 1 . 2 ]" 1 1396 1 152 THR HB 1 153 HIS H 5.500 . 5.500 3.844 2.620 4.080 . 0 0 "[ . 1 . 2 ]" 1 1397 1 153 HIS HB3 1 154 THR H 5.500 . 5.500 3.734 3.645 3.803 . 0 0 "[ . 1 . 2 ]" 1 1398 1 153 HIS HB2 1 154 THR H 3.500 . 3.500 2.399 2.234 2.534 . 0 0 "[ . 1 . 2 ]" 1 1399 1 154 THR HB 1 155 TYR H 5.500 . 5.500 4.022 3.945 4.122 . 0 0 "[ . 1 . 2 ]" 1 1400 1 155 TYR QB 1 156 GLU H 5.500 . 5.500 3.728 3.662 3.772 . 0 0 "[ . 1 . 2 ]" 1 1401 1 157 VAL HB 1 158 TRP H 5.500 . 5.500 4.370 4.296 4.420 . 0 0 "[ . 1 . 2 ]" 1 1402 1 158 TRP HB3 1 159 GLN H 3.500 . 3.500 2.459 2.359 2.657 . 0 0 "[ . 1 . 2 ]" 1 1403 1 158 TRP HB2 1 159 GLN H 5.500 . 5.500 3.636 3.553 3.790 . 0 0 "[ . 1 . 2 ]" 1 1404 1 159 GLN HB3 1 160 LYS H 4.500 . 4.500 3.048 2.935 3.188 . 0 0 "[ . 1 . 2 ]" 1 1405 1 159 GLN HB2 1 160 LYS H 5.500 . 5.500 4.163 4.096 4.256 . 0 0 "[ . 1 . 2 ]" 1 1406 1 161 LYS QB 1 162 ALA H 3.500 . 4.500 3.536 2.143 3.995 . 0 0 "[ . 1 . 2 ]" 1 1407 1 8 ASP H 1 9 ARG HA 5.500 . 6.500 5.469 5.384 5.538 . 0 0 "[ . 1 . 2 ]" 1 1408 1 70 ALA H 1 71 GLN HA 5.500 . 5.500 4.969 4.581 5.251 . 0 0 "[ . 1 . 2 ]" 1 1409 1 77 HIS H 1 78 ASP HA 5.500 . 5.500 4.759 4.694 4.825 . 0 0 "[ . 1 . 2 ]" 1 1410 1 79 VAL H 1 80 ALA MB 5.500 . 5.500 4.288 4.255 4.313 . 0 0 "[ . 1 . 2 ]" 1 1411 1 80 ALA H 1 81 ALA MB 5.500 . 5.500 4.267 4.222 4.315 . 0 0 "[ . 1 . 2 ]" 1 1412 1 86 ALA H 1 87 LYS QB 4.500 . 5.500 4.393 4.241 4.722 . 0 0 "[ . 1 . 2 ]" 1 1413 1 106 PHE H 1 107 LYS QB 5.500 . 6.500 4.109 3.954 4.267 . 0 0 "[ . 1 . 2 ]" 1 1414 1 108 ASP H 1 109 ASP QB 5.500 . 6.500 4.500 4.190 4.884 . 0 0 "[ . 1 . 2 ]" 1 1415 1 111 ASP H 1 112 THR HB 5.500 . 5.500 4.736 4.466 4.869 . 0 0 "[ . 1 . 2 ]" 1 1416 1 1 THR MG 1 2 ALA H 4.500 . 5.500 2.184 1.844 2.811 . 0 0 "[ . 1 . 2 ]" 1 1417 1 4 LEU H 1 5 TRP HE3 3.500 . 3.500 2.579 2.289 2.883 . 0 0 "[ . 1 . 2 ]" 1 1418 1 4 LEU MD1 1 5 TRP H 3.500 . 4.500 3.347 3.141 3.518 . 0 0 "[ . 1 . 2 ]" 1 1419 1 4 LEU HA 1 5 TRP HE3 3.500 . 3.500 2.640 2.567 3.383 . 0 0 "[ . 1 . 2 ]" 1 1420 1 4 LEU HG 1 5 TRP H 4.500 . 4.500 3.120 2.784 3.231 . 0 0 "[ . 1 . 2 ]" 1 1421 1 5 TRP HD1 1 6 ALA H 4.500 . 4.500 4.338 4.143 4.503 0.003 15 0 "[ . 1 . 2 ]" 1 1422 1 7 GLN QE 1 8 ASP H 5.500 . 6.500 4.512 3.650 5.237 . 0 0 "[ . 1 . 2 ]" 1 1423 1 12 LEU MD2 1 13 ILE H 4.500 . 5.500 3.443 3.292 3.714 . 0 0 "[ . 1 . 2 ]" 1 1424 1 12 LEU MD1 1 13 ILE H 4.500 . 5.500 3.199 3.080 3.293 . 0 0 "[ . 1 . 2 ]" 1 1425 1 12 LEU HG 1 13 ILE H 3.500 . 3.500 1.800 1.694 1.986 . 0 0 "[ . 1 . 2 ]" 1 1426 1 12 LEU HG 1 13 ILE HA 5.500 . 5.500 4.375 4.209 4.442 . 0 0 "[ . 1 . 2 ]" 1 1427 1 13 ILE HA 1 14 GLY QA 5.500 . 6.500 4.248 4.239 4.261 . 0 0 "[ . 1 . 2 ]" 1 1428 1 17 GLY QA 1 18 HIS HD2 4.500 . 5.500 4.246 3.965 4.739 . 0 0 "[ . 1 . 2 ]" 1 1429 1 20 PRO QB 1 21 TRP HE3 3.500 . 4.500 3.144 3.089 3.392 . 0 0 "[ . 1 . 2 ]" 1 1430 1 20 PRO QG 1 21 TRP HE3 4.500 . 5.500 2.200 2.151 2.353 . 0 0 "[ . 1 . 2 ]" 1 1431 1 20 PRO QG 1 21 TRP HZ3 3.500 . 4.500 2.389 2.303 2.628 . 0 0 "[ . 1 . 2 ]" 1 1432 1 20 PRO QD 1 21 TRP H 3.500 . 4.500 2.047 1.970 2.104 . 0 0 "[ . 1 . 2 ]" 1 1433 1 21 TRP HD1 1 22 HIS HA 4.500 . 4.500 3.488 3.167 3.715 . 0 0 "[ . 1 . 2 ]" 1 1434 1 23 LEU HA 1 24 PRO HD3 2.500 . 3.000 2.908 2.868 2.930 . 0 0 "[ . 1 . 2 ]" 1 1435 1 23 LEU HA 1 24 PRO HD2 2.500 . 3.000 2.005 1.993 2.020 . 0 0 "[ . 1 . 2 ]" 1 1436 1 34 THR MG 1 35 VAL H 4.500 . 5.500 4.039 3.998 4.093 . 0 0 "[ . 1 . 2 ]" 1 1437 1 38 ILE MG 1 39 MET H 3.500 . 4.500 3.121 2.678 3.336 . 0 0 "[ . 1 . 2 ]" 1 1438 1 40 VAL MG1 1 41 VAL HA 4.500 . 5.500 3.682 3.547 3.759 . 0 0 "[ . 1 . 2 ]" 1 1439 1 40 VAL MG1 1 41 VAL H 3.500 . 4.500 2.866 2.622 3.004 . 0 0 "[ . 1 . 2 ]" 1 1440 1 41 VAL MG1 1 42 GLY H 4.500 . 5.500 3.639 3.547 3.720 . 0 0 "[ . 1 . 2 ]" 1 1441 1 41 VAL MG2 1 42 GLY H 4.500 . 5.500 3.370 3.076 3.594 . 0 0 "[ . 1 . 2 ]" 1 1442 1 44 ARG QG 1 45 THR H 5.500 . 5.500 3.867 2.064 4.208 . 0 0 "[ . 1 . 2 ]" 1 1443 1 45 THR MG 1 46 TYR H 4.500 . 5.500 3.884 3.831 4.063 . 0 0 "[ . 1 . 2 ]" 1 1444 1 47 GLU QG 1 48 SER H 5.500 . 5.500 4.256 4.124 4.381 . 0 0 "[ . 1 . 2 ]" 1 1445 1 50 PRO QG 1 51 LYS H 4.500 . 5.500 2.434 2.363 2.547 . 0 0 "[ . 1 . 2 ]" 1 1446 1 50 PRO QD 1 51 LYS H 3.500 . 4.500 2.393 2.212 2.462 . 0 0 "[ . 1 . 2 ]" 1 1447 1 52 ARG HA 1 53 PRO HA 3.500 . 3.500 2.331 2.252 2.407 . 0 0 "[ . 1 . 2 ]" 1 1448 1 54 LEU HA 1 55 PRO HD3 2.500 . 3.000 2.051 1.950 2.281 . 0 0 "[ . 1 . 2 ]" 1 1449 1 54 LEU HA 1 55 PRO HD2 2.500 . 3.000 2.505 2.331 2.729 . 0 0 "[ . 1 . 2 ]" 1 1450 1 54 LEU MD2 1 55 PRO HD3 4.500 . 5.000 3.432 3.160 3.731 . 0 0 "[ . 1 . 2 ]" 1 1451 1 54 LEU MD2 1 55 PRO HD2 4.500 . 5.000 3.433 3.000 3.690 . 0 0 "[ . 1 . 2 ]" 1 1452 1 56 GLU QG 1 57 ARG H 4.500 . 5.500 4.425 4.336 4.737 . 0 0 "[ . 1 . 2 ]" 1 1453 1 58 THR MG 1 59 ASN H 3.500 . 4.500 2.723 2.146 3.133 . 0 0 "[ . 1 . 2 ]" 1 1454 1 59 ASN HA 1 60 VAL MG2 4.500 . 5.500 3.740 3.595 3.884 . 0 0 "[ . 1 . 2 ]" 1 1455 1 60 VAL MG1 1 61 VAL H 3.500 . 4.500 2.778 2.151 3.453 . 0 0 "[ . 1 . 2 ]" 1 1456 1 61 VAL MG1 1 62 LEU H 3.500 . 4.500 2.753 2.436 2.971 . 0 0 "[ . 1 . 2 ]" 1 1457 1 62 LEU MD2 1 63 THR H 5.500 . 6.500 4.609 4.383 4.791 . 0 0 "[ . 1 . 2 ]" 1 1458 1 62 LEU MD1 1 63 THR H 3.500 . 4.500 3.186 2.949 3.442 . 0 0 "[ . 1 . 2 ]" 1 1459 1 62 LEU HG 1 63 THR H 3.500 . 3.500 3.063 2.763 3.305 . 0 0 "[ . 1 . 2 ]" 1 1460 1 74 VAL MG1 1 75 VAL H 4.500 . 5.500 3.372 3.231 3.460 . 0 0 "[ . 1 . 2 ]" 1 1461 1 75 VAL MG1 1 76 VAL H 3.500 . 4.500 3.249 2.777 3.414 . 0 0 "[ . 1 . 2 ]" 1 1462 1 76 VAL HA 1 77 HIS HD2 4.500 . 4.500 2.939 2.667 3.338 . 0 0 "[ . 1 . 2 ]" 1 1463 1 76 VAL MG1 1 77 HIS H 4.500 . 5.500 3.714 3.583 3.789 . 0 0 "[ . 1 . 2 ]" 1 1464 1 76 VAL MG2 1 77 HIS H 4.500 . 5.500 3.576 3.155 3.753 . 0 0 "[ . 1 . 2 ]" 1 1465 1 81 ALA H 1 82 VAL MG2 4.500 . 5.500 3.873 3.762 3.945 . 0 0 "[ . 1 . 2 ]" 1 1466 1 82 VAL MG1 1 83 PHE H 4.500 . 5.500 3.588 3.479 3.710 . 0 0 "[ . 1 . 2 ]" 1 1467 1 82 VAL MG2 1 83 PHE H 4.500 . 5.500 3.728 3.683 3.789 . 0 0 "[ . 1 . 2 ]" 1 1468 1 88 GLN H 1 89 HIS HD2 5.500 . 5.500 4.456 4.137 5.438 . 0 0 "[ . 1 . 2 ]" 1 1469 1 88 GLN HA 1 89 HIS HD2 5.500 . 5.500 4.156 3.919 4.441 . 0 0 "[ . 1 . 2 ]" 1 1470 1 88 GLN QB 1 89 HIS HD2 2.500 . 3.500 2.212 1.989 3.159 . 0 0 "[ . 1 . 2 ]" 1 1471 1 88 GLN QG 1 89 HIS HD2 5.500 . 6.500 3.665 2.070 5.223 . 0 0 "[ . 1 . 2 ]" 1 1472 1 90 PRO QD 1 91 ASP H 2.500 . 3.500 2.234 2.089 3.024 . 0 0 "[ . 1 . 2 ]" 1 1473 1 92 GLN QG 1 93 GLU H 4.500 . 5.500 3.665 1.701 4.149 . 0 0 "[ . 1 . 2 ]" 1 1474 1 96 ILE MG 1 97 ALA H 3.500 . 4.500 2.734 2.326 2.940 . 0 0 "[ . 1 . 2 ]" 1 1475 1 96 ILE MD 1 97 ALA H 4.500 . 5.500 3.772 3.694 3.811 . 0 0 "[ . 1 . 2 ]" 1 1476 1 102 ILE MG 1 103 PHE H 4.500 . 5.000 3.667 3.595 3.757 . 0 0 "[ . 1 . 2 ]" 1 1477 1 107 LYS QG 1 108 ASP H 4.500 . 5.500 3.285 2.056 4.694 . 0 0 "[ . 1 . 2 ]" 1 1478 1 110 VAL MG2 1 111 ASP H 4.500 . 