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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
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398048 |
1t4z ![]() ![]() |
5141 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1t4z 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 1723 _Distance_constraint_stats_list.Viol_count 3088 _Distance_constraint_stats_list.Viol_total 4349.622 _Distance_constraint_stats_list.Viol_max 0.275 _Distance_constraint_stats_list.Viol_rms 0.0179 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0040 _Distance_constraint_stats_list.Viol_average_violations_only 0.0563 _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 10 ALA 0.421 0.106 3 0 "[ . 1 . 2 .]" 1 11 GLN 1.411 0.106 3 0 "[ . 1 . 2 .]" 1 12 PRO 0.019 0.019 23 0 "[ . 1 . 2 .]" 1 13 LEU 6.578 0.183 24 0 "[ . 1 . 2 .]" 1 14 LEU 9.804 0.160 12 0 "[ . 1 . 2 .]" 1 15 LEU 3.502 0.129 1 0 "[ . 1 . 2 .]" 1 16 GLN 5.471 0.158 6 0 "[ . 1 . 2 .]" 1 17 LEU 1.801 0.103 6 0 "[ . 1 . 2 .]" 1 18 PHE 3.451 0.186 3 0 "[ . 1 . 2 .]" 1 19 VAL 3.115 0.131 8 0 "[ . 1 . 2 .]" 1 20 ASP 0.012 0.007 6 0 "[ . 1 . 2 .]" 1 21 THR 0.056 0.026 6 0 "[ . 1 . 2 .]" 1 22 ARG 1.903 0.134 3 0 "[ . 1 . 2 .]" 1 23 PRO 3.374 0.111 6 0 "[ . 1 . 2 .]" 1 24 LEU 4.278 0.139 3 0 "[ . 1 . 2 .]" 1 25 SER 3.137 0.127 22 0 "[ . 1 . 2 .]" 1 26 GLN 0.740 0.065 3 0 "[ . 1 . 2 .]" 1 27 HIS 4.501 0.139 3 0 "[ . 1 . 2 .]" 1 28 ILE 1.711 0.127 22 0 "[ . 1 . 2 .]" 1 29 VAL 2.457 0.073 23 0 "[ . 1 . 2 .]" 1 30 GLN 3.996 0.123 3 0 "[ . 1 . 2 .]" 1 31 ARG 4.513 0.275 24 0 "[ . 1 . 2 .]" 1 32 VAL 1.070 0.130 10 0 "[ . 1 . 2 .]" 1 33 LYS 4.571 0.085 23 0 "[ . 1 . 2 .]" 1 34 ASN 6.346 0.123 3 0 "[ . 1 . 2 .]" 1 35 ILE 3.906 0.115 15 0 "[ . 1 . 2 .]" 1 36 LEU 0.098 0.028 5 0 "[ . 1 . 2 .]" 1 37 ALA 1.528 0.115 8 0 "[ . 1 . 2 .]" 1 38 ALA 6.198 0.142 18 0 "[ . 1 . 2 .]" 1 39 VAL 2.328 0.142 18 0 "[ . 1 . 2 .]" 1 40 GLU 0.808 0.187 13 0 "[ . 1 . 2 .]" 1 41 ALA 0.042 0.028 6 0 "[ . 1 . 2 .]" 1 42 THR 0.007 0.007 19 0 "[ . 1 . 2 .]" 1 43 VAL 3.246 0.144 11 0 "[ . 1 . 2 .]" 1 44 PRO 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 45 ILE 8.600 0.183 24 0 "[ . 1 . 2 .]" 1 46 SER 0.543 0.105 12 0 "[ . 1 . 2 .]" 1 47 LEU 2.364 0.099 14 0 "[ . 1 . 2 .]" 1 48 GLN 1.892 0.180 23 0 "[ . 1 . 2 .]" 1 49 VAL 6.709 0.158 6 0 "[ . 1 . 2 .]" 1 50 ILE 3.821 0.131 8 0 "[ . 1 . 2 .]" 1 51 ASN 5.584 0.129 15 0 "[ . 1 . 2 .]" 1 52 VAL 1.362 0.110 1 0 "[ . 1 . 2 .]" 1 53 ALA 2.802 0.141 21 0 "[ . 1 . 2 .]" 1 54 ASP 4.695 0.187 6 0 "[ . 1 . 2 .]" 1 55 GLN 2.963 0.187 6 0 "[ . 1 . 2 .]" 1 56 PRO 1.674 0.146 23 0 "[ . 1 . 2 .]" 1 57 GLN 3.436 0.187 25 0 "[ . 1 . 2 .]" 1 58 LEU 8.861 0.187 25 0 "[ . 1 . 2 .]" 1 59 VAL 7.597 0.229 16 0 "[ . 1 . 2 .]" 1 60 GLU 2.214 0.274 7 0 "[ . 1 . 2 .]" 1 61 TYR 1.729 0.176 9 0 "[ . 1 . 2 .]" 1 62 TYR 6.984 0.105 20 0 "[ . 1 . 2 .]" 1 63 ARG 3.428 0.205 25 0 "[ . 1 . 2 .]" 1 64 LEU 11.879 0.229 16 0 "[ . 1 . 2 .]" 1 65 VAL 2.866 0.145 15 0 "[ . 1 . 2 .]" 1 66 VAL 10.496 0.215 21 0 "[ . 1 . 2 .]" 1 67 THR 3.385 0.125 10 0 "[ . 1 . 2 .]" 1 68 PRO 1.466 0.096 21 0 "[ . 1 . 2 .]" 1 69 ALA 3.313 0.169 10 0 "[ . 1 . 2 .]" 1 70 LEU 2.895 0.103 6 0 "[ . 1 . 2 .]" 1 71 VAL 5.511 0.159 8 0 "[ . 1 . 2 .]" 1 72 LYS 3.268 0.099 12 0 "[ . 1 . 2 .]" 1 73 ILE 2.989 0.097 2 0 "[ . 1 . 2 .]" 1 74 GLY 3.913 0.160 12 0 "[ . 1 . 2 .]" 1 75 PRO 0.580 0.075 20 0 "[ . 1 . 2 .]" 1 76 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 77 SER 1.866 0.125 5 0 "[ . 1 . 2 .]" 1 78 ARG 3.220 0.125 5 0 "[ . 1 . 2 .]" 1 79 GLN 0.252 0.045 24 0 "[ . 1 . 2 .]" 1 80 VAL 0.005 0.005 6 0 "[ . 1 . 2 .]" 1 81 LEU 4.417 0.164 10 0 "[ . 1 . 2 .]" 1 82 SER 3.122 0.129 13 0 "[ . 1 . 2 .]" 1 83 GLY 9.822 0.169 10 0 "[ . 1 . 2 .]" 1 84 ILE 3.032 0.108 6 0 "[ . 1 . 2 .]" 1 85 ASP 2.011 0.108 6 0 "[ . 1 . 2 .]" 1 86 LEU 3.285 0.256 15 0 "[ . 1 . 2 .]" 1 87 THR 4.238 0.169 14 0 "[ . 1 . 2 .]" 1 88 ASP 1.926 0.077 23 0 "[ . 1 . 2 .]" 1 89 GLN 2.833 0.256 15 0 "[ . 1 . 2 .]" 1 90 LEU 6.272 0.169 14 0 "[ . 1 . 2 .]" 1 91 ALA 1.047 0.130 10 0 "[ . 1 . 2 .]" 1 92 ASN 4.931 0.099 10 0 "[ . 1 . 2 .]" 1 93 GLN 10.087 0.177 15 0 "[ . 1 . 2 .]" 1 94 LEU 2.774 0.091 19 0 "[ . 1 . 2 .]" 1 95 PRO 0.507 0.047 14 0 "[ . 1 . 2 .]" 1 96 GLN 1.752 0.069 7 0 "[ . 1 . 2 .]" 1 97 TRP 4.640 0.134 8 0 "[ . 1 . 2 .]" 1 98 LEU 2.291 0.113 18 0 "[ . 1 . 2 .]" 1 99 VAL 1.500 0.069 15 0 "[ . 1 . 2 .]" 1 100 GLN 1.176 0.125 22 0 "[ . 1 . 2 .]" 1 101 GLN 0.282 0.125 22 0 "[ . 1 . 2 .]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 10 ALA HA 1 11 GLN QG 4.000 . 5.500 3.484 3.163 4.029 . 0 0 "[ . 1 . 2 .]" 1 2 1 10 ALA MB 1 11 GLN QG 3.000 . 4.300 4.175 3.430 4.406 0.106 3 0 "[ . 1 . 2 .]" 1 3 1 10 ALA MB 1 43 VAL MG1 2.500 . 3.700 2.865 2.412 3.258 . 0 0 "[ . 1 . 2 .]" 1 4 1 10 ALA MB 1 43 VAL HA 4.000 . 5.500 5.008 4.112 5.529 0.029 19 0 "[ . 1 . 2 .]" 1 5 1 11 GLN HA 1 11 GLN QG 3.000 . 3.800 2.600 2.180 3.071 . 0 0 "[ . 1 . 2 .]" 1 6 1 11 GLN HA 1 12 PRO HD3 2.500 . 2.700 2.315 2.069 2.566 . 0 0 "[ . 1 . 2 .]" 1 7 1 11 GLN QG 1 12 PRO HD2 4.000 . 5.500 3.872 2.808 4.615 . 0 0 "[ . 1 . 2 .]" 1 8 1 11 GLN QG 1 14 LEU MD1 4.000 . 6.000 6.002 5.796 6.083 0.083 20 0 "[ . 1 . 2 .]" 1 9 1 11 GLN QG 1 75 PRO HG3 4.000 . 5.500 4.619 3.804 5.481 . 0 0 "[ . 1 . 2 .]" 1 10 1 12 PRO HB3 1 14 LEU MD2 4.000 . 5.500 4.588 4.271 4.922 . 0 0 "[ . 1 . 2 .]" 1 11 1 12 PRO HB2 1 14 LEU MD2 4.000 . 5.500 3.085 2.804 3.553 . 0 0 "[ . 1 . 2 .]" 1 12 1 12 PRO QG 1 14 LEU MD2 4.000 . 6.000 3.512 3.215 3.848 . 0 0 "[ . 1 . 2 .]" 1 13 1 13 LEU HA 1 13 LEU MD1 4.000 . 5.500 3.689 3.636 3.727 . 0 0 "[ . 1 . 2 .]" 1 14 1 13 LEU HB3 1 13 LEU MD1 3.000 . 3.800 2.355 2.286 2.426 . 0 0 "[ . 1 . 2 .]" 1 15 1 13 LEU HB2 1 13 LEU MD1 3.000 . 3.800 2.275 2.155 2.333 . 0 0 "[ . 1 . 2 .]" 1 16 1 13 LEU HA 1 13 LEU MD2 2.500 . 3.200 2.829 2.685 2.957 . 0 0 "[ . 1 . 2 .]" 1 17 1 13 LEU HA 1 13 LEU HG 4.000 . 5.000 2.322 2.275 2.373 . 0 0 "[ . 1 . 2 .]" 1 18 1 13 LEU MD1 1 45 ILE HA 3.000 . 3.800 3.916 3.862 3.983 0.183 24 0 "[ . 1 . 2 .]" 1 19 1 13 LEU HB3 1 45 ILE MG 4.000 . 5.500 2.102 1.940 2.322 . 0 0 "[ . 1 . 2 .]" 1 20 1 13 LEU HB3 1 45 ILE HA 4.000 . 5.000 2.156 2.108 2.225 . 0 0 "[ . 1 . 2 .]" 1 21 1 13 LEU HB2 1 45 ILE MD 4.000 . 5.500 4.441 4.060 4.645 . 0 0 "[ . 1 . 2 .]" 1 22 1 13 LEU HB2 1 45 ILE HA 4.000 . 5.000 3.352 3.047 3.535 . 0 0 "[ . 1 . 2 .]" 1 23 1 13 LEU HB2 1 45 ILE MG 4.000 . 5.500 3.516 3.336 3.725 . 0 0 "[ . 1 . 2 .]" 1 24 1 13 LEU HG 1 45 ILE MG 4.000 . 5.500 3.959 3.862 4.170 . 0 0 "[ . 1 . 2 .]" 1 25 1 13 LEU MD1 1 72 LYS HG3 2.500 . 3.200 3.202 2.965 3.286 0.086 5 0 "[ . 1 . 2 .]" 1 26 1 13 LEU MD2 1 72 LYS HG2 3.000 . 3.800 2.815 2.292 3.093 . 0 0 "[ . 1 . 2 .]" 1 27 1 13 LEU MD2 1 72 LYS HD2 4.000 . 5.500 4.259 3.972 4.631 . 0 0 "[ . 1 . 2 .]" 1 28 1 13 LEU MD2 1 72 LYS HD3 4.000 . 5.500 3.832 2.807 4.451 . 0 0 "[ . 1 . 2 .]" 1 29 1 13 LEU HA 1 75 PRO HD3 3.000 . 3.300 2.215 2.046 3.325 0.025 1 0 "[ . 1 . 2 .]" 1 30 1 13 LEU MD2 1 75 PRO HD3 4.000 . 5.500 4.061 3.649 4.528 . 0 0 "[ . 1 . 2 .]" 1 31 1 13 LEU MD2 1 75 PRO HD2 3.000 . 3.800 3.780 3.648 3.868 0.068 2 0 "[ . 1 . 2 .]" 1 32 1 13 LEU HA 1 75 PRO HD2 3.000 . 3.300 2.222 2.132 3.375 0.075 20 0 "[ . 1 . 2 .]" 1 33 1 13 LEU MD1 1 97 TRP HE3 4.000 . 5.500 2.472 2.052 2.925 . 0 0 "[ . 1 . 2 .]" 1 34 1 13 LEU MD1 1 97 TRP HZ3 4.000 . 5.500 3.379 2.685 3.900 . 0 0 "[ . 1 . 2 .]" 1 35 1 13 LEU MD2 1 97 TRP HZ3 4.000 . 5.500 3.788 3.239 4.322 . 0 0 "[ . 1 . 2 .]" 1 36 1 14 LEU HA 1 14 LEU HG 4.000 . 5.000 3.267 3.146 3.733 . 0 0 "[ . 1 . 2 .]" 1 37 1 14 LEU HA 1 14 LEU MD1 4.000 . 5.500 3.581 2.154 3.729 . 0 0 "[ . 1 . 2 .]" 1 38 1 14 LEU HB2 1 14 LEU MD1 3.000 . 3.800 2.503 2.385 3.164 . 0 0 "[ . 1 . 2 .]" 1 39 1 14 LEU HB3 1 14 LEU MD1 3.000 . 3.800 2.273 2.145 2.359 . 0 0 "[ . 1 . 2 .]" 1 40 1 14 LEU HB2 1 14 LEU MD2 3.000 . 3.800 3.142 2.589 3.192 . 0 0 "[ . 1 . 2 .]" 1 41 1 14 LEU HA 1 14 LEU MD2 2.500 . 3.200 1.955 1.931 2.123 . 0 0 "[ . 1 . 2 .]" 1 42 1 14 LEU HB3 1 14 LEU MD2 3.000 . 3.800 2.479 2.350 3.174 . 0 0 "[ . 1 . 2 .]" 1 43 1 14 LEU MD2 1 45 ILE MG 3.000 . 4.300 4.411 4.369 4.447 0.147 5 0 "[ . 1 . 2 .]" 1 44 1 14 LEU MD2 1 46 SER HA 4.000 . 5.500 5.164 4.685 5.540 0.040 8 0 "[ . 1 . 2 .]" 1 45 1 14 LEU MD2 1 46 SER HB3 3.000 . 3.800 2.721 2.242 3.215 . 0 0 "[ . 1 . 2 .]" 1 46 1 14 LEU MD2 1 46 SER HB2 3.000 . 3.800 3.541 2.959 3.765 . 0 0 "[ . 1 . 2 .]" 1 47 1 14 LEU HA 1 46 SER HB3 3.000 . 3.300 2.859 2.336 3.238 . 0 0 "[ . 1 . 2 .]" 1 48 1 14 LEU HA 1 46 SER HB2 4.000 . 5.000 4.365 3.818 4.624 . 0 0 "[ . 1 . 2 .]" 1 49 1 14 LEU MD1 1 73 ILE HG13 4.000 . 5.500 3.093 2.851 3.705 . 0 0 "[ . 1 . 2 .]" 1 50 1 14 LEU HB2 1 73 ILE HB 4.000 . 5.000 3.713 3.536 4.088 . 0 0 "[ . 1 . 2 .]" 1 51 1 14 LEU HB3 1 73 ILE MG 4.000 . 5.500 4.659 4.403 4.883 . 0 0 "[ . 1 . 2 .]" 1 52 1 14 LEU HB3 1 73 ILE MD 4.000 . 5.500 3.238 3.032 3.394 . 0 0 "[ . 1 . 2 .]" 1 53 1 14 LEU HB2 1 73 ILE MG 4.000 . 5.500 4.616 4.471 4.885 . 0 0 "[ . 1 . 2 .]" 1 54 1 14 LEU HB2 1 73 ILE MD 4.000 . 5.500 3.615 3.396 3.802 . 0 0 "[ . 1 . 2 .]" 1 55 1 14 LEU HB3 1 73 ILE HB 4.000 . 5.000 4.360 3.976 4.808 . 0 0 "[ . 1 . 2 .]" 1 56 1 14 LEU MD1 1 73 ILE HB 4.000 . 5.500 3.933 3.559 5.272 . 0 0 "[ . 1 . 2 .]" 1 57 1 14 LEU MD1 1 73 ILE MG 4.000 . 6.000 4.615 4.424 5.277 . 0 0 "[ . 1 . 2 .]" 1 58 1 14 LEU MD1 1 73 ILE MD 3.000 . 4.300 4.233 4.073 4.345 0.045 14 0 "[ . 1 . 2 .]" 1 59 1 15 LEU HA 1 15 LEU MD2 3.000 . 3.800 1.967 1.937 1.979 . 0 0 "[ . 1 . 2 .]" 1 60 1 15 LEU HA 1 15 LEU MD1 4.000 . 5.500 2.733 2.635 2.851 . 0 0 "[ . 1 . 2 .]" 1 61 1 15 LEU MD1 1 45 ILE MG 2.500 . 3.700 3.786 3.723 3.829 0.129 1 0 "[ . 1 . 2 .]" 1 62 1 15 LEU HB3 1 47 LEU HA 4.000 . 5.000 2.525 2.252 2.790 . 0 0 "[ . 1 . 2 .]" 1 63 1 15 LEU MD1 1 47 LEU MD2 3.000 . 4.300 2.222 2.092 2.366 . 0 0 "[ . 1 . 2 .]" 1 64 1 15 LEU HB3 1 47 LEU MD2 3.000 . 3.800 3.450 2.908 3.697 . 0 0 "[ . 1 . 2 .]" 1 65 1 15 LEU HA 1 47 LEU MD2 4.000 . 5.500 4.848 4.721 4.994 . 0 0 "[ . 1 . 2 .]" 1 66 1 15 LEU MD2 1 70 LEU MD1 2.500 . 3.700 3.123 2.914 3.478 . 0 0 "[ . 1 . 2 .]" 1 67 1 15 LEU HA 1 72 LYS HA 3.000 . 3.300 2.611 2.447 2.803 . 0 0 "[ . 1 . 2 .]" 1 68 1 15 LEU MD2 1 72 LYS HD2 4.000 . 5.500 4.349 3.935 4.808 . 0 0 "[ . 1 . 2 .]" 1 69 1 15 LEU MD2 1 72 LYS HG2 3.000 . 3.800 3.077 2.339 3.590 . 0 0 "[ . 1 . 2 .]" 1 70 1 15 LEU MD2 1 72 LYS HA 2.500 . 3.200 2.223 1.928 2.460 . 0 0 "[ . 1 . 2 .]" 1 71 1 15 LEU MD2 1 72 LYS HB2 4.000 . 6.500 2.466 2.146 2.819 . 0 0 "[ . 1 . 2 .]" 1 72 1 15 LEU MD2 1 97 TRP HZ3 3.000 . 3.800 2.631 2.133 3.453 . 0 0 "[ . 1 . 2 .]" 1 73 1 15 LEU MD2 1 97 TRP HH2 3.000 . 3.800 2.501 2.159 2.971 . 0 0 "[ . 1 . 2 .]" 1 74 1 16 GLN HA 1 16 GLN HG2 4.000 . 5.000 2.351 2.273 2.419 . 0 0 "[ . 1 . 2 .]" 1 75 1 16 GLN HA 1 16 GLN HG3 4.000 . 5.000 2.785 2.651 2.940 . 0 0 "[ . 1 . 2 .]" 1 76 1 16 GLN HB3 1 18 PHE QE 4.000 . 5.000 3.547 2.416 4.375 . 0 0 "[ . 1 . 2 .]" 1 77 1 16 GLN HA 1 48 GLN QG 4.000 . 5.500 4.972 4.557 5.353 . 0 0 "[ . 1 . 2 .]" 1 78 1 16 GLN HA 1 48 GLN HB3 4.000 . 5.000 3.985 3.561 4.448 . 0 0 "[ . 1 . 2 .]" 1 79 1 16 GLN HB2 1 50 ILE MD 4.000 . 5.500 3.636 3.095 4.255 . 0 0 "[ . 1 . 2 .]" 1 80 1 16 GLN HB3 1 50 ILE MD 4.000 . 5.500 2.706 2.140 3.248 . 0 0 "[ . 1 . 2 .]" 1 81 1 16 GLN HG3 1 50 ILE MD 4.000 . 5.500 4.330 3.901 4.619 . 0 0 "[ . 1 . 2 .]" 1 82 1 16 GLN HG2 1 50 ILE MD 4.000 . 5.500 3.575 3.120 3.963 . 0 0 "[ . 1 . 2 .]" 1 83 1 16 GLN HA 1 50 ILE MD 4.000 . 5.500 4.751 4.190 5.079 . 0 0 "[ . 1 . 2 .]" 1 84 1 16 GLN HB2 1 73 ILE MD 4.000 . 6.500 2.551 2.261 2.878 . 0 0 "[ . 1 . 2 .]" 1 85 1 16 GLN HG2 1 73 ILE MD 3.000 . 3.800 3.766 3.530 3.855 0.055 19 0 "[ . 1 . 2 .]" 1 86 1 17 LEU HA 1 17 LEU HG 4.000 . 6.000 2.809 2.717 2.892 . 0 0 "[ . 1 . 2 .]" 1 87 1 17 LEU HA 1 17 LEU MD2 4.000 . 5.500 3.856 3.827 3.885 . 0 0 "[ . 1 . 2 .]" 1 88 1 17 LEU HA 1 17 LEU MD1 3.000 . 3.800 2.201 2.103 2.343 . 0 0 "[ . 1 . 2 .]" 1 89 1 17 LEU MD1 1 18 PHE HA 4.000 . 5.500 4.984 4.842 5.134 . 0 0 "[ . 1 . 2 .]" 1 90 1 17 LEU HG 1 19 VAL MG1 3.000 . 3.800 2.237 2.032 2.504 . 0 0 "[ . 1 . 2 .]" 1 91 1 17 LEU MD2 1 28 ILE MG 3.000 . 4.300 3.367 3.048 3.625 . 0 0 "[ . 1 . 2 .]" 1 92 1 17 LEU MD2 1 29 VAL MG2 2.500 . 3.700 1.801 1.740 1.912 0.060 3 0 "[ . 1 . 2 .]" 1 93 1 17 LEU MD2 1 29 VAL HA 3.000 . 3.800 2.781 2.664 2.919 . 0 0 "[ . 1 . 2 .]" 1 94 1 17 LEU MD1 1 29 VAL HA 4.000 . 5.500 4.283 3.922 4.495 . 0 0 "[ . 1 . 2 .]" 1 95 1 17 LEU MD2 1 29 VAL MG1 2.500 . 3.700 3.245 2.948 3.412 . 0 0 "[ . 1 . 2 .]" 1 96 1 17 LEU MD2 1 32 VAL HB 3.000 . 3.800 3.802 3.684 3.860 0.060 3 0 "[ . 1 . 2 .]" 1 97 1 17 LEU HB3 1 47 LEU MD2 4.000 . 5.500 2.684 2.371 3.253 . 0 0 "[ . 1 . 2 .]" 1 98 1 17 LEU HB2 1 47 LEU MD2 3.000 . 3.800 2.425 2.178 2.892 . 0 0 "[ . 1 . 2 .]" 1 99 1 17 LEU MD2 1 49 VAL HA 4.000 . 6.500 4.160 4.005 4.412 . 0 0 "[ . 1 . 2 .]" 1 100 1 17 LEU HB3 1 49 VAL HA 4.000 . 5.000 2.826 2.649 2.993 . 0 0 "[ . 1 . 2 .]" 1 101 1 17 LEU MD2 1 49 VAL QG 2.500 . 3.700 2.528 2.244 2.840 . 0 0 "[ . 1 . 2 .]" 1 102 1 17 LEU HB3 1 49 VAL QG 4.000 . 5.500 2.418 2.041 2.801 . 0 0 "[ . 1 . 2 .]" 1 103 1 17 LEU HB2 1 49 VAL HA 4.000 . 5.000 4.315 4.116 4.494 . 0 0 "[ . 1 . 2 .]" 1 104 1 17 LEU MD1 1 68 PRO HB3 4.000 . 5.500 3.978 3.731 4.234 . 0 0 "[ . 1 . 2 .]" 1 105 1 17 LEU HA 1 70 LEU HA 3.000 . 3.300 2.133 2.099 2.177 . 0 0 "[ . 1 . 2 .]" 1 106 1 17 LEU MD1 1 70 LEU HA 3.000 . 3.800 2.172 2.115 2.340 . 0 0 "[ . 1 . 2 .]" 1 107 1 17 LEU HA 1 70 LEU HB3 4.000 . 5.000 4.863 4.682 5.022 0.022 21 0 "[ . 1 . 2 .]" 1 108 1 17 LEU HA 1 70 LEU HG 4.000 . 6.000 2.730 2.340 3.039 . 0 0 "[ . 1 . 2 .]" 1 109 1 17 LEU HA 1 70 LEU MD2 4.000 . 5.500 3.847 3.666 4.019 . 0 0 "[ . 1 . 2 .]" 1 110 1 17 LEU HB3 1 70 LEU MD2 4.000 . 5.500 5.530 5.413 5.603 0.103 6 0 "[ . 1 . 2 .]" 1 111 1 17 LEU MD1 1 70 LEU HB2 3.000 . 3.800 2.049 1.930 2.196 . 0 0 "[ . 1 . 2 .]" 1 112 1 17 LEU MD1 1 70 LEU MD2 2.500 . 3.700 3.565 3.462 3.694 . 0 0 "[ . 1 . 2 .]" 1 113 1 17 LEU HG 1 86 LEU QD 4.000 . 5.500 3.997 3.835 4.245 . 0 0 "[ . 1 . 2 .]" 