5.500 2.086 1.929 2.360 . 0 0 "[ . 1 . 2 ]" 1 1479 1 112 THR HA 1 113 LEU HG 4.500 . 4.500 4.047 3.666 4.373 . 0 0 "[ . 1 . 2 ]" 1 1480 1 112 THR MG 1 113 LEU H 4.500 . 5.500 2.389 1.792 3.173 . 0 0 "[ . 1 . 2 ]" 1 1481 1 116 THR MG 1 117 ARG H 3.500 . 4.500 3.287 3.074 3.391 . 0 0 "[ . 1 . 2 ]" 1 1482 1 118 LEU HG 1 119 ALA H 5.500 . 5.500 3.476 3.352 3.598 . 0 0 "[ . 1 . 2 ]" 1 1483 1 123 GLU QG 1 124 GLY H 4.500 . 5.500 3.204 2.008 4.452 . 0 0 "[ . 1 . 2 ]" 1 1484 1 126 THR MG 1 127 LYS H 4.500 . 5.500 2.396 2.006 2.978 . 0 0 "[ . 1 . 2 ]" 1 1485 1 128 MET ME 1 129 ILE H 4.500 . 5.500 2.555 2.445 2.884 . 0 0 "[ . 1 . 2 ]" 1 1486 1 128 MET QG 1 129 ILE H 4.500 . 5.500 2.454 2.005 3.018 . 0 0 "[ . 1 . 2 ]" 1 1487 1 128 MET ME 1 129 ILE MD 3.500 . 5.500 2.805 2.476 3.058 . 0 0 "[ . 1 . 2 ]" 1 1488 1 128 MET ME 1 129 ILE HG13 3.500 . 4.500 2.690 2.302 3.036 . 0 0 "[ . 1 . 2 ]" 1 1489 1 128 MET ME 1 129 ILE HG12 3.500 . 4.500 1.979 1.923 2.202 . 0 0 "[ . 1 . 2 ]" 1 1490 1 131 LEU HG 1 132 ASN H 5.500 . 5.500 4.852 4.739 4.965 . 0 0 "[ . 1 . 2 ]" 1 1491 1 132 ASN HA 1 133 TRP HD1 5.500 . 5.500 4.206 3.856 4.342 . 0 0 "[ . 1 . 2 ]" 1 1492 1 133 TRP HD1 1 134 ASP H 4.500 . 5.000 4.621 4.465 4.748 . 0 0 "[ . 1 . 2 ]" 1 1493 1 137 THR MG 1 138 LYS H 3.500 . 4.500 2.496 2.174 2.934 . 0 0 "[ . 1 . 2 ]" 1 1494 1 138 LYS QG 1 139 VAL H 4.500 . 5.500 2.465 1.860 3.086 . 0 0 "[ . 1 . 2 ]" 1 1495 1 147 THR MG 1 148 ASN H 4.500 . 5.500 4.001 3.915 4.086 . 0 0 "[ . 1 . 2 ]" 1 1496 1 148 ASN HA 1 149 PRO QD 2.500 . 3.500 2.002 1.936 2.022 . 0 0 "[ . 1 . 2 ]" 1 1497 1 152 THR MG 1 153 HIS H 3.500 . 4.500 2.459 2.097 3.730 . 0 0 "[ . 1 . 2 ]" 1 1498 1 152 THR HA 1 153 HIS HE1 5.500 . 6.500 4.380 4.216 4.551 . 0 0 "[ . 1 . 2 ]" 1 1499 1 154 THR MG 1 155 TYR H 3.500 . 4.500 2.404 2.240 2.606 . 0 0 "[ . 1 . 2 ]" 1 1500 1 154 THR MG 1 155 TYR HA 5.500 . 6.500 4.154 4.068 4.279 . 0 0 "[ . 1 . 2 ]" 1 1501 1 157 VAL HA 1 158 TRP HD1 3.500 . 3.500 3.250 3.126 3.423 . 0 0 "[ . 1 . 2 ]" 1 1502 1 3 PHE HA 1 3 PHE QD 2.500 . 3.500 2.841 2.692 2.923 . 0 0 "[ . 1 . 2 ]" 1 1503 1 3 PHE H 1 3 PHE QD 4.500 . 4.500 2.360 2.065 2.586 . 0 0 "[ . 1 . 2 ]" 1 1504 1 19 LEU HA 1 19 LEU QD 2.500 . 3.000 2.171 1.992 2.282 . 0 0 "[ . 1 . 2 ]" 1 1505 1 29 TYR HA 1 29 TYR QD 3.500 . 3.500 2.158 2.115 2.208 . 0 0 "[ . 1 . 2 ]" 1 1506 1 30 PHE HA 1 30 PHE QD 3.500 . 3.500 2.476 2.238 2.729 . 0 0 "[ . 1 . 2 ]" 1 1507 1 30 PHE HB3 1 30 PHE QD 2.500 . 3.000 2.323 2.301 2.369 . 0 0 "[ . 1 . 2 ]" 1 1508 1 30 PHE HB2 1 30 PHE QD 2.500 . 3.000 2.554 2.464 2.639 . 0 0 "[ . 1 . 2 ]" 1 1509 1 35 VAL H 1 35 VAL QG 3.500 . 3.500 1.692 1.666 1.721 . 0 0 "[ . 1 . 2 ]" 1 1510 1 39 MET QB 1 39 MET ME 3.500 . 4.500 2.170 1.951 2.427 . 0 0 "[ . 1 . 2 ]" 1 1511 1 46 TYR HA 1 46 TYR QD 2.500 . 2.500 2.323 2.181 2.484 . 0 0 "[ . 1 . 2 ]" 1 1512 1 46 TYR H 1 46 TYR QD 5.500 . 5.500 4.128 4.053 4.154 . 0 0 "[ . 1 . 2 ]" 1 1513 1 49 PHE HA 1 49 PHE QD 2.500 . 3.000 2.138 2.081 2.250 . 0 0 "[ . 1 . 2 ]" 1 1514 1 68 TYR HA 1 68 TYR QD 3.500 . 3.500 2.617 2.303 2.963 . 0 0 "[ . 1 . 2 ]" 1 1515 1 68 TYR HB3 1 68 TYR QD 2.500 . 3.000 2.352 2.304 2.453 . 0 0 "[ . 1 . 2 ]" 1 1516 1 68 TYR H 1 68 TYR QD 5.500 . 5.500 4.139 4.104 4.174 . 0 0 "[ . 1 . 2 ]" 1 1517 1 79 VAL H 1 79 VAL QG 2.500 . 3.500 1.969 1.916 2.062 . 0 0 "[ . 1 . 2 ]" 1 1518 1 79 VAL HA 1 79 VAL QG 2.500 . 3.500 2.105 2.037 2.138 . 0 0 "[ . 1 . 2 ]" 1 1519 1 83 PHE HA 1 83 PHE QD 3.500 . 3.500 2.198 2.156 2.239 . 0 0 "[ . 1 . 2 ]" 1 1520 1 83 PHE H 1 83 PHE QD 4.500 . 4.500 3.079 2.995 3.222 . 0 0 "[ . 1 . 2 ]" 1 1521 1 85 TYR HA 1 85 TYR QD 3.500 . 3.500 2.843 2.387 3.021 . 0 0 "[ . 1 . 2 ]" 1 1522 1 85 TYR H 1 85 TYR QD 4.500 . 5.000 4.184 4.148 4.242 . 0 0 "[ . 1 . 2 ]" 1 1523 1 85 TYR HA 1 85 TYR QE 5.500 . 5.500 4.487 4.318 4.551 . 0 0 "[ . 1 . 2 ]" 1 1524 1 94 LEU HA 1 94 LEU QD 3.500 . 3.500 2.203 2.047 2.687 . 0 0 "[ . 1 . 2 ]" 1 1525 1 102 ILE HA 1 102 ILE QG 3.500 . 3.500 2.999 2.996 3.003 . 0 0 "[ . 1 . 2 ]" 1 1526 1 106 PHE HA 1 106 PHE QD 3.500 . 3.500 2.739 2.440 3.089 . 0 0 "[ . 1 . 2 ]" 1 1527 1 106 PHE H 1 106 PHE QD 3.500 . 4.000 2.867 1.969 3.368 . 0 0 "[ . 1 . 2 ]" 1 1528 1 106 PHE H 1 106 PHE QE 5.500 . 5.500 4.925 4.298 5.306 . 0 0 "[ . 1 . 2 ]" 1 1529 1 110 VAL H 1 110 VAL QG 3.500 . 3.500 1.866 1.791 1.970 . 0 0 "[ . 1 . 2 ]" 1 1530 1 115 VAL H 1 115 VAL QG 3.500 . 3.500 1.931 1.825 2.128 . 0 0 "[ . 1 . 2 ]" 1 1531 1 117 ARG HA 1 118 LEU MD1 4.500 . 5.500 3.524 3.415 3.698 . 0 0 "[ . 1 . 2 ]" 1 1532 1 122 PHE HA 1 122 PHE QD 3.500 . 3.500 2.638 2.373 2.834 . 0 0 "[ . 1 . 2 ]" 1 1533 1 136 PHE HA 1 136 PHE QD 3.500 . 3.500 2.619 2.440 2.916 . 0 0 "[ . 1 . 2 ]" 1 1534 1 136 PHE H 1 136 PHE QD 4.500 . 4.500 3.341 2.203 3.681 . 0 0 "[ . 1 . 2 ]" 1 1535 1 139 VAL H 1 139 VAL QG 3.500 . 3.500 1.928 1.679 2.215 . 0 0 "[ . 1 . 2 ]" 1 1536 1 155 TYR HB3 1 155 TYR QD 3.500 . 3.500 2.460 2.397 2.606 . 0 0 "[ . 1 . 2 ]" 1 1537 1 155 TYR HB2 1 155 TYR QD 3.500 . 3.500 2.376 2.307 2.428 . 0 0 "[ . 1 . 2 ]" 1 1538 1 155 TYR HA 1 155 TYR QD 3.500 . 3.500 2.739 2.349 2.914 . 0 0 "[ . 1 . 2 ]" 1 1539 1 155 TYR H 1 155 TYR QD 4.500 . 4.500 2.486 2.278 2.883 . 0 0 "[ . 1 . 2 ]" 1 1540 1 157 VAL H 1 157 VAL QG 3.500 . 3.500 2.680 2.547 2.821 . 0 0 "[ . 1 . 2 ]" 1 1541 1 1 THR HA 1 1 THR MG 3.500 . 3.500 2.204 2.122 2.314 . 0 0 "[ . 1 . 2 ]" 1 1542 1 3 PHE H 1 3 PHE HB2 3.500 . 3.500 2.274 2.180 2.351 . 0 0 "[ . 1 . 2 ]" 1 1543 1 4 LEU HA 1 4 LEU MD1 2.500 . 3.500 2.313 2.183 2.450 . 0 0 "[ . 1 . 2 ]" 1 1544 1 4 LEU HA 1 4 LEU HG 4.500 . 4.500 2.704 2.638 2.777 . 0 0 "[ . 1 . 2 ]" 1 1545 1 4 LEU H 1 4 LEU HB3 3.500 . 3.500 3.013 2.821 3.144 . 0 0 "[ . 1 . 2 ]" 1 1546 1 5 TRP H 1 5 TRP HE3 3.500 . 3.500 2.266 2.216 3.129 . 0 0 "[ . 1 . 2 ]" 1 1547 1 5 TRP HA 1 5 TRP HE3 5.500 . 5.500 4.036 4.000 4.385 . 0 0 "[ . 1 . 2 ]" 1 1548 1 5 TRP QB 1 5 TRP HE3 3.500 . 4.500 2.828 2.615 2.845 . 0 0 "[ . 1 . 2 ]" 1 1549 1 7 GLN H 1 7 GLN HB3 3.500 . 3.500 3.272 3.221 3.332 . 0 0 "[ . 1 . 2 ]" 1 1550 1 8 ASP H 1 8 ASP HB3 3.500 . 3.500 3.023 2.962 3.107 . 0 0 "[ . 1 . 2 ]" 1 1551 1 9 ARG H 1 9 ARG HB3 3.500 . 3.500 2.638 2.632 2.646 . 0 0 "[ . 1 . 2 ]" 1 1552 1 9 ARG H 1 9 ARG QG 3.500 . 4.500 1.944 1.836 2.082 . 0 0 "[ . 1 . 2 ]" 1 1553 1 9 ARG H 1 9 ARG QD 5.500 . 6.500 3.841 3.526 4.095 . 0 0 "[ . 1 . 2 ]" 1 1554 1 10 ASP H 1 10 ASP HB2 2.500 . 3.000 2.304 2.210 2.421 . 0 0 "[ . 1 . 2 ]" 1 1555 1 12 LEU H 1 12 LEU HB3 3.500 . 3.500 2.889 2.814 2.918 . 0 0 "[ . 1 . 2 ]" 1 1556 1 12 LEU H 1 12 LEU HB2 3.500 . 3.500 2.663 2.564 2.967 . 0 0 "[ . 1 . 2 ]" 1 1557 1 12 LEU HA 1 12 LEU MD1 3.500 . 4.500 2.039 1.974 2.194 . 0 0 "[ . 1 . 2 ]" 1 1558 1 12 LEU HA 1 12 LEU MD2 4.500 . 5.500 3.748 3.736 3.797 . 0 0 "[ . 1 . 2 ]" 1 1559 1 13 ILE HA 1 13 ILE MG 3.500 . 4.500 2.356 2.302 2.486 . 0 0 "[ . 1 . 2 ]" 1 1560 1 13 ILE HB 1 13 ILE MD 3.500 . 4.500 2.317 1.993 3.221 . 0 0 "[ . 1 . 2 ]" 1 1561 1 15 LYS H 1 15 LYS HB3 3.500 . 3.500 3.179 3.101 3.263 . 0 0 "[ . 1 . 2 ]" 1 1562 1 16 ASP H 1 16 ASP HB2 3.500 . 3.500 3.302 3.269 3.510 0.010 13 0 "[ . 1 . 2 ]" 1 1563 1 19 LEU HA 1 19 LEU HG 2.500 . 3.000 2.615 2.467 2.693 . 0 0 "[ . 1 . 2 ]" 1 1564 1 21 TRP HB2 1 21 TRP HD1 3.500 . 3.500 2.704 2.690 2.737 . 0 0 "[ . 1 . 2 ]" 1 1565 1 21 TRP HB3 1 21 TRP HE3 3.500 . 3.500 2.561 2.534 2.574 . 0 0 "[ . 1 . 2 ]" 1 1566 1 22 HIS H 1 22 HIS HB3 3.500 . 3.500 2.816 2.709 2.940 . 0 0 "[ . 1 . 2 ]" 1 1567 1 22 HIS HB3 1 22 HIS HD2 3.500 . 3.500 2.751 2.749 2.753 . 0 0 "[ . 1 . 2 ]" 1 1568 1 23 LEU HA 1 23 LEU MD1 2.500 . 3.500 1.981 1.950 2.017 . 0 0 "[ . 1 . 2 ]" 1 1569 1 25 ASP H 1 25 ASP HB2 3.500 . 3.500 2.272 2.230 2.352 . 0 0 "[ . 1 . 2 ]" 1 1570 1 26 ASP H 1 26 ASP HB3 2.500 . 3.000 2.597 2.572 2.613 . 0 0 "[ . 1 . 2 ]" 1 1571 1 26 ASP H 1 26 ASP HB2 3.500 . 3.500 2.514 2.500 2.554 . 0 0 "[ . 1 . 2 ]" 1 1572 1 27 LEU H 1 27 LEU HB2 2.500 . 2.500 2.476 2.335 2.513 0.013 19 0 "[ . 1 . 2 ]" 1 1573 1 27 LEU HA 1 27 LEU MD2 2.500 . 3.500 2.085 2.013 2.145 . 0 0 "[ . 1 . 2 ]" 1 1574 1 27 LEU H 1 27 LEU MD1 4.500 . 5.500 3.505 3.474 3.585 . 0 0 "[ . 1 . 2 ]" 1 1575 1 27 LEU H 1 27 LEU MD2 4.500 . 5.500 3.401 3.323 3.653 . 0 0 "[ . 1 . 2 ]" 1 1576 1 28 HIS H 1 28 HIS QB 3.500 . 4.500 2.283 2.244 2.322 . 0 0 "[ . 1 . 2 ]" 1 1577 1 29 TYR H 1 29 TYR HB2 3.500 . 3.500 2.455 2.358 2.504 . 0 0 "[ . 1 . 2 ]" 1 1578 1 30 PHE H 1 30 PHE HB3 3.500 . 3.500 2.661 2.632 2.683 . 0 0 "[ . 1 . 2 ]" 1 1579 1 30 PHE H 1 30 PHE HB2 3.500 . 3.500 2.456 2.436 2.487 . 0 0 "[ . 1 . 2 ]" 1 1580 1 30 PHE H 1 30 PHE QB 2.500 . 3.500 2.266 2.262 2.274 . 0 0 "[ . 1 . 2 ]" 1 1581 1 31 ARG HA 1 31 ARG QG 3.500 . 4.500 2.237 2.059 2.456 . 0 0 "[ . 1 . 2 ]" 1 1582 1 33 GLN H 1 33 GLN HB2 2.500 . 2.500 2.387 2.317 2.473 . 0 0 "[ . 1 . 2 ]" 1 1583 1 33 GLN H 1 33 GLN QG 3.500 . 4.500 2.959 2.594 3.813 . 0 0 "[ . 1 . 2 ]" 1 1584 1 34 THR H 1 34 THR MG 3.500 . 4.500 3.146 3.024 3.193 . 0 0 "[ . 1 . 2 ]" 1 1585 1 34 THR HA 1 34 THR MG 3.500 . 4.500 2.313 2.293 2.337 . 0 0 "[ . 1 . 2 ]" 1 1586 1 37 LYS H 1 37 LYS HB2 3.500 . 3.500 2.748 2.396 2.872 . 0 0 "[ . 1 . 2 ]" 1 1587 1 38 ILE H 1 38 ILE HB 3.500 . 3.500 2.574 2.565 2.601 . 0 0 "[ . 1 . 2 ]" 1 1588 1 38 ILE H 1 38 ILE MG 4.500 . 5.500 3.815 3.789 3.843 . 0 0 "[ . 1 . 2 ]" 1 1589 1 40 VAL H 1 40 VAL HB 3.500 . 3.500 2.658 2.571 2.830 . 0 0 "[ . 1 . 2 ]" 1 1590 1 40 VAL H 1 40 VAL MG1 4.500 . 5.500 3.865 3.817 3.949 . 0 0 "[ . 1 . 2 ]" 1 1591 1 40 VAL H 1 40 VAL MG2 3.500 . 4.500 2.493 2.233 2.868 . 0 0 "[ . 1 . 2 ]" 1 1592 1 40 VAL HA 1 40 VAL MG1 3.500 . 4.500 2.310 2.247 2.359 . 0 0 "[ . 1 . 2 ]" 1 1593 1 40 VAL HA 1 40 VAL MG2 3.500 . 4.500 2.380 2.341 2.432 . 0 0 "[ . 1 . 2 ]" 1 1594 1 41 VAL H 1 41 VAL MG1 4.500 . 5.500 3.008 2.951 3.170 . 0 0 "[ . 1 . 2 ]" 1 1595 1 41 VAL H 1 41 VAL MG2 3.500 . 4.500 2.172 1.984 2.326 . 0 0 "[ . 1 . 2 ]" 1 1596 1 41 VAL HA 1 41 VAL MG1 2.500 . 3.500 2.340 2.201 2.375 . 0 0 "[ . 1 . 2 ]" 1 1597 1 43 ARG H 1 43 ARG HB3 3.500 . 4.000 2.892 2.663 3.612 . 0 0 "[ . 1 . 2 ]" 1 1598 1 44 ARG H 1 44 ARG QB 3.500 . 4.500 2.338 2.196 2.618 . 0 0 "[ . 1 . 2 ]" 1 1599 1 44 ARG H 1 44 ARG QD 5.500 . 5.500 4.109 3.331 4.780 . 0 0 "[ . 1 . 2 ]" 1 1600 1 45 THR H 1 45 THR HB 3.500 . 3.500 2.655 2.613 2.824 . 0 0 "[ . 1 . 2 ]" 1 1601 1 45 THR HA 1 45 THR MG 3.500 . 4.500 2.261 2.106 2.343 . 0 0 "[ . 1 . 2 ]" 1 1602 1 46 TYR H 1 46 TYR QB 3.500 . 4.500 2.255 2.226 2.269 . 0 0 "[ . 1 . 2 ]" 1 1603 1 47 GLU H 1 47 GLU HB2 2.500 . 2.500 2.376 2.278 2.455 . 0 0 "[ . 1 . 2 ]" 1 1604 1 48 SER H 1 48 SER QB 3.500 . 4.500 2.348 2.212 2.519 . 0 0 "[ . 1 . 2 ]" 1 1605 1 49 PHE H 1 49 PHE QB 3.500 . 4.500 2.388 2.223 2.537 . 0 0 "[ . 1 . 2 ]" 1 1606 1 51 LYS H 1 51 LYS QB 3.500 . 4.500 2.617 2.322 3.047 . 0 0 "[ . 1 . 2 ]" 1 1607 1 54 LEU H 1 54 LEU HB2 3.500 . 3.500 2.519 2.330 2.638 . 0 0 "[ . 1 . 2 ]" 1 1608 1 54 LEU H 1 54 LEU MD1 4.500 . 5.500 3.573 3.367 3.905 . 0 0 "[ . 1 . 2 ]" 1 1609 1 54 LEU H 1 54 LEU MD2 4.500 . 5.500 3.490 3.201 3.861 . 0 0 "[ . 1 . 2 ]" 1 1610 1 54 LEU HA 1 54 LEU MD1 4.500 . 5.500 3.834 3.776 3.884 . 0 0 "[ . 1 . 2 ]" 1 1611 1 54 LEU HA 1 54 LEU MD2 3.500 . 4.500 2.047 1.955 2.146 . 0 0 "[ . 1 . 2 ]" 1 1612 1 57 ARG H 1 57 ARG HE 4.500 . 5.000 3.924 3.740 4.734 . 0 0 "[ . 1 . 2 ]" 1 1613 1 58 THR HA 1 58 THR MG 2.500 . 3.500 2.235 2.119 2.317 . 0 0 "[ . 1 . 2 ]" 1 1614 1 58 THR H 1 58 THR MG 4.500 . 5.500 3.839 3.766 3.908 . 0 0 "[ . 1 . 2 ]" 1 1615 1 59 ASN H 1 59 ASN HB2 3.500 . 3.500 2.444 2.311 2.653 . 0 0 "[ . 1 . 2 ]" 1 1616 1 59 ASN H 1 59 ASN QD 3.500 . 4.500 2.799 1.943 3.788 . 0 0 "[ . 1 . 2 ]" 1 1617 1 60 VAL H 1 60 VAL HB 3.500 . 3.500 2.625 2.570 2.725 . 0 0 "[ . 1 . 2 ]" 1 1618 1 60 VAL H 1 60 VAL MG1 4.500 . 5.500 3.855 3.813 3.907 . 0 0 "[ . 1 . 2 ]" 1 1619 1 60 VAL H 1 60 VAL MG2 3.500 . 4.500 2.445 2.235 2.692 . 0 0 "[ . 1 . 2 ]" 1 1620 1 60 VAL HA 1 60 VAL MG2 3.500 . 4.500 2.396 2.350 2.441 . 0 0 "[ . 1 . 2 ]" 1 1621 1 61 VAL H 1 61 VAL HB 3.500 . 3.500 2.671 2.566 2.820 . 0 0 "[ . 1 . 2 ]" 1 1622 1 61 VAL H 1 61 VAL MG1 4.500 . 5.500 3.868 3.790 3.945 . 0 0 "[ . 1 . 2 ]" 1 1623 1 61 VAL H 1 61 VAL MG2 3.500 . 4.500 2.477 2.081 2.864 . 0 0 "[ . 1 . 2 ]" 1 1624 1 61 VAL HA 1 61 VAL MG1 3.500 . 4.500 2.299 2.240 2.360 . 0 0 "[ . 1 . 2 ]" 1 1625 1 61 VAL HA 1 61 VAL MG2 3.500 . 4.500 2.393 2.341 2.436 . 0 0 "[ . 1 . 2 ]" 1 1626 1 62 LEU HA 1 62 LEU HB2 2.500 . 3.000 2.540 2.529 2.556 . 0 0 "[ . 1 . 2 ]" 1 1627 1 62 LEU H 1 62 LEU HB3 3.500 . 3.500 2.645 2.613 2.679 . 0 0 "[ . 1 . 2 ]" 1 1628 1 62 LEU H 1 62 LEU HB2 3.500 . 3.500 2.746 2.667 2.852 . 0 0 "[ . 1 . 2 ]" 1 1629 1 62 LEU HA 1 62 LEU MD1 2.500 . 3.500 2.158 2.043 2.249 . 0 0 "[ . 1 . 2 ]" 1 1630 1 62 LEU HA 1 62 LEU MD2 4.500 . 5.500 3.819 3.807 3.828 . 0 0 "[ . 1 . 2 ]" 1 1631 1 63 THR H 1 63 THR MG 3.500 . 4.500 2.196 2.030 2.325 . 0 0 "[ . 1 . 2 ]" 1 1632 1 63 THR HA 1 63 THR MG 3.500 . 4.500 3.195 3.190 3.197 . 0 0 "[ . 1 . 2 ]" 1 1633 1 64 HIS HA 1 64 HIS HD2 4.500 . 4.500 3.746 2.278 4.466 . 0 0 "[ . 1 . 2 ]" 1 1634 1 66 GLU H 1 66 GLU QB 2.500 . 3.500 2.375 2.268 2.728 . 0 0 "[ . 1 . 2 ]" 1 1635 1 66 GLU H 1 66 GLU QG 3.500 . 4.500 3.152 1.744 4.041 . 0 0 "[ . 1 . 2 ]" 1 1636 1 67 ASP H 1 67 ASP HB2 3.500 . 3.500 2.643 2.300 3.598 0.098 16 0 "[ . 1 . 2 ]" 1 1637 1 68 TYR H 1 68 TYR HB3 3.500 . 3.500 2.733 2.677 2.784 . 0 0 "[ . 1 . 2 ]" 1 1638 1 68 TYR H 1 68 TYR HB2 2.500 . 3.000 2.406 2.350 2.456 . 0 0 "[ . 1 . 2 ]" 1 1639 1 69 GLN H 1 69 GLN HB2 2.500 . 3.000 2.754 2.488 2.847 . 0 0 "[ . 1 . 2 ]" 1 1640 1 69 GLN H 1 69 GLN QG 3.500 . 4.500 3.244 2.979 3.477 . 0 0 "[ . 1 . 2 ]" 1 1641 1 74 VAL H 1 74 VAL HB 3.500 . 3.500 2.574 2.566 2.587 . 0 0 "[ . 1 . 2 ]" 1 1642 1 74 VAL H 1 74 VAL MG1 4.500 . 5.500 3.791 3.777 3.821 . 0 0 "[ . 1 . 2 ]" 1 1643 1 74 VAL H 1 74 VAL MG2 3.500 . 