1 114 1 17 LEU MD1 1 86 LEU QD 2.500 . 3.700 2.017 1.837 2.233 . 0 0 "[ . 1 . 2 .]" 1 115 1 18 PHE HA 1 18 PHE QD 4.000 . 5.000 2.928 2.655 3.059 . 0 0 "[ . 1 . 2 .]" 1 116 1 18 PHE HA 1 19 VAL MG1 4.000 . 5.500 3.427 3.255 3.636 . 0 0 "[ . 1 . 2 .]" 1 117 1 18 PHE HA 1 19 VAL MG2 4.000 . 5.500 3.848 3.666 4.017 . 0 0 "[ . 1 . 2 .]" 1 118 1 18 PHE QD 1 50 ILE MG 4.000 . 5.500 3.338 2.782 4.163 . 0 0 "[ . 1 . 2 .]" 1 119 1 18 PHE QD 1 50 ILE MD 4.000 . 6.500 3.636 3.283 3.868 . 0 0 "[ . 1 . 2 .]" 1 120 1 18 PHE QE 1 50 ILE MG 4.000 . 5.500 2.585 2.168 3.604 . 0 0 "[ . 1 . 2 .]" 1 121 1 18 PHE HA 1 50 ILE HB 3.000 . 3.300 2.874 2.526 3.177 . 0 0 "[ . 1 . 2 .]" 1 122 1 18 PHE HA 1 50 ILE MG 4.000 . 5.500 4.257 3.943 4.587 . 0 0 "[ . 1 . 2 .]" 1 123 1 18 PHE HA 1 50 ILE MD 4.000 . 5.500 4.508 3.939 4.752 . 0 0 "[ . 1 . 2 .]" 1 124 1 18 PHE QE 1 50 ILE MD 4.000 . 6.500 2.391 2.129 2.708 . 0 0 "[ . 1 . 2 .]" 1 125 1 18 PHE HZ 1 50 ILE MD 4.000 . 5.500 2.368 1.979 2.771 . 0 0 "[ . 1 . 2 .]" 1 126 1 18 PHE QD 1 52 VAL MG1 3.000 . 3.800 2.028 1.937 2.134 . 0 0 "[ . 1 . 2 .]" 1 127 1 18 PHE QD 1 52 VAL HA 4.000 . 5.000 3.487 2.914 3.885 . 0 0 "[ . 1 . 2 .]" 1 128 1 18 PHE HA 1 52 VAL MG1 4.000 . 5.500 3.207 2.966 3.504 . 0 0 "[ . 1 . 2 .]" 1 129 1 18 PHE HB3 1 52 VAL MG1 3.000 . 3.800 2.092 1.912 2.447 . 0 0 "[ . 1 . 2 .]" 1 130 1 18 PHE QE 1 52 VAL MG1 3.000 . 3.800 3.841 3.746 3.910 0.110 1 0 "[ . 1 . 2 .]" 1 131 1 18 PHE HB2 1 52 VAL MG1 4.000 . 5.500 3.465 3.262 3.858 . 0 0 "[ . 1 . 2 .]" 1 132 1 18 PHE HB3 1 52 VAL MG2 4.000 . 5.500 4.127 3.815 4.496 . 0 0 "[ . 1 . 2 .]" 1 133 1 18 PHE HA 1 52 VAL MG2 4.000 . 6.500 5.093 4.694 5.417 . 0 0 "[ . 1 . 2 .]" 1 134 1 18 PHE QD 1 52 VAL MG2 4.000 . 6.500 4.522 4.375 4.741 . 0 0 "[ . 1 . 2 .]" 1 135 1 18 PHE HB2 1 52 VAL MG2 4.000 . 6.500 5.478 5.048 5.877 . 0 0 "[ . 1 . 2 .]" 1 136 1 18 PHE QE 1 58 LEU MD1 4.000 . 6.500 2.102 1.867 2.699 . 0 0 "[ . 1 . 2 .]" 1 137 1 18 PHE QE 1 58 LEU MD2 4.000 . 5.500 2.705 2.098 4.317 . 0 0 "[ . 1 . 2 .]" 1 138 1 18 PHE HZ 1 58 LEU MD1 4.000 . 5.500 2.668 1.948 3.699 . 0 0 "[ . 1 . 2 .]" 1 139 1 18 PHE QD 1 59 VAL MG2 3.000 . 3.800 2.337 2.117 2.813 . 0 0 "[ . 1 . 2 .]" 1 140 1 18 PHE QE 1 59 VAL MG2 4.000 . 5.500 2.504 2.071 3.497 . 0 0 "[ . 1 . 2 .]" 1 141 1 18 PHE HZ 1 62 TYR QE 4.000 . 5.000 3.041 2.191 4.177 . 0 0 "[ . 1 . 2 .]" 1 142 1 18 PHE QD 1 64 LEU MD1 4.000 . 5.500 4.120 3.546 4.651 . 0 0 "[ . 1 . 2 .]" 1 143 1 18 PHE HB3 1 64 LEU MD1 4.000 . 5.500 3.744 2.874 4.217 . 0 0 "[ . 1 . 2 .]" 1 144 1 18 PHE QD 1 64 LEU MD2 4.000 . 6.500 4.450 3.266 5.535 . 0 0 "[ . 1 . 2 .]" 1 145 1 18 PHE HB2 1 64 LEU MD1 4.000 . 5.500 3.521 2.591 3.859 . 0 0 "[ . 1 . 2 .]" 1 146 1 18 PHE HA 1 67 THR MG 4.000 . 6.500 4.686 4.243 5.107 . 0 0 "[ . 1 . 2 .]" 1 147 1 18 PHE HB3 1 67 THR MG 3.000 . 3.800 2.830 2.312 3.339 . 0 0 "[ . 1 . 2 .]" 1 148 1 18 PHE HB2 1 67 THR MG 4.000 . 5.500 3.386 2.974 3.956 . 0 0 "[ . 1 . 2 .]" 1 149 1 18 PHE QD 1 69 ALA MB 4.000 . 5.500 3.614 2.967 4.231 . 0 0 "[ . 1 . 2 .]" 1 150 1 18 PHE HB2 1 69 ALA MB 4.000 . 5.500 2.462 2.177 2.745 . 0 0 "[ . 1 . 2 .]" 1 151 1 18 PHE HB3 1 69 ALA MB 4.000 . 6.500 3.704 3.322 3.946 . 0 0 "[ . 1 . 2 .]" 1 152 1 18 PHE QE 1 71 VAL MG2 4.000 . 5.500 2.899 2.173 3.873 . 0 0 "[ . 1 . 2 .]" 1 153 1 18 PHE QD 1 71 VAL MG2 4.000 . 5.500 2.765 2.220 3.563 . 0 0 "[ . 1 . 2 .]" 1 154 1 19 VAL HA 1 19 VAL MG1 2.500 . 3.200 2.420 2.332 2.511 . 0 0 "[ . 1 . 2 .]" 1 155 1 19 VAL HA 1 19 VAL MG2 3.000 . 3.800 3.183 3.170 3.194 . 0 0 "[ . 1 . 2 .]" 1 156 1 19 VAL HB 1 25 SER HA 4.000 . 5.000 4.547 4.428 4.957 . 0 0 "[ . 1 . 2 .]" 1 157 1 19 VAL MG2 1 25 SER HA 4.000 . 6.500 5.565 5.381 5.790 . 0 0 "[ . 1 . 2 .]" 1 158 1 19 VAL HB 1 25 SER QB 4.000 . 5.500 2.125 1.981 2.555 . 0 0 "[ . 1 . 2 .]" 1 159 1 19 VAL HB 1 26 GLN HA 4.000 . 6.000 5.750 5.320 5.989 . 0 0 "[ . 1 . 2 .]" 1 160 1 19 VAL MG2 1 29 VAL MG2 3.000 . 4.300 3.810 3.537 3.959 . 0 0 "[ . 1 . 2 .]" 1 161 1 19 VAL MG2 1 49 VAL HA 4.000 . 5.500 4.427 4.264 4.762 . 0 0 "[ . 1 . 2 .]" 1 162 1 19 VAL MG2 1 51 ASN HA 2.500 . 3.200 2.927 2.745 3.109 . 0 0 "[ . 1 . 2 .]" 1 163 1 19 VAL MG2 1 51 ASN HB3 4.000 . 5.500 4.774 4.188 5.257 . 0 0 "[ . 1 . 2 .]" 1 164 1 19 VAL MG2 1 51 ASN HB2 4.000 . 5.500 4.731 3.769 5.275 . 0 0 "[ . 1 . 2 .]" 1 165 1 19 VAL MG2 1 52 VAL MG1 4.000 . 6.000 4.299 4.095 4.501 . 0 0 "[ . 1 . 2 .]" 1 166 1 19 VAL HA 1 52 VAL MG1 4.000 . 5.500 3.848 3.526 4.221 . 0 0 "[ . 1 . 2 .]" 1 167 1 19 VAL HA 1 67 THR HB 3.000 . 3.300 3.325 3.241 3.379 0.079 3 0 "[ . 1 . 2 .]" 1 168 1 19 VAL HA 1 67 THR MG 3.000 . 3.800 3.617 3.277 3.814 0.014 7 0 "[ . 1 . 2 .]" 1 169 1 19 VAL MG1 1 68 PRO QG 4.000 . 6.000 4.027 3.783 4.189 . 0 0 "[ . 1 . 2 .]" 1 170 1 19 VAL MG1 1 68 PRO HB3 3.000 . 3.800 2.629 2.447 2.776 . 0 0 "[ . 1 . 2 .]" 1 171 1 19 VAL MG1 1 68 PRO HA 4.000 . 5.500 3.796 3.631 3.916 . 0 0 "[ . 1 . 2 .]" 1 172 1 19 VAL MG1 1 68 PRO HB2 3.000 . 3.800 3.726 3.513 3.855 0.055 13 0 "[ . 1 . 2 .]" 1 173 1 19 VAL HA 1 68 PRO HA 3.000 . 3.300 3.015 2.816 3.191 . 0 0 "[ . 1 . 2 .]" 1 174 1 19 VAL HA 1 68 PRO QG 4.000 . 6.500 4.331 4.004 4.665 . 0 0 "[ . 1 . 2 .]" 1 175 1 19 VAL HA 1 68 PRO HB2 4.000 . 5.000 4.657 4.405 4.993 . 0 0 "[ . 1 . 2 .]" 1 176 1 19 VAL HA 1 68 PRO HB3 4.000 . 5.000 3.073 2.827 3.447 . 0 0 "[ . 1 . 2 .]" 1 177 1 20 ASP HA 1 21 THR MG 4.000 . 5.500 3.061 2.968 3.446 . 0 0 "[ . 1 . 2 .]" 1 178 1 20 ASP HA 1 52 VAL MG1 4.000 . 5.500 4.101 3.768 4.682 . 0 0 "[ . 1 . 2 .]" 1 179 1 20 ASP HA 1 52 VAL MG2 2.500 . 3.200 2.337 2.117 2.881 . 0 0 "[ . 1 . 2 .]" 1 180 1 20 ASP HB2 1 52 VAL MG2 4.000 . 5.500 3.350 3.031 3.647 . 0 0 "[ . 1 . 2 .]" 1 181 1 20 ASP HB3 1 52 VAL MG2 3.000 . 3.800 2.649 1.936 3.178 . 0 0 "[ . 1 . 2 .]" 1 182 1 20 ASP HA 1 67 THR MG 4.000 . 5.500 4.794 4.298 5.436 . 0 0 "[ . 1 . 2 .]" 1 183 1 21 THR HA 1 21 THR MG 2.500 . 3.200 2.485 2.273 2.565 . 0 0 "[ . 1 . 2 .]" 1 184 1 21 THR MG 1 53 ALA MB 3.000 . 4.300 3.157 2.592 3.506 . 0 0 "[ . 1 . 2 .]" 1 185 1 22 ARG HA 1 22 ARG HD2 4.000 . 5.000 4.830 4.499 5.096 0.096 9 0 "[ . 1 . 2 .]" 1 186 1 22 ARG HA 1 22 ARG HD3 4.000 . 6.000 5.146 3.846 5.513 . 0 0 "[ . 1 . 2 .]" 1 187 1 22 ARG QG 1 23 PRO HD2 4.000 . 5.500 3.764 3.390 4.182 . 0 0 "[ . 1 . 2 .]" 1 188 1 22 ARG HA 1 23 PRO HD2 3.000 . 3.300 2.219 2.177 2.308 . 0 0 "[ . 1 . 2 .]" 1 189 1 22 ARG HA 1 23 PRO HD3 3.000 . 3.300 2.328 2.193 2.385 . 0 0 "[ . 1 . 2 .]" 1 190 1 22 ARG QB 1 23 PRO HD3 3.000 . 3.800 3.604 3.465 3.816 0.016 3 0 "[ . 1 . 2 .]" 1 191 1 22 ARG QG 1 23 PRO HD3 4.000 . 5.500 4.662 4.389 4.998 . 0 0 "[ . 1 . 2 .]" 1 192 1 22 ARG HD2 1 24 LEU MD2 4.000 . 5.500 4.079 2.812 5.212 . 0 0 "[ . 1 . 2 .]" 1 193 1 23 PRO HD3 1 26 GLN QB 4.000 . 5.500 5.526 5.453 5.565 0.065 3 0 "[ . 1 . 2 .]" 1 194 1 23 PRO HA 1 26 GLN QB 4.000 . 5.500 2.414 2.234 2.523 . 0 0 "[ . 1 . 2 .]" 1 195 1 23 PRO HA 1 26 GLN QG 3.000 . 3.800 2.990 2.577 3.440 . 0 0 "[ . 1 . 2 .]" 1 196 1 23 PRO HG2 1 27 HIS HD2 4.000 . 6.000 6.076 6.038 6.111 0.111 6 0 "[ . 1 . 2 .]" 1 197 1 24 LEU HA 1 24 LEU HG 4.000 . 5.000 2.767 2.549 2.873 . 0 0 "[ . 1 . 2 .]" 1 198 1 24 LEU HB3 1 24 LEU MD2 2.500 . 3.200 2.192 2.105 2.276 . 0 0 "[ . 1 . 2 .]" 1 199 1 24 LEU HB2 1 24 LEU MD2 3.000 . 3.800 2.535 2.465 2.692 . 0 0 "[ . 1 . 2 .]" 1 200 1 24 LEU HA 1 24 LEU MD1 2.500 . 3.200 2.195 2.133 2.377 . 0 0 "[ . 1 . 2 .]" 1 201 1 24 LEU HB2 1 24 LEU MD1 2.500 . 3.200 2.172 2.117 2.242 . 0 0 "[ . 1 . 2 .]" 1 202 1 24 LEU HB3 1 24 LEU MD1 3.000 . 3.800 3.161 3.122 3.176 . 0 0 "[ . 1 . 2 .]" 1 203 1 24 LEU HA 1 24 LEU MD2 3.000 . 3.800 3.840 3.810 3.855 0.055 24 0 "[ . 1 . 2 .]" 1 204 1 24 LEU HA 1 27 HIS QB 3.000 . 3.800 2.090 2.049 2.183 . 0 0 "[ . 1 . 2 .]" 1 205 1 24 LEU MD1 1 27 HIS HD2 4.000 . 5.500 3.514 3.380 3.657 . 0 0 "[ . 1 . 2 .]" 1 206 1 24 LEU MD1 1 27 HIS QB 4.000 . 6.000 2.883 2.632 3.230 . 0 0 "[ . 1 . 2 .]" 1 207 1 24 LEU HA 1 27 HIS HD2 3.000 . 3.300 3.404 3.374 3.439 0.139 3 0 "[ . 1 . 2 .]" 1 208 1 24 LEU HG 1 28 ILE MD 3.000 . 3.800 2.275 2.098 2.557 . 0 0 "[ . 1 . 2 .]" 1 209 1 24 LEU MD1 1 28 ILE MD 3.000 . 4.300 3.257 2.823 3.591 . 0 0 "[ . 1 . 2 .]" 1 210 1 24 LEU MD1 1 28 ILE HG13 3.000 . 3.800 3.210 2.802 3.687 . 0 0 "[ . 1 . 2 .]" 1 211 1 24 LEU HB3 1 28 ILE MD 4.000 . 5.500 4.110 3.881 4.337 . 0 0 "[ . 1 . 2 .]" 1 212 1 24 LEU MD2 1 68 PRO QD 4.000 . 6.000 2.548 2.225 2.920 . 0 0 "[ . 1 . 2 .]" 1 213 1 24 LEU MD2 1 84 ILE HB 4.000 . 5.500 3.364 2.769 4.021 . 0 0 "[ . 1 . 2 .]" 1 214 1 24 LEU MD1 1 84 ILE HA 4.000 . 5.500 5.244 4.574 5.510 0.010 18 0 "[ . 1 . 2 .]" 1 215 1 24 LEU MD2 1 84 ILE HA 4.000 . 5.500 3.926 3.251 4.405 . 0 0 "[ . 1 . 2 .]" 1 216 1 25 SER HA 1 28 ILE MG 4.000 . 5.500 4.016 3.930 4.082 . 0 0 "[ . 1 . 2 .]" 1 217 1 25 SER HA 1 28 ILE MD 4.000 . 5.500 2.981 2.614 3.376 . 0 0 "[ . 1 . 2 .]" 1 218 1 25 SER HA 1 28 ILE HG13 4.000 . 5.000 3.678 3.391 4.052 . 0 0 "[ . 1 . 2 .]" 1 219 1 25 SER HA 1 28 ILE HB 3.000 . 3.300 2.550 2.406 2.684 . 0 0 "[ . 1 . 2 .]" 1 220 1 25 SER HA 1 29 VAL MG2 4.000 . 5.500 3.677 3.353 4.015 . 0 0 "[ . 1 . 2 .]" 1 221 1 25 SER HA 1 68 PRO QG 4.000 . 5.500 2.646 2.349 3.002 . 0 0 "[ . 1 . 2 .]" 1 222 1 25 SER HA 1 68 PRO HB3 4.000 . 6.000 3.236 2.798 3.502 . 0 0 "[ . 1 . 2 .]" 1 223 1 26 GLN HA 1 26 GLN QG 2.500 . 3.200 2.660 2.312 3.058 . 0 0 "[ . 1 . 2 .]" 1 224 1 26 GLN QB 1 27 HIS HA 4.000 . 6.500 3.951 3.926 3.986 . 0 0 "[ . 1 . 2 .]" 1 225 1 26 GLN QB 1 27 HIS HD2 4.000 . 6.500 6.039 5.837 6.175 . 0 0 "[ . 1 . 2 .]" 1 226 1 26 GLN HA 1 29 VAL HB 3.000 . 3.300 2.249 2.181 2.366 . 0 0 "[ . 1 . 2 .]" 1 227 1 26 GLN HA 1 29 VAL MG2 3.000 . 3.800 2.167 2.135 2.433 . 0 0 "[ . 1 . 2 .]" 1 228 1 26 GLN QB 1 29 VAL MG2 4.000 . 6.000 4.054 3.947 4.259 . 0 0 "[ . 1 . 2 .]" 1 229 1 26 GLN HA 1 29 VAL MG1 3.000 . 3.800 3.537 3.430 3.673 . 0 0 "[ . 1 . 2 .]" 1 230 1 26 GLN QG 1 29 VAL MG2 4.000 . 7.000 3.742 3.327 4.206 . 0 0 "[ . 1 . 2 .]" 1 231 1 27 HIS QB 1 28 ILE HA 4.000 . 6.500 3.768 3.739 3.795 . 0 0 "[ . 1 . 2 .]" 1 232 1 27 HIS HA 1 30 GLN QB 3.000 . 3.800 3.594 3.458 3.736 . 0 0 "[ . 1 . 2 .]" 1 233 1 27 HIS HA 1 30 GLN QG 3.000 . 3.800 3.360 2.922 3.712 . 0 0 "[ . 1 . 2 .]" 1 234 1 28 ILE HA 1 28 ILE HG13 3.000 . 3.300 2.909 2.779 2.994 . 0 0 "[ . 1 . 2 .]" 1 235 1 28 ILE HA 1 28 ILE HG12 3.000 . 3.300 2.479 2.433 2.549 . 0 0 "[ . 1 . 2 .]" 1 236 1 28 ILE HA 1 28 ILE MG 2.500 . 3.200 2.358 2.309 2.453 . 0 0 "[ . 1 . 2 .]" 1 237 1 28 ILE HA 1 28 ILE MD 3.000 . 3.800 3.788 3.766 3.805 0.005 24 0 "[ . 1 . 2 .]" 1 238 1 28 ILE HB 1 28 ILE MD 3.000 . 3.800 2.274 2.162 2.407 . 0 0 "[ . 1 . 2 .]" 1 239 1 28 ILE MG 1 29 VAL HA 4.000 . 5.500 3.586 3.415 3.742 . 0 0 "[ . 1 . 2 .]" 1 240 1 28 ILE MG 1 29 VAL MG2 4.000 . 6.000 3.798 3.590 3.941 . 0 0 "[ . 1 . 2 .]" 1 241 1 28 ILE HB 1 29 VAL MG2 4.000 . 5.500 3.625 3.446 3.802 . 0 0 "[ . 1 . 2 .]" 1 242 1 28 ILE HA 1 31 ARG QB 3.000 . 3.800 2.432 2.288 2.676 . 0 0 "[ . 1 . 2 .]" 1 243 1 28 ILE HA 1 31 ARG HG3 4.000 . 5.000 2.883 2.542 3.103 . 0 0 "[ . 1 . 2 .]" 1 244 1 28 ILE HA 1 31 ARG QD 3.000 . 3.800 2.792 2.403 3.822 0.022 5 0 "[ . 1 . 2 .]" 1 245 1 28 ILE MG 1 31 ARG QD 4.000 . 6.000 3.564 3.078 4.533 . 0 0 "[ . 1 . 2 .]" 1 246 1 28 ILE MD 1 31 ARG QD 4.000 . 6.000 4.713 4.314 5.614 . 0 0 "[ . 1 . 2 .]" 1 247 1 28 ILE HA 1 32 VAL MG2 4.000 . 5.500 4.066 3.837 4.377 . 0 0 "[ . 1 . 2 .]" 1 248 1 28 ILE MG 1 68 PRO QG 3.000 . 4.300 3.949 3.607 4.312 0.012 1 0 "[ . 1 . 2 .]" 1 249 1 28 ILE MD 1 68 PRO QG 3.000 . 4.300 2.036 1.908 2.231 . 0 0 "[ . 1 . 2 .]" 1 250 1 28 ILE MG 1 68 PRO HB2 4.000 . 5.500 3.943 3.677 4.273 . 0 0 "[ . 1 . 2 .]" 1 251 1 28 ILE MG 1 68 PRO HB3 4.000 . 5.500 4.932 4.667 5.232 . 0 0 "[ . 1 . 2 .]" 1 252 1 28 ILE HB 1 68 PRO QG 4.000 . 6.500 3.693 3.356 4.166 . 0 0 "[ . 1 . 2 .]" 1 253 1 28 ILE MD 1 68 PRO QD 4.000 . 6.000 3.218 2.986 3.488 . 0 0 "[ . 1 . 2 .]" 1 254 1 28 ILE MD 1 84 ILE HA 3.000 . 3.800 2.238 2.106 2.551 . 0 0 "[ . 1 . 2 .]" 1 255 1 28 ILE MG 1 86 LEU QD 2.500 . 3.700 2.244 1.992 2.445 . 0 0 "[ . 1 . 2 .]" 1 256 1 28 ILE MD 1 86 LEU QD 3.000 . 4.300 2.285 1.941 2.763 . 0 0 "[ . 1 . 2 .]" 1 257 1 28 ILE MD 1 86 LEU HB3 4.000 . 6.500 4.778 4.293 5.368 . 0 0 "[ . 1 . 2 .]" 1 258 1 28 ILE MG 1 87 THR MG 2.500 . 3.700 2.257 1.969 2.683 . 0 0 "[ . 1 . 2 .]" 1 259 1 28 ILE MD 1 87 THR MG 3.000 . 4.300 3.785 3.286 4.119 . 0 0 "[ . 1 . 2 .]" 1 260 1 28 ILE HG13 1 87 THR MG 4.000 . 5.500 4.727 4.365 5.031 . 0 0 "[ . 1 . 2 .]" 1 261 1 28 ILE HA 1 87 THR MG 3.000 . 3.800 3.351 3.162 3.781 . 0 0 "[ . 1 . 2 .]" 1 262 1 28 ILE HG12 1 87 THR MG 3.000 . 3.800 3.337 2.941 3.717 . 0 0 "[ . 1 . 2 .]" 1 263 1 29 VAL HA 1 29 VAL MG2 2.500 . 3.200 2.240 2.201 2.292 . 0 0 "[ . 1 . 2 .]" 1 264 1 29 VAL HA 1 29 VAL MG1 2.500 . 3.200 2.417 2.347 2.460 . 0 0 "[ . 1 . 2 .]" 1 265 1 29 VAL MG1 1 30 GLN QG 3.000 . 4.300 3.647 3.210 4.184 . 0 0 "[ . 1 . 2 .]" 1 266 1 29 VAL MG1 1 30 GLN HA 3.000 . 3.800 3.277 3.173 3.493 . 0 0 "[ . 1 . 2 .]" 1 267 1 29 VAL HA 1 32 VAL HB 3.000 . 3.300 2.408 2.348 2.494 . 0 0 "[ . 1 . 2 .]" 1 268 1 29 VAL HA 1 32 VAL MG2 3.000 . 3.800 2.705 2.435 3.061 . 0 0 "[ . 1 . 2 .]" 1 269 1 29 VAL HA 1 32 VAL MG1 3.000 . 3.800 3.812 3.751 3.868 0.068 12 0 "[ . 1 . 2 .]" 1 270 1 29 VAL MG1 1 33 LYS QD 3.000 . 4.300 2.646 2.349 2.891 . 0 0 "[ . 1 . 2 .]" 1 271 1 29 VAL MG1 1 33 LYS HE2 2.500 . 3.200 2.420 1.949 3.273 0.073 23 0 "[ . 1 . 2 .]" 1 272 1 29 VAL MG1 1 33 LYS HE3 2.500 . 3.200 2.268 1.894 3.106 . 0 0 "[ . 1 . 2 .]" 1 273 1 29 VAL MG1 1 47 LEU MD1 2.500 . 3.700 2.738 2.516 2.934 . 0 0 "[ . 1 . 2 .]" 1 274 1 29 VAL MG1 1 47 LEU MD2 3.000 . 4.300 3.998 3.736 4.196 . 0 0 "[ . 1 . 2 .]" 1 275 1 29 VAL MG1 1 47 LEU HG 4.000 . 5.500 5.336 4.151 5.544 0.044 4 0 "[ . 1 . 2 .]" 1 276 1 29 VAL MG2 1 49 VAL HB 4.000 . 5.500 5.134 4.847 5.486 . 0 0 "[ . 1 . 2 .]" 1 277 1 30 GLN HA 1 30 GLN QG 2.500 . 3.200 2.843 2.171 3.112 . 0 0 "[ . 1 . 2 .]" 1 278 1 30 GLN QG 1 31 ARG HG3 4.000 . 5.500 5.091 4.856 5.299 . 0 0 "[ . 1 . 2 .]" 1 279 1 30 GLN QG 1 31 ARG HA 4.000 . 6.500 5.772 5.735 5.792 . 0 0 "[ . 1 . 2 .]" 1 280 1 30 GLN HA 1 33 LYS HB2 3.000 . 