4.500 2.119 1.991 2.314 . 0 0 "[ . 1 . 2 ]" 1 1644 1 74 VAL HA 1 74 VAL MG1 3.500 . 4.500 2.311 2.242 2.358 . 0 0 "[ . 1 . 2 ]" 1 1645 1 74 VAL HA 1 74 VAL MG2 3.500 . 4.500 2.384 2.344 2.425 . 0 0 "[ . 1 . 2 ]" 1 1646 1 75 VAL H 1 75 VAL HB 3.500 . 3.500 2.574 2.567 2.587 . 0 0 "[ . 1 . 2 ]" 1 1647 1 75 VAL H 1 75 VAL MG2 3.500 . 4.500 2.096 2.006 2.300 . 0 0 "[ . 1 . 2 ]" 1 1648 1 75 VAL HA 1 75 VAL MG2 3.500 . 4.500 2.399 2.358 2.434 . 0 0 "[ . 1 . 2 ]" 1 1649 1 76 VAL H 1 76 VAL MG1 4.500 . 5.500 2.534 2.399 3.014 . 0 0 "[ . 1 . 2 ]" 1 1650 1 76 VAL H 1 76 VAL MG2 3.500 . 4.500 1.828 1.704 2.018 . 0 0 "[ . 1 . 2 ]" 1 1651 1 76 VAL HA 1 76 VAL MG1 2.500 . 3.500 2.306 2.229 2.367 . 0 0 "[ . 1 . 2 ]" 1 1652 1 77 HIS H 1 77 HIS HB2 3.500 . 3.500 2.762 2.686 2.845 . 0 0 "[ . 1 . 2 ]" 1 1653 1 77 HIS HA 1 77 HIS HD2 4.500 . 4.500 3.998 3.748 4.225 . 0 0 "[ . 1 . 2 ]" 1 1654 1 77 HIS HB2 1 77 HIS HD2 3.500 . 3.500 2.943 2.854 3.051 . 0 0 "[ . 1 . 2 ]" 1 1655 1 79 VAL H 1 79 VAL HB 3.500 . 3.500 2.600 2.594 2.611 . 0 0 "[ . 1 . 2 ]" 1 1656 1 82 VAL H 1 82 VAL HB 3.500 . 3.500 2.598 2.590 2.604 . 0 0 "[ . 1 . 2 ]" 1 1657 1 82 VAL H 1 82 VAL MG1 4.500 . 5.500 3.773 3.771 3.774 . 0 0 "[ . 1 . 2 ]" 1 1658 1 82 VAL H 1 82 VAL MG2 2.500 . 3.500 2.071 1.899 2.133 . 0 0 "[ . 1 . 2 ]" 1 1659 1 82 VAL HA 1 82 VAL MG1 2.500 . 3.500 2.308 2.247 2.358 . 0 0 "[ . 1 . 2 ]" 1 1660 1 82 VAL HA 1 82 VAL MG2 2.500 . 3.500 2.361 2.331 2.449 . 0 0 "[ . 1 . 2 ]" 1 1661 1 83 PHE H 1 83 PHE HB2 2.500 . 2.500 2.298 2.224 2.362 . 0 0 "[ . 1 . 2 ]" 1 1662 1 85 TYR H 1 85 TYR HB3 4.000 . 4.000 2.681 2.644 2.725 . 0 0 "[ . 1 . 2 ]" 1 1663 1 85 TYR H 1 85 TYR HB2 3.500 . 3.500 2.458 2.410 2.597 . 0 0 "[ . 1 . 2 ]" 1 1664 1 87 LYS HA 1 87 LYS QB 2.500 . 3.500 2.442 2.200 2.491 . 0 0 "[ . 1 . 2 ]" 1 1665 1 88 GLN HA 1 88 GLN QB 2.500 . 3.500 2.426 2.199 2.515 . 0 0 "[ . 1 . 2 ]" 1 1666 1 88 GLN HA 1 88 GLN QE 4.500 . 5.500 4.054 2.271 4.744 . 0 0 "[ . 1 . 2 ]" 1 1667 1 89 HIS H 1 89 HIS HB2 3.500 . 3.500 2.508 2.450 2.700 . 0 0 "[ . 1 . 2 ]" 1 1668 1 89 HIS HA 1 89 HIS HD2 3.500 . 3.500 3.266 2.362 3.496 . 0 0 "[ . 1 . 2 ]" 1 1669 1 89 HIS H 1 89 HIS HD2 4.500 . 4.500 3.204 2.932 3.795 . 0 0 "[ . 1 . 2 ]" 1 1670 1 89 HIS HB3 1 89 HIS HD2 3.500 . 4.000 3.956 3.482 4.002 0.002 3 0 "[ . 1 . 2 ]" 1 1671 1 91 ASP H 1 91 ASP QB 3.500 . 4.500 2.400 2.238 2.701 . 0 0 "[ . 1 . 2 ]" 1 1672 1 92 GLN H 1 92 GLN HB2 2.500 . 2.500 2.425 2.320 2.499 . 0 0 "[ . 1 . 2 ]" 1 1673 1 93 GLU H 1 93 GLU HB2 3.500 . 3.500 2.614 2.333 2.762 . 0 0 "[ . 1 . 2 ]" 1 1674 1 94 LEU H 1 94 LEU QB 2.500 . 3.500 2.324 2.172 2.418 . 0 0 "[ . 1 . 2 ]" 1 1675 1 95 VAL H 1 95 VAL HB 3.500 . 3.500 2.781 2.620 2.908 . 0 0 "[ . 1 . 2 ]" 1 1676 1 96 ILE H 1 96 ILE MD 3.500 . 4.500 3.318 3.257 3.390 . 0 0 "[ . 1 . 2 ]" 1 1677 1 96 ILE HB 1 96 ILE MD 3.500 . 4.500 3.217 3.216 3.218 . 0 0 "[ . 1 . 2 ]" 1 1678 1 96 ILE HA 1 96 ILE MD 2.500 . 3.500 2.031 1.972 2.078 . 0 0 "[ . 1 . 2 ]" 1 1679 1 96 ILE HA 1 96 ILE MG 3.500 . 4.500 2.341 2.309 2.361 . 0 0 "[ . 1 . 2 ]" 1 1680 1 96 ILE H 1 96 ILE HB 3.500 . 3.500 2.593 2.576 2.615 . 0 0 "[ . 1 . 2 ]" 1 1681 1 96 ILE H 1 96 ILE QG 3.500 . 4.500 2.294 2.209 2.399 . 0 0 "[ . 1 . 2 ]" 1 1682 1 96 ILE H 1 96 ILE MG 4.500 . 5.500 3.830 3.815 3.850 . 0 0 "[ . 1 . 2 ]" 1 1683 1 101 GLN H 1 101 GLN HB2 3.500 . 3.500 2.522 2.304 3.594 0.094 3 0 "[ . 1 . 2 ]" 1 1684 1 102 ILE H 1 102 ILE HB 3.500 . 3.500 2.579 2.566 2.590 . 0 0 "[ . 1 . 2 ]" 1 1685 1 102 ILE H 1 102 ILE QG 3.500 . 4.500 2.020 1.973 2.089 . 0 0 "[ . 1 . 2 ]" 1 1686 1 102 ILE H 1 102 ILE MD 4.500 . 5.500 3.119 3.072 3.183 . 0 0 "[ . 1 . 2 ]" 1 1687 1 103 PHE H 1 103 PHE HB2 3.500 . 3.500 2.354 2.293 2.414 . 0 0 "[ . 1 . 2 ]" 1 1688 1 104 THR H 1 104 THR HB 3.500 . 3.500 2.975 2.639 3.514 0.014 21 0 "[ . 1 . 2 ]" 1 1689 1 104 THR HA 1 104 THR MG 3.500 . 4.500 2.336 2.031 3.199 . 0 0 "[ . 1 . 2 ]" 1 1690 1 104 THR H 1 104 THR MG 4.500 . 5.500 3.219 1.802 3.745 . 0 0 "[ . 1 . 2 ]" 1 1691 1 105 ALA H 1 105 ALA MB 2.500 . 3.500 2.235 2.186 2.271 . 0 0 "[ . 1 . 2 ]" 1 1692 1 106 PHE H 1 106 PHE HB2 2.500 . 3.000 2.426 2.301 2.565 . 0 0 "[ . 1 . 2 ]" 1 1693 1 107 LYS H 1 107 LYS QB 3.500 . 4.500 2.404 2.129 2.606 . 0 0 "[ . 1 . 2 ]" 1 1694 1 107 LYS H 1 107 LYS QG 3.500 . 4.500 2.999 1.816 4.069 . 0 0 "[ . 1 . 2 ]" 1 1695 1 107 LYS H 1 107 LYS QD 4.500 . 5.500 4.077 3.299 4.612 . 0 0 "[ . 1 . 2 ]" 1 1696 1 108 ASP H 1 108 ASP HB3 3.500 . 3.500 2.782 2.708 2.857 . 0 0 "[ . 1 . 2 ]" 1 1697 1 108 ASP H 1 108 ASP HB2 3.500 . 3.500 2.382 2.292 2.477 . 0 0 "[ . 1 . 2 ]" 1 1698 1 109 ASP H 1 109 ASP HB2 3.500 . 3.500 2.688 2.357 2.880 . 0 0 "[ . 1 . 2 ]" 1 1699 1 110 VAL HA 1 110 VAL MG2 3.500 . 3.500 2.291 2.277 2.319 . 0 0 "[ . 1 . 2 ]" 1 1700 1 110 VAL H 1 110 VAL HB 3.500 . 3.500 2.800 2.685 2.935 . 0 0 "[ . 1 . 2 ]" 1 1701 1 112 THR H 1 112 THR HB 3.500 . 3.500 2.708 2.607 2.786 . 0 0 "[ . 1 . 2 ]" 1 1702 1 112 THR H 1 112 THR MG 4.500 . 5.500 3.826 3.775 3.867 . 0 0 "[ . 1 . 2 ]" 1 1703 1 112 THR HA 1 112 THR MG 2.500 . 3.500 2.221 2.132 2.304 . 0 0 "[ . 1 . 2 ]" 1 1704 1 113 LEU H 1 113 LEU QB 3.500 . 4.500 2.518 2.301 2.675 . 0 0 "[ . 1 . 2 ]" 1 1705 1 113 LEU HA 1 113 LEU MD1 4.500 . 5.500 3.794 3.759 3.823 . 0 0 "[ . 1 . 2 ]" 1 1706 1 113 LEU HA 1 113 LEU MD2 3.500 . 3.500 2.059 1.966 2.190 . 0 0 "[ . 1 . 2 ]" 1 1707 1 113 LEU H 1 113 LEU MD1 4.500 . 5.500 3.886 3.402 4.166 . 0 0 "[ . 1 . 2 ]" 1 1708 1 113 LEU H 1 113 LEU MD2 4.500 . 5.500 4.195 3.984 4.331 . 0 0 "[ . 1 . 2 ]" 1 1709 1 113 LEU H 1 113 LEU HG 3.500 . 3.500 3.218 2.714 3.499 . 0 0 "[ . 1 . 2 ]" 1 1710 1 114 LEU H 1 114 LEU HB2 3.500 . 3.500 2.440 2.403 2.495 . 0 0 "[ . 1 . 2 ]" 1 1711 1 114 LEU H 1 114 LEU HG 3.500 . 4.000 2.642 2.481 2.805 . 0 0 "[ . 1 . 2 ]" 1 1712 1 114 LEU HA 1 114 LEU HG 3.500 . 3.500 2.742 2.682 2.812 . 0 0 "[ . 1 . 2 ]" 1 1713 1 114 LEU HA 1 114 LEU MD2 3.500 . 4.500 2.154 2.047 2.273 . 0 0 "[ . 1 . 2 ]" 1 1714 1 114 LEU H 1 114 LEU MD1 4.500 . 5.500 3.485 3.396 3.574 . 0 0 "[ . 1 . 2 ]" 1 1715 1 114 LEU H 1 114 LEU MD2 4.500 . 5.500 3.898 3.760 4.037 . 0 0 "[ . 1 . 2 ]" 1 1716 1 116 THR H 1 116 THR HB 3.500 . 3.500 2.654 2.614 2.698 . 0 0 "[ . 1 . 2 ]" 1 1717 1 116 THR H 1 116 THR MG 4.500 . 5.500 3.864 3.848 3.888 . 0 0 "[ . 1 . 2 ]" 1 1718 1 116 THR HA 1 116 THR MG 2.500 . 3.500 2.307 2.189 2.380 . 0 0 "[ . 1 . 2 ]" 1 1719 1 116 THR HG1 1 116 THR MG 2.500 . 3.500 2.488 2.011 2.968 . 0 0 "[ . 1 . 2 ]" 1 1720 1 118 LEU H 1 118 LEU HB2 3.500 . 3.500 2.390 2.297 2.517 . 0 0 "[ . 1 . 2 ]" 1 1721 1 118 LEU HA 1 118 LEU MD1 3.500 . 4.500 2.416 2.299 2.523 . 0 0 "[ . 1 . 2 ]" 1 1722 1 118 LEU HA 1 118 LEU MD2 4.500 . 5.500 3.657 3.625 3.680 . 0 0 "[ . 1 . 2 ]" 1 1723 1 118 LEU H 1 118 LEU MD1 3.500 . 4.500 3.002 2.688 3.227 . 0 0 "[ . 1 . 2 ]" 1 1724 1 118 LEU H 1 118 LEU MD2 5.500 . 5.500 4.403 4.264 4.556 . 0 0 "[ . 1 . 2 ]" 1 1725 1 121 SER H 1 121 SER QB 3.500 . 4.500 2.630 2.257 2.891 . 0 0 "[ . 1 . 2 ]" 1 1726 1 122 PHE H 1 122 PHE HB2 3.500 . 3.500 2.830 2.794 2.854 . 0 0 "[ . 1 . 2 ]" 1 1727 1 123 GLU H 1 123 GLU QB 3.500 . 4.500 2.405 2.281 2.836 . 0 0 "[ . 1 . 2 ]" 1 1728 1 123 GLU H 1 123 GLU QG 4.500 . 5.500 3.111 1.765 4.119 . 0 0 "[ . 1 . 2 ]" 1 1729 1 126 THR H 1 126 THR HB 3.500 . 3.500 2.742 2.637 3.031 . 0 0 "[ . 1 . 2 ]" 1 1730 1 126 THR HA 1 126 THR MG 2.500 . 3.500 2.269 2.142 2.337 . 0 0 "[ . 1 . 2 ]" 1 1731 1 126 THR H 1 126 THR MG 4.500 . 5.500 3.830 3.781 4.013 . 0 0 "[ . 1 . 2 ]" 1 1732 1 127 LYS H 1 127 LYS HB2 3.500 . 3.500 2.544 2.401 2.648 . 0 0 "[ . 1 . 2 ]" 1 1733 1 128 MET H 1 128 MET HB3 3.500 . 3.500 2.760 2.587 2.930 . 0 0 "[ . 1 . 2 ]" 1 1734 1 128 MET H 1 128 MET HB2 3.500 . 3.500 2.545 2.278 2.723 . 0 0 "[ . 1 . 2 ]" 1 1735 1 128 MET HA 1 128 MET ME 4.500 . 5.500 3.404 3.222 3.731 . 0 0 "[ . 1 . 2 ]" 1 1736 1 129 ILE H 1 129 ILE QG 2.500 . 3.500 1.903 1.861 1.957 . 0 0 "[ . 1 . 2 ]" 1 1737 1 129 ILE H 1 129 ILE MG 3.500 . 4.500 2.323 2.198 2.413 . 0 0 "[ . 1 . 2 ]" 1 1738 1 129 ILE HA 1 129 ILE MG 3.500 . 4.500 2.247 2.209 2.377 . 0 0 "[ . 1 . 2 ]" 1 1739 1 131 LEU H 1 131 LEU HB2 2.500 . 2.500 2.436 2.328 2.489 . 0 0 "[ . 1 . 2 ]" 1 1740 1 131 LEU H 1 131 LEU HG 3.500 . 3.500 2.493 2.224 2.745 . 0 0 "[ . 1 . 2 ]" 1 1741 1 131 LEU H 1 131 LEU MD1 4.500 . 5.500 3.496 3.348 3.693 . 0 0 "[ . 1 . 2 ]" 1 1742 1 131 LEU HA 1 131 LEU MD2 4.500 . 5.500 2.036 1.962 2.152 . 0 0 "[ . 1 . 2 ]" 1 1743 1 132 ASN H 1 132 ASN HB3 3.500 . 3.500 2.741 2.617 2.797 . 0 0 "[ . 1 . 2 ]" 1 1744 1 132 ASN H 1 132 ASN HB2 3.500 . 3.500 2.469 2.412 2.601 . 0 0 "[ . 1 . 2 ]" 1 1745 1 133 TRP H 1 133 TRP HB2 3.500 . 3.500 2.485 2.455 2.525 . 0 0 "[ . 1 . 2 ]" 1 1746 1 133 TRP H 1 133 TRP HD1 2.500 . 2.500 2.384 2.106 2.504 0.004 15 0 "[ . 1 . 2 ]" 1 1747 1 133 TRP HA 1 133 TRP HD1 4.500 . 4.500 4.195 4.080 4.263 . 0 0 "[ . 1 . 2 ]" 1 1748 1 133 TRP HA 1 133 TRP HE3 4.500 . 4.500 2.982 2.864 3.267 . 0 0 "[ . 1 . 2 ]" 1 1749 1 133 TRP H 1 133 TRP HE3 5.500 . 5.500 5.142 5.095 5.250 . 0 0 "[ . 1 . 2 ]" 1 1750 1 133 TRP HB2 1 133 TRP HD1 3.500 . 3.500 2.609 2.587 2.672 . 0 0 "[ . 1 . 2 ]" 1 1751 1 134 ASP H 1 134 ASP HB3 3.500 . 3.500 2.984 2.663 3.506 0.006 2 0 "[ . 1 . 2 ]" 1 1752 1 134 ASP H 1 134 ASP HB2 2.500 . 2.500 2.324 2.170 2.483 . 0 0 "[ . 1 . 2 ]" 1 1753 1 136 PHE H 1 136 PHE HB2 3.500 . 3.500 2.675 2.378 2.850 . 0 0 "[ . 1 . 2 ]" 1 1754 1 137 THR H 1 137 THR MG 4.500 . 5.500 4.010 3.973 4.042 . 0 0 "[ . 1 . 2 ]" 1 1755 1 137 THR HA 1 137 THR MG 3.500 . 4.500 2.250 2.140 2.310 . 0 0 "[ . 1 . 2 ]" 1 1756 1 137 THR H 1 137 THR HB 3.500 . 3.500 3.009 2.920 3.104 . 0 0 "[ . 1 . 2 ]" 1 1757 1 138 LYS H 1 138 LYS HB3 3.500 . 3.500 2.729 2.673 2.805 . 0 0 "[ . 1 . 2 ]" 1 1758 1 138 LYS H 1 138 LYS HB2 3.500 . 3.500 2.432 2.347 2.539 . 0 0 "[ . 1 . 2 ]" 1 1759 1 138 LYS H 1 138 LYS HG3 5.500 . 5.500 4.378 4.307 4.467 . 0 0 "[ . 1 . 2 ]" 1 1760 1 138 LYS H 1 138 LYS HG2 5.500 . 5.500 4.543 4.482 4.607 . 0 0 "[ . 1 . 2 ]" 1 1761 1 141 SER H 1 141 SER HB3 3.500 . 3.500 3.197 2.934 3.457 . 0 0 "[ . 1 . 2 ]" 1 1762 1 142 ARG H 1 142 ARG QB 3.500 . 4.500 2.398 2.301 2.702 . 0 0 "[ . 1 . 2 ]" 1 1763 1 142 ARG H 1 142 ARG QG 4.500 . 5.500 4.088 3.997 4.167 . 0 0 "[ . 1 . 2 ]" 1 1764 1 143 THR H 1 143 THR HB 3.500 . 3.500 2.697 2.651 2.737 . 0 0 "[ . 1 . 2 ]" 1 1765 1 143 THR HA 1 143 THR MG 2.500 . 3.500 2.242 2.155 2.314 . 0 0 "[ . 1 . 2 ]" 1 1766 1 143 THR H 1 143 THR MG 4.500 . 5.500 3.802 3.777 3.825 . 0 0 "[ . 1 . 2 ]" 1 1767 1 144 VAL H 1 144 VAL HB 3.500 . 3.500 3.374 3.323 3.429 . 0 0 "[ . 1 . 2 ]" 1 1768 1 144 VAL HA 1 144 VAL MG2 2.500 . 3.500 2.330 2.301 2.368 . 0 0 "[ . 1 . 2 ]" 1 1769 1 145 GLU H 1 145 GLU QB 2.500 . 3.500 2.510 2.344 3.065 . 0 0 "[ . 1 . 2 ]" 1 1770 1 145 GLU H 1 145 GLU QG 3.500 . 4.500 3.154 1.761 4.081 . 0 0 "[ . 1 . 2 ]" 1 1771 1 146 ASP H 1 146 ASP HB3 3.500 . 3.500 2.811 2.779 2.942 . 0 0 "[ . 1 . 2 ]" 1 1772 1 146 ASP H 1 146 ASP HB2 3.500 . 3.500 2.397 2.304 2.458 . 0 0 "[ . 1 . 2 ]" 1 1773 1 147 THR H 1 147 THR HB 3.500 . 4.500 3.589 3.553 3.614 . 0 0 "[ . 1 . 2 ]" 1 1774 1 147 THR H 1 147 THR MG 3.500 . 4.500 2.468 2.185 2.648 . 0 0 "[ . 1 . 2 ]" 1 1775 1 147 THR HA 1 147 THR MG 3.500 . 4.500 2.236 2.135 2.376 . 0 0 "[ . 1 . 2 ]" 1 1776 1 148 ASN H 1 148 ASN HB3 3.500 . 3.500 2.759 2.597 3.004 . 0 0 "[ . 1 . 2 ]" 1 1777 1 148 ASN H 1 148 ASN HB2 3.500 . 3.500 2.631 2.305 2.784 . 0 0 "[ . 1 . 2 ]" 1 1778 1 148 ASN HB2 1 148 ASN QD 2.500 . 3.500 2.451 2.223 3.054 . 0 0 "[ . 1 . 2 ]" 1 1779 1 151 LEU H 1 151 LEU HB2 3.500 . 3.500 2.300 2.226 2.358 . 0 0 "[ . 1 . 2 ]" 1 1780 1 151 LEU H 1 151 LEU HG 3.500 . 3.500 2.731 2.623 2.845 . 0 0 "[ . 1 . 2 ]" 1 1781 1 151 LEU H 1 151 LEU MD1 4.500 . 5.500 3.580 3.418 3.674 . 0 0 "[ . 1 . 2 ]" 1 1782 1 151 LEU H 1 151 LEU MD2 4.500 . 5.500 3.880 3.738 4.054 . 0 0 "[ . 1 . 2 ]" 1 1783 1 151 LEU HA 1 151 LEU MD2 2.500 . 3.500 2.003 1.943 2.169 . 0 0 "[ . 1 . 2 ]" 1 1784 1 152 THR H 1 152 THR MG 4.500 . 5.500 3.685 2.345 3.813 . 0 0 "[ . 1 . 2 ]" 1 1785 1 152 THR HA 1 152 THR MG 3.500 . 4.500 2.267 2.146 2.385 . 0 0 "[ . 1 . 2 ]" 1 1786 1 153 HIS HA 1 153 HIS HB3 2.500 . 3.000 2.430 2.428 2.431 . 0 0 "[ . 1 . 2 ]" 1 1787 1 153 HIS HA 1 153 HIS HB2 2.500 . 3.000 2.511 2.509 2.513 . 0 0 "[ . 1 . 2 ]" 1 1788 1 154 THR H 1 154 THR HB 3.500 . 3.500 2.873 2.828 2.899 . 0 0 "[ . 1 . 2 ]" 1 1789 1 154 THR HA 1 154 THR MG 2.500 . 3.500 2.273 2.165 2.350 . 0 0 "[ . 1 . 2 ]" 1 1790 1 155 TYR H 1 155 TYR HB2 3.500 . 3.500 2.439 2.368 2.485 . 0 0 "[ . 1 . 2 ]" 1 1791 1 156 GLU H 1 156 GLU QG 4.500 . 5.500 2.587 2.136 3.506 . 0 0 "[ . 1 . 2 ]" 1 1792 1 157 VAL H 1 157 VAL HB 3.500 . 3.500 2.720 2.631 2.834 . 0 0 "[ . 1 . 2 ]" 1 1793 1 158 TRP H 1 158 TRP HD1 3.500 . 3.500 2.233 2.064 2.392 . 0 0 "[ . 1 . 2 ]" 1 1794 1 158 TRP H 1 158 TRP HB2 3.500 . 3.500 2.489 2.454 2.535 . 0 0 "[ . 1 . 2 ]" 1 1795 1 158 TRP HB2 1 158 TRP HD1 3.500 . 3.500 2.880 2.838 2.902 . 0 0 "[ . 1 . 2 ]" 1 1796 1 159 GLN H 1 159 GLN HB2 3.500 . 3.500 2.739 2.682 2.807 . 0 0 "[ . 1 . 2 ]" 1 1797 1 160 LYS H 1 160 LYS QB 3.500 . 4.500 2.259 2.232 2.299 . 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 32 _Distance_constraint_stats_list.Viol_count 39 _Distance_constraint_stats_list.Viol_total 1.612 _Distance_constraint_stats_list.Viol_max 0.006 _Distance_constraint_stats_list.Viol_rms 0.0005 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0001 _Distance_constraint_stats_list.Viol_average_violations_only 0.0019 _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 1 THR 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 3 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 5 TRP 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 13 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 24 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 27 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 28 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 39 MET 0.003 0.002 12 0 "[ . 