3.300 2.556 2.266 2.789 . 0 0 "[ . 1 . 2 .]" 1 281 1 30 GLN HA 1 33 LYS HB3 4.000 . 5.000 4.210 3.938 4.461 . 0 0 "[ . 1 . 2 .]" 1 282 1 30 GLN HA 1 33 LYS QD 3.000 . 3.800 3.227 2.938 3.539 . 0 0 "[ . 1 . 2 .]" 1 283 1 31 ARG QB 1 31 ARG QD 3.000 . 4.300 2.163 2.094 2.330 . 0 0 "[ . 1 . 2 .]" 1 284 1 31 ARG HA 1 31 ARG HG3 3.000 . 3.300 3.063 2.951 3.157 . 0 0 "[ . 1 . 2 .]" 1 285 1 31 ARG HA 1 31 ARG HG2 3.000 . 3.300 2.354 2.294 2.396 . 0 0 "[ . 1 . 2 .]" 1 286 1 31 ARG HA 1 31 ARG QD 3.000 . 3.800 3.887 3.843 4.075 0.275 24 0 "[ . 1 . 2 .]" 1 287 1 31 ARG HA 1 34 ASN HB2 3.000 . 3.300 2.419 2.290 2.530 . 0 0 "[ . 1 . 2 .]" 1 288 1 31 ARG HA 1 34 ASN HB3 4.000 . 5.000 3.995 3.847 4.136 . 0 0 "[ . 1 . 2 .]" 1 289 1 31 ARG QB 1 35 ILE MD 4.000 . 6.000 2.753 2.503 2.907 . 0 0 "[ . 1 . 2 .]" 1 290 1 31 ARG HG3 1 35 ILE MD 4.000 . 5.500 5.389 5.131 5.516 0.016 14 0 "[ . 1 . 2 .]" 1 291 1 31 ARG QD 1 35 ILE MD 4.000 . 6.000 4.104 3.760 4.834 . 0 0 "[ . 1 . 2 .]" 1 292 1 31 ARG QB 1 87 THR MG 2.500 . 3.700 1.953 1.854 2.059 . 0 0 "[ . 1 . 2 .]" 1 293 1 31 ARG HG3 1 87 THR MG 3.000 . 3.800 3.813 3.692 3.878 0.078 24 0 "[ . 1 . 2 .]" 1 294 1 31 ARG HG2 1 87 THR MG 3.000 . 3.800 3.816 3.725 3.929 0.129 15 0 "[ . 1 . 2 .]" 1 295 1 31 ARG QD 1 87 THR MG 3.000 . 4.300 2.103 1.911 2.445 . 0 0 "[ . 1 . 2 .]" 1 296 1 31 ARG HA 1 87 THR MG 4.000 . 5.500 4.167 3.925 4.402 . 0 0 "[ . 1 . 2 .]" 1 297 1 32 VAL HA 1 32 VAL MG1 3.000 . 3.800 2.433 2.319 2.493 . 0 0 "[ . 1 . 2 .]" 1 298 1 32 VAL HA 1 32 VAL MG2 2.500 . 3.200 2.283 2.141 2.377 . 0 0 "[ . 1 . 2 .]" 1 299 1 32 VAL MG1 1 33 LYS HA 4.000 . 5.500 3.243 3.036 3.539 . 0 0 "[ . 1 . 2 .]" 1 300 1 32 VAL HA 1 35 ILE MD 3.000 . 3.800 3.066 2.769 3.400 . 0 0 "[ . 1 . 2 .]" 1 301 1 32 VAL HA 1 35 ILE HB 3.000 . 3.300 3.122 2.986 3.297 . 0 0 "[ . 1 . 2 .]" 1 302 1 32 VAL HA 1 35 ILE MG 4.000 . 5.500 4.449 4.298 4.631 . 0 0 "[ . 1 . 2 .]" 1 303 1 32 VAL HA 1 36 LEU HG 4.000 . 5.000 3.584 3.246 3.837 . 0 0 "[ . 1 . 2 .]" 1 304 1 32 VAL MG1 1 36 LEU MD1 2.500 . 3.700 2.004 1.838 2.399 . 0 0 "[ . 1 . 2 .]" 1 305 1 32 VAL HB 1 47 LEU MD1 4.000 . 5.500 2.916 2.632 3.784 . 0 0 "[ . 1 . 2 .]" 1 306 1 32 VAL MG1 1 47 LEU MD1 2.500 . 3.700 1.983 1.832 3.167 . 0 0 "[ . 1 . 2 .]" 1 307 1 32 VAL MG1 1 47 LEU MD2 3.000 . 4.300 3.277 2.095 3.606 . 0 0 "[ . 1 . 2 .]" 1 308 1 32 VAL MG1 1 70 LEU MD1 4.000 . 6.000 2.041 1.882 2.328 . 0 0 "[ . 1 . 2 .]" 1 309 1 32 VAL MG1 1 70 LEU MD2 3.000 . 4.300 3.916 3.687 4.215 . 0 0 "[ . 1 . 2 .]" 1 310 1 32 VAL MG2 1 86 LEU QD 3.000 . 4.300 3.196 2.870 3.470 . 0 0 "[ . 1 . 2 .]" 1 311 1 32 VAL HA 1 87 THR MG 4.000 . 5.500 3.800 3.199 4.705 . 0 0 "[ . 1 . 2 .]" 1 312 1 32 VAL MG2 1 87 THR MG 2.500 . 3.700 2.875 2.407 3.415 . 0 0 "[ . 1 . 2 .]" 1 313 1 32 VAL HA 1 90 LEU MD2 3.000 . 3.800 2.653 2.306 3.930 0.130 10 0 "[ . 1 . 2 .]" 1 314 1 32 VAL MG1 1 90 LEU MD2 2.500 . 3.700 2.272 2.054 2.801 . 0 0 "[ . 1 . 2 .]" 1 315 1 32 VAL MG2 1 90 LEU HB2 4.000 . 5.500 4.083 3.375 4.427 . 0 0 "[ . 1 . 2 .]" 1 316 1 33 LYS HA 1 33 LYS QD 3.000 . 3.800 3.867 3.853 3.885 0.085 23 0 "[ . 1 . 2 .]" 1 317 1 33 LYS HE3 1 33 LYS HG3 4.000 . 5.000 3.140 2.307 3.685 . 0 0 "[ . 1 . 2 .]" 1 318 1 33 LYS HE2 1 33 LYS HG3 4.000 . 5.000 2.523 2.253 3.516 . 0 0 "[ . 1 . 2 .]" 1 319 1 33 LYS HA 1 33 LYS HG3 4.000 . 5.000 3.031 2.982 3.083 . 0 0 "[ . 1 . 2 .]" 1 320 1 33 LYS HE3 1 33 LYS HG2 4.000 . 5.000 3.563 2.579 3.807 . 0 0 "[ . 1 . 2 .]" 1 321 1 33 LYS HA 1 33 LYS HG2 3.000 . 3.300 2.350 2.318 2.386 . 0 0 "[ . 1 . 2 .]" 1 322 1 33 LYS HE2 1 33 LYS HG2 4.000 . 5.000 2.646 2.340 3.018 . 0 0 "[ . 1 . 2 .]" 1 323 1 33 LYS HA 1 36 LEU MD1 3.000 . 3.800 3.138 2.471 3.602 . 0 0 "[ . 1 . 2 .]" 1 324 1 33 LYS HA 1 36 LEU HB2 4.000 . 5.000 2.853 2.649 3.145 . 0 0 "[ . 1 . 2 .]" 1 325 1 33 LYS HA 1 36 LEU HB3 4.000 . 5.000 4.508 4.280 4.834 . 0 0 "[ . 1 . 2 .]" 1 326 1 33 LYS QD 1 47 LEU MD1 3.000 . 4.300 3.609 3.355 3.839 . 0 0 "[ . 1 . 2 .]" 1 327 1 33 LYS HE2 1 47 LEU MD1 3.000 . 3.800 2.341 2.133 3.435 . 0 0 "[ . 1 . 2 .]" 1 328 1 33 LYS HA 1 47 LEU MD1 3.000 . 3.800 3.165 2.854 3.848 0.048 23 0 "[ . 1 . 2 .]" 1 329 1 33 LYS HE3 1 47 LEU MD1 3.000 . 3.800 3.470 2.144 3.800 . 0 0 "[ . 1 . 2 .]" 1 330 1 34 ASN HB3 1 35 ILE HA 4.000 . 6.000 4.382 4.336 4.425 . 0 0 "[ . 1 . 2 .]" 1 331 1 34 ASN HB3 1 37 ALA MB 4.000 . 6.500 4.677 4.327 4.873 . 0 0 "[ . 1 . 2 .]" 1 332 1 34 ASN HA 1 37 ALA MB 2.500 . 3.200 2.733 2.349 2.986 . 0 0 "[ . 1 . 2 .]" 1 333 1 34 ASN HB2 1 37 ALA MB 4.000 . 6.500 5.197 4.830 5.442 . 0 0 "[ . 1 . 2 .]" 1 334 1 35 ILE HA 1 35 ILE HG13 3.000 . 3.300 2.837 2.761 2.893 . 0 0 "[ . 1 . 2 .]" 1 335 1 35 ILE HA 1 35 ILE HG12 3.000 . 3.300 2.547 2.492 2.595 . 0 0 "[ . 1 . 2 .]" 1 336 1 35 ILE HA 1 35 ILE MG 3.000 . 3.800 2.338 2.267 2.408 . 0 0 "[ . 1 . 2 .]" 1 337 1 35 ILE HA 1 35 ILE MD 3.000 . 3.800 3.811 3.792 3.829 0.029 17 0 "[ . 1 . 2 .]" 1 338 1 35 ILE HB 1 35 ILE MD 3.000 . 3.800 2.266 2.164 2.353 . 0 0 "[ . 1 . 2 .]" 1 339 1 35 ILE HB 1 36 LEU HG 4.000 . 5.000 3.294 3.119 3.489 . 0 0 "[ . 1 . 2 .]" 1 340 1 35 ILE MG 1 36 LEU HA 4.000 . 5.500 3.365 3.170 3.527 . 0 0 "[ . 1 . 2 .]" 1 341 1 35 ILE HA 1 38 ALA MB 3.000 . 3.800 2.240 2.093 2.423 . 0 0 "[ . 1 . 2 .]" 1 342 1 35 ILE MG 1 38 ALA MB 4.000 . 6.000 3.093 2.775 3.464 . 0 0 "[ . 1 . 2 .]" 1 343 1 35 ILE MD 1 87 THR HB 2.500 . 3.200 2.488 2.085 3.040 . 0 0 "[ . 1 . 2 .]" 1 344 1 35 ILE MD 1 87 THR HA 4.000 . 5.500 2.856 2.645 3.198 . 0 0 "[ . 1 . 2 .]" 1 345 1 35 ILE MD 1 87 THR MG 3.000 . 4.300 2.742 2.187 3.494 . 0 0 "[ . 1 . 2 .]" 1 346 1 35 ILE MD 1 90 LEU MD2 3.000 . 4.300 2.796 2.012 4.217 . 0 0 "[ . 1 . 2 .]" 1 347 1 35 ILE MG 1 90 LEU MD2 3.000 . 4.300 2.987 2.288 4.038 . 0 0 "[ . 1 . 2 .]" 1 348 1 35 ILE HB 1 90 LEU MD2 4.000 . 5.500 2.973 2.455 4.486 . 0 0 "[ . 1 . 2 .]" 1 349 1 35 ILE MG 1 90 LEU HG 3.000 . 3.800 3.471 2.938 3.813 0.013 10 0 "[ . 1 . 2 .]" 1 350 1 35 ILE MG 1 91 ALA MB 3.000 . 4.300 3.072 2.564 3.630 . 0 0 "[ . 1 . 2 .]" 1 351 1 35 ILE MD 1 91 ALA MB 3.000 . 4.300 2.944 2.581 3.520 . 0 0 "[ . 1 . 2 .]" 1 352 1 35 ILE MG 1 91 ALA HA 3.000 . 3.800 3.141 2.809 3.500 . 0 0 "[ . 1 . 2 .]" 1 353 1 35 ILE MD 1 91 ALA HA 4.000 . 5.500 4.018 3.624 4.349 . 0 0 "[ . 1 . 2 .]" 1 354 1 35 ILE MG 1 94 LEU MD2 3.000 . 4.300 2.639 2.085 3.129 . 0 0 "[ . 1 . 2 .]" 1 355 1 36 LEU HB3 1 36 LEU MD1 3.000 . 3.800 2.403 2.267 2.498 . 0 0 "[ . 1 . 2 .]" 1 356 1 36 LEU HB2 1 36 LEU MD1 3.000 . 3.800 2.307 2.198 2.445 . 0 0 "[ . 1 . 2 .]" 1 357 1 36 LEU HA 1 36 LEU HG 4.000 . 6.000 2.975 2.859 3.151 . 0 0 "[ . 1 . 2 .]" 1 358 1 36 LEU HA 1 36 LEU MD2 2.500 . 3.200 2.035 1.957 2.114 . 0 0 "[ . 1 . 2 .]" 1 359 1 36 LEU HA 1 39 VAL QG 2.500 . 3.200 2.641 2.128 3.133 . 0 0 "[ . 1 . 2 .]" 1 360 1 36 LEU MD1 1 45 ILE MG 3.000 . 4.300 2.567 2.202 2.936 . 0 0 "[ . 1 . 2 .]" 1 361 1 36 LEU MD2 1 45 ILE MD 2.500 . 3.700 2.311 2.128 2.846 . 0 0 "[ . 1 . 2 .]" 1 362 1 36 LEU HA 1 45 ILE MD 4.000 . 5.500 3.245 3.034 3.389 . 0 0 "[ . 1 . 2 .]" 1 363 1 36 LEU MD1 1 47 LEU MD2 3.000 . 4.300 4.122 2.745 4.328 0.028 5 0 "[ . 1 . 2 .]" 1 364 1 36 LEU HA 1 94 LEU MD2 3.000 . 3.800 3.018 2.619 3.562 . 0 0 "[ . 1 . 2 .]" 1 365 1 36 LEU MD2 1 94 LEU HA 4.000 . 5.500 4.557 4.167 5.038 . 0 0 "[ . 1 . 2 .]" 1 366 1 37 ALA HA 1 40 GLU QG 4.000 . 5.500 4.160 2.040 5.526 0.026 25 0 "[ . 1 . 2 .]" 1 367 1 38 ALA MB 1 39 VAL HA 4.000 . 5.500 4.037 3.834 4.312 . 0 0 "[ . 1 . 2 .]" 1 368 1 39 VAL HA 1 39 VAL QG 2.500 . 3.200 2.196 2.082 2.337 . 0 0 "[ . 1 . 2 .]" 1 369 1 39 VAL QG 1 40 GLU QG 4.000 . 6.000 4.156 3.715 4.694 . 0 0 "[ . 1 . 2 .]" 1 370 1 39 VAL QG 1 41 ALA HA 4.000 . 5.500 4.316 3.890 4.655 . 0 0 "[ . 1 . 2 .]" 1 371 1 39 VAL QG 1 41 ALA MB 2.500 . 3.700 2.463 2.135 2.704 . 0 0 "[ . 1 . 2 .]" 1 372 1 39 VAL HB 1 45 ILE MD 4.000 . 5.500 4.662 3.797 5.471 . 0 0 "[ . 1 . 2 .]" 1 373 1 39 VAL QG 1 45 ILE MD 2.500 . 3.700 2.383 1.936 2.911 . 0 0 "[ . 1 . 2 .]" 1 374 1 39 VAL QG 1 94 LEU MD2 2.500 . 3.700 2.218 1.913 2.526 . 0 0 "[ . 1 . 2 .]" 1 375 1 39 VAL QG 1 94 LEU HG 4.000 . 5.500 3.477 2.953 3.976 . 0 0 "[ . 1 . 2 .]" 1 376 1 39 VAL HB 1 98 LEU MD1 4.000 . 5.500 4.278 3.587 4.963 . 0 0 "[ . 1 . 2 .]" 1 377 1 39 VAL QG 1 98 LEU MD1 2.500 . 3.700 2.201 1.935 2.865 . 0 0 "[ . 1 . 2 .]" 1 378 1 40 GLU HA 1 40 GLU QG 2.500 . 3.200 2.479 2.193 3.013 . 0 0 "[ . 1 . 2 .]" 1 379 1 40 GLU QB 1 41 ALA MB 4.000 . 6.000 3.862 3.657 4.059 . 0 0 "[ . 1 . 2 .]" 1 380 1 40 GLU HA 1 41 ALA MB 4.000 . 5.500 4.161 4.021 4.403 . 0 0 "[ . 1 . 2 .]" 1 381 1 40 GLU HA 1 45 ILE MD 4.000 . 5.500 4.285 2.752 5.456 . 0 0 "[ . 1 . 2 .]" 1 382 1 41 ALA MB 1 42 THR HA 4.000 . 6.500 4.268 4.139 5.068 . 0 0 "[ . 1 . 2 .]" 1 383 1 41 ALA MB 1 45 ILE MD 3.000 . 4.300 4.026 3.621 4.328 0.028 6 0 "[ . 1 . 2 .]" 1 384 1 41 ALA MB 1 98 LEU MD1 3.000 . 4.300 3.501 2.773 4.154 . 0 0 "[ . 1 . 2 .]" 1 385 1 41 ALA MB 1 98 LEU MD2 3.000 . 4.300 3.485 2.868 4.066 . 0 0 "[ . 1 . 2 .]" 1 386 1 42 THR HA 1 42 THR MG 2.500 . 3.200 2.349 2.185 2.526 . 0 0 "[ . 1 . 2 .]" 1 387 1 42 THR HB 1 43 VAL MG2 4.000 . 5.500 4.664 4.432 4.948 . 0 0 "[ . 1 . 2 .]" 1 388 1 43 VAL HA 1 43 VAL MG1 2.500 . 3.200 2.205 2.113 2.267 . 0 0 "[ . 1 . 2 .]" 1 389 1 43 VAL HA 1 43 VAL MG2 3.000 . 3.800 3.155 3.146 3.164 . 0 0 "[ . 1 . 2 .]" 1 390 1 43 VAL HA 1 44 PRO HD2 3.000 . 3.300 2.195 2.114 2.395 . 0 0 "[ . 1 . 2 .]" 1 391 1 43 VAL MG2 1 44 PRO HD2 4.000 . 6.500 4.684 4.523 4.867 . 0 0 "[ . 1 . 2 .]" 1 392 1 43 VAL HA 1 44 PRO QG 4.000 . 5.500 3.992 3.923 4.029 . 0 0 "[ . 1 . 2 .]" 1 393 1 43 VAL HA 1 44 PRO HD3 3.000 . 3.300 2.641 2.209 3.129 . 0 0 "[ . 1 . 2 .]" 1 394 1 43 VAL MG2 1 98 LEU HA 4.000 . 5.500 4.914 4.210 5.463 . 0 0 "[ . 1 . 2 .]" 1 395 1 45 ILE HA 1 45 ILE HG13 4.000 . 5.000 2.428 2.335 2.527 . 0 0 "[ . 1 . 2 .]" 1 396 1 45 ILE HA 1 45 ILE HG12 4.000 . 5.000 3.461 3.167 3.571 . 0 0 "[ . 1 . 2 .]" 1 397 1 45 ILE HB 1 45 ILE MD 3.000 . 3.800 2.135 2.088 2.200 . 0 0 "[ . 1 . 2 .]" 1 398 1 45 ILE HA 1 45 ILE MG 3.000 . 3.800 2.205 2.144 2.280 . 0 0 "[ . 1 . 2 .]" 1 399 1 45 ILE HA 1 45 ILE MD 4.000 . 5.500 3.503 3.371 3.786 . 0 0 "[ . 1 . 2 .]" 1 400 1 45 ILE MG 1 47 LEU MD2 4.000 . 6.000 4.789 4.135 4.982 . 0 0 "[ . 1 . 2 .]" 1 401 1 45 ILE MG 1 72 LYS HG3 4.000 . 5.500 4.604 4.330 4.881 . 0 0 "[ . 1 . 2 .]" 1 402 1 45 ILE MD 1 94 LEU MD2 3.000 . 4.300 3.862 3.353 4.306 0.006 18 0 "[ . 1 . 2 .]" 1 403 1 47 LEU HA 1 47 LEU MD1 3.000 . 3.800 3.733 3.401 3.796 . 0 0 "[ . 1 . 2 .]" 1 404 1 47 LEU HA 1 47 LEU MD2 3.000 . 3.800 2.112 1.904 2.279 . 0 0 "[ . 1 . 2 .]" 1 405 1 47 LEU HA 1 47 LEU HG 4.000 . 5.000 2.565 2.365 3.505 . 0 0 "[ . 1 . 2 .]" 1 406 1 47 LEU HB3 1 47 LEU MD1 3.000 . 3.800 2.226 2.137 2.295 . 0 0 "[ . 1 . 2 .]" 1 407 1 47 LEU HB3 1 47 LEU MD2 3.000 . 3.800 2.484 2.309 3.144 . 0 0 "[ . 1 . 2 .]" 1 408 1 47 LEU MD1 1 49 VAL HA 4.000 . 6.500 5.345 4.448 5.673 . 0 0 "[ . 1 . 2 .]" 1 409 1 47 LEU MD2 1 49 VAL HA 4.000 . 6.500 3.612 3.454 4.228 . 0 0 "[ . 1 . 2 .]" 1 410 1 47 LEU MD2 1 70 LEU MD1 3.000 . 4.300 3.676 3.234 3.974 . 0 0 "[ . 1 . 2 .]" 1 411 1 47 LEU MD2 1 70 LEU MD2 3.000 . 4.300 4.354 4.243 4.399 0.099 14 0 "[ . 1 . 2 .]" 1 412 1 48 GLN HA 1 48 GLN QG 3.000 . 3.800 2.232 2.128 2.568 . 0 0 "[ . 1 . 2 .]" 1 413 1 48 GLN HB2 1 50 ILE MD 4.000 . 5.500 5.124 4.702 5.529 0.029 16 0 "[ . 1 . 2 .]" 1 414 1 49 VAL HA 1 49 VAL QG 2.500 . 3.200 2.046 1.993 2.109 . 0 0 "[ . 1 . 2 .]" 1 415 1 49 VAL HB 1 51 ASN HA 4.000 . 6.000 6.094 6.068 6.126 0.126 5 0 "[ . 1 . 2 .]" 1 416 1 49 VAL QG 1 51 ASN HA 3.000 . 3.800 3.858 3.802 3.929 0.129 15 0 "[ . 1 . 2 .]" 1 417 1 50 ILE HA 1 50 ILE HG13 3.000 . 3.300 3.229 3.154 3.303 0.003 10 0 "[ . 1 . 2 .]" 1 418 1 50 ILE HA 1 50 ILE HG12 3.000 . 3.300 2.526 2.453 2.634 . 0 0 "[ . 1 . 2 .]" 1 419 1 50 ILE HB 1 50 ILE MD 3.000 . 3.800 2.408 2.307 2.494 . 0 0 "[ . 1 . 2 .]" 1 420 1 50 ILE HA 1 50 ILE MG 2.500 . 3.200 2.262 2.108 2.363 . 0 0 "[ . 1 . 2 .]" 1 421 1 50 ILE HA 1 50 ILE MD 3.000 . 3.800 3.775 3.701 3.847 0.047 20 0 "[ . 1 . 2 .]" 1 422 1 50 ILE MG 1 52 VAL HA 4.000 . 5.500 3.781 3.584 4.062 . 0 0 "[ . 1 . 2 .]" 1 423 1 50 ILE MG 1 55 GLN HB2 4.000 . 5.500 4.307 3.662 5.096 . 0 0 "[ . 1 . 2 .]" 1 424 1 50 ILE MG 1 55 GLN HB3 4.000 . 5.500 4.214 3.853 4.906 . 0 0 "[ . 1 . 2 .]" 1 425 1 50 ILE MG 1 55 GLN QG 3.000 . 4.300 2.348 1.849 2.952 . 0 0 "[ . 1 . 2 .]" 1 426 1 50 ILE MD 1 58 LEU MD2 3.000 . 4.300 2.594 1.982 4.225 . 0 0 "[ . 1 . 2 .]" 1 427 1 50 ILE MD 1 58 LEU MD1 3.000 . 4.300 3.132 2.018 3.702 . 0 0 "[ . 1 . 2 .]" 1 428 1 50 ILE MG 1 58 LEU MD1 4.000 . 6.000 2.885 1.925 4.229 . 0 0 "[ . 1 . 2 .]" 1 429 1 50 ILE MG 1 58 LEU HB2 4.000 . 6.500 5.065 4.322 5.994 . 0 0 "[ . 1 . 2 .]" 1 430 1 50 ILE MD 1 71 VAL HB 4.000 . 5.500 5.041 4.134 5.528 0.028 20 0 "[ . 1 . 2 .]" 1 431 1 51 ASN HB3 1 53 ALA MB 4.000 . 5.500 3.403 2.699 4.655 . 0 0 "[ . 1 . 2 .]" 1 432 1 52 VAL HA 1 52 VAL MG2 3.000 . 3.800 3.181 3.170 3.192 . 0 0 "[ . 1 . 2 .]" 1 433 1 52 VAL HA 1 52 VAL MG1 2.500 . 3.200 2.360 2.161 2.453 . 0 0 "[ . 1 . 2 .]" 1 434 1 52 VAL MG1 1 53 ALA HA 4.000 . 5.500 5.436 5.379 5.476 . 0 0 "[ . 1 . 2 .]" 1 435 1 52 VAL MG2 1 53 ALA HA 4.000 . 5.500 3.355 3.019 3.609 . 0 0 "[ . 1 . 2 .]" 1 436 1 52 VAL HA 1 59 VAL MG2 2.500 . 3.200 2.564 2.244 2.894 . 0 0 "[ . 1 . 2 .]" 1 437 1 52 VAL MG1 1 64 LEU MD1 4.000 . 6.000 3.509 2.833 3.912 . 0 0 "[ . 1 . 2 .]" 1 438 1 52 VAL MG1 1 67 THR HB 4.000 . 5.500 3.876 3.570 4.227 . 0 0 "[ . 1 . 2 .]" 1 439 1 52 VAL MG1 1 68 PRO HA 4.000 . 6.500 4.718 4.398 4.986 . 0 0 "[ . 1 . 2 .]" 1 440 1 53 ALA MB 1 54 ASP HA 4.000 . 5.500 3.902 3.821 3.995 . 0 0 "[ . 1 . 2 .]" 1 441 1 54 ASP HA 1 55 GLN HA 4.000 . 5.000 4.522 4.499 4.548 . 0 0 "[ . 1 . 2 .]" 1 442 1 54 ASP QB 1 55 GLN QG 4.000 . 6.000 3.558 2.560 3.996 . 0 0 "[ . 1 . 2 .]" 1 443 1 55 GLN HA 1 55 GLN QG 3.000 . 3.800 3.360 3.284 3.581 . 0 0 "[ . 1 . 2 .]" 1 444 1 55 GLN HA 1 56 PRO HD3 3.000 . 3.300 2.349 2.168 2.616 . 0 0 "[ . 1 . 2 .]" 1 445 1 55 GLN HA 1 56 PRO HD2 3.000 . 3.300 2.515 2.361 2.658 . 0 0 "[ . 1 . 2 .]" 1 446 1 55 GLN HA 1 57 GLN HB3 4.000 . 5.000 4.335 3.997 4.774 . 0 0 "[ . 1 . 2 .]" 1 447 1 55 GLN QG 1 58 LEU MD1 3.000 . 4.300 2.820 2.058 3.944 . 0 0 "[ . 1 . 2 .]" 1 448 1 56 PRO HA 1 59 VAL HB 3.000 . 3.300 2.691 2.427 2.910 . 0 0 "[ . 1 . 2 .]" 1 449 1 56 PRO HA 1 59 VAL MG2 3.000 . 3.800 2.112 2.009 2.291 . 0 0 "[ . 1 . 2 .]" 1 450 1 56 PRO HA 1 59 VAL MG1 4.000 . 5.500 3.749 3.529 3.905 . 0 0 "[ . 1 . 2 .]" 1 451 1 57 GLN HA 1 57 GLN HG3 3.000 . 3.300 2.550 2.426 2.652 . 0 0 "[ . 1 . 2 .]" 1 452 1 57 GLN HA 1 57 GLN HG2 3.000 . 3.300 3.104 2.855 3.315 0.015 15 0 "[ . 1 . 2 .]" 1 453 1 57 GLN HG2 1 58 LEU MD1 4.000 . 5.500 5.412 4.951 5.687 0.187 25 0 "[ . 1 . 2 .]" 1 454 1 57 GLN HA 1 60 GLU QB 3.000 . 3.800 3.403 3.164 3.735 . 0 0 "[ . 1 . 2 .]" 1 455 1 58 LEU HB3 1 58 LEU MD2 3.000 . 3.800 2.236 2.074 2.444 . 0 0 "[ . 1 . 2 .]" 1 456 1 58 LEU HA 1 58 LEU MD2 4.000 . 5.500 4.052 3.689 4.132 . 0 0 "[ . 1 . 2 .]" 1 457 1 58 LEU HB3 1 58 LEU MD1 3.000 . 3.800 3.126 2.868 3.183 . 0 0 "[ . 1 . 2 .]" 1 458 1 58 LEU HB2 1 58 LEU MD1 3.000 . 3.800 2.198 2.052 2.332 . 0 0 "[ . 1 . 2 .]" 1 459 1 58 LEU HA 1 58 LEU HG 4.000 . 5.000 3.572 3.480 3.688 . 0 0 "[ . 1 . 2 .]" 1 460 1 58 LEU HA 1 58 LEU MD1 3.000 . 3.800 3.357 3.065 3.921 0.121 6 0 "[ . 1 . 2 .]" 1 461 1 58 LEU HG 1 59 VAL MG2 4.000 . 5.500 3.286 2.259 4.274 . 0 0 "[ . 1 . 2 .]" 1 462 1 58 LEU MD1 1 61 TYR QD 4.000 . 5.500 5.052 3.793 5.676 0.176 9 0 "[ . 1 . 2 .]" 1 463 1 58 LEU MD1 1 61 TYR HB3 4.000 . 5.500 4.175 3.238 4.684 . 0 0 "[ . 1 . 2 .]" 1 464 1 58 LEU MD1 1 61 TYR HB2 4.000 . 5.500 5.100 4.352 5.543 0.043 19 0 "[ . 1 . 2 .]" 1 465 1 58 LEU HA 1 61 TYR HB2 4.000 . 5.000 2.516 2.188 2.758 . 0 0 "[ . 1 . 2 .]" 1 466 1 58 LEU HA 1 61 TYR HB3 4.000 . 5.000 2.399 2.154 2.805 . 0 0 "[ . 1 . 2 .]" 1 467 1 58 LEU MD2 1 62 TYR QE 4.000 . 5.500 3.518 2.870 4.659 . 0 0 "[ . 1 . 2 .]" 1 468 1 58 LEU MD1 1 62 TYR QE 3.000 . 3.800 2.880 2.056 3.810 0.010 21 0 "[ . 1 . 2 .]" 1 469 1 58 LEU HG 1 62 TYR QE 4.000 . 5.000 4.955 4.739 5.053 0.053 23 0 "[ . 1 . 2 .]" 1 470 1 59 VAL HA 1 59 VAL MG2 3.000 . 3.800 2.371 2.220 2.502 . 0 0 "[ . 1 . 2 .]" 1 471 1 59 VAL HA 1 59 VAL MG1 3.000 . 3.800 2.359 2.232 2.498 . 0 0 "[ . 1 . 2 .]" 1 472 1 59 VAL MG1 1 60 GLU HA 3.000 . 3.800 3.584 3.172 3.801 0.001 8 0 "[ . 1 . 2 .]" 1 473 1 59 VAL MG1 1 60 GLU HG3 4.000 . 5.500 3.904 3.133 5.174 . 0 0 "[ . 1 . 2 .]" 1 474 1 59 VAL MG1 1 60 GLU HG2 4.000 . 5.500 4.149 3.572 4.505 . 0 0 "[ . 1 . 2 .]" 1 475 1 59 VAL MG1 1 62 TYR HB3 4.000 . 5.500 5.535 5.370 5.605 0.105 20 0 "[ . 1 . 2 .]" 1 476 1 59 VAL HA 1 64 LEU MD2 4.000 . 5.500 5.003 4.749 5.215 . 0 0 "[ . 1 . 2 .]" 1 477 1 59 VAL HA 1 64 LEU HG 4.000 . 6.000 3.976 3.674 4.172 . 0 0 "[ . 1 . 2 .]" 1 478 1 59 VAL HA 1 64 LEU MD1 3.000 . 3.800 3.922 3.831 3.971 0.171 12 0 "[ . 1 . 2 .]" 1 479 1 59 VAL HA 1 64 LEU HB3 4.000 . 6.000 2.558 2.277 2.792 . 0 0 "[ . 1 . 2 .]" 1 480 1 59 VAL MG1 1 64 LEU MD1 2.500 . 3.700 1.940 1.850 2.085 . 0 0 "[ . 1 . 2 .]" 1 481 1 59 VAL MG2 1 64 LEU MD1 3.000 . 4.300 3.646 3.115 3.864 . 0 0 "[ . 1 . 2 .]" 1 482 1 59 VAL MG2 1 64 LEU HB3 4.000 . 5.500 3.785 3.267 4.059 . 0 0 "[ . 1 . 2 .]" 1 483 1 59 VAL HB 1 64 LEU MD2 4.000 . 6.500 6.548 6.403 6.729 0.229 16 0 "[ . 1 . 2 .]" 1 484 1 59 VAL MG1 1 64 LEU HB3 3.000 . 3.800 1.991 1.934 2.074 . 0 0 "[ . 1 . 2 .]" 1 485 1 59 VAL MG1 1 64 LEU HA 4.000 . 5.500 4.012 3.904 4.063 . 0 0 "[ . 1 . 2 .]" 1 486 1 59 VAL MG1 1 65 VAL HA 2.500 . 3.200 3.033 2.684 3.203 0.003 18 0 "[ . 1 . 2 .]" 1 487 1 59 VAL MG1 1 67 THR MG 2.500 . 3.700 3.393 3.169 3.572 . 0 0 "[ . 1 . 2 .]" 1 488 1 60 GLU HA 1 60 GLU HG3 3.000 . 3.300 3.034 2.931 3.574 0.274 7 0 "[ . 1 . 2 .]" 1 489 1 60 GLU HA 1 60 GLU HG2 3.000 . 3.300 2.427 2.381 2.833 . 0 0 "[ . 1 . 2 .]" 1 490 1 60 GLU HA 1 63 ARG HA 3.000 . 3.300 3.335 3.020 3.431 0.131 15 0 "[ . 1 . 2 .]" 1 491 1 60 GLU QB 1 65 VAL MG2 4.000 . 7.000 4.798 4.215 5.439 . 0 0 "[ . 1 . 2 .]" 1 492 1 60 GLU HG3 1 65 VAL MG1 4.000 . 5.500 5.302 4.853 5.547 0.047 13 0 "[ . 1 . 2 .]" 1 493 1 60 GLU HG2 1 65 VAL MG2 4.000 . 5.500 3.945 3.052 5.439 . 0 0 "[ . 1 . 2 .]" 1 494 1 61 TYR HA 1 61 TYR QD 3.000 . 3.300 2.684 2.415 2.913 . 0 0 "[ . 1 . 2 .]" 1 495 1 61 TYR HA 1 61 TYR QE 4.000 . 5.000 4.525 4.443 4.611 . 0 0 "[ . 1 . 2 .]" 1 496 1 61 TYR QD 1 62 TYR HA 4.000 . 6.000 3.516 3.256 3.847 . 0 0 "[ . 1 . 2 .]" 1 497 1 61 TYR HB3 1 62 TYR HA 4.000 . 5.000 4.368 4.262 4.447 . 0 0 "[ . 1 . 2 .]" 1 498 1 62 TYR HA 1 62 TYR QD 3.000 . 3.300 2.252 2.127 2.448 . 0 0 "[ . 1 . 2 .]" 1 499 1 62 TYR HA 1 62 TYR QE 4.000 . 5.000 4.331 4.279 4.407 . 0 0 "[ . 1 . 2 .]" 1 500 1 62 TYR QD 1 64 LEU MD1 4.000 . 5.500 5.481 5.364 5.581 0.081 21 0 "[ . 1 . 2 .]" 1 501 1 62 TYR QD 1 64 LEU MD2 4.000 . 5.500 4.967 4.735 5.080 . 0 0 "[ . 1 . 2 .]" 1 502 1 62 TYR HB3 1 64 LEU MD1 4.000 . 6.500 5.450 5.309 5.566 . 0 0 "[ . 1 . 2 .]" 1 503 1 62 TYR HB2 1 64 LEU MD1 4.000 . 6.500 4.783 4.718 4.891 . 0 0 "[ . 1 . 2 .]" 1 504 1 62 TYR HB2 1 64 LEU MD2 4.000 . 5.500 3.954 3.796 4.067 . 0 0 "[ . 1 . 2 .]" 1 505 1 62 TYR HB3 1 64 LEU MD2 3.000 . 3.800 3.731 3.403 3.833 0.033 22 0 "[ . 1 . 2 .]" 1 506 1 62 TYR HB3 1 64 LEU HG 4.000 . 5.000 4.704 4.479 4.827 . 0 0 "[ . 1 . 2 .]" 1 507 1 62 TYR HB2 1 64 LEU HG 4.000 . 5.000 4.099 4.012 4.160 . 0 0 "[ . 1 . 2 .]" 1 508 1 62 TYR QE 1 64 LEU MD2 4.000 . 6.500 6.526 6.303 6.604 0.104 10 0 "[ . 1 . 2 .]" 1 509 1 62 TYR QD 1 71 VAL MG2 4.000 . 5.500 4.175 3.823 4.495 . 0 0 "[ . 1 . 2 .]" 1 510 1 62 TYR QE 1 71 VAL MG2 4.000 . 5.500 4.975 4.389 5.366 . 0 0 "[ . 1 . 2 .]" 1 511 1 62 TYR QE 1 71 VAL MG1 4.000 . 5.500 4.099 3.556 4.513 . 0 0 "[ . 1 . 2 .]" 1 512 1 62 TYR QE 1 73 ILE MG 4.000 . 6.500 3.881 3.063 4.466 . 0 0 "[ . 1 . 2 .]" 1 513 1 62 TYR QE 1 73 ILE MD 4.000 . 5.500 5.268 4.631 5.568 0.068 25 0 "[ . 1 . 2 .]" 1 514 1 62 TYR QD 1 78 ARG HD3 4.000 . 6.000 4.507 3.050 5.844 . 0 0 "[ . 1 . 2 .]" 1 515 1 62 TYR QD 1 78 ARG HD2 4.000 . 6.000 3.718 2.705 5.496 . 0 0 "[ . 1 . 2 .]" 1 516 1 62 TYR QE 1 78 ARG HD2 4.000 . 5.000 3.251 2.284 4.906 . 0 0 "[ . 1 . 2 .]" 1 517 1 63 ARG HA 1 63 ARG QG 2.500 . 3.200 2.431 2.166 2.940 . 0 0 "[ . 1 . 2 .]" 1 518 1 63 ARG HB2 1 63 ARG QD 3.000 . 3.800 2.881 2.147 3.552 . 0 0 "[ . 1 . 2 .]" 1 519 1 63 ARG HB3 1 63 ARG QD 3.000 . 3.800 2.525 2.250 3.385 . 0 0 "[ . 1 . 2 .]" 1 520 1 63 ARG HA 1 63 ARG QD 3.000 . 3.800 3.363 2.099 4.005 0.205 25 0 "[ . 1 . 2 .]" 1 521 1 64 LEU HB2 1 64 LEU MD1 3.000 . 3.800 3.181 3.163 3.204 . 0 0 "[ . 1 . 2 .]" 1 522 1 64 LEU HB3 1 64 LEU MD1 3.000 . 3.800 2.265 2.185 2.472 . 0 0 "[ . 1 . 2 .]" 1 523 1 64 LEU HA 1 64 LEU MD1 4.000 . 5.500 2.636 2.352 2.792 . 0 0 "[ . 1 . 2 .]" 1 524 1 64 LEU HA 1 64 LEU MD2 2.500 . 3.200 1.994 1.926 2.254 . 0 0 "[ . 1 . 2 .]" 1 525 1 64 LEU HB3 1 64 LEU MD2 3.000 . 3.800 3.177 3.151 3.189 . 0 0 "[ . 1 . 2 .]" 1 526 1 64 LEU HB2 1 64 LEU MD2 3.000 . 3.800 2.280 2.128 2.338 . 0 0 "[ . 1 . 2 .]" 1 527 1 64 LEU HA 1 64 LEU HG 4.000 . 5.000 3.636 3.602 3.710 . 0 0 "[ . 1 . 2 .]" 1 528 1 64 LEU HA 1 65 VAL MG2 4.000 . 5.500 3.428 3.037 4.079 . 0 0 "[ . 1 . 2 .]" 1 529 1 64 LEU MD1 1 67 THR MG 3.000 . 4.300 2.483 2.132 2.704 . 0 0 "[ . 1 . 2 .]" 1 530 1 64 LEU MD2 1 67 THR MG 3.000 . 4.300 4.327 3.929 4.425 0.125 10 0 "[ . 1 . 2 .]" 1 531 1 64 LEU MD1 1 69 ALA MB 3.000 . 4.300 2.388 1.963 2.590 . 0 0 "[ . 1 . 2 .]" 1 532 1 64 LEU MD2 1 69 ALA MB 2.500 . 3.700 2.087 1.832 2.303 . 0 0 "[ . 1 . 2 .]" 1 533 1 64 LEU HA 1 69 ALA MB 4.000 . 6.500 4.719 4.075 4.993 . 0 0 "[ . 1 . 2 .]" 1 534 1 64 LEU MD1 1 71 VAL MG2 3.000 . 4.300 4.394 4.319 4.459 0.159 8 0 "[ . 1 . 2 .]" 1 535 1 64 LEU MD2 1 80 VAL QG 2.500 . 3.700 2.149 1.896 2.464 . 0 0 "[ . 1 . 2 .]" 1 536 1 64 LEU HA 1 80 VAL QG 4.000 . 5.500 3.886 3.376 4.348 . 0 0 "[ . 1 . 2 .]" 1 537 1 64 LEU MD2 1 80 VAL HB 4.000 . 5.500 4.452 4.134 5.011 . 0 0 "[ . 1 . 2 .]" 1 538 1 65 VAL HA 1 65 VAL MG2 2.500 . 3.200 2.519 2.235 2.749 . 0 0 "[ . 1 . 2 .]" 1 539 1 65 VAL HB 1 66 VAL QG 2.500 . 3.200 2.982 2.732 3.159 . 0 0 "[ . 1 . 2 .]" 1 540 1 66 VAL HA 1 66 VAL QG 2.500 . 3.200 2.193 2.126 2.294 . 0 0 "[ . 1 . 2 .]" 1 541 1 66 VAL HA 1 67 THR MG 4.000 . 5.500 3.800 3.620 4.035 . 0 0 "[ . 1 . 2 .]" 1 542 1 66 VAL QG 1 67 THR HA 3.000 . 3.800 3.833 3.781 3.887 0.087 8 0 "[ . 1 . 2 .]" 1 543 1 66 VAL QG 1 69 ALA MB 4.000 . 6.000 2.626 2.378 2.839 . 0 0 "[ . 1 . 2 .]" 1 544 1 66 VAL QG 1 82 SER HB3 3.000 . 3.800 2.416 2.217 2.604 . 0 0 "[ . 1 . 2 .]" 1 545 1 66 VAL HB 1 82 SER HB3 4.000 . 5.000 4.604 4.238 4.834 . 0 0 "[ . 1 . 2 .]" 1 546 1 66 VAL HB 1 82 SER HB2 4.000 . 5.000 5.008 4.769 5.069 0.069 3 0 "[ . 1 . 2 .]" 1 547 1 66 VAL QG 1 82 SER HB2 3.000 . 3.800 2.825 2.712 2.978 . 0 0 "[ . 1 . 2 .]" 1 548 1 66 VAL QG 1 82 SER HA 4.000 . 5.500 4.087 3.995 4.219 . 0 0 "[ . 1 . 2 .]" 1 549 1 66 VAL QG 1 83 GLY HA3 4.000 . 5.500 4.135 3.955 4.293 . 0 0 "[ . 1 . 2 .]" 1 550 1 66 VAL QG 1 83 GLY HA2 3.000 . 3.800 3.876 3.785 3.941 0.141 22 0 "[ . 1 . 2 .]" 1 551 1 67 THR HA 1 67 THR MG 2.500 . 3.200 2.243 2.140 2.346 . 0 0 "[ . 1 . 2 .]" 1 552 1 67 THR HB 1 68 PRO HA 2.500 . 2.700 2.230 2.178 2.315 . 0 0 "[ . 1 . 2 .]" 1 553 1 67 THR HB 1 68 PRO HB2 4.000 . 5.000 4.993 4.957 5.053 0.053 23 0 "[ . 1 . 2 .]" 1 554 1 67 THR HB 1 68 PRO QG 4.000 . 5.500 4.352 4.252 4.475 . 0 0 "[ . 1 . 2 .]" 1 555 1 67 THR HB 1 68 PRO HB3 4.000 . 5.000 4.040 3.976 4.103 . 0 0 "[ . 1 . 2 .]" 1 556 1 67 THR MG 1 68 PRO HA 3.000 . 3.800 2.988 2.797 3.181 . 0 0 "[ . 1 . 2 .]" 1 557 1 67 THR MG 1 68 PRO HB3 4.000 . 5.500 4.776 4.599 4.963 . 0 0 "[ . 1 . 2 .]" 1 558 1 67 THR HA 1 68 PRO HA 3.000 . 3.300 2.281 2.207 2.351 . 0 0 "[ . 1 . 2 .]" 1 559 1 67 THR HA 1 68 PRO HB3 4.000 . 5.000 4.439 4.379 4.489 . 0 0 "[ . 1 . 2 .]" 1 560 1 67 THR HA 1 68 PRO HB2 4.000 . 5.000 4.454 4.422 4.472 . 0 0 "[ . 1 . 2 .]" 1 561 1 67 THR HB 1 69 ALA MB 4.000 . 5.500 4.711 4.517 4.956 . 0 0 "[ . 1 . 2 .]" 1 562 1 67 THR MG 1 69 ALA MB 3.000 . 4.300 3.117 2.799 3.356 . 0 0 "[ . 1 . 2 .]" 1 563 1 67 THR HA 1 69 ALA MB 3.000 . 3.800 2.885 2.791 3.012 . 0 0 "[ . 1 . 2 .]" 1 564 1 68 PRO HA 1 69 ALA MB 4.000 . 6.500 3.860 3.834 3.875 . 0 0 "[ . 1 . 2 .]" 1 565 1 68 PRO QG 1 84 ILE HA 4.000 . 5.500 3.870 3.518 4.367 . 0 0 "[ . 1 . 2 .]" 1 566 1 68 PRO QD 1 84 ILE HA 4.000 . 5.500 3.638 3.187 4.208 . 0 0 "[ . 1 . 2 .]" 1 567 1 68 PRO QD 1 84 ILE MG 4.000 . 6.000 2.452 2.082 3.014 . 0 0 "[ . 1 . 2 .]" 1 568 1 68 PRO QD 1 86 LEU QD 4.000 . 7.000 3.530 2.878 4.267 . 0 0 "[ . 1 . 2 .]" 1 569 1 68 PRO HB3 1 86 LEU QD 4.000 . 5.500 3.708 3.418 3.937 . 0 0 "[ . 1 . 2 .]" 1 570 1 68 PRO QG 1 86 LEU QD 3.000 . 4.300 3.183 2.718 3.504 . 0 0 "[ . 1 . 2 .]" 1 571 1 68 PRO HB2 1 86 LEU MD1 3.000 . 3.800 2.727 2.174 3.404 . 0 0 "[ . 1 . 2 .]" 1 572 1 69 ALA MB 1 80 VAL QG 2.500 . 3.700 3.145 2.858 3.398 . 0 0 "[ . 1 . 2 .]" 1 573 1 69 ALA MB 1 80 VAL HB 4.000 . 6.500 5.854 5.495 6.183 . 0 0 "[ . 1 . 2 .]" 1 574 1 69 ALA HA 1 82 SER HA 2.500 . 2.700 2.194 2.150 2.316 . 0 0 "[ . 1 . 2 .]" 1 575 1 69 ALA HA 1 82 SER HB2 3.000 . 3.300 2.774 2.420 3.134 . 0 0 "[ . 1 . 2 .]" 1 576 1 69 ALA HA 1 82 SER HB3 4.000 . 5.000 4.251 3.973 4.518 . 0 0 "[ . 1 . 2 .]" 1 577 1 69 ALA MB 1 82 SER HB3 3.000 . 3.800 3.317 3.178 3.445 . 0 0 "[ . 1 . 2 .]" 1 578 1 69 ALA MB 1 82 SER HB2 3.000 . 3.800 1.963 1.932 2.047 . 0 0 "[ . 1 . 2 .]" 1 579 1 69 ALA MB 1 82 SER HA 3.000 . 3.800 3.152 2.834 3.386 . 0 0 "[ . 1 . 2 .]" 1 580 1 69 ALA HA 1 86 LEU QD 3.000 . 3.800 2.085 1.932 2.277 . 0 0 "[ . 1 . 2 .]" 1 581 1 70 LEU HA 1 70 LEU HG 4.000 . 5.000 2.240 2.178 2.336 . 0 0 "[ . 1 . 2 .]" 1 582 1 70 LEU HA 1 70 LEU MD2 3.000 . 3.800 2.881 2.767 3.115 . 0 0 "[ . 1 . 2 .]" 1 583 1 70 LEU HA 1 70 LEU MD1 4.000 . 5.500 3.635 3.521 3.713 . 0 0 "[ . 1 . 2 .]" 1 584 1 70 LEU HB2 1 70 LEU MD1 3.000 . 3.800 2.178 2.114 2.291 . 0 0 "[ . 1 . 2 .]" 1 585 1 70 LEU HB3 1 70 LEU MD1 3.000 . 3.800 2.468 2.381 2.556 . 0 0 "[ . 1 . 2 .]" 1 586 1 70 LEU HB3 1 70 LEU MD2 3.000 . 3.800 2.124 2.052 2.188 . 0 0 "[ . 1 . 2 .]" 1 587 1 70 LEU HB2 1 70 LEU MD2 3.000 . 3.800 3.164 3.134 3.177 . 0 0 "[ . 1 . 2 .]" 1 588 1 70 LEU HA 1 86 LEU QD 4.000 . 5.500 3.420 3.304 3.528 . 0 0 "[ . 1 . 2 .]" 1 589 1 70 LEU MD1 1 86 LEU QD 3.000 . 4.300 3.046 2.682 3.459 . 0 0 "[ . 1 . 2 .]" 1 590 1 70 LEU HB3 1 86 LEU QD 3.000 . 3.800 2.707 2.143 3.163 . 0 0 "[ . 1 . 2 .]" 1 591 1 70 LEU MD1 1 97 TRP HZ3 4.000 . 5.500 4.647 4.055 5.494 . 0 0 "[ . 1 . 2 .]" 1 592 1 70 LEU MD1 1 97 TRP HH2 4.000 . 5.500 3.840 3.217 4.611 . 0 0 "[ . 1 . 2 .]" 1 593 1 71 VAL HA 1 71 VAL MG2 3.000 . 3.800 2.348 2.263 2.448 . 0 0 "[ . 1 . 2 .]" 1 594 1 71 VAL HA 1 71 VAL MG1 3.000 . 3.800 2.298 2.198 2.395 . 0 0 "[ . 1 . 2 .]" 1 595 1 71 VAL MG1 1 73 ILE HA 4.000 . 5.500 3.871 3.615 4.087 . 0 0 "[ . 1 . 2 .]" 1 596 1 71 VAL MG1 1 73 ILE MD 3.000 . 4.300 3.253 2.911 3.615 . 0 0 "[ . 1 . 2 .]" 1 597 1 71 VAL MG1 1 73 ILE MG 3.000 . 4.300 2.907 2.570 3.227 . 0 0 "[ . 1 . 2 .]" 1 598 1 71 VAL HB 1 73 ILE MG 4.000 . 5.500 4.156 3.700 4.338 . 0 0 "[ . 1 . 2 .]" 1 599 1 71 VAL HB 1 73 ILE MD 3.000 . 3.800 3.776 3.584 3.852 0.052 20 0 "[ . 1 . 2 .]" 1 600 1 71 VAL MG1 1 78 ARG HG2 4.000 . 5.500 3.087 2.719 3.476 . 0 0 "[ . 1 . 2 .]" 1 601 1 71 VAL MG1 1 78 ARG HG3 4.000 . 5.500 3.090 2.643 3.582 . 0 0 "[ . 1 . 2 .]" 1 602 1 71 VAL MG1 1 78 ARG HD3 4.000 . 5.500 4.137 2.660 4.844 . 0 0 "[ . 1 . 2 .]" 1 603 1 71 VAL MG1 1 78 ARG HD2 3.000 . 3.800 3.241 2.641 3.847 0.047 16 0 "[ . 1 . 2 .]" 1 604 1 71 VAL MG1 1 78 ARG HB3 4.000 . 5.500 5.070 4.729 5.497 . 0 0 "[ . 1 . 2 .]" 1 605 1 71 VAL HA 1 80 VAL HA 2.500 . 2.700 2.366 2.188 2.616 . 0 0 "[ . 1 . 2 .]" 1 606 1 71 VAL MG1 1 80 VAL HA 4.000 . 5.500 2.719 2.288 3.535 . 0 0 "[ . 1 . 2 .]" 1 607 1 72 LYS HA 1 72 LYS HG3 4.000 . 5.000 2.976 2.683 3.486 . 0 0 "[ . 1 . 2 .]" 1 608 1 72 LYS HE2 1 72 LYS HG3 4.000 . 5.000 2.555 2.162 3.657 . 0 0 "[ . 1 . 2 .]" 1 609 1 72 LYS HE3 1 72 LYS HG3 4.000 . 5.000 2.881 2.268 3.591 . 0 0 "[ . 1 . 2 .]" 1 610 1 72 LYS HE2 1 72 LYS HG2 4.000 . 5.000 3.193 2.562 4.238 . 0 0 "[ . 1 . 2 .]" 1 611 1 72 LYS HA 1 72 LYS HG2 4.000 . 5.000 2.430 2.174 2.667 . 