1 . 2 ]" 1 40 VAL 0.015 0.006 2 0 "[ . 1 . 2 ]" 1 41 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 49 PHE 0.016 0.004 13 0 "[ . 1 . 2 ]" 1 54 LEU 0.013 0.004 13 0 "[ . 1 . 2 ]" 1 60 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 61 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 62 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 74 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 79 VAL 0.017 0.006 2 0 "[ . 1 . 2 ]" 1 82 VAL 0.025 0.004 13 0 "[ . 1 . 2 ]" 1 83 PHE 0.013 0.004 22 0 "[ . 1 . 2 ]" 1 85 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 94 LEU 0.037 0.004 22 0 "[ . 1 . 2 ]" 1 100 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 102 ILE 0.003 0.003 6 0 "[ . 1 . 2 ]" 1 103 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 105 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 106 PHE 0.042 0.006 2 0 "[ . 1 . 2 ]" 1 110 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 113 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 128 MET 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 129 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 131 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 133 TRP 0.002 0.002 5 0 "[ . 1 . 2 ]" 1 136 PHE 0.002 0.002 5 0 "[ . 1 . 2 ]" 1 139 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 146 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 151 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 153 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 158 TRP 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 5 TRP HH2 1 128 MET ME 5.500 . 5.500 4.777 4.481 4.936 . 0 0 "[ . 1 . 2 ]" 2 2 1 5 TRP HH2 1 131 LEU MD1 2.500 . 3.000 2.773 2.299 2.838 . 0 0 "[ . 1 . 2 ]" 2 3 1 13 ILE QG 1 103 PHE QD 4.500 . 4.500 4.345 3.994 4.466 . 0 0 "[ . 1 . 2 ]" 2 4 1 24 PRO QB 1 28 HIS HD2 4.500 . 4.500 3.337 3.157 3.541 . 0 0 "[ . 1 . 2 ]" 2 5 1 40 VAL HA 1 40 VAL HB 2.500 . 2.500 2.123 2.014 2.288 . 0 0 "[ . 1 . 2 ]" 2 6 1 40 VAL HB 1 106 PHE QD 5.500 . 5.500 5.062 4.876 5.336 . 0 0 "[ . 1 . 2 ]" 2 7 1 40 VAL HB 1 106 PHE QE 4.500 . 4.500 4.465 4.319 4.506 0.006 2 0 "[ . 1 . 2 ]" 2 8 1 42 GLY QA 1 62 LEU H 2.500 . 2.500 2.091 1.963 2.143 . 0 0 "[ . 1 . 2 ]" 2 9 1 39 MET ME 1 49 PHE QE 2.500 . 2.500 2.468 2.373 2.502 0.002 12 0 "[ . 1 . 2 ]" 2 10 1 41 VAL MG1 1 49 PHE QE 2.500 . 3.000 2.013 1.827 2.366 . 0 0 "[ . 1 . 2 ]" 2 11 1 41 VAL MG2 1 49 PHE QE 2.500 . 3.000 2.017 1.951 2.393 . 0 0 "[ . 1 . 2 ]" 2 12 1 49 PHE QE 1 54 LEU HG 4.500 . 4.500 4.443 4.304 4.504 0.004 13 0 "[ . 1 . 2 ]" 2 13 1 49 PHE QD 1 54 LEU QB 4.500 . 4.500 3.925 3.695 4.196 . 0 0 "[ . 1 . 2 ]" 2 14 1 60 VAL MG1 1 85 TYR QD 5.500 . 5.500 3.874 3.377 4.085 . 0 0 "[ . 1 . 2 ]" 2 15 1 60 VAL MG1 1 85 TYR QE 3.500 . 3.500 3.271 2.603 3.491 . 0 0 "[ . 1 . 2 ]" 2 16 1 62 LEU MD1 1 106 PHE QE 3.500 . 3.500 3.372 3.265 3.478 . 0 0 "[ . 1 . 2 ]" 2 17 1 62 LEU MD1 1 106 PHE HZ 5.500 . 5.500 3.266 2.842 3.564 . 0 0 "[ . 1 . 2 ]" 2 18 1 79 VAL MG1 1 106 PHE QD 3.500 . 3.500 2.432 2.141 2.753 . 0 0 "[ . 1 . 2 ]" 2 19 1 79 VAL MG1 1 106 PHE QE 2.500 . 2.500 2.191 2.004 2.503 0.003 6 0 "[ . 1 . 2 ]" 2 20 1 79 VAL MG1 1 106 PHE HZ 3.500 . 3.500 3.021 2.784 3.269 . 0 0 "[ . 1 . 2 ]" 2 21 1 82 VAL MG1 1 106 PHE QD 5.500 . 5.500 3.198 2.739 3.493 . 0 0 "[ . 1 . 2 ]" 2 22 1 82 VAL MG1 1 106 PHE QE 3.500 . 3.500 2.691 2.122 2.927 . 0 0 "[ . 1 . 2 ]" 2 23 1 82 VAL MG1 1 106 PHE HZ 2.500 . 2.500 2.468 2.141 2.504 0.004 13 0 "[ . 1 . 2 ]" 2 24 1 83 PHE QR 1 94 LEU QD 2.500 . 2.500 2.496 2.477 2.504 0.004 22 0 "[ . 1 . 2 ]" 2 25 1 1 THR MG 1 83 PHE QR 5.500 . 5.500 3.794 3.210 4.376 . 0 0 "[ . 1 . 2 ]" 2 26 1 100 ALA HA 1 103 PHE QD 2.500 . 2.500 1.811 1.801 1.819 . 0 0 "[ . 1 . 2 ]" 2 27 1 42 GLY QA 1 102 ILE MD 3.500 . 3.500 1.939 1.794 2.091 . 0 0 "[ . 1 . 2 ]" 2 28 1 62 LEU MD2 1 105 ALA MB 3.500 . 3.500 2.522 2.291 2.728 . 0 0 "[ . 1 . 2 ]" 2 29 1 113 LEU HG 1 158 TRP HA 3.500 . 3.500 3.037 2.717 3.343 . 0 0 "[ . 1 . 2 ]" 2 30 1 3 PHE QD 1 110 VAL QG 4.500 . 4.500 2.124 2.065 2.179 . 0 0 "[ . 1 . 2 ]" 2 31 1 133 TRP HA 1 136 PHE QD 2.500 . 2.500 2.306 2.044 2.502 0.002 5 0 "[ . 1 . 2 ]" 2 32 1 146 ASP QB 1 153 HIS HE1 5.500 . 5.500 3.215 2.988 3.393 . 0 0 "[ . 1 . 2 ]" 2 stop_ save_ save_distance_constraint_statistics_3 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 3 _Distance_constraint_stats_list.Constraint_count 134 _Distance_constraint_stats_list.Viol_count 282 _Distance_constraint_stats_list.Viol_total 24.687 _Distance_constraint_stats_list.Viol_max 0.020 _Distance_constraint_stats_list.Viol_rms 0.0015 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0004 _Distance_constraint_stats_list.Viol_average_violations_only 0.0040 _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 1 THR 0.014 0.005 22 0 "[ . 1 . 2 ]" 1 2 ALA 0.000 0.000 7 0 "[ . 1 . 2 ]" 1 3 PHE 0.009 0.003 19 0 "[ . 1 . 2 ]" 1 4 LEU 0.035 0.009 18 0 "[ . 1 . 2 ]" 1 5 TRP 0.163 0.013 16 0 "[ . 1 . 2 ]" 1 7 GLN 0.114 0.007 14 0 "[ . 1 . 2 ]" 1 8 ASP 0.249 0.020 15 0 "[ . 1 . 2 ]" 1 9 ARG 0.008 0.003 19 0 "[ . 1 . 2 ]" 1 11 GLY 0.054 0.004 13 0 "[ . 1 . 2 ]" 1 12 LEU 0.249 0.020 15 0 "[ . 1 . 2 ]" 1 13 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 23 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 25 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 27 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 29 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 30 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 33 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 34 THR 0.003 0.002 8 0 "[ . 1 . 2 ]" 1 37 LYS 0.003 0.002 8 0 "[ . 1 . 2 ]" 1 38 ILE 0.007 0.004 12 0 "[ . 1 . 2 ]" 1 39 MET 0.006 0.004 13 0 "[ . 1 . 2 ]" 1 40 VAL 0.022 0.005 3 0 "[ . 1 . 2 ]" 1 41 VAL 0.006 0.004 7 0 "[ . 1 . 2 ]" 1 42 GLY 0.017 0.004 17 0 "[ . 1 . 2 ]" 1 43 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 46 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 47 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 58 THR 0.006 0.004 13 0 "[ . 1 . 2 ]" 1 59 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 60 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 61 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 62 LEU 0.006 0.004 7 0 "[ . 1 . 2 ]" 1 63 THR 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 74 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 76 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 78 ASP 0.000 0.000 2 0 "[ . 1 . 2 ]" 1 79 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 80 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 81 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 82 VAL 0.008 0.004 8 0 "[ . 1 . 2 ]" 1 83 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 84 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 85 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 86 ALA 0.008 0.004 8 0 "[ . 1 . 2 ]" 1 87 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 89 HIS 0.003 0.002 12 0 "[ . 1 . 2 ]" 1 92 GLN 0.003 0.002 12 0 "[ . 1 . 2 ]" 1 93 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 95 VAL 0.008 0.004 12 0 "[ . 1 . 2 ]" 1 96 ILE 0.035 0.009 18 0 "[ . 1 . 2 ]" 1 97 ALA 0.021 0.005 3 0 "[ . 1 . 2 ]" 1 98 GLY 0.017 0.004 17 0 "[ . 1 . 2 ]" 1 99 GLY 0.004 0.002 20 0 "[ . 1 . 2 ]" 1 100 ALA 0.003 0.002 10 0 "[ . 1 . 2 ]" 1 101 GLN 0.037 0.005 17 0 "[ . 1 . 2 ]" 1 102 ILE 0.004 0.002 20 0 "[ . 1 . 2 ]" 1 103 PHE 0.105 0.008 7 0 "[ . 1 . 2 ]" 1 104 THR 0.003 0.002 10 0 "[ . 1 . 2 ]" 1 105 ALA 0.037 0.005 17 0 "[ . 1 . 2 ]" 1 106 PHE 0.002 0.002 5 0 "[ . 1 . 2 ]" 1 107 LYS 0.132 0.008 7 0 "[ . 1 . 2 ]" 1 109 ASP 0.002 0.002 5 0 "[ . 1 . 2 ]" 1 110 VAL 0.027 0.005 15 0 "[ . 1 . 2 ]" 1 112 THR 0.023 0.005 22 0 "[ . 1 . 2 ]" 1 113 LEU 0.021 0.004 5 0 "[ . 1 . 2 ]" 1 114 LEU 0.073 0.013 16 0 "[ . 1 . 2 ]" 1 115 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 116 THR 0.204 0.010 19 0 "[ . 1 . 2 ]" 1 117 ARG 0.097 0.009 2 0 "[ . 1 . 2 ]" 1 118 LEU 0.008 0.003 19 0 "[ . 1 . 2 ]" 1 119 ALA 0.008 0.003 2 0 "[ . 1 . 2 ]" 1 120 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 126 THR 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 128 MET 0.054 0.004 13 0 "[ . 1 . 2 ]" 1 131 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 132 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 133 TRP 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 135 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 137 THR 0.026 0.004 10 0 "[ . 1 . 2 ]" 1 139 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 140 SER 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 142 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 144 VAL 0.040 0.006 13 0 "[ . 1 . 2 ]" 1 148 ASN 0.020 0.010 13 0 "[ . 1 . 2 ]" 1 149 PRO 0.014 0.006 13 0 "[ . 1 . 2 ]" 1 150 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 151 LEU 0.020 0.010 13 0 "[ . 1 . 2 ]" 1 152 THR 0.021 0.006 13 0 "[ . 1 . 2 ]" 1 153 HIS 0.040 0.006 13 0 "[ . 1 . 2 ]" 1 154 THR 0.097 0.009 2 0 "[ . 1 . 2 ]" 1 155 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 156 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 157 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 158 TRP 0.021 0.004 5 0 "[ . 1 . 2 ]" 1 159 GLN 0.026 0.004 10 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 3 PHE H 1 112 THR O 2.300 . 2.500 2.330 1.826 2.503 0.003 19 0 "[ . 1 . 2 ]" 3 2 1 3 PHE N 1 112 THR O 3.300 2.600 3.500 3.203 2.772 3.462 . 0 0 "[ . 1 . 2 ]" 3 3 1 4 LEU H 1 96 ILE O 2.300 . 2.500 2.489 2.365 2.509 0.009 18 0 "[ . 1 . 2 ]" 3 4 1 4 LEU N 1 96 ILE O 3.300 2.600 3.500 3.223 3.082 3.351 . 0 0 "[ . 1 . 2 ]" 3 5 1 5 TRP H 1 114 LEU O 2.300 . 2.500 2.487 2.408 2.513 0.013 16 0 "[ . 1 . 2 ]" 3 6 1 5 TRP N 1 114 LEU O 3.300 2.600 3.500 3.387 3.318 3.423 . 0 0 "[ . 1 . 2 ]" 3 7 1 7 GLN H 1 116 THR O 2.300 . 2.500 2.505 2.502 2.507 0.007 14 0 "[ . 1 . 2 ]" 3 8 1 7 GLN N 1 116 THR O 3.300 2.600 3.500 3.307 3.230 3.366 . 0 0 "[ . 1 . 2 ]" 3 9 1 38 ILE H 1 93 GLU O 2.300 . 2.500 2.058 1.766 2.458 . 0 0 "[ . 1 . 2 ]" 3 10 1 38 ILE N 1 93 GLU O 3.300 2.600 3.500 2.995 2.711 3.359 . 0 0 "[ . 1 . 2 ]" 3 11 1 39 MET H 1 58 THR O 2.300 . 2.500 2.300 1.999 2.504 0.004 13 0 "[ . 1 . 2 ]" 3 12 1 39 MET N 1 58 THR O 3.300 2.600 3.500 3.003 2.762 3.370 . 0 0 "[ . 1 . 2 ]" 3 13 1 40 VAL H 1 95 VAL O 2.300 . 2.500 2.370 2.139 2.501 0.001 15 0 "[ . 1 . 2 ]" 3 14 1 40 VAL N 1 95 VAL O 3.300 2.600 3.500 3.260 3.066 3.395 . 0 0 "[ . 1 . 2 ]" 3 15 1 41 VAL H 1 60 VAL O 2.300 . 2.500 2.171 1.929 2.404 . 0 0 "[ . 1 . 2 ]" 3 16 1 41 VAL N 1 60 VAL O 3.300 2.600 3.500 3.119 2.908 3.285 . 0 0 "[ . 1 . 2 ]" 3 17 1 42 GLY H 1 98 GLY O 2.300 . 2.500 2.479 2.307 2.504 0.004 17 0 "[ . 1 . 2 ]" 3 18 1 42 GLY N 1 98 GLY O 3.300 2.600 3.500 3.020 2.815 3.201 . 0 0 "[ . 1 . 2 ]" 3 19 1 39 MET O 1 60 VAL H 2.300 . 2.500 2.102 1.835 2.269 . 0 0 "[ . 1 . 2 ]" 3 20 1 39 MET O 1 60 VAL N 3.300 2.600 3.500 3.018 2.712 3.207 . 0 0 "[ . 1 . 2 ]" 3 21 1 61 VAL H 1 74 VAL O 2.300 . 2.500 2.427 2.222 2.499 . 0 0 "[ . 1 . 2 ]" 3 22 1 61 VAL N 1 74 VAL O 3.300 2.600 3.500 3.282 3.004 3.426 . 0 0 "[ . 1 . 2 ]" 3 23 1 41 VAL O 1 62 LEU H 2.300 . 2.500 2.329 2.059 2.504 0.004 7 0 "[ . 1 . 2 ]" 3 24 1 41 VAL O 1 62 LEU N 3.300 2.600 3.500 3.239 2.882 3.453 . 0 0 "[ . 1 . 2 ]" 3 25 1 63 THR H 1 76 VAL O 2.300 . 2.500 2.476 2.462 2.489 . 0 0 "[ . 1 . 2 ]" 3 26 1 63 THR N 1 76 VAL O 3.300 2.600 3.500 3.432 3.376 3.461 . 0 0 "[ . 1 . 2 ]" 3 27 1 59 ASN O 1 74 VAL H 2.300 . 2.500 2.167 1.869 2.491 . 0 0 "[ . 1 . 2 ]" 3 28 1 59 ASN O 1 74 VAL N 3.300 2.600 3.500 2.926 2.672 3.246 . 0 0 "[ . 1 . 2 ]" 3 29 1 61 VAL O 1 76 VAL H 2.300 . 2.500 2.275 2.129 2.449 . 0 0 "[ . 1 . 2 ]" 3 30 1 61 VAL O 1 76 VAL N 3.300 2.600 3.500 3.049 2.911 3.388 . 0 0 "[ . 1 . 2 ]" 3 31 1 38 ILE O 1 95 VAL H 2.300 . 2.500 2.477 2.405 2.504 0.004 12 0 "[ . 1 . 2 ]" 3 32 1 38 ILE O 1 95 VAL N 3.300 2.600 3.500 3.357 3.223 3.459 . 0 0 "[ . 1 . 2 ]" 3 33 1 2 ALA O 1 96 ILE H 2.300 . 2.500 2.061 1.701 2.500 0.000 7 0 "[ . 1 . 2 ]" 3 34 1 2 ALA O 1 96 ILE N 3.300 2.600 3.500 2.986 2.667 3.341 . 0 0 "[ . 1 . 2 ]" 3 35 1 40 VAL O 1 97 ALA H 2.300 . 2.500 2.443 2.328 2.505 0.005 3 0 "[ . 1 . 2 ]" 3 36 1 40 VAL O 1 97 ALA N 3.300 2.600 3.500 3.405 3.291 3.482 . 0 0 "[ . 1 . 2 ]" 3 37 1 1 THR O 1 112 THR H 2.300 . 2.500 2.483 2.414 2.505 0.005 22 0 "[ . 1 . 2 ]" 3 38 1 1 THR O 1 112 THR N 3.300 2.600 3.500 3.452 3.387 3.479 . 0 0 "[ . 1 . 2 ]" 3 39 1 113 LEU H 1 158 TRP O 2.300 . 2.500 2.460 2.236 2.504 0.004 13 0 "[ . 1 . 2 ]" 3 40 1 113 LEU N 1 158 TRP O 3.300 2.600 3.500 3.353 3.193 3.444 . 0 0 "[ . 1 . 2 ]" 3 41 1 3 PHE O 1 114 LEU H 2.300 . 2.500 2.114 1.810 2.386 . 0 0 "[ . 1 . 2 ]" 3 42 1 3 PHE O 1 114 LEU N 3.300 2.600 3.500 3.024 2.732 3.276 . 0 0 "[ . 1 . 2 ]" 3 43 1 115 VAL H 1 156 GLU O 2.300 . 2.500 2.471 2.445 2.498 . 0 0 "[ . 1 . 2 ]" 3 44 1 115 VAL N 1 156 GLU O 3.300 2.600 3.500 3.368 3.312 3.408 . 0 0 "[ . 1 . 2 ]" 3 45 1 5 TRP O 1 116 THR H 2.300 . 2.500 2.501 2.450 2.510 0.010 19 0 "[ . 1 . 2 ]" 3 46 1 5 TRP O 1 116 THR N 3.300 2.600 3.500 3.435 3.370 3.482 . 0 0 "[ . 1 . 2 ]" 3 47 1 117 ARG H 1 154 THR O 2.300 . 2.500 2.504 2.499 2.509 0.009 2 0 "[ . 1 . 2 ]" 3 48 1 117 ARG N 1 154 THR O 3.300 2.600 3.500 3.395 3.362 3.429 . 0 0 "[ . 1 . 2 ]" 3 49 1 119 ALA H 1 152 THR O 2.300 . 2.500 1.680 1.627 2.019 . 0 0 "[ . 1 . 2 ]" 3 50 1 119 ALA N 1 152 THR O 3.300 2.600 3.500 2.648 2.597 2.965 0.003 2 0 "[ . 1 . 2 ]" 3 51 1 137 THR H 1 159 GLN O 2.300 . 2.500 2.476 2.334 2.504 0.004 10 0 "[ . 1 . 2 ]" 3 52 1 137 THR N 1 159 GLN O 3.300 2.600 3.500 3.275 3.131 3.420 . 0 0 "[ . 1 . 2 ]" 3 53 1 139 VAL H 1 157 VAL O 2.300 . 