0 0 "[ . 1 . 2 .]" 1 612 1 72 LYS HE3 1 72 LYS HG2 4.000 . 5.000 3.719 3.252 4.230 . 0 0 "[ . 1 . 2 .]" 1 613 1 72 LYS HG3 1 73 ILE MD 4.000 . 5.500 5.022 4.618 5.526 0.026 25 0 "[ . 1 . 2 .]" 1 614 1 72 LYS HG3 1 78 ARG HA 4.000 . 6.000 5.886 5.454 6.037 0.037 20 0 "[ . 1 . 2 .]" 1 615 1 72 LYS HE3 1 79 GLN QG 4.000 . 5.500 4.954 2.673 5.545 0.045 24 0 "[ . 1 . 2 .]" 1 616 1 72 LYS HE3 1 97 TRP HZ2 4.000 . 6.000 4.936 3.415 6.009 0.009 25 0 "[ . 1 . 2 .]" 1 617 1 73 ILE HA 1 73 ILE HG13 4.000 . 5.000 4.215 4.208 4.229 . 0 0 "[ . 1 . 2 .]" 1 618 1 73 ILE HA 1 73 ILE HG12 4.000 . 5.000 3.552 3.523 3.612 . 0 0 "[ . 1 . 2 .]" 1 619 1 73 ILE HA 1 73 ILE MG 3.000 . 3.800 2.168 2.117 2.213 . 0 0 "[ . 1 . 2 .]" 1 620 1 73 ILE HA 1 73 ILE MD 3.000 . 3.800 3.189 3.100 3.263 . 0 0 "[ . 1 . 2 .]" 1 621 1 73 ILE HB 1 73 ILE MD 3.000 . 3.800 3.145 3.131 3.169 . 0 0 "[ . 1 . 2 .]" 1 622 1 73 ILE MG 1 78 ARG HG3 3.000 . 3.800 3.227 2.867 3.528 . 0 0 "[ . 1 . 2 .]" 1 623 1 73 ILE HA 1 78 ARG HG3 4.000 . 5.000 2.496 2.172 2.942 . 0 0 "[ . 1 . 2 .]" 1 624 1 73 ILE HA 1 78 ARG HB2 4.000 . 6.000 3.669 3.280 3.967 . 0 0 "[ . 1 . 2 .]" 1 625 1 73 ILE HA 1 78 ARG HA 3.000 . 3.300 3.321 3.149 3.387 0.087 5 0 "[ . 1 . 2 .]" 1 626 1 73 ILE MG 1 78 ARG HA 4.000 . 5.500 4.726 4.549 4.814 . 0 0 "[ . 1 . 2 .]" 1 627 1 74 GLY HA3 1 75 PRO HA 3.000 . 3.300 2.182 2.117 2.369 . 0 0 "[ . 1 . 2 .]" 1 628 1 74 GLY HA2 1 75 PRO HA 3.000 . 3.300 3.008 2.539 3.348 0.048 2 0 "[ . 1 . 2 .]" 1 629 1 78 ARG HB2 1 78 ARG HD2 4.000 . 5.000 3.514 2.474 3.766 . 0 0 "[ . 1 . 2 .]" 1 630 1 78 ARG HB3 1 78 ARG HD2 4.000 . 5.000 3.522 2.464 3.784 . 0 0 "[ . 1 . 2 .]" 1 631 1 78 ARG HB3 1 78 ARG HD3 4.000 . 5.000 2.974 2.425 3.696 . 0 0 "[ . 1 . 2 .]" 1 632 1 78 ARG HA 1 78 ARG HG2 4.000 . 5.000 2.958 2.719 3.280 . 0 0 "[ . 1 . 2 .]" 1 633 1 78 ARG HA 1 78 ARG HG3 3.000 . 3.300 2.474 2.368 2.643 . 0 0 "[ . 1 . 2 .]" 1 634 1 78 ARG HB2 1 78 ARG HD3 4.000 . 5.000 2.651 2.348 3.760 . 0 0 "[ . 1 . 2 .]" 1 635 1 78 ARG HA 1 78 ARG HD3 4.000 . 6.000 4.376 4.064 4.735 . 0 0 "[ . 1 . 2 .]" 1 636 1 78 ARG HA 1 78 ARG HD2 4.000 . 5.000 4.667 4.255 4.830 . 0 0 "[ . 1 . 2 .]" 1 637 1 78 ARG HA 1 79 GLN QG 4.000 . 5.500 3.552 3.268 3.759 . 0 0 "[ . 1 . 2 .]" 1 638 1 79 GLN HA 1 79 GLN QG 2.500 . 3.200 2.454 2.305 2.903 . 0 0 "[ . 1 . 2 .]" 1 639 1 79 GLN HA 1 80 VAL HB 4.000 . 5.000 4.566 4.502 4.658 . 0 0 "[ . 1 . 2 .]" 1 640 1 80 VAL HA 1 80 VAL QG 2.500 . 3.200 2.075 2.016 2.134 . 0 0 "[ . 1 . 2 .]" 1 641 1 80 VAL QG 1 81 LEU HA 4.000 . 5.500 3.733 3.597 3.863 . 0 0 "[ . 1 . 2 .]" 1 642 1 80 VAL QG 1 82 SER HB3 3.000 . 3.800 3.676 3.534 3.805 0.005 6 0 "[ . 1 . 2 .]" 1 643 1 80 VAL QG 1 82 SER HB2 3.000 . 3.800 3.353 3.121 3.552 . 0 0 "[ . 1 . 2 .]" 1 644 1 80 VAL QG 1 82 SER HA 4.000 . 5.500 4.819 4.643 5.035 . 0 0 "[ . 1 . 2 .]" 1 645 1 81 LEU HA 1 81 LEU MD2 2.500 . 3.200 2.100 2.055 2.132 . 0 0 "[ . 1 . 2 .]" 1 646 1 81 LEU HA 1 81 LEU MD1 3.000 . 3.800 3.883 3.841 3.910 0.110 6 0 "[ . 1 . 2 .]" 1 647 1 81 LEU HA 1 81 LEU HG 3.000 . 3.300 3.177 2.997 3.323 0.023 18 0 "[ . 1 . 2 .]" 1 648 1 81 LEU MD1 1 86 LEU HA 4.000 . 5.500 3.429 3.143 3.710 . 0 0 "[ . 1 . 2 .]" 1 649 1 81 LEU MD2 1 86 LEU HA 4.000 . 6.500 4.291 3.982 4.497 . 0 0 "[ . 1 . 2 .]" 1 650 1 81 LEU HB3 1 86 LEU HA 4.000 . 5.000 2.608 2.348 2.920 . 0 0 "[ . 1 . 2 .]" 1 651 1 81 LEU MD1 1 89 GLN HB2 4.000 . 5.500 4.149 3.033 4.499 . 0 0 "[ . 1 . 2 .]" 1 652 1 81 LEU MD2 1 89 GLN HA 4.000 . 5.500 3.986 3.548 4.235 . 0 0 "[ . 1 . 2 .]" 1 653 1 81 LEU MD1 1 90 LEU HA 3.000 . 3.800 2.214 2.035 2.605 . 0 0 "[ . 1 . 2 .]" 1 654 1 81 LEU MD2 1 90 LEU HA 4.000 . 5.500 3.707 3.347 3.879 . 0 0 "[ . 1 . 2 .]" 1 655 1 81 LEU MD2 1 93 GLN HG3 3.000 . 3.800 1.970 1.909 2.229 . 0 0 "[ . 1 . 2 .]" 1 656 1 81 LEU MD2 1 93 GLN HG2 4.000 . 5.500 2.923 2.100 3.316 . 0 0 "[ . 1 . 2 .]" 1 657 1 81 LEU MD1 1 93 GLN HG3 4.000 . 5.500 2.729 2.164 3.324 . 0 0 "[ . 1 . 2 .]" 1 658 1 81 LEU MD2 1 97 TRP HZ2 4.000 . 5.500 3.319 2.481 4.238 . 0 0 "[ . 1 . 2 .]" 1 659 1 81 LEU MD1 1 97 TRP HZ2 3.000 . 3.800 2.411 2.095 2.907 . 0 0 "[ . 1 . 2 .]" 1 660 1 81 LEU HG 1 97 TRP HH2 4.000 . 6.000 4.458 3.490 5.387 . 0 0 "[ . 1 . 2 .]" 1 661 1 81 LEU MD1 1 97 TRP HH2 3.000 . 3.800 2.529 1.972 3.231 . 0 0 "[ . 1 . 2 .]" 1 662 1 81 LEU MD2 1 97 TRP HH2 4.000 . 5.500 4.638 3.754 5.489 . 0 0 "[ . 1 . 2 .]" 1 663 1 82 SER HA 1 86 LEU QD 3.000 . 3.800 2.320 1.938 2.919 . 0 0 "[ . 1 . 2 .]" 1 664 1 82 SER HB2 1 86 LEU QD 4.000 . 5.500 3.781 3.485 4.390 . 0 0 "[ . 1 . 2 .]" 1 665 1 82 SER HB3 1 86 LEU QD 4.000 . 5.500 4.496 4.135 5.057 . 0 0 "[ . 1 . 2 .]" 1 666 1 83 GLY HA3 1 84 ILE HG13 4.000 . 6.000 4.964 4.640 5.132 . 0 0 "[ . 1 . 2 .]" 1 667 1 84 ILE HA 1 84 ILE HG13 4.000 . 5.000 3.630 3.617 3.647 . 0 0 "[ . 1 . 2 .]" 1 668 1 84 ILE HA 1 84 ILE HG12 4.000 . 5.000 3.809 3.786 3.832 . 0 0 "[ . 1 . 2 .]" 1 669 1 84 ILE HA 1 84 ILE MG 2.500 . 3.200 2.419 2.305 2.536 . 0 0 "[ . 1 . 2 .]" 1 670 1 84 ILE HA 1 84 ILE MD 4.000 . 5.500 4.092 4.073 4.106 . 0 0 "[ . 1 . 2 .]" 1 671 1 84 ILE HB 1 84 ILE MD 3.000 . 3.800 2.260 2.164 2.347 . 0 0 "[ . 1 . 2 .]" 1 672 1 84 ILE MG 1 85 ASP HA 4.000 . 5.500 5.499 5.478 5.515 0.015 23 0 "[ . 1 . 2 .]" 1 673 1 86 LEU HA 1 86 LEU HG 4.000 . 5.000 2.617 2.276 3.131 . 0 0 "[ . 1 . 2 .]" 1 674 1 86 LEU HA 1 86 LEU QD 3.000 . 3.800 2.711 2.010 3.154 . 0 0 "[ . 1 . 2 .]" 1 675 1 86 LEU HB3 1 86 LEU QD 3.000 . 3.800 2.078 2.005 2.155 . 0 0 "[ . 1 . 2 .]" 1 676 1 86 LEU HB2 1 86 LEU QD 2.500 . 3.200 2.105 1.998 2.354 . 0 0 "[ . 1 . 2 .]" 1 677 1 86 LEU QD 1 87 THR MG 4.000 . 6.000 3.733 3.316 4.196 . 0 0 "[ . 1 . 2 .]" 1 678 1 86 LEU HB3 1 87 THR HA 4.000 . 6.000 4.434 4.132 4.738 . 0 0 "[ . 1 . 2 .]" 1 679 1 86 LEU HA 1 89 GLN HB3 3.000 . 3.300 3.231 2.996 3.556 0.256 15 0 "[ . 1 . 2 .]" 1 680 1 86 LEU HA 1 89 GLN HB2 4.000 . 6.000 3.417 2.118 3.807 . 0 0 "[ . 1 . 2 .]" 1 681 1 86 LEU HA 1 89 GLN QG 4.000 . 5.500 4.992 3.744 5.241 . 0 0 "[ . 1 . 2 .]" 1 682 1 86 LEU HA 1 90 LEU HB2 4.000 . 6.000 3.876 3.696 4.068 . 0 0 "[ . 1 . 2 .]" 1 683 1 87 THR HA 1 87 THR MG 2.500 . 3.200 2.377 2.235 2.480 . 0 0 "[ . 1 . 2 .]" 1 684 1 87 THR HA 1 90 LEU MD2 4.000 . 5.500 3.282 2.897 4.995 . 0 0 "[ . 1 . 2 .]" 1 685 1 87 THR HA 1 90 LEU HB2 4.000 . 5.000 3.612 3.298 3.919 . 0 0 "[ . 1 . 2 .]" 1 686 1 87 THR HA 1 90 LEU HB3 4.000 . 5.000 2.474 2.322 2.685 . 0 0 "[ . 1 . 2 .]" 1 687 1 88 ASP HA 1 91 ALA MB 2.500 . 3.200 2.906 2.630 3.080 . 0 0 "[ . 1 . 2 .]" 1 688 1 89 GLN HA 1 89 GLN QG 3.000 . 3.800 2.163 2.092 2.260 . 0 0 "[ . 1 . 2 .]" 1 689 1 89 GLN HA 1 92 ASN HB2 3.000 . 3.300 2.556 2.285 2.846 . 0 0 "[ . 1 . 2 .]" 1 690 1 89 GLN HA 1 92 ASN HB3 4.000 . 5.000 4.162 3.840 4.477 . 0 0 "[ . 1 . 2 .]" 1 691 1 90 LEU HA 1 90 LEU MD2 4.000 . 5.500 3.761 2.008 3.848 . 0 0 "[ . 1 . 2 .]" 1 692 1 90 LEU HB3 1 90 LEU MD2 3.000 . 3.800 2.295 2.143 3.179 . 0 0 "[ . 1 . 2 .]" 1 693 1 90 LEU HB2 1 90 LEU MD2 3.000 . 3.800 2.434 2.333 2.503 . 0 0 "[ . 1 . 2 .]" 1 694 1 90 LEU HA 1 90 LEU HG 4.000 . 6.000 2.998 2.871 3.704 . 0 0 "[ . 1 . 2 .]" 1 695 1 90 LEU HA 1 90 LEU MD1 2.500 . 3.200 2.186 2.098 3.036 . 0 0 "[ . 1 . 2 .]" 1 696 1 90 LEU HB2 1 90 LEU MD1 3.000 . 3.800 2.233 2.145 3.198 . 0 0 "[ . 1 . 2 .]" 1 697 1 90 LEU HB3 1 90 LEU MD1 3.000 . 3.800 3.142 2.230 3.190 . 0 0 "[ . 1 . 2 .]" 1 698 1 90 LEU MD2 1 91 ALA MB 4.000 . 7.000 4.525 4.442 4.947 . 0 0 "[ . 1 . 2 .]" 1 699 1 90 LEU MD1 1 91 ALA HA 4.000 . 5.500 4.657 2.341 4.929 . 0 0 "[ . 1 . 2 .]" 1 700 1 90 LEU HA 1 93 GLN HB3 4.000 . 5.000 4.044 3.782 4.527 . 0 0 "[ . 1 . 2 .]" 1 701 1 90 LEU HA 1 93 GLN HB2 4.000 . 6.000 2.388 2.198 2.834 . 0 0 "[ . 1 . 2 .]" 1 702 1 90 LEU MD1 1 97 TRP HZ3 3.000 . 3.800 2.555 2.027 3.889 0.089 10 0 "[ . 1 . 2 .]" 1 703 1 90 LEU MD1 1 97 TRP HH2 4.000 . 5.500 2.197 1.934 3.945 . 0 0 "[ . 1 . 2 .]" 1 704 1 91 ALA MB 1 92 ASN HB3 4.000 . 5.500 5.219 5.123 5.357 . 0 0 "[ . 1 . 2 .]" 1 705 1 91 ALA MB 1 92 ASN HA 4.000 . 5.500 3.860 3.774 3.915 . 0 0 "[ . 1 . 2 .]" 1 706 1 91 ALA HA 1 94 LEU HB2 4.000 . 5.000 3.828 3.352 4.004 . 0 0 "[ . 1 . 2 .]" 1 707 1 92 ASN HB3 1 93 GLN HG2 4.000 . 5.000 4.058 3.779 4.586 . 0 0 "[ . 1 . 2 .]" 1 708 1 92 ASN HA 1 95 PRO HD2 4.000 . 5.000 3.402 3.310 3.516 . 0 0 "[ . 1 . 2 .]" 1 709 1 92 ASN HA 1 95 PRO HD3 4.000 . 6.000 4.414 4.271 4.568 . 0 0 "[ . 1 . 2 .]" 1 710 1 93 GLN HA 1 93 GLN HG2 3.000 . 3.300 2.906 2.607 3.477 0.177 15 0 "[ . 1 . 2 .]" 1 711 1 93 GLN HA 1 93 GLN HG3 4.000 . 5.000 3.645 3.491 3.713 . 0 0 "[ . 1 . 2 .]" 1 712 1 93 GLN HA 1 96 GLN QB 3.000 . 3.800 2.680 2.517 2.956 . 0 0 "[ . 1 . 2 .]" 1 713 1 93 GLN HA 1 96 GLN QG 3.000 . 3.800 3.202 2.868 3.428 . 0 0 "[ . 1 . 2 .]" 1 714 1 93 GLN HA 1 97 TRP HZ2 4.000 . 5.000 4.870 4.644 5.014 0.014 7 0 "[ . 1 . 2 .]" 1 715 1 94 LEU HB3 1 94 LEU MD2 3.000 . 3.800 2.366 2.284 2.464 . 0 0 "[ . 1 . 2 .]" 1 716 1 94 LEU HB2 1 94 LEU MD2 3.000 . 3.800 2.309 2.198 2.415 . 0 0 "[ . 1 . 2 .]" 1 717 1 94 LEU HA 1 94 LEU MD2 3.000 . 3.800 3.810 3.776 3.856 0.056 9 0 "[ . 1 . 2 .]" 1 718 1 94 LEU HA 1 94 LEU MD1 2.500 . 3.200 2.128 2.093 2.196 . 0 0 "[ . 1 . 2 .]" 1 719 1 94 LEU HB2 1 94 LEU MD1 3.000 . 3.800 2.336 2.293 2.399 . 0 0 "[ . 1 . 2 .]" 1 720 1 94 LEU HA 1 94 LEU HG 4.000 . 5.000 3.325 3.249 3.454 . 0 0 "[ . 1 . 2 .]" 1 721 1 94 LEU HB3 1 95 PRO HD2 3.000 . 3.300 2.282 2.219 2.424 . 0 0 "[ . 1 . 2 .]" 1 722 1 94 LEU MD2 1 95 PRO HD2 4.000 . 5.500 4.161 3.996 4.331 . 0 0 "[ . 1 . 2 .]" 1 723 1 94 LEU HB2 1 95 PRO HD2 4.000 . 5.000 3.710 3.646 3.799 . 0 0 "[ . 1 . 2 .]" 1 724 1 94 LEU MD1 1 95 PRO HD2 4.000 . 6.500 4.364 4.243 4.460 . 0 0 "[ . 1 . 2 .]" 1 725 1 94 LEU HB2 1 95 PRO HD3 4.000 . 5.000 3.779 3.723 3.827 . 0 0 "[ . 1 . 2 .]" 1 726 1 94 LEU HB3 1 95 PRO HD3 3.000 . 3.300 2.102 2.081 2.140 . 0 0 "[ . 1 . 2 .]" 1 727 1 94 LEU HB3 1 95 PRO HG3 4.000 . 5.000 4.246 4.207 4.317 . 0 0 "[ . 1 . 2 .]" 1 728 1 94 LEU HA 1 95 PRO HD2 4.000 . 6.000 3.710 3.693 3.742 . 0 0 "[ . 1 . 2 .]" 1 729 1 94 LEU MD1 1 97 TRP HB2 4.000 . 5.500 2.627 2.414 2.882 . 0 0 "[ . 1 . 2 .]" 1 730 1 94 LEU HA 1 97 TRP HB2 4.000 . 5.000 2.969 2.648 3.275 . 0 0 "[ . 1 . 2 .]" 1 731 1 94 LEU MD1 1 97 TRP HB3 4.000 . 5.500 3.951 3.675 4.257 . 0 0 "[ . 1 . 2 .]" 1 732 1 94 LEU HA 1 97 TRP HB3 4.000 . 5.000 4.348 4.051 4.663 . 0 0 "[ . 1 . 2 .]" 1 733 1 94 LEU MD2 1 97 TRP HE3 4.000 . 5.500 4.890 4.639 5.124 . 0 0 "[ . 1 . 2 .]" 1 734 1 94 LEU MD1 1 97 TRP HZ3 3.000 . 3.800 3.639 3.331 3.820 0.020 13 0 "[ . 1 . 2 .]" 1 735 1 94 LEU MD1 1 97 TRP HD1 4.000 . 6.500 5.423 5.284 5.629 . 0 0 "[ . 1 . 2 .]" 1 736 1 94 LEU MD1 1 97 TRP HE3 3.000 . 3.800 2.639 2.405 2.816 . 0 0 "[ . 1 . 2 .]" 1 737 1 94 LEU HA 1 97 TRP HE3 4.000 . 5.000 2.909 2.672 3.143 . 0 0 "[ . 1 . 2 .]" 1 738 1 94 LEU MD2 1 97 TRP HZ3 4.000 . 6.500 5.110 4.759 5.439 . 0 0 "[ . 1 . 2 .]" 1 739 1 94 LEU HB3 1 98 LEU MD1 4.000 . 5.500 5.071 4.634 5.448 . 0 0 "[ . 1 . 2 .]" 1 740 1 95 PRO HA 1 98 LEU MD1 3.000 . 3.800 3.011 2.399 3.692 . 0 0 "[ . 1 . 2 .]" 1 741 1 95 PRO HA 1 98 LEU HB3 4.000 . 5.000 4.745 4.430 5.021 0.021 3 0 "[ . 1 . 2 .]" 1 742 1 95 PRO HA 1 98 LEU HB2 4.000 . 5.000 3.127 2.764 3.342 . 0 0 "[ . 1 . 2 .]" 1 743 1 96 GLN HA 1 96 GLN QG 2.500 . 3.200 2.364 2.293 2.875 . 0 0 "[ . 1 . 2 .]" 1 744 1 96 GLN QB 1 97 TRP HD1 4.000 . 5.500 2.751 2.596 2.905 . 0 0 "[ . 1 . 2 .]" 1 745 1 96 GLN HA 1 99 VAL HB 3.000 . 3.300 2.357 2.229 2.599 . 0 0 "[ . 1 . 2 .]" 1 746 1 96 GLN QB 1 99 VAL MG1 4.000 . 7.000 4.924 4.690 5.123 . 0 0 "[ . 1 . 2 .]" 1 747 1 96 GLN QG 1 99 VAL MG2 3.000 . 4.300 4.071 3.547 4.341 0.041 1 0 "[ . 1 . 2 .]" 1 748 1 96 GLN HA 1 99 VAL MG2 4.000 . 5.500 2.939 2.261 3.491 . 0 0 "[ . 1 . 2 .]" 1 749 1 96 GLN HA 1 99 VAL MG1 3.000 . 3.800 3.758 3.547 3.861 0.061 23 0 "[ . 1 . 2 .]" 1 750 1 97 TRP HB3 1 97 TRP HE3 4.000 . 6.000 3.137 3.019 3.226 . 0 0 "[ . 1 . 2 .]" 1 751 1 97 TRP HA 1 97 TRP HD1 2.500 . 2.700 2.204 2.143 2.288 . 0 0 "[ . 1 . 2 .]" 1 752 1 97 TRP HA 1 100 GLN QB 4.000 . 5.500 5.014 3.747 5.515 0.015 18 0 "[ . 1 . 2 .]" 1 753 1 97 TRP HD1 1 100 GLN QG 4.000 . 5.500 4.987 3.652 5.612 0.112 24 0 "[ . 1 . 2 .]" 1 754 1 98 LEU HA 1 98 LEU HG 4.000 . 5.000 3.059 2.723 3.277 . 0 0 "[ . 1 . 2 .]" 1 755 1 98 LEU HB2 1 98 LEU MD1 3.000 . 3.800 2.347 2.206 2.459 . 0 0 "[ . 1 . 2 .]" 1 756 1 98 LEU HA 1 98 LEU MD1 4.000 . 5.500 3.788 3.742 3.841 . 0 0 "[ . 1 . 2 .]" 1 757 1 98 LEU HA 1 98 LEU MD2 2.500 . 3.200 2.052 1.982 2.148 . 0 0 "[ . 1 . 2 .]" 1 758 1 98 LEU HA 1 99 VAL MG2 4.000 . 5.500 4.840 4.392 5.046 . 0 0 "[ . 1 . 2 .]" 1 759 1 99 VAL HA 1 99 VAL MG1 2.500 . 3.200 2.351 2.176 2.448 . 0 0 "[ . 1 . 2 .]" 1 760 1 99 VAL MG1 1 100 GLN QG 4.000 . 6.000 4.784 4.247 5.376 . 0 0 "[ . 1 . 2 .]" 1 761 1 99 VAL MG1 1 101 GLN HB2 4.000 . 5.500 3.777 1.995 5.472 . 0 0 "[ . 1 . 2 .]" 1 762 1 101 GLN HA 1 101 GLN QG 2.500 . 3.200 2.428 2.297 2.969 . 0 0 "[ . 1 . 2 .]" 1 763 1 10 ALA H 1 10 ALA MB 2.500 . 3.400 2.144 2.042 2.226 . 0 0 "[ . 1 . 2 .]" 1 764 1 10 ALA MB 1 11 GLN H 2.500 . 3.400 2.579 1.767 3.052 0.033 2 0 "[ . 1 . 2 .]" 1 765 1 10 ALA HA 1 11 GLN H 2.500 . 2.900 2.377 2.158 2.790 . 0 0 "[ . 1 . 2 .]" 1 766 1 11 GLN H 1 11 GLN HB3 4.000 . 5.000 3.641 3.550 3.886 . 0 0 "[ . 1 . 2 .]" 1 767 1 12 PRO HA 1 13 LEU H 3.000 . 3.500 2.367 2.297 2.499 . 0 0 "[ . 1 . 2 .]" 1 768 1 13 LEU H 1 13 LEU HB2 4.000 . 6.000 2.483 2.421 2.582 . 0 0 "[ . 1 . 2 .]" 1 769 1 13 LEU H 1 13 LEU HB3 4.000 . 6.000 2.650 2.604 2.704 . 0 0 "[ . 1 . 2 .]" 1 770 1 13 LEU HA 1 14 LEU H 3.000 . 3.500 2.194 2.160 2.229 . 0 0 "[ . 1 . 2 .]" 1 771 1 13 LEU MD2 1 14 LEU H 3.000 . 4.000 2.069 1.901 2.147 . 0 0 "[ . 1 . 2 .]" 1 772 1 14 LEU H 1 14 LEU HB2 4.000 . 5.000 2.486 2.346 2.547 . 0 0 "[ . 1 . 2 .]" 1 773 1 14 LEU H 1 14 LEU HG 4.000 . 5.000 2.505 2.271 3.719 . 0 0 "[ . 1 . 2 .]" 1 774 1 14 LEU HA 1 15 LEU H 3.000 . 3.500 2.105 2.083 2.140 . 0 0 "[ . 1 . 2 .]" 1 775 1 14 LEU HB3 1 15 LEU H 4.000 . 6.000 3.628 3.546 3.785 . 0 0 "[ . 1 . 2 .]" 1 776 1 14 LEU MD2 1 15 LEU H 3.000 . 4.000 3.581 3.464 3.935 . 0 0 "[ . 1 . 2 .]" 1 777 1 14 LEU HB2 1 74 GLY H 4.000 . 