2.500 2.417 2.189 2.492 . 0 0 "[ . 1 . 2 ]" 3 54 1 139 VAL N 1 157 VAL O 3.300 2.600 3.500 3.304 3.115 3.432 . 0 0 "[ . 1 . 2 ]" 3 55 1 142 ARG H 1 155 TYR O 2.300 . 2.500 2.262 2.068 2.463 . 0 0 "[ . 1 . 2 ]" 3 56 1 142 ARG N 1 155 TYR O 3.300 2.600 3.500 3.175 2.991 3.394 . 0 0 "[ . 1 . 2 ]" 3 57 1 144 VAL H 1 153 HIS O 2.300 . 2.500 2.461 2.354 2.504 0.004 18 0 "[ . 1 . 2 ]" 3 58 1 144 VAL N 1 153 HIS O 3.300 2.600 3.500 3.350 3.278 3.432 . 0 0 "[ . 1 . 2 ]" 3 59 1 144 VAL O 1 153 HIS H 2.300 . 2.500 2.500 2.492 2.506 0.006 13 0 "[ . 1 . 2 ]" 3 60 1 144 VAL O 1 153 HIS N 3.300 2.600 3.500 3.471 3.458 3.485 . 0 0 "[ . 1 . 2 ]" 3 61 1 117 ARG O 1 154 THR H 2.300 . 2.500 2.285 2.186 2.373 . 0 0 "[ . 1 . 2 ]" 3 62 1 117 ARG O 1 154 THR N 3.300 2.600 3.500 3.129 3.058 3.209 . 0 0 "[ . 1 . 2 ]" 3 63 1 142 ARG O 1 155 TYR H 2.300 . 2.500 2.002 1.826 2.201 . 0 0 "[ . 1 . 2 ]" 3 64 1 142 ARG O 1 155 TYR N 3.300 2.600 3.500 2.968 2.789 3.137 . 0 0 "[ . 1 . 2 ]" 3 65 1 115 VAL O 1 156 GLU H 2.300 . 2.500 2.275 2.191 2.416 . 0 0 "[ . 1 . 2 ]" 3 66 1 115 VAL O 1 156 GLU N 3.300 2.600 3.500 3.140 3.022 3.244 . 0 0 "[ . 1 . 2 ]" 3 67 1 140 SER O 1 157 VAL H 2.300 . 2.500 2.355 2.124 2.494 . 0 0 "[ . 1 . 2 ]" 3 68 1 140 SER O 1 157 VAL N 3.300 2.600 3.500 3.197 3.013 3.402 . 0 0 "[ . 1 . 2 ]" 3 69 1 113 LEU O 1 158 TRP H 2.300 . 2.500 2.398 2.195 2.504 0.004 5 0 "[ . 1 . 2 ]" 3 70 1 113 LEU O 1 158 TRP N 3.300 2.600 3.500 3.361 3.170 3.481 . 0 0 "[ . 1 . 2 ]" 3 71 1 137 THR O 1 159 GLN H 2.300 . 2.500 2.163 1.951 2.494 . 0 0 "[ . 1 . 2 ]" 3 72 1 137 THR O 1 159 GLN N 3.300 2.600 3.500 3.040 2.830 3.360 . 0 0 "[ . 1 . 2 ]" 3 73 1 23 LEU O 1 27 LEU H 2.300 . 2.500 2.213 1.939 2.385 . 0 0 "[ . 1 . 2 ]" 3 74 1 23 LEU O 1 27 LEU N 3.300 2.600 3.500 3.115 2.876 3.256 . 0 0 "[ . 1 . 2 ]" 3 75 1 25 ASP O 1 29 TYR H 2.300 . 2.500 2.255 2.183 2.415 . 0 0 "[ . 1 . 2 ]" 3 76 1 25 ASP O 1 29 TYR N 3.300 2.600 3.500 3.088 3.017 3.226 . 0 0 "[ . 1 . 2 ]" 3 77 1 29 TYR O 1 33 GLN H 2.300 . 2.500 2.154 2.028 2.490 . 0 0 "[ . 1 . 2 ]" 3 78 1 29 TYR O 1 33 GLN N 3.300 2.600 3.500 2.959 2.863 3.315 . 0 0 "[ . 1 . 2 ]" 3 79 1 42 GLY O 1 46 TYR H 2.300 . 2.500 2.365 2.142 2.499 . 0 0 "[ . 1 . 2 ]" 3 80 1 42 GLY O 1 46 TYR N 3.300 2.600 3.500 3.130 2.901 3.268 . 0 0 "[ . 1 . 2 ]" 3 81 1 43 ARG O 1 47 GLU H 2.300 . 2.500 2.449 2.313 2.500 . 0 0 "[ . 1 . 2 ]" 3 82 1 43 ARG O 1 47 GLU N 3.300 2.600 3.500 3.345 3.249 3.445 . 0 0 "[ . 1 . 2 ]" 3 83 1 78 ASP O 1 82 VAL H 2.300 . 2.500 2.475 2.459 2.500 0.000 2 0 "[ . 1 . 2 ]" 3 84 1 78 ASP O 1 82 VAL N 3.300 2.600 3.500 3.361 3.337 3.385 . 0 0 "[ . 1 . 2 ]" 3 85 1 79 VAL O 1 83 PHE H 2.300 . 2.500 2.329 2.122 2.494 . 0 0 "[ . 1 . 2 ]" 3 86 1 79 VAL O 1 83 PHE N 3.300 2.600 3.500 3.259 3.096 3.380 . 0 0 "[ . 1 . 2 ]" 3 87 1 80 ALA O 1 84 ALA H 2.300 . 2.500 2.067 1.880 2.227 . 0 0 "[ . 1 . 2 ]" 3 88 1 80 ALA O 1 84 ALA N 3.300 2.600 3.500 2.906 2.740 3.076 . 0 0 "[ . 1 . 2 ]" 3 89 1 81 ALA O 1 85 TYR H 2.300 . 2.500 2.342 2.232 2.463 . 0 0 "[ . 1 . 2 ]" 3 90 1 81 ALA O 1 85 TYR N 3.300 2.600 3.500 3.218 3.119 3.336 . 0 0 "[ . 1 . 2 ]" 3 91 1 82 VAL O 1 86 ALA H 2.300 . 2.500 2.479 2.353 2.504 0.004 8 0 "[ . 1 . 2 ]" 3 92 1 82 VAL O 1 86 ALA N 3.300 2.600 3.500 3.365 3.252 3.446 . 0 0 "[ . 1 . 2 ]" 3 93 1 83 PHE O 1 87 LYS H 2.300 . 2.500 2.252 2.000 2.407 . 0 0 "[ . 1 . 2 ]" 3 94 1 83 PHE O 1 87 LYS N 3.300 2.600 3.500 3.077 2.880 3.227 . 0 0 "[ . 1 . 2 ]" 3 95 1 99 GLY O 1 102 ILE H 2.300 . 2.500 2.485 2.394 2.502 0.002 20 0 "[ . 1 . 2 ]" 3 96 1 99 GLY O 1 102 ILE N 3.300 2.600 3.500 3.186 3.084 3.262 . 0 0 "[ . 1 . 2 ]" 3 97 1 100 ALA O 1 104 THR H 2.300 . 2.500 2.379 2.146 2.502 0.002 10 0 "[ . 1 . 2 ]" 3 98 1 100 ALA O 1 104 THR N 3.300 2.600 3.500 3.351 3.115 3.480 . 0 0 "[ . 1 . 2 ]" 3 99 1 101 GLN O 1 105 ALA H 2.300 . 2.500 2.474 2.274 2.505 0.005 17 0 "[ . 1 . 2 ]" 3 100 1 101 GLN O 1 105 ALA N 3.300 2.600 3.500 3.204 3.092 3.292 . 0 0 "[ . 1 . 2 ]" 3 101 1 102 ILE O 1 106 PHE H 2.300 . 2.500 2.330 2.174 2.487 . 0 0 "[ . 1 . 2 ]" 3 102 1 102 ILE O 1 106 PHE N 3.300 2.600 3.500 3.160 3.031 3.308 . 0 0 "[ . 1 . 2 ]" 3 103 1 103 PHE O 1 107 LYS H 2.300 . 2.500 2.505 2.499 2.508 0.008 7 0 "[ . 1 . 2 ]" 3 104 1 103 PHE O 1 107 LYS N 3.300 2.600 3.500 2.825 2.692 2.946 . 0 0 "[ . 1 . 2 ]" 3 105 1 8 ASP H 1 12 LEU O 2.300 . 2.800 2.363 1.920 2.540 . 0 0 "[ . 1 . 2 ]" 3 106 1 8 ASP N 1 12 LEU O 3.300 2.600 3.800 3.166 2.789 3.316 . 0 0 "[ . 1 . 2 ]" 3 107 1 9 ARG H 1 118 LEU O 2.300 . 2.800 2.797 2.788 2.803 0.003 19 0 "[ . 1 . 2 ]" 3 108 1 9 ARG N 1 118 LEU O 3.300 2.600 3.800 3.742 3.728 3.755 . 0 0 "[ . 1 . 2 ]" 3 109 1 8 ASP O 1 12 LEU H 2.300 . 2.800 2.811 2.805 2.820 0.020 15 0 "[ . 1 . 2 ]" 3 110 1 8 ASP O 1 12 LEU N 3.300 2.600 3.800 3.711 3.697 3.736 . 0 0 "[ . 1 . 2 ]" 3 111 1 13 ILE H 1 126 THR O 2.300 . 2.800 2.684 2.336 2.789 . 0 0 "[ . 1 . 2 ]" 3 112 1 13 ILE N 1 126 THR O 3.300 2.600 3.800 3.504 3.277 3.630 . 0 0 "[ . 1 . 2 ]" 3 113 1 34 THR O 1 37 LYS H 2.300 . 2.800 2.734 2.499 2.802 0.002 8 0 "[ . 1 . 2 ]" 3 114 1 34 THR O 1 37 LYS N 3.300 2.600 3.800 3.389 3.217 3.627 . 0 0 "[ . 1 . 2 ]" 3 115 1 89 HIS O 1 92 GLN H 2.300 . 2.800 2.788 2.707 2.802 0.002 12 0 "[ . 1 . 2 ]" 3 116 1 89 HIS O 1 92 GLN N 3.300 2.600 3.800 3.646 3.508 3.706 . 0 0 "[ . 1 . 2 ]" 3 117 1 106 PHE O 1 109 ASP H 2.300 . 2.800 2.501 2.214 2.802 0.002 5 0 "[ . 1 . 2 ]" 3 118 1 106 PHE O 1 109 ASP N 3.300 2.600 3.800 3.233 3.041 3.437 . 0 0 "[ . 1 . 2 ]" 3 119 1 107 LYS O 1 110 VAL H 2.300 . 2.800 2.711 2.460 2.805 0.005 15 0 "[ . 1 . 2 ]" 3 120 1 107 LYS O 1 110 VAL N 3.300 2.600 3.800 3.544 3.366 3.649 . 0 0 "[ . 1 . 2 ]" 3 121 1 120 GLY H 1 150 ALA O 2.300 . 2.800 2.163 2.023 2.252 . 0 0 "[ . 1 . 2 ]" 3 122 1 120 GLY N 1 150 ALA O 3.300 2.600 3.800 2.845 2.685 2.946 . 0 0 "[ . 1 . 2 ]" 3 123 1 11 GLY O 1 128 MET H 2.300 . 2.800 2.802 2.800 2.804 0.004 13 0 "[ . 1 . 2 ]" 3 124 1 11 GLY O 1 128 MET N 3.300 2.600 3.800 3.662 3.609 3.739 . 0 0 "[ . 1 . 2 ]" 3 125 1 131 LEU O 1 133 TRP H 2.300 . 2.800 2.363 2.197 2.538 . 0 0 "[ . 1 . 2 ]" 3 126 1 131 LEU O 1 133 TRP N 3.300 2.600 3.800 3.004 2.854 3.164 . 0 0 "[ . 1 . 2 ]" 3 127 1 132 ASN O 1 135 ASP H 2.300 . 2.800 2.390 2.237 2.591 . 0 0 "[ . 1 . 2 ]" 3 128 1 132 ASN O 1 135 ASP N 3.300 2.600 3.800 3.276 3.158 3.446 . 0 0 "[ . 1 . 2 ]" 3 129 1 148 ASN O 1 151 LEU H 2.300 . 2.800 2.176 1.938 2.810 0.010 13 0 "[ . 1 . 2 ]" 3 130 1 148 ASN O 1 151 LEU N 3.300 2.600 3.800 2.901 2.680 3.580 . 0 0 "[ . 1 . 2 ]" 3 131 1 149 PRO O 1 152 THR H 2.300 . 2.800 2.327 2.040 2.806 0.006 13 0 "[ . 1 . 2 ]" 3 132 1 149 PRO O 1 152 THR N 3.300 2.600 3.800 3.143 2.914 3.697 . 0 0 "[ . 1 . 2 ]" 3 133 1 30 PHE O 1 34 THR HG1 2.300 . 2.500 2.025 1.685 2.496 . 0 0 "[ . 1 . 2 ]" 3 134 1 30 PHE O 1 34 THR OG1 3.300 2.600 3.500 2.648 2.615 2.685 . 0 0 "[ . 1 . 2 ]" 3 stop_ save_
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