5.000 3.126 2.648 3.445 . 0 0 "[ . 1 . 2 .]" 1 778 1 15 LEU HA 1 16 GLN H 3.000 . 3.500 2.215 2.193 2.234 . 0 0 "[ . 1 . 2 .]" 1 779 1 15 LEU MD2 1 16 GLN H 4.000 . 5.500 2.479 2.296 2.613 . 0 0 "[ . 1 . 2 .]" 1 780 1 15 LEU MD2 1 73 ILE H 4.000 . 5.500 3.710 3.426 3.970 . 0 0 "[ . 1 . 2 .]" 1 781 1 16 GLN H 1 16 GLN HG2 4.000 . 5.000 4.290 4.123 4.393 . 0 0 "[ . 1 . 2 .]" 1 782 1 16 GLN HA 1 17 LEU H 3.000 . 3.500 2.276 2.138 2.324 . 0 0 "[ . 1 . 2 .]" 1 783 1 17 LEU H 1 17 LEU HB2 4.000 . 5.000 3.160 2.936 3.242 . 0 0 "[ . 1 . 2 .]" 1 784 1 17 LEU H 1 17 LEU HB3 4.000 . 5.000 2.723 2.509 2.793 . 0 0 "[ . 1 . 2 .]" 1 785 1 17 LEU MD1 1 18 PHE H 3.000 . 4.000 2.814 2.556 3.033 . 0 0 "[ . 1 . 2 .]" 1 786 1 17 LEU HA 1 18 PHE H 3.000 . 3.500 2.163 2.146 2.183 . 0 0 "[ . 1 . 2 .]" 1 787 1 17 LEU H 1 47 LEU MD2 4.000 . 5.500 3.011 2.377 3.848 . 0 0 "[ . 1 . 2 .]" 1 788 1 17 LEU MD1 1 69 ALA H 4.000 . 5.500 3.125 2.688 3.483 . 0 0 "[ . 1 . 2 .]" 1 789 1 18 PHE H 1 18 PHE QD 4.000 . 5.000 2.456 2.108 2.846 . 0 0 "[ . 1 . 2 .]" 1 790 1 18 PHE H 1 18 PHE HB3 4.000 . 5.000 3.609 3.580 3.649 . 0 0 "[ . 1 . 2 .]" 1 791 1 18 PHE H 1 18 PHE HB2 4.000 . 5.000 2.359 2.313 2.424 . 0 0 "[ . 1 . 2 .]" 1 792 1 18 PHE QD 1 19 VAL H 4.000 . 5.000 4.242 3.817 4.524 . 0 0 "[ . 1 . 2 .]" 1 793 1 18 PHE HA 1 19 VAL H 2.500 . 2.900 2.158 2.114 2.183 . 0 0 "[ . 1 . 2 .]" 1 794 1 18 PHE HA 1 50 ILE H 4.000 . 5.000 2.779 2.601 2.927 . 0 0 "[ . 1 . 2 .]" 1 795 1 18 PHE H 1 69 ALA MB 4.000 . 6.500 3.591 3.184 3.909 . 0 0 "[ . 1 . 2 .]" 1 796 1 18 PHE HB2 1 69 ALA H 4.000 . 5.000 3.099 2.662 3.401 . 0 0 "[ . 1 . 2 .]" 1 797 1 18 PHE HB3 1 69 ALA H 4.000 . 5.000 4.126 3.761 4.491 . 0 0 "[ . 1 . 2 .]" 1 798 1 19 VAL H 1 19 VAL MG1 3.000 . 4.000 2.647 2.502 2.818 . 0 0 "[ . 1 . 2 .]" 1 799 1 19 VAL H 1 19 VAL MG2 2.500 . 3.400 2.180 2.064 2.283 . 0 0 "[ . 1 . 2 .]" 1 800 1 19 VAL HA 1 20 ASP H 3.000 . 3.500 2.297 2.250 2.479 . 0 0 "[ . 1 . 2 .]" 1 801 1 19 VAL HB 1 20 ASP H 3.000 . 3.500 2.662 2.443 2.826 . 0 0 "[ . 1 . 2 .]" 1 802 1 19 VAL MG2 1 20 ASP H 3.000 . 4.000 3.366 3.131 3.499 . 0 0 "[ . 1 . 2 .]" 1 803 1 19 VAL MG1 1 29 VAL H 4.000 . 5.500 4.921 4.671 5.130 . 0 0 "[ . 1 . 2 .]" 1 804 1 19 VAL H 1 51 ASN HA 4.000 . 5.000 3.229 3.032 3.339 . 0 0 "[ . 1 . 2 .]" 1 805 1 19 VAL MG2 1 52 VAL H 3.000 . 4.000 3.911 3.772 4.054 0.054 1 0 "[ . 1 . 2 .]" 1 806 1 19 VAL H 1 52 VAL MG1 4.000 . 5.500 3.081 2.850 3.379 . 0 0 "[ . 1 . 2 .]" 1 807 1 19 VAL H 1 52 VAL MG2 4.000 . 5.500 4.086 3.615 4.416 . 0 0 "[ . 1 . 2 .]" 1 808 1 19 VAL MG1 1 69 ALA H 4.000 . 5.500 3.726 3.491 3.958 . 0 0 "[ . 1 . 2 .]" 1 809 1 20 ASP HA 1 21 THR H 4.000 . 5.000 3.045 2.443 3.118 . 0 0 "[ . 1 . 2 .]" 1 810 1 20 ASP HB2 1 21 THR H 4.000 . 5.000 4.451 4.256 4.504 . 0 0 "[ . 1 . 2 .]" 1 811 1 21 THR H 1 21 THR MG 3.000 . 4.000 2.597 2.457 2.740 . 0 0 "[ . 1 . 2 .]" 1 812 1 21 THR HA 1 22 ARG H 3.000 . 3.500 3.229 3.178 3.329 . 0 0 "[ . 1 . 2 .]" 1 813 1 21 THR MG 1 22 ARG H 4.000 . 5.500 4.038 3.968 4.165 . 0 0 "[ . 1 . 2 .]" 1 814 1 22 ARG H 1 22 ARG QB 3.000 . 4.000 2.490 2.340 2.632 . 0 0 "[ . 1 . 2 .]" 1 815 1 22 ARG H 1 22 ARG HD3 4.000 . 5.000 4.127 1.666 4.704 0.134 3 0 "[ . 1 . 2 .]" 1 816 1 22 ARG H 1 23 PRO HD3 4.000 . 5.000 5.009 4.679 5.057 0.057 2 0 "[ . 1 . 2 .]" 1 817 1 23 PRO HA 1 26 GLN H 4.000 . 5.000 3.250 3.110 3.352 . 0 0 "[ . 1 . 2 .]" 1 818 1 24 LEU H 1 24 LEU HB2 4.000 . 6.000 2.463 2.412 2.509 . 0 0 "[ . 1 . 2 .]" 1 819 1 24 LEU H 1 24 LEU HB3 4.000 . 6.000 2.614 2.571 2.717 . 0 0 "[ . 1 . 2 .]" 1 820 1 24 LEU HA 1 25 SER H 4.000 . 5.000 3.556 3.544 3.569 . 0 0 "[ . 1 . 2 .]" 1 821 1 24 LEU HB3 1 25 SER H 3.000 . 3.500 2.532 2.469 2.669 . 0 0 "[ . 1 . 2 .]" 1 822 1 25 SER H 1 25 SER QB 3.000 . 4.000 2.459 2.257 2.559 . 0 0 "[ . 1 . 2 .]" 1 823 1 26 GLN H 1 26 GLN QB 2.500 . 3.400 2.418 2.331 2.528 . 0 0 "[ . 1 . 2 .]" 1 824 1 26 GLN H 1 26 GLN QG 2.500 . 3.400 2.225 2.007 3.187 . 0 0 "[ . 1 . 2 .]" 1 825 1 27 HIS QB 1 28 ILE H 3.000 . 4.000 2.148 2.056 2.245 . 0 0 "[ . 1 . 2 .]" 1 826 1 27 HIS HA 1 28 ILE H 4.000 . 5.000 3.545 3.530 3.559 . 0 0 "[ . 1 . 2 .]" 1 827 1 28 ILE H 1 28 ILE HG13 3.000 . 3.500 2.181 2.115 2.329 . 0 0 "[ . 1 . 2 .]" 1 828 1 28 ILE H 1 28 ILE HG12 4.000 . 5.000 3.473 3.392 3.605 . 0 0 "[ . 1 . 2 .]" 1 829 1 28 ILE H 1 28 ILE HB 3.000 . 3.500 2.417 2.360 2.461 . 0 0 "[ . 1 . 2 .]" 1 830 1 28 ILE H 1 28 ILE MG 4.000 . 5.500 3.727 3.715 3.742 . 0 0 "[ . 1 . 2 .]" 1 831 1 28 ILE MG 1 29 VAL H 3.000 . 4.000 3.564 3.443 3.662 . 0 0 "[ . 1 . 2 .]" 1 832 1 28 ILE H 1 29 VAL MG2 4.000 . 5.500 4.273 4.165 4.337 . 0 0 "[ . 1 . 2 .]" 1 833 1 28 ILE HB 1 29 VAL H 3.000 . 3.500 2.812 2.723 2.890 . 0 0 "[ . 1 . 2 .]" 1 834 1 28 ILE HA 1 31 ARG H 3.000 . 3.500 3.130 2.974 3.240 . 0 0 "[ . 1 . 2 .]" 1 835 1 29 VAL H 1 29 VAL HB 3.000 . 3.500 2.415 2.375 2.464 . 0 0 "[ . 1 . 2 .]" 1 836 1 29 VAL H 1 29 VAL MG2 2.500 . 3.400 2.395 2.287 2.478 . 0 0 "[ . 1 . 2 .]" 1 837 1 29 VAL MG2 1 30 GLN H 3.000 . 4.000 3.948 3.912 3.982 . 0 0 "[ . 1 . 2 .]" 1 838 1 29 VAL HB 1 30 GLN H 3.000 . 3.500 2.584 2.534 2.643 . 0 0 "[ . 1 . 2 .]" 1 839 1 30 GLN H 1 30 GLN QB 2.500 . 3.400 2.447 2.401 2.504 . 0 0 "[ . 1 . 2 .]" 1 840 1 30 GLN H 1 30 GLN QG 3.000 . 4.000 2.225 2.133 2.461 . 0 0 "[ . 1 . 2 .]" 1 841 1 30 GLN HA 1 31 ARG H 4.000 . 5.000 3.545 3.529 3.554 . 0 0 "[ . 1 . 2 .]" 1 842 1 30 GLN QG 1 31 ARG H 3.000 . 4.000 4.005 3.922 4.047 0.047 9 0 "[ . 1 . 2 .]" 1 843 1 30 GLN QB 1 31 ARG H 3.000 . 4.000 2.502 2.427 2.570 . 0 0 "[ . 1 . 2 .]" 1 844 1 30 GLN HA 1 33 LYS H 3.000 . 3.500 3.439 3.198 3.535 0.035 13 0 "[ . 1 . 2 .]" 1 845 1 30 GLN HA 1 34 ASN H 4.000 . 5.000 3.574 3.446 3.701 . 0 0 "[ . 1 . 2 .]" 1 846 1 31 ARG H 1 31 ARG QB 2.500 . 3.400 2.419 2.380 2.459 . 0 0 "[ . 1 . 2 .]" 1 847 1 31 ARG H 1 31 ARG HG2 3.000 . 3.500 3.336 3.250 3.413 . 0 0 "[ . 1 . 2 .]" 1 848 1 31 ARG H 1 31 ARG QD 4.000 . 5.500 3.960 3.768 4.302 . 0 0 "[ . 1 . 2 .]" 1 849 1 31 ARG HA 1 32 VAL H 4.000 . 5.000 3.538 3.526 3.549 . 0 0 "[ . 1 . 2 .]" 1 850 1 31 ARG QB 1 32 VAL H 3.000 . 4.000 2.583 2.499 2.677 . 0 0 "[ . 1 . 2 .]" 1 851 1 31 ARG HA 1 34 ASN H 3.000 . 3.500 3.524 3.483 3.570 0.070 12 0 "[ . 1 . 2 .]" 1 852 1 32 VAL H 1 32 VAL HB 3.000 . 3.500 2.407 2.319 2.471 . 0 0 "[ . 1 . 2 .]" 1 853 1 32 VAL H 1 32 VAL MG2 2.500 . 3.400 2.335 2.183 2.532 . 0 0 "[ . 1 . 2 .]" 1 854 1 32 VAL H 1 32 VAL MG1 3.000 . 4.000 3.731 3.700 3.745 . 0 0 "[ . 1 . 2 .]" 1 855 1 32 VAL HB 1 33 LYS H 3.000 . 3.500 2.387 2.295 2.466 . 0 0 "[ . 1 . 2 .]" 1 856 1 32 VAL MG2 1 33 LYS H 4.000 . 5.500 3.828 3.754 3.906 . 0 0 "[ . 1 . 2 .]" 1 857 1 32 VAL MG1 1 33 LYS H 3.000 . 4.000 3.095 2.839 3.308 . 0 0 "[ . 1 . 2 .]" 1 858 1 32 VAL HA 1 33 LYS H 4.000 . 6.000 3.565 3.556 3.572 . 0 0 "[ . 1 . 2 .]" 1 859 1 32 VAL HA 1 35 ILE H 4.000 . 5.000 3.737 3.669 3.853 . 0 0 "[ . 1 . 2 .]" 1 860 1 32 VAL HA 1 36 LEU H 4.000 . 5.000 3.901 3.627 4.127 . 0 0 "[ . 1 . 2 .]" 1 861 1 32 VAL H 1 87 THR MG 4.000 . 5.500 3.775 3.322 4.315 . 0 0 "[ . 1 . 2 .]" 1 862 1 33 LYS H 1 33 LYS QD 3.000 . 4.000 3.872 3.836 3.911 . 0 0 "[ . 1 . 2 .]" 1 863 1 33 LYS H 1 33 LYS HG2 4.000 . 5.500 3.360 3.292 3.436 . 0 0 "[ . 1 . 2 .]" 1 864 1 33 LYS H 1 33 LYS HB3 3.000 . 3.500 3.560 3.553 3.567 0.067 22 0 "[ . 1 . 2 .]" 1 865 1 33 LYS HA 1 34 ASN H 4.000 . 5.000 3.544 3.531 3.555 . 0 0 "[ . 1 . 2 .]" 1 866 1 33 LYS HB3 1 34 ASN H 3.000 . 3.500 3.536 3.470 3.562 0.062 13 0 "[ . 1 . 2 .]" 1 867 1 33 LYS HA 1 36 LEU H 4.000 . 5.000 3.766 3.594 3.979 . 0 0 "[ . 1 . 2 .]" 1 868 1 34 ASN H 1 34 ASN HB2 3.000 . 3.500 2.454 2.384 2.498 . 0 0 "[ . 1 . 2 .]" 1 869 1 34 ASN H 1 34 ASN HB3 3.000 . 3.500 3.558 3.545 3.566 0.066 9 0 "[ . 1 . 2 .]" 1 870 1 34 ASN HB2 1 35 ILE H 4.000 . 5.000 2.520 2.452 2.609 . 0 0 "[ . 1 . 2 .]" 1 871 1 34 ASN HA 1 37 ALA H 4.000 . 5.000 3.809 3.642 3.952 . 0 0 "[ . 1 . 2 .]" 1 872 1 34 ASN H 1 37 ALA MB 4.000 . 5.500 4.489 4.143 4.814 . 0 0 "[ . 1 . 2 .]" 1 873 1 35 ILE H 1 35 ILE MG 3.000 . 4.000 3.744 3.732 3.755 . 0 0 "[ . 1 . 2 .]" 1 874 1 35 ILE H 1 35 ILE HG13 3.000 . 3.500 2.213 2.110 2.290 . 0 0 "[ . 1 . 2 .]" 1 875 1 35 ILE H 1 35 ILE HG12 4.000 . 5.000 3.573 3.490 3.643 . 0 0 "[ . 1 . 2 .]" 1 876 1 35 ILE H 1 35 ILE HB 3.000 . 3.500 2.440 2.399 2.475 . 0 0 "[ . 1 . 2 .]" 1 877 1 35 ILE H 1 35 ILE MD 3.000 . 4.000 3.433 3.353 3.528 . 0 0 "[ . 1 . 2 .]" 1 878 1 35 ILE HA 1 36 LEU H 4.000 . 6.000 3.578 3.562 3.592 . 0 0 "[ . 1 . 2 .]" 1 879 1 35 ILE MG 1 36 LEU H 3.000 . 4.000 3.227 3.079 3.348 . 0 0 "[ . 1 . 2 .]" 1 880 1 35 ILE HB 1 36 LEU H 3.000 . 3.500 2.435 2.333 2.530 . 0 0 "[ . 1 . 2 .]" 1 881 1 35 ILE HA 1 38 ALA H 4.000 . 5.000 3.343 3.247 3.443 . 0 0 "[ . 1 . 2 .]" 1 882 1 36 LEU H 1 36 LEU MD2 3.000 . 4.000 3.249 2.920 3.464 . 0 0 "[ . 1 . 2 .]" 1 883 1 36 LEU H 1 36 LEU HB3 4.000 . 5.000 3.596 3.583 3.610 . 0 0 "[ . 1 . 2 .]" 1 884 1 36 LEU H 1 36 LEU MD1 3.000 . 4.000 3.548 3.231 3.675 . 0 0 "[ . 1 . 2 .]" 1 885 1 36 LEU H 1 36 LEU HG 3.000 . 3.500 2.123 2.002 2.212 . 0 0 "[ . 1 . 2 .]" 1 886 1 36 LEU H 1 36 LEU HB2 3.000 . 3.500 2.496 2.448 2.558 . 0 0 "[ . 1 . 2 .]" 1 887 1 36 LEU HG 1 37 ALA H 4.000 . 6.000 4.240 4.165 4.319 . 0 0 "[ . 1 . 2 .]" 1 888 1 36 LEU HA 1 37 ALA H 4.000 . 6.000 3.526 3.500 3.543 . 0 0 "[ . 1 . 2 .]" 1 889 1 36 LEU HB2 1 37 ALA H 4.000 . 5.000 2.598 2.513 2.698 . 0 0 "[ . 1 . 2 .]" 1 890 1 36 LEU HB3 1 37 ALA H 4.000 . 5.000 3.634 3.556 3.739 . 0 0 "[ . 1 . 2 .]" 1 891 1 36 LEU H 1 37 ALA MB 4.000 . 5.500 4.347 4.262 4.431 . 0 0 "[ . 1 . 2 .]" 1 892 1 36 LEU HA 1 38 ALA H 4.000 . 5.000 3.650 3.506 3.877 . 0 0 "[ . 1 . 2 .]" 1 893 1 36 LEU HA 1 39 VAL H 4.000 . 6.000 3.767 3.235 4.412 . 0 0 "[ . 1 . 2 .]" 1 894 1 37 ALA H 1 37 ALA MB 2.500 . 3.400 2.217 2.145 2.250 . 0 0 "[ . 1 . 2 .]" 1 895 1 37 ALA MB 1 38 ALA H 2.500 . 3.400 3.063 2.869 3.148 . 0 0 "[ . 1 . 2 .]" 1 896 1 38 ALA H 1 38 ALA MB 2.500 . 3.400 2.200 2.085 2.285 . 0 0 "[ . 1 . 2 .]" 1 897 1 38 ALA H 1 39 VAL QG 3.000 . 4.000 3.791 3.153 4.063 0.063 8 0 "[ . 1 . 2 .]" 1 898 1 38 ALA MB 1 39 VAL H 3.000 . 4.000 3.201 2.916 3.581 . 0 0 "[ . 1 . 2 .]" 1 899 1 38 ALA HA 1 39 VAL H 3.000 . 3.500 3.315 3.037 3.470 . 0 0 "[ . 1 . 2 .]" 1 900 1 39 VAL H 1 39 VAL QG 2.500 . 3.400 2.331 2.024 2.600 . 0 0 "[ . 1 . 2 .]" 1 901 1 39 VAL H 1 39 VAL HB 3.000 . 3.500 2.846 2.442 3.456 . 0 0 "[ . 1 . 2 .]" 1 902 1 39 VAL HB 1 40 GLU H 4.000 . 5.000 4.079 3.669 4.366 . 0 0 "[ . 1 . 2 .]" 1 903 1 39 VAL HA 1 40 GLU H 3.000 . 3.500 3.422 3.324 3.523 0.023 19 0 "[ . 1 . 2 .]" 1 904 1 39 VAL QG 1 40 GLU H 3.000 . 4.000 2.261 1.869 2.612 . 0 0 "[ . 1 . 2 .]" 1 905 1 40 GLU H 1 40 GLU QB 3.000 . 4.000 3.088 2.655 3.290 . 0 0 "[ . 1 . 2 .]" 1 906 1 40 GLU H 1 40 GLU QG 3.000 . 4.000 2.830 2.321 4.187 0.187 13 0 "[ . 1 . 2 .]" 1 907 1 41 ALA H 1 41 ALA MB 2.500 . 3.400 2.958 2.752 3.038 . 0 0 "[ . 1 . 2 .]" 1 908 1 41 ALA HA 1 42 THR H 3.000 . 3.500 2.500 2.293 2.743 . 0 0 "[ . 1 . 2 .]" 1 909 1 41 ALA MB 1 42 THR H 4.000 . 5.500 2.418 2.080 3.705 . 0 0 "[ . 1 . 2 .]" 1 910 1 41 ALA MB 1 43 VAL H 3.000 . 4.000 2.177 1.966 2.790 . 0 0 "[ . 1 . 2 .]" 1 911 1 41 ALA HA 1 43 VAL H 4.000 . 5.000 3.970 3.710 4.133 . 0 0 "[ . 1 . 2 .]" 1 912 1 42 THR H 1 42 THR MG 4.000 . 5.500 2.263 1.950 2.491 . 0 0 "[ . 1 . 2 .]" 1 913 1 42 THR HA 1 43 VAL H 3.000 . 3.500 3.339 3.281 3.507 0.007 19 0 "[ . 1 . 2 .]" 1 914 1 42 THR MG 1 43 VAL H 4.000 . 5.500 4.055 3.745 4.171 . 0 0 "[ . 1 . 2 .]" 1 915 1 43 VAL H 1 43 VAL MG1 3.000 . 4.000 3.112 3.017 3.219 . 0 0 "[ . 1 . 2 .]" 1 916 1 43 VAL H 1 43 VAL MG2 2.500 . 3.400 1.899 1.822 1.972 . 0 0 "[ . 1 . 2 .]" 1 917 1 43 VAL H 1 43 VAL HB 3.000 . 3.500 3.621 3.595 3.644 0.144 11 0 "[ . 1 . 2 .]" 1 918 1 44 PRO HB2 1 45 ILE H 4.000 . 5.000 3.245 3.004 3.399 . 0 0 "[ . 1 . 2 .]" 1 919 1 44 PRO HA 1 45 ILE H 2.500 . 2.900 2.281 2.235 2.350 . 0 0 "[ . 1 . 2 .]" 1 920 1 44 PRO HB3 1 45 ILE H 4.000 . 5.000 3.352 3.136 3.506 . 0 0 "[ . 1 . 2 .]" 1 921 1 45 ILE H 1 45 ILE MG 4.000 . 5.500 3.825 3.800 3.859 . 0 0 "[ . 1 . 2 .]" 1 922 1 45 ILE H 1 45 ILE MD 4.000 . 5.500 1.940 1.750 2.633 0.050 12 0 "[ . 1 . 2 .]" 1 923 1 45 ILE H 1 45 ILE HB 3.000 . 3.500 2.604 2.527 2.694 . 0 0 "[ . 1 . 2 .]" 1 924 1 45 ILE H 1 45 ILE HG13 3.000 . 3.500 3.023 2.700 3.214 . 0 0 "[ . 1 . 2 .]" 1 925 1 45 ILE HA 1 46 SER H 3.000 . 3.500 2.225 2.200 2.272 . 0 0 "[ . 1 . 2 .]" 1 926 1 45 ILE MG 1 46 SER H 3.000 . 4.000 1.991 1.889 2.230 . 0 0 "[ . 1 . 2 .]" 1 927 1 46 SER H 1 46 SER HB3 4.000 . 5.000 2.570 2.446 2.704 . 0 0 "[ . 1 . 2 .]" 1 928 1 46 SER H 1 46 SER HB2 4.000 . 5.000 2.830 2.688 2.944 . 0 0 "[ . 1 . 2 .]" 1 929 1 46 SER HA 1 47 LEU H 2.500 . 2.900 2.165 2.153 2.193 . 0 0 "[ . 1 . 2 .]" 1 930 1 47 LEU H 1 47 LEU HB3 3.000 . 3.500 2.848 2.542 2.981 . 0 0 "[ . 1 . 2 .]" 1 931 1 47 LEU H 1 47 LEU HB2 4.000 . 5.000 2.508 2.439 2.715 . 0 0 "[ . 1 . 2 .]" 1 932 1 47 LEU H 1 47 LEU MD2 4.000 . 5.500 4.120 4.068 4.184 . 0 0 "[ . 1 . 2 .]" 1 933 1 47 LEU HA 1 48 GLN H 3.000 . 3.500 2.146 2.131 2.162 . 0 0 "[ . 1 . 2 .]" 1 934 1 47 LEU MD2 1 48 GLN H 3.000 . 4.000 1.859 1.770 2.259 0.030 7 0 "[ . 1 . 2 .]" 1 935 1 48 GLN H 1 48 GLN HB2 4.000 . 5.000 2.502 2.431 2.743 . 0 0 "[ . 1 . 2 .]" 1 936 1 48 GLN HA 1 49 VAL H 2.500 . 2.900 2.172 2.141 2.215 . 0 0 "[ . 1 . 2 .]" 1 937 1 48 GLN H 1 70 LEU MD1 4.000 . 6.500 6.127 5.850 6.468 . 0 0 "[ . 1 . 2 .]" 1 938 1 49 VAL H 1 49 VAL QG 3.000 . 4.000 2.302 2.138 2.558 . 0 0 "[ . 1 . 2 .]" 1 939 1 49 VAL H 1 49 VAL HB 3.000 . 3.500 2.640 2.589 2.679 . 0 0 "[ . 1 . 2 .]" 1 940 1 49 VAL HA 1 50 ILE H 2.500 . 2.900 2.167 2.143 2.208 . 0 0 "[ . 1 . 2 .]" 1 941 1 50 ILE H 1 50 ILE HB 4.000 . 5.000 2.679 2.622 2.759 . 0 0 "[ . 1 . 2 .]" 1 942 1 50 ILE H 1 50 ILE HG13 3.000 . 3.500 2.550 2.385 2.718 . 0 0 "[ . 1 . 2 .]" 1 943 1 50 ILE H 1 50 ILE MG 3.000 . 4.000 3.856 3.835 3.883 . 0 0 "[ . 1 . 2 .]" 1 944 1 50 ILE MG 1 51 ASN H 3.000 . 4.000 2.602 2.312 2.833 . 0 0 "[ . 1 . 2 .]" 1 945 1 50 ILE HA 1 51 ASN H 2.500 . 2.900 2.167 2.144 2.187 . 0 0 "[ . 1 . 2 .]" 1 946 1 51 ASN H 1 51 ASN HB2 3.000 . 3.500 2.364 2.109 2.743 . 0 0 "[ . 1 . 2 .]" 1 947 1 51 ASN H 1 51 ASN HB3 3.000 . 3.500 3.264 2.426 3.589 0.089 12 0 "[ . 1 . 2 .]" 1 948 1 51 ASN HA 1 52 VAL H 2.500 . 2.900 2.178 2.147 2.224 . 0 0 "[ . 1 . 2 .]" 1 949 1 51 ASN HB2 1 52 VAL H 4.000 . 5.000 4.503 4.369 4.661 . 0 0 "[ . 1 . 2 .]" 1 950 1 51 ASN HB3 1 53 ALA H 4.000 . 6.000 3.239 2.631 4.402 . 0 0 "[ . 1 . 2 .]" 1 951 1 51 ASN HB2 1 53 ALA H 4.000 . 5.000 4.402 3.542 4.934 . 0 0 "[ . 1 . 2 .]" 1 952 1 51 ASN HB2 1 54 ASP H 4.000 . 5.000 3.671 2.997 4.631 . 0 0 "[ . 1 . 2 .]" 1 953 1 52 VAL H 1 52 VAL MG2 2.500 . 3.400 2.158 1.871 2.355 . 0 0 "[ . 1 . 2 .]" 1 954 1 52 VAL H 1 52 VAL HB 4.000 . 5.000 3.587 3.564 3.605 . 0 0 "[ . 1 . 2 .]" 1 955 1 52 VAL H 1 52 VAL MG1 2.500 . 3.400 2.055 1.846 2.331 . 0 0 "[ . 1 . 2 .]" 1 956 1 52 VAL H 1 53 ALA MB 4.000 . 5.500 4.323 4.214 4.415 . 0 0 "[ . 1 . 2 .]" 1 957 1 52 VAL HB 1 53 ALA H 4.000 . 5.000 3.983 3.768 4.208 . 0 0 "[ . 1 . 2 .]" 1 958 1 52 VAL MG1 1 53 ALA H 4.000 . 5.500 3.934 3.763 4.042 . 0 0 "[ . 1 . 2 .]" 1 959 1 52 VAL MG2 1 53 ALA H 2.500 . 3.400 2.108 1.831 2.495 . 0 0 "[ . 1 . 2 .]" 1 960 1 52 VAL HA 1 53 ALA H 4.000 . 5.000 3.462 3.390 3.517 . 0 0 "[ . 1 . 2 .]" 1 961 1 52 VAL HA 1 55 GLN H 4.000 . 5.000 3.187 3.003 3.441 . 0 0 "[ . 1 . 2 .]" 1 962 1 53 ALA H 1 53 ALA MB 2.500 . 3.400 2.141 2.035 2.252 . 0 0 "[ . 1 . 2 .]" 1 963 1 53 ALA HA 1 54 ASP H 4.000 . 5.000 3.443 3.376 3.512 . 0 0 "[ . 1 . 2 .]" 1 964 1 53 ALA MB 1 54 ASP H 3.000 . 4.000 2.974 2.683 3.185 . 0 0 "[ . 1 . 2 .]" 1 965 1 53 ALA MB 1 55 GLN H 4.000 . 5.500 4.666 4.425 5.072 . 0 0 "[ . 1 . 2 .]" 1 966 1 54 ASP H 1 54 ASP QB 2.500 . 3.400 2.394 2.362 2.506 . 0 0 "[ . 1 . 2 .]" 1 967 1 54 ASP HA 1 55 GLN H 4.000 . 6.000 3.504 3.436 3.583 . 0 0 "[ . 1 . 2 .]" 1 968 1 54 ASP QB 1 55 GLN H 4.000 . 5.500 2.802 2.407 3.044 . 0 0 "[ . 1 . 2 .]" 1 969 1 55 GLN H 1 55 GLN HB3 4.000 . 5.000 3.265 2.989 3.478 . 0 0 "[ . 1 . 2 .]" 1 970 1 55 GLN H 1 55 GLN QG 4.000 . 5.500 2.433 1.972 3.591 . 0 0 "[ . 1 . 2 .]" 1 971 1 55 GLN H 1 56 PRO HD3 4.000 . 5.000 2.878 2.548 3.214 . 0 0 "[ . 1 . 2 .]" 1 972 1 55 GLN H 1 56 PRO HD2 4.000 . 6.000 4.304 4.011 4.623 . 0 0 "[ . 1 . 2 .]" 1 973 1 56 PRO HA 1 59 VAL H 4.000 . 6.000 3.354 3.242 3.504 . 0 0 "[ . 1 . 2 .]" 1 974 1 57 GLN H 1 57 GLN HB3 3.000 . 3.500 2.446 2.285 2.648 . 0 0 "[ . 1 . 2 .]" 1 975 1 57 GLN HA 1 58 LEU H 4.000 . 5.000 3.593 3.577 3.617 . 0 0 "[ . 1 . 2 .]" 1 976 1 57 GLN HB3 1 58 LEU H 4.000 . 5.000 2.540 2.342 2.691 . 0 0 "[ . 1 . 2 .]" 1 977 1 57 GLN HG2 1 58 LEU H 4.000 . 6.000 3.423 2.913 3.883 . 0 0 "[ . 1 . 2 .]" 1 978 1 58 LEU H 1 58 LEU MD2 4.000 . 5.500 3.297 2.150 3.578 . 0 0 "[ . 1 . 2 .]" 1 979 1 58 LEU H 1 58 LEU MD1 4.000 . 5.500 2.928 1.753 3.993 0.047 4 0 "[ . 1 . 2 .]" 1 980 1 58 LEU H 1 58 LEU HB2 3.000 . 3.500 3.544 3.517 3.595 0.095 18 0 "[ . 1 . 2 .]" 1 981 1 58 LEU H 1 58 LEU HG 4.000 . 5.000 2.116 1.636 2.750 0.164 18 0 "[ . 1 . 2 .]" 1 982 1 58 LEU H 1 59 VAL MG2 4.000 . 5.500 3.618 3.384 4.157 . 0 0 "[ . 1 . 2 .]" 1 983 1 58 LEU HB2 1 59 VAL H 4.000 . 5.000 3.954 3.736 4.251 . 0 0 "[ . 1 . 2 .]" 1 984 1 58 LEU HA 1 61 TYR H 4.000 . 5.000 3.013 2.800 3.170 . 0 0 "[ . 1 . 2 .]" 1 985 1 59 VAL H 1 59 VAL MG1 4.000 . 5.500 3.730 3.678 3.748 . 0 0 "[ . 1 . 2 .]" 1 986 1 59 VAL H 1 59 VAL MG2 2.500 . 3.400 2.013 1.777 2.527 0.023 11 0 "[ . 1 . 2 .]" 1 987 1 59 VAL H 1 59 VAL HB 3.000 . 3.500 2.531 2.285 2.667 . 0 0 "[ . 1 . 2 .]" 1 988 1 59 VAL HB 1 60 GLU H 4.000 . 5.000 2.469 2.379 2.599 . 0 0 "[ . 1 . 2 .]" 1 989 1 59 VAL HA 1 62 TYR H 4.000 . 6.000 3.672 3.519 3.772 . 0 0 "[ . 1 . 2 .]" 1 990 1 59 VAL MG1 1 65 VAL H 3.000 . 4.000 4.024 3.915 4.101 0.101 18 0 "[ . 1 . 2 .]" 1 991 1 60 GLU H 1 60 GLU QB 2.500 . 3.400 2.387 2.310 2.428 . 0 0 "[ . 1 . 2 .]" 1 992 1 60 GLU H 1 60 GLU HG2 4.000 . 5.000 3.423 2.465 3.585 . 0 0 "[ . 1 . 2 .]" 1 993 1 60 GLU HG2 1 61 TYR H 4.000 . 5.000 4.979 4.470 5.032 0.032 12 0 "[ . 1 . 2 .]" 1 994 1 60 GLU QB 1 61 TYR H 3.000 . 4.000 2.719 2.648 2.805 . 0 0 "[ . 1 . 2 .]" 1 995 1 60 GLU HA 1 63 ARG H 4.000 . 5.000 3.411 3.159 3.523 . 0 0 "[ . 1 . 2 .]" 1 996 1 61 TYR H 1 61 TYR QD 4.000 . 5.000 4.171 4.145 4.183 . 0 0 "[ . 1 . 2 .]" 1 997 1 61 TYR H 1 61 TYR HB3 3.000 . 3.500 2.569 2.465 2.700 . 0 0 "[ . 1 . 2 .]" 1 998 1 61 TYR H 1 61 TYR HB2 3.000 . 3.500 2.506 2.392 2.587 . 0 0 "[ . 1 . 2 .]" 1 999 1 61 TYR HB3 1 62 TYR H 4.000 . 5.000 2.543 2.482 2.594 . 0 0 "[ . 1 . 2 .]" 1 1000 1 61 TYR HB2 1 62 TYR H 4.000 . 5.000 3.833 3.756 3.890 . 0 0 "[ . 1 . 2 .]" 1 1001 1 62 TYR H 1 62 TYR HB2 3.000 . 3.500 2.347 2.312 2.388 . 0 0 "[ . 1 . 2 .]" 1 1002 1 63 ARG H 1 63 ARG QD 4.000 . 5.500 4.148 2.861 4.798 . 0 0 "[ . 1 . 2 .]" 1 1003 1 63 ARG H 1 63 ARG HB3 4.000 . 5.000 4.070 3.999 4.109 . 0 0 "[ . 1 . 2 .]" 1 1004 1 63 ARG H 1 63 ARG QG 3.000 . 4.000 2.698 2.476 2.842 . 0 0 "[ . 1 . 2 .]" 1 1005 1 63 ARG HA 1 64 LEU H 3.000 . 3.500 3.167 3.101 3.214 . 0 0 "[ . 1 . 2 .]" 1 1006 1 64 LEU H 1 64 LEU MD2 4.000 . 5.500 3.650 3.556 3.729 . 0 0 "[ . 1 . 2 .]" 1 1007 1 64 LEU H 1 64 LEU MD1 4.000 . 5.500 4.136 4.072 4.210 . 0 0 "[ . 1 . 2 .]" 1 1008 1 64 LEU H 1 64 LEU HB3 4.000 . 5.000 2.706 2.603 2.760 . 0 0 "[ . 1 . 2 .]" 1 1009 1 64 LEU H 1 64 LEU HG 4.000 . 5.000 4.524 4.488 4.557 . 0 0 "[ . 1 . 2 .]" 1 1010 1 64 LEU H 1 64 LEU HB2 4.000 . 6.000 2.247 2.204 2.296 . 0 0 "[ . 1 . 2 .]" 1 1011 1 64 LEU MD2 1 65 VAL H 3.000 . 4.000 2.881 2.445 4.005 0.005 21 0 "[ . 1 . 2 .]" 1 1012 1 64 LEU HA 1 65 VAL H 3.000 . 3.500 2.256 2.172 2.579 . 0 0 "[ . 1 . 2 .]" 1 1013 1 64 LEU MD2 1 66 VAL H 4.000 . 6.500 2.963 2.660 3.428 . 0 0 "[ . 1 . 2 .]" 1 1014 1 64 LEU HA 1 66 VAL H 4.000 . 5.000 3.509 2.968 3.705 . 0 0 "[ . 1 . 2 .]" 1 1015 1 64 LEU HB3 1 66 VAL H 4.000 . 5.000 4.929 4.616 5.061 0.061 18 0 "[ . 1 . 2 .]" 1 1016 1 65 VAL H 1 65 VAL MG2 2.500 . 3.400 2.542 2.038 3.068 . 0 0 "[ . 1 . 2 .]" 1 1017 1 65 VAL H 1 65 VAL HB 4.000 . 5.000 2.976 2.690 3.219 . 0 0 "[ . 1 . 2 .]" 1 1018 1 65 VAL HB 1 66 VAL H 3.000 . 3.500 3.456 3.353 3.596 0.096 14 0 "[ . 1 . 2 .]" 1 1019 1 65 VAL MG2 1 66 VAL H 3.000 . 4.500 3.828 3.427 4.154 . 0 0 "[ . 1 . 2 .]" 1 1020 1 65 VAL HA 1 66 VAL H 3.000 . 3.500 3.359 3.265 3.417 . 0 0 "[ . 1 . 2 .]" 1 1021 1 66 VAL H 1 66 VAL QG 2.500 . 3.400 1.957 1.851 2.048 . 0 0 "[ . 1 . 2 .]" 1 1022 1 66 VAL H 1 66 VAL HB 3.000 . 3.500 3.654 3.610 3.715 0.215 21 0 "[ . 1 . 2 .]" 1 1023 1 66 VAL HA 1 67 THR H 2.500 . 2.900 2.207 2.175 2.244 . 0 0 "[ . 1 . 2 .]" 1 1024 1 66 VAL HB 1 67 THR H 3.000 . 3.500 2.970 2.852 3.121 . 0 0 "[ . 1 . 2 .]" 1 1025 1 67 THR H 1 67 THR MG 3.000 . 4.000 3.155 3.022 3.319 . 0 0 "[ . 1 . 2 .]" 1 1026 1 67 THR H 1 67 THR HB 4.000 . 5.000 3.801 3.755 3.844 . 0 0 "[ . 1 . 2 .]" 1 1027 1 67 THR MG 1 69 ALA H 4.000 . 5.500 3.580 3.180 4.018 . 0 0 "[ . 1 . 2 .]" 1 1028 1 67 THR HB 1 69 ALA H 4.000 . 5.000 4.196 4.031 4.506 . 0 0 "[ . 1 . 2 .]" 1 1029 1 67 THR HA 1 69 ALA H 3.000 . 3.500 3.195 3.010 3.400 . 0 0 "[ . 1 . 2 .]" 1 1030 1 68 PRO HA 1 69 ALA H 2.500 . 2.900 2.342 2.262 2.432 . 0 0 "[ . 1 . 2 .]" 1 1031 1 68 PRO HB2 1 69 ALA H 4.000 . 5.000 3.063 2.853 3.216 . 0 0 "[ . 1 . 2 .]" 1 1032 1 68 PRO HB3 1 69 ALA H 4.000 . 5.000 3.239 3.131 3.329 . 0 0 "[ . 1 . 2 .]" 1 1033 1 69 ALA H 1 69 ALA MB 3.000 . 4.000 2.634 2.587 2.694 . 0 0 "[ . 1 . 2 .]" 1 1034 1 69 ALA MB 1 70 LEU H 3.000 . 4.000 2.719 2.535 2.928 . 0 0 "[ . 1 . 2 .]" 1 1035 1 69 ALA HA 1 70 LEU H 3.000 . 3.500 2.274 2.196 2.374 . 0 0 "[ . 1 . 2 .]" 1 1036 1 70 LEU H 1 70 LEU HB2 4.000 . 5.000 2.880 2.772 2.973 . 0 0 "[ . 1 . 2 .]" 1 1037 1 70 LEU H 1 70 LEU HB3 4.000 . 5.000 2.799 2.731 2.863 . 0 0 "[ . 1 . 2 .]" 1 1038 1 70 LEU HA 1 71 VAL H 3.000 . 3.500 2.195 2.171 2.219 . 0 0 "[ . 1 . 2 .]" 1 1039 1 70 LEU MD2 1 71 VAL H 4.000 . 5.500 2.144 2.023 2.629 . 0 0 "[ . 1 . 2 .]" 1 1040 1 70 LEU H 1 86 LEU QD 3.000 . 4.000 2.001 1.765 2.462 0.035 8 0 "[ . 1 . 2 .]" 1 1041 1 71 VAL H 1 71 VAL MG2 4.000 . 5.500 2.773 2.619 2.919 . 0 0 "[ . 1 . 2 .]" 1 1042 1 71 VAL MG1 1 72 LYS H 3.000 . 4.000 2.558 2.385 2.670 . 0 0 "[ . 1 . 2 .]" 1 1043 1 71 VAL HA 1 72 LYS H 3.000 . 3.500 2.131 2.114 2.159 . 0 0 "[ . 1 . 2 .]" 1 1044 1 72 LYS H 1 72 LYS HB3 3.000 . 3.500 2.602 2.499 2.742 . 0 0 "[ . 1 . 2 .]" 1 1045 1 72 LYS HA 1 73 ILE H 3.000 . 3.500 2.189 2.175 2.205 . 0 0 "[ . 1 . 2 .]" 1 1046 1 72 LYS HG3 1 74 GLY H 4.000 . 5.500 3.713 3.277 4.156 . 0 0 "[ . 1 . 2 .]" 1 1047 1 72 LYS H 1 80 VAL QG 4.000 . 5.500 4.030 3.463 4.287 . 0 0 "[ . 1 . 2 .]" 1 1048 1 73 ILE H 1 73 ILE MD 4.000 . 5.500 2.094 1.873 2.264 . 0 0 "[ . 1 . 2 .]" 1 1049 1 73 ILE H 1 73 ILE MG 3.000 . 4.000 3.168 3.009 3.255 . 0 0 "[ . 1 . 2 .]" 1 1050 1 73 ILE H 1 73 ILE HG12 4.000 . 5.000 1.766 1.703 2.028 0.097 2 0 "[ . 1 . 2 .]" 1 1051 1 73 ILE H 1 73 ILE HB 4.000 . 5.000 3.532 3.514 3.580 . 0 0 "[ . 1 . 2 .]" 1 1052 1 73 ILE HB 1 74 GLY H 4.000 . 5.000 3.755 3.663 3.942 . 0 0 "[ . 1 . 2 .]" 1 1053 1 73 ILE MD 1 74 GLY H 4.000 . 5.500 3.814 3.609 3.967 . 0 0 "[ . 1 . 2 .]" 1 1054 1 77 SER HB2 1 78 ARG H 3.000 . 3.500 3.575 3.536 3.625 0.125 5 0 "[ . 1 . 2 .]" 1 1055 1 77 SER HA 1 78 ARG H 3.000 . 3.500 2.323 2.263 2.436 . 0 0 "[ . 1 . 2 .]" 1 1056 1 78 ARG H 1 78 ARG HB3 4.000 . 5.000 2.545 2.440 2.628 . 0 0 "[ . 1 . 2 .]" 1 1057 1 78 ARG H 1 78 ARG HG3 4.000 . 5.000 4.520 4.450 4.602 . 0 0 "[ . 1 . 2 .]" 1 1058 1 78 ARG HA 1 79 GLN H 2.500 . 2.900 2.228 2.174 2.289 . 0 0 "[ . 1 . 2 .]" 1 1059 1 79 GLN H 1 79 GLN QG 4.000 . 5.500 3.002 2.812 3.179 . 0 0 "[ . 1 . 2 .]" 1 1060 1 79 GLN HA 1 80 VAL H 2.500 . 2.900 2.290 2.241 2.351 . 0 0 "[ . 1 . 2 .]" 1 1061 1 79 GLN QG 1 80 VAL H 4.000 . 5.500 4.062 3.783 4.544 . 0 0 "[ . 1 . 2 .]" 1 1062 1 80 VAL H 1 80 VAL QG 2.500 . 3.400 2.708 2.492 2.857 . 0 0 "[ . 1 . 2 .]" 1 1063 1 80 VAL H 1 80 VAL HB 3.000 . 3.500 2.671 2.563 2.721 . 0 0 "[ . 1 . 2 .]" 1 1064 1 80 VAL QG 1 81 LEU H 3.000 . 4.000 2.549 2.330 2.896 . 0 0 "[ . 1 . 2 .]" 1 1065 1 80 VAL HA 1 81 LEU H 3.000 . 3.500 2.145 2.125 2.163 . 0 0 "[ . 1 . 2 .]" 1 1066 1 80 VAL QG 1 82 SER H 4.000 . 5.500 4.209 4.031 4.374 . 0 0 "[ . 1 . 2 .]" 1 1067 1 81 LEU H 1 81 LEU MD1 4.000 . 5.500 3.758 3.608 3.887 . 0 0 "[ . 1 . 2 .]" 1 1068 1 81 LEU H 1 81 LEU HG 4.000 . 5.000 2.388 2.277 2.645 . 0 0 "[ . 1 . 2 .]" 1 1069 1 81 LEU MD2 1 82 SER H 3.000 . 4.000 3.864 3.598 3.999 . 0 0 "[ . 1 . 2 .]" 1 1070 1 81 LEU HG 1 82 SER H 4.000 . 6.000 5.171 5.056 5.266 . 0 0 "[ . 1 . 2 .]" 1 1071 1 81 LEU HB2 1 82 SER H 4.000 . 5.000 4.049 3.963 4.114 . 0 0 "[ . 1 . 2 .]" 1 1072 1 81 LEU HB3 1 82 SER H 4.000 . 5.000 3.361 3.274 3.483 . 0 0 "[ . 1 . 2 .]" 1 1073 1 81 LEU HA 1 82 SER H 2.500 . 2.900 2.198 2.171 2.220 . 0 0 "[ . 1 . 2 .]" 1 1074 1 81 LEU MD1 1 90 LEU H 3.000 . 4.000 3.014 2.708 3.430 . 0 0 "[ . 1 . 2 .]" 1 1075 1 81 LEU MD2 1 90 LEU H 3.000 . 4.000 4.045 3.809 4.164 0.164 10 0 "[ . 1 . 2 .]" 1 1076 1 82 SER H 1 82 SER HB3 3.000 . 3.500 2.944 2.900 2.982 . 0 0 "[ . 1 . 2 .]" 1 1077 1 82 SER HB3 1 83 GLY H 3.000 . 3.500 3.493 3.254 3.563 0.063 14 0 "[ . 1 . 2 .]" 1 1078 1 82 SER HA 1 83 GLY H 2.500 . 2.900 2.401 2.346 2.522 . 0 0 "[ . 1 . 2 .]" 1 1079 1 82 SER H 1 86 LEU QD 4.000 . 5.500 3.717 2.766 4.480 . 0 0 "[ . 1 . 2 .]" 1 1080 1 83 GLY HA2 1 84 ILE H 3.000 . 3.500 2.642 2.525 2.748 . 0 0 "[ . 1 . 2 .]" 1 1081 1 83 GLY HA3 1 84 ILE H 3.000 . 3.500 3.551 3.539 3.560 0.060 6 0 "[ . 1 . 2 .]" 1 1082 1 83 GLY H 1 86 LEU QD 4.000 . 5.500 3.105 2.525 3.619 . 0 0 "[ . 1 . 2 .]" 1 1083 1 84 ILE H 1 84 ILE HG12 4.000 . 5.000 3.546 3.385 3.642 . 0 0 "[ . 1 . 2 .]" 1 1084 1 84 ILE H 1 84 ILE MG 3.000 . 4.000 2.278 2.126 2.398 . 0 0 "[ . 1 . 2 .]" 1 1085 1 84 ILE H 1 84 ILE HB 4.000 . 5.000 3.908 3.885 3.952 . 0 0 "[ . 1 . 2 .]" 1 1086 1 84 ILE HG13 1 85 ASP H 3.000 . 3.500 3.408 3.265 3.524 0.024 3 0 "[ . 1 . 2 .]" 1 1087 1 84 ILE HA 1 85 ASP H 3.000 . 3.500 3.230 3.199 3.277 . 0 0 "[ . 1 . 2 .]" 1 1088 1 84 ILE MG 1 85 ASP H 3.000 . 4.000 4.063 4.028 4.108 0.108 6 0 "[ . 1 . 2 .]" 1 1089 1 84 ILE HB 1 85 ASP H 4.000 . 5.000 4.437 4.363 4.478 . 0 0 "[ . 1 . 2 .]" 1 1090 1 84 ILE HA 1 86 LEU H 4.000 . 5.000 3.260 3.103 3.437 . 0 0 "[ . 1 . 2 .]" 1 1091 1 85 ASP H 1 85 ASP HB3 3.000 . 3.500 2.795 2.677 2.876 . 0 0 "[ . 1 . 2 .]" 1 1092 1 85 ASP H 1 85 ASP HB2 4.000 . 5.000 3.686 3.661 3.710 . 0 0 "[ . 1 . 2 .]" 1 1093 1 85 ASP HA 1 86 LEU H 3.000 . 3.500 3.149 3.116 3.202 . 0 0 "[ . 1 . 2 .]" 1 1094 1 85 ASP H 1 86 LEU HB2 4.000 . 6.000 4.934 4.621 5.082 . 0 0 "[ . 1 . 2 .]" 1 1095 1 86 LEU H 1 86 LEU HG 3.000 . 3.500 2.335 1.763 3.380 0.037 14 0 "[ . 1 . 2 .]" 1 1096 1 86 LEU H 1 86 LEU QD 3.000 . 4.000 2.060 1.698 2.840 0.102 5 0 "[ . 1 . 2 .]" 1 1097 1 86 LEU H 1 86 LEU HB3 3.000 . 3.500 3.554 3.529 3.571 0.071 3 0 "[ . 1 . 2 .]" 1 1098 1 86 LEU H 1 86 LEU HB2 3.000 . 3.500 2.636 2.369 2.844 . 0 0 "[ . 1 . 2 .]" 1 1099 1 86 LEU HB3 1 87 THR H 4.000 . 6.000 3.607 3.331 3.925 . 0 0 "[ . 1 . 2 .]" 1 1100 1 86 LEU HB2 1 87 THR H 4.000 . 5.000 2.467 2.353 2.652 . 0 0 "[ . 1 . 2 .]" 1 1101 1 86 LEU HA 1 87 THR H 4.000 . 5.000 3.569 3.550 3.583 . 0 0 "[ . 1 . 2 .]" 1 1102 1 86 LEU QD 1 87 THR H 4.000 . 5.500 3.453 2.838 4.028 . 0 0 "[ . 1 . 2 .]" 1 1103 1 87 THR H 1 87 THR MG 2.500 . 3.400 2.042 1.798 2.268 0.002 21 0 "[ . 1 . 2 .]" 1 1104 1 87 THR MG 1 88 ASP H 4.000 . 5.500 3.822 3.687 3.933 . 0 0 "[ . 1 . 2 .]" 1 1105 1 87 THR HA 1 89 GLN H 4.000 . 6.000 4.656 4.540 4.736 . 0 0 "[ . 1 . 2 .]" 1 1106 1 88 ASP H 1 88 ASP HB3 3.000 . 3.500 3.573 3.567 3.577 0.077 23 0 "[ . 1 . 2 .]" 1 1107 1 88 ASP HA 1 89 GLN H 4.000 . 5.000 3.543 3.506 3.557 . 0 0 "[ . 1 . 2 .]" 1 1108 1 88 ASP HB2 1 89 GLN H 3.000 . 3.500 2.456 2.372 2.590 . 0 0 "[ . 1 . 2 .]" 1 1109 1 88 ASP HA 1 91 ALA H 4.000 . 5.000 3.814 3.608 3.916 . 0 0 "[ . 1 . 2 .]" 1 1110 1 89 GLN H 1 89 GLN HB3 3.000 . 3.500 3.024 2.841 3.515 0.015 15 0 "[ . 1 . 2 .]" 1 1111 1 89 GLN H 1 89 GLN QG 3.000 . 4.000 3.636 2.335 3.851 . 0 0 "[ . 1 . 2 .]" 1 1112 1 89 GLN QG 1 90 LEU H 4.000 . 5.500 4.171 4.007 4.393 . 0 0 "[ . 1 . 2 .]" 1 1113 1 90 LEU H 1 90 LEU HB2 4.000 . 5.000 2.538 2.496 2.586 . 0 0 "[ . 1 . 2 .]" 1 1114 1 90 LEU H 1 90 LEU MD2 4.000 . 5.500 4.253 3.930 4.295 . 0 0 "[ . 1 . 2 .]" 1 1115 1 90 LEU H 1 90 LEU HB3 4.000 . 5.000 2.533 2.498 2.579 . 0 0 "[ . 1 . 2 .]" 1 1116 1 90 LEU HB3 1 91 ALA H 4.000 . 5.000 2.437 2.202 2.506 . 0 0 "[ . 1 . 2 .]" 1 1117 1 90 LEU HB2 1 91 ALA H 4.000 . 5.000 3.808 3.648 3.853 . 0 0 "[ . 1 . 2 .]" 1 1118 1 91 ALA H 1 91 ALA MB 2.500 . 3.400 2.187 2.031 2.241 . 0 0 "[ . 1 . 2 .]" 1 1119 1 91 ALA MB 1 92 ASN H 3.000 . 4.000 2.664 2.531 2.814 . 0 0 "[ . 1 . 2 .]" 1 1120 1 91 ALA HA 1 92 ASN H 4.000 . 5.000 3.514 3.478 3.543 . 0 0 "[ . 1 . 2 .]" 1 1121 1 92 ASN H 1 92 ASN HB2 2.500 . 2.900 2.315 2.244 2.378 . 0 0 "[ . 1 . 2 .]" 1 1122 1 92 ASN HA 1 93 GLN H 4.000 . 5.000 3.518 3.506 3.542 . 0 0 "[ . 1 . 2 .]" 1 1123 1 92 ASN HB3 1 93 GLN H 3.000 . 3.500 3.579 3.539 3.599 0.099 25 0 "[ . 1 . 2 .]" 1 1124 1 92 ASN HA 1 94 LEU H 4.000 . 6.000 4.506 4.302 4.699 . 0 0 "[ . 1 . 2 .]" 1 1125 1 93 GLN H 1 93 GLN HB2 3.000 . 3.500 2.379 2.328 2.562 . 0 0 "[ . 1 . 2 .]" 1 1126 1 93 GLN H 1 93 GLN HG3 4.000 . 5.000 3.662 3.192 3.797 . 0 0 "[ . 1 . 2 .]" 1 1127 1 93 GLN H 1 93 GLN HG2 3.000 . 3.500 2.366 2.248 2.470 . 0 0 "[ . 1 . 2 .]" 1 1128 1 93 GLN HB2 1 94 LEU H 4.000 . 5.000 2.758 2.612 2.902 . 0 0 "[ . 1 . 2 .]" 1 1129 1 93 GLN HA 1 94 LEU H 4.000 . 5.000 3.525 3.502 3.547 . 0 0 "[ . 1 . 2 .]" 1 1130 1 93 GLN H 1 95 PRO HD2 4.000 . 5.000 3.504 3.402 3.623 . 0 0 "[ . 1 . 2 .]" 1 1131 1 93 GLN HB3 1 97 TRP HE1 4.000 . 5.000 2.080 1.851 2.356 . 0 0 "[ . 1 . 2 .]" 1 1132 1 94 LEU H 1 94 LEU HG 4.000 . 5.000 4.310 4.250 4.353 . 0 0 "[ . 1 . 2 .]" 1 1133 1 94 LEU H 1 94 LEU HB3 3.000 . 3.500 2.356 2.290 2.414 . 0 0 "[ . 1 . 2 .]" 1 1134 1 94 LEU H 1 94 LEU HB2 3.000 . 3.500 2.716 2.678 2.756 . 0 0 "[ . 1 . 2 .]" 1 1135 1 94 LEU H 1 95 PRO HD3 3.000 . 3.500 3.517 3.464 3.547 0.047 14 0 "[ . 1 . 2 .]" 1 1136 1 94 LEU H 1 95 PRO HD2 4.000 . 5.000 2.195 2.173 2.216 . 0 0 "[ . 1 . 2 .]" 1 1137 1 94 LEU HA 1 98 LEU H 4.000 . 6.000 4.533 4.263 4.994 . 0 0 "[ . 1 . 2 .]" 1 1138 1 95 PRO HA 1 96 GLN H 4.000 . 5.000 3.558 3.545 3.578 . 0 0 "[ . 1 . 2 .]" 1 1139 1 95 PRO HD3 1 96 GLN H 4.000 . 5.000 4.190 4.127 4.255 . 0 0 "[ . 1 . 2 .]" 1 1140 1 96 GLN H 1 96 GLN QB 2.500 . 3.400 2.433 2.403 2.455 . 0 0 "[ . 1 . 2 .]" 1 1141 1 96 GLN H 1 96 GLN QG 3.000 . 4.000 2.072 2.015 2.183 . 0 0 "[ . 1 . 2 .]" 1 1142 1 96 GLN QB 1 97 TRP H 3.000 . 4.000 2.668 2.581 2.721 . 0 0 "[ . 1 . 2 .]" 1 1143 1 96 GLN QG 1 97 TRP H 3.000 . 4.000 4.039 4.015 4.069 0.069 7 0 "[ . 1 . 2 .]" 1 1144 1 96 GLN HA 1 99 VAL H 4.000 . 5.000 3.307 2.983 3.530 . 0 0 "[ . 1 . 2 .]" 1 1145 1 97 TRP HA 1 97 TRP HE1 4.000 . 5.000 4.665 4.595 4.748 . 0 0 "[ . 1 . 2 .]" 1 1146 1 97 TRP H 1 97 TRP HB3 4.000 . 5.000 3.592 3.580 3.607 . 0 0 "[ . 1 . 2 .]" 1 1147 1 97 TRP H 1 97 TRP HB2 3.000 . 3.500 2.549 2.506 2.612 . 0 0 "[ . 1 . 2 .]" 1 1148 1 97 TRP H 1 97 TRP HD1 4.000 . 5.000 2.576 2.419 2.772 . 0 0 "[ . 1 . 2 .]" 1 1149 1 98 LEU H 1 98 LEU HG 3.000 . 3.500 2.129 1.896 2.396 . 0 0 "[ . 1 . 2 .]" 1 1150 1 98 LEU H 1 98 LEU MD2 4.000 . 5.500 3.197 2.683 3.705 . 0 0 "[ . 1 . 2 .]" 1 1151 1 98 LEU H 1 98 LEU HB2 3.000 . 3.500 2.482 2.363 2.588 . 0 0 "[ . 1 . 2 .]" 1 1152 1 98 LEU H 1 98 LEU HB3 3.000 . 3.500 3.576 3.559 3.613 0.113 18 0 "[ . 1 . 2 .]" 1 1153 1 98 LEU HA 1 99 VAL H 3.000 . 3.500 3.504 3.374 3.549 0.049 5 0 "[ . 1 . 2 .]" 1 1154 1 98 LEU HB2 1 99 VAL H 4.000 . 5.000 2.680 2.526 3.223 . 0 0 "[ . 1 . 2 .]" 1 1155 1 98 LEU HB3 1 99 VAL H 4.000 . 5.000 3.767 3.498 4.182 . 0 0 "[ . 1 . 2 .]" 1 1156 1 98 LEU H 1 99 VAL MG2 4.000 . 5.500 3.991 3.529 4.211 . 0 0 "[ . 1 . 2 .]" 1 1157 1 99 VAL H 1 99 VAL QG 2.500 . 3.400 2.275 2.083 2.564 . 0 0 "[ . 1 . 2 .]" 1 1158 1 99 VAL H 1 99 VAL HB 2.500 . 2.900 2.447 2.360 2.577 . 0 0 "[ . 1 . 2 .]" 1 1159 1 99 VAL HB 1 100 GLN H 4.000 . 5.000 2.887 2.399 4.116 . 0 0 "[ . 1 . 2 .]" 1 1160 1 99 VAL HA 1 100 GLN H 3.000 . 3.500 3.445 2.939 3.569 0.069 15 0 "[ . 1 . 2 .]" 1 1161 1 99 VAL MG2 1 100 GLN H 4.000 . 5.500 3.958 3.820 4.259 . 0 0 "[ . 1 . 2 .]" 1 1162 1 100 GLN H 1 100 GLN QB 2.500 . 3.400 3.062 2.377 3.363 . 0 0 "[ . 1 . 2 .]" 1 1163 1 100 GLN H 1 100 GLN QG 3.000 . 4.000 2.467 1.858 2.791 . 0 0 "[ . 1 . 2 .]" 1 1164 1 100 GLN HA 1 101 GLN H 2.500 . 2.900 2.593 2.153 3.025 0.125 22 0 "[ . 1 . 2 .]" 1 1165 1 101 GLN H 1 101 GLN HB2 3.000 . 3.500 2.805 2.434 3.525 0.025 18 0 "[ . 1 . 2 .]" 1 1166 1 101 GLN H 1 101 GLN QG 2.500 . 3.400 2.589 1.862 3.248 . 0 0 "[ . 1 . 2 .]" 1 1167 1 10 ALA H 1 43 VAL MG1 4.000 . 5.500 4.801 3.456 5.522 0.022 24 0 "[ . 1 . 2 .]" 1 1168 1 11 GLN H 1 11 GLN HB2 3.000 . 3.500 2.571 2.263 2.842 . 0 0 "[ . 1 . 2 .]" 1 1169 1 11 GLN H 1 11 GLN QG 3.000 . 4.000 2.313 1.825 3.427 . 0 0 "[ . 1 . 2 .]" 1 1170 1 11 GLN HE21 1 14 LEU MD2 4.000 . 5.500 5.109 4.397 5.497 . 0 0 "[ . 1 . 2 .]" 1 1171 1 11 GLN H 1 43 VAL MG1 4.000 . 5.500 5.216 3.865 5.535 0.035 24 0 "[ . 1 . 2 .]" 1 1172 1 11 GLN H 1 75 PRO HB3 4.000 . 6.000 5.582 4.831 6.048 0.048 19 0 "[ . 1 . 2 .]" 1 1173 1 12 PRO HB3 1 13 LEU H 4.000 . 5.000 3.239 3.042 3.401 . 0 0 "[ . 1 . 2 .]" 1 1174 1 12 PRO HB3 1 46 SER H 4.000 . 5.000 4.798 4.302 5.019 0.019 23 0 "[ . 1 . 2 .]" 1 1175 1 13 LEU H 1 13 LEU MD2 3.000 . 4.000 4.070 4.040 4.105 0.105 1 0 "[ . 1 . 2 .]" 1 1176 1 13 LEU HB3 1 14 LEU H 4.000 . 5.000 4.025 3.947 4.123 . 0 0 "[ . 1 . 2 .]" 1 1177 1 13 LEU HB2 1 14 LEU H 4.000 . 5.000 4.334 4.259 4.404 . 0 0 "[ . 1 . 2 .]" 1 1178 1 13 LEU H 1 14 LEU H 4.000 . 6.000 4.549 4.489 4.595 . 0 0 "[ . 1 . 2 .]" 1 1179 1 13 LEU MD1 1 15 LEU H 4.000 . 5.500 5.534 5.439 5.599 0.099 22 0 "[ . 1 . 2 .]" 1 1180 1 13 LEU H 1 45 ILE HA 4.000 . 5.000 2.612 1.985 2.859 . 0 0 "[ . 1 . 2 .]" 1 1181 1 13 LEU MD2 1 46 SER H 3.000 . 4.000 3.448 3.305 3.755 . 0 0 "[ . 1 . 2 .]" 1 1182 1 13 LEU HB3 1 46 SER H 4.000 . 5.000 3.285 3.059 3.531 . 0 0 "[ . 1 . 2 .]" 1 1183 1 13 LEU MD1 1 46 SER H 4.000 . 5.500 4.992 4.874 5.178 . 0 0 "[ . 1 . 2 .]" 1 1184 1 13 LEU HB2 1 46 SER H 4.000 . 5.000 4.784 4.456 4.973 . 0 0 "[ . 1 . 2 .]" 1 1185 1 13 LEU MD2 1 74 GLY H 4.000 . 5.500 3.137 2.915 3.269 . 0 0 "[ . 1 . 2 .]" 1 1186 1 14 LEU H 1 14 LEU HB3 3.000 . 3.500 3.627 3.587 3.644 0.144 22 0 "[ . 1 . 2 .]" 1 1187 1 14 LEU H 1 14 LEU MD2 3.000 . 4.000 2.989 1.912 3.267 . 0 0 "[ . 1 . 2 .]" 1 1188 1 14 LEU H 1 14 LEU MD1 3.000 . 4.000 3.880 3.791 4.009 0.009 8 0 "[ . 1 . 2 .]" 1 1189 1 14 LEU H 1 15 LEU H 4.000 . 6.000 4.296 4.216 4.344 . 0 0 "[ . 1 . 2 .]" 1 1190 1 14 LEU HB2 1 15 LEU H 4.000 . 5.000 4.327 4.283 4.450 . 0 0 "[ . 1 . 2 .]" 1 1191 1 14 LEU HG 1 15 LEU H 4.000 . 6.000 5.260 5.155 5.721 . 0 0 "[ . 1 . 2 .]" 1 1192 1 14 LEU HA 1 46 SER H 3.000 . 3.500 3.455 3.133 3.605 0.105 12 0 "[ . 1 . 2 .]" 1 1193 1 14 LEU MD2 1 46 SER H 4.000 . 5.500 3.686 3.455 3.843 . 0 0 "[ . 1 . 2 .]" 1 1194 1 14 LEU H 1 73 ILE H 4.000 . 6.000 4.764 4.616 4.913 . 0 0 "[ . 1 . 2 .]" 1 1195 1 14 LEU HB2 1 73 ILE H 4.000 . 6.000 3.612 3.434 3.748 . 0 0 "[ . 1 . 2 .]" 1 1196 1 14 LEU H 1 74 GLY H 3.000 . 3.500 3.597 3.540 3.660 0.160 12 0 "[ . 1 . 2 .]" 1 1197 1 14 LEU HB3 1 74 GLY H 4.000 . 5.000 4.602 4.166 4.990 . 0 0 "[ . 1 . 2 .]" 1 1198 1 14 LEU HG 1 74 GLY H 4.000 . 6.000 4.923 4.489 5.347 . 0 0 "[ . 1 . 2 .]" 1 1199 1 14 LEU H 1 75 PRO HD2 4.000 . 5.000 3.444 3.019 4.409 . 0 0 "[ . 1 . 2 .]" 1 1200 1 14 LEU H 1 75 PRO HD3 4.000 . 5.000 2.852 2.390 3.275 . 0 0 "[ . 1 . 2 .]" 1 1201 1 15 LEU H 1 15 LEU HB3 4.000 . 5.000 2.755 2.722 2.813 . 0 0 "[ . 1 . 2 .]" 1 1202 1 15 LEU H 1 15 LEU HB2 4.000 . 5.000 2.859 2.757 2.969 . 0 0 "[ . 1 . 2 .]" 1 1203 1 15 LEU H 1 15 LEU MD1 3.000 . 4.000 4.008 3.949 4.032 0.032 13 0 "[ . 1 . 2 .]" 1 1204 1 15 LEU H 1 16 GLN H 4.000 . 5.000 4.383 4.338 4.423 . 0 0 "[ . 1 . 2 .]" 1 1205 1 15 LEU HB2 1 16 GLN H 4.000 . 5.000 4.375 4.338 4.400 . 0 0 "[ . 1 . 2 .]" 1 1206 1 15 LEU H 1 45 ILE HA 4.000 . 6.000 5.249 4.988 5.456 . 0 0 "[ . 1 . 2 .]" 1 1207 1 15 LEU H 1 45 ILE MG 3.000 . 4.000 3.182 3.117 3.326 . 0 0 "[ . 1 . 2 .]" 1 1208 1 15 LEU H 1 46 SER H 4.000 . 5.000 3.471 3.256 3.667 . 0 0 "[ . 1 . 2 .]" 1 1209 1 15 LEU H 1 46 SER HB3 4.000 . 5.000 3.328 2.976 3.615 . 0 0 "[ . 1 . 2 .]" 1 1210 1 15 LEU H 1 47 LEU HA 4.000 . 5.000 3.625 3.424 4.142 . 0 0 "[ . 1 . 2 .]" 1 1211 1 15 LEU H 1 48 GLN H 4.000 . 5.000 4.291 4.109 4.431 . 0 0 "[ . 1 . 2 .]" 1 1212 1 15 LEU MD1 1 48 GLN H 4.000 . 5.500 3.409 3.228 3.587 . 0 0 "[ . 1 . 2 .]" 1 1213 1 15 LEU H 1 48 GLN HB2 4.000 . 5.000 4.853 4.679 5.055 0.055 16 0 "[ . 1 . 2 .]" 1 1214 1 15 LEU MD2 1 72 LYS H 3.000 . 4.000 3.626 3.349 3.898 . 0 0 "[ . 1 . 2 .]" 1 1215 1 15 LEU HA 1 73 ILE H 4.000 . 5.000 3.341 3.046 3.560 . 0 0 "[ . 1 . 2 .]" 1 1216 1 16 GLN H 1 16 GLN HB2 3.000 . 3.500 2.593 2.535 2.667 . 0 0 "[ . 1 . 2 .]" 1 1217 1 16 GLN HB3 1 17 LEU H 4.000 . 5.000 2.682 2.540 3.214 . 0 0 "[ . 1 . 2 .]" 1 1218 1 16 GLN HB2 1 17 LEU H 4.000 . 5.000 3.948 3.817 4.280 . 0 0 "[ . 1 . 2 .]" 1 1219 1 16 GLN HG2 1 17 LEU H 4.000 . 5.000 3.654 3.524 3.824 . 0 0 "[ . 1 . 2 .]" 1 1220 1 16 GLN HA 1 48 GLN H 4.000 . 5.000 2.291 2.092 2.722 . 0 0 "[ . 1 . 2 .]" 1 1221 1 16 GLN HG2 1 48 GLN H 4.000 . 5.000 3.251 2.828 3.999 . 0 0 "[ . 1 . 2 .]" 1 1222 1 16 GLN H 1 48 GLN H 4.000 . 5.000 4.577 4.380 4.762 . 0 0 "[ . 1 . 2 .]" 1 1223 1 16 GLN HG2 1 49 VAL H 4.000 . 5.000 5.100 5.068 5.158 0.158 6 0 "[ . 1 . 2 .]" 1 1224 1 16 GLN H 1 70 LEU HG 4.000 . 5.000 4.247 4.107 4.473 . 0 0 "[ . 1 . 2 .]" 1 1225 1 16 GLN H 1 71 VAL H 3.000 . 3.500 3.497 3.409 3.541 0.041 22 0 "[ . 1 . 2 .]" 1 1226 1 16 GLN HA 1 71 VAL H 4.000 . 6.000 4.945 4.870 5.045 . 0 0 "[ . 1 . 2 .]" 1 1227 1 16 GLN H 1 71 VAL HA 4.000 . 5.000 5.093 5.061 5.133 0.133 17 0 "[ . 1 . 2 .]" 1 1228 1 16 GLN H 1 72 LYS HA 4.000 . 5.000 3.235 3.079 3.388 . 0 0 "[ . 1 . 2 .]" 1 1229 1 16 GLN H 1 73 ILE H 4.000 . 5.000 4.258 3.979 4.450 . 0 0 "[ . 1 . 2 .]" 1 1230 1 17 LEU H 1 17 LEU HG 4.000 . 6.000 4.400 4.350 4.446 . 0 0 "[ . 1 . 2 .]" 1 1231 1 17 LEU HG 1 18 PHE H 4.000 . 6.000 2.668 2.386 2.920 . 0 0 "[ . 1 . 2 .]" 1 1232 1 17 LEU HB3 1 18 PHE H 4.000 . 6.000 4.173 4.081 4.238 . 0 0 "[ . 1 . 2 .]" 1 1233 1 17 LEU HB2 1 18 PHE H 4.000 . 5.000 4.241 4.169 4.328 . 0 0 "[ . 1 . 2 .]" 1 1234 1 17 LEU H 1 48 GLN H 4.000 . 6.000 3.805 3.418 4.183 . 0 0 "[ . 1 . 2 .]" 1 1235 1 17 LEU H 1 49 VAL HA 4.000 . 5.000 2.502 2.183 2.638 . 0 0 "[ . 1 . 2 .]" 1 1236 1 17 LEU HB2 1 50 ILE H 4.000 . 6.000 5.559 5.316 5.801 . 0 0 "[ . 1 . 2 .]" 1 1237 1 17 LEU HB3 1 50 ILE H 4.000 . 5.000 4.167 3.883 4.425 . 0 0 "[ . 1 . 2 .]" 1 1238 1 17 LEU MD1 1 70 LEU H 4.000 . 5.500 3.457 3.256 3.663 . 0 0 "[ . 1 . 2 .]" 1 1239 1 17 LEU HA 1 71 VAL H 4.000 . 5.000 3.135 3.018 3.274 . 0 0 "[ . 1 . 2 .]" 1 1240 1 18 PHE HB2 1 19 VAL H 4.000 . 5.000 4.381 4.309 4.438 . 0 0 "[ . 1 . 2 .]" 1 1241 1 18 PHE HB3 1 19 VAL H 4.000 . 5.000 3.471 3.354 3.553 . 0 0 "[ . 1 . 2 .]" 1 1242 1 18 PHE QD 1 52 VAL H 4.000 . 5.000 4.053 3.718 4.538 . 0 0 "[ . 1 . 2 .]" 1 1243 1 18 PHE QE 1 58 LEU H 4.000 . 5.000 5.084 4.966 5.186 0.186 3 0 "[ . 1 . 2 .]" 1 1244 1 18 PHE H 1 64 LEU MD1 4.000 . 6.500 5.420 4.543 5.712 . 0 0 "[ . 1 . 2 .]" 1 1245 1 18 PHE H 1 69 ALA H 3.000 . 3.500 3.177 2.824 3.398 . 0 0 "[ . 1 . 2 .]" 1 1246 1 18 PHE QD 1 69 ALA H 4.000 . 5.000 4.752 4.274 5.082 0.082 12 0 "[ . 1 . 2 .]" 1 1247 1 18 PHE H 1 70 LEU HA 4.000 . 5.000 3.049 2.807 3.317 . 0 0 "[ . 1 . 2 .]" 1 1248 1 18 PHE H 1 70 LEU MD2 4.000 . 5.500 5.285 5.036 5.485 . 0 0 "[ . 1 . 2 .]" 1 1249 1 18 PHE H 1 71 VAL H 4.000 . 5.000 4.278 4.008 4.551 . 0 0 "[ . 1 . 2 .]" 1 1250 1 18 PHE H 1 86 LEU QD 4.000 . 5.500 4.354 4.114 4.634 . 0 0 "[ . 1 . 2 .]" 1 1251 1 19 VAL H 1 19 VAL HB 4.000 . 5.000 3.860 3.833 3.892 . 0 0 "[ . 1 . 2 .]" 1 1252 1 19 VAL MG1 1 20 ASP H 3.000 . 4.000 3.906 3.772 4.007 0.007 6 0 "[ . 1 . 2 .]" 1 1253 1 19 VAL H 1 20 ASP H 4.000 . 5.000 4.451 4.425 4.476 . 0 0 "[ . 1 . 2 .]" 1 1254 1 19 VAL MG2 1 25 SER H 4.000 . 6.500 5.752 5.476 6.082 . 0 0 "[ . 1 . 2 .]" 1 1255 1 19 VAL MG1 1 25 SER H 4.000 . 5.500 4.950 4.619 5.270 . 0 0 "[ . 1 . 2 .]" 1 1256 1 19 VAL HB 1 25 SER H 4.000 . 5.000 4.733 4.566 4.952 . 0 0 "[ . 1 . 2 .]" 1 1257 1 19 VAL MG1 1 26 GLN H 4.000 . 5.500 4.655 4.293 4.909 . 0 0 "[ . 1 . 2 .]" 1 1258 1 19 VAL H 1 50 ILE H 3.000 . 3.500 3.563 3.491 3.631 0.131 8 0 "[ . 1 . 2 .]" 1 1259 1 19 VAL H 1 51 ASN H 4.000 . 5.000 5.005 4.899 5.089 0.089 14 0 "[ . 1 . 2 .]" 1 1260 1 19 VAL MG2 1 51 ASN HD21 4.000 . 5.500 3.873 2.312 5.502 0.002 8 0 "[ . 1 . 2 .]" 1 1261 1 19 VAL MG2 1 51 ASN HD22 4.000 . 5.500 3.841 2.543 5.329 . 0 0 "[ . 1 . 2 .]" 1 1262 1 19 VAL H 1 52 VAL H 3.000 . 3.500 3.210 3.023 3.318 . 0 0 "[ . 1 . 2 .]" 1 1263 1 19 VAL MG2 1 53 ALA H 4.000 . 5.500 5.281 5.105 5.491 . 0 0 "[ . 1 . 2 .]" 1 1264 1 19 VAL H 1 53 ALA H 4.000 . 6.000 5.723 5.557 5.902 . 0 0 "[ . 1 . 2 .]" 1 1265 1 19 VAL HA 1 69 ALA H 4.000 . 5.000 4.008 3.699 4.298 . 0 0 "[ . 1 . 2 .]" 1 1266 1 20 ASP H 1 20 ASP HB3 4.000 . 5.000 2.846 2.731 3.492 . 0 0 "[ . 1 . 2 .]" 1 1267 1 20 ASP HB3 1 21 THR H 4.000 . 5.000 4.472 4.433 4.591 . 0 0 "[ . 1 . 2 .]" 1 1268 1 20 ASP H 1 22 ARG H 4.000 . 6.000 3.000 2.732 3.114 . 0 0 "[ . 1 . 2 .]" 1 1269 1 20 ASP HB3 1 22 ARG H 4.000 . 5.000 4.565 4.399 4.911 . 0 0 "[ . 1 . 2 .]" 1 1270 1 20 ASP HB2 1 22 ARG H 4.000 . 5.000 4.256 4.017 4.546 . 0 0 "[ . 1 . 2 .]" 1 1271 1 20 ASP H 1 25 SER QB 4.000 . 5.500 3.502 3.161 3.888 . 0 0 "[ . 1 . 2 .]" 1 1272 1 20 ASP H 1 52 VAL MG2 4.000 . 5.500 3.798 3.487 4.309 . 0 0 "[ . 1 . 2 .]" 1 1273 1 20 ASP H 1 67 THR MG 4.000 . 5.500 4.349 4.008 4.615 . 0 0 "[ . 1 . 2 .]" 1 1274 1 21 THR H 1 22 ARG H 4.000 . 6.000 2.596 2.477 2.980 . 0 0 "[ . 1 . 2 .]" 1 1275 1 21 THR MG 1 51 ASN HD21 3.000 . 3.800 2.876 1.795 3.823 0.023 8 0 "[ . 1 . 2 .]" 1 1276 1 21 THR MG 1 51 ASN HD22 3.000 . 3.800 2.581 1.774 3.518 0.026 6 0 "[ . 1 . 2 .]" 1 1277 1 21 THR H 1 52 VAL MG2 4.000 . 6.500 4.601 4.405 4.876 . 0 0 "[ . 1 . 2 .]" 1 1278 1 21 THR MG 1 52 VAL H 4.000 . 6.500 4.778 4.449 6.127 . 0 0 "[ . 1 . 2 .]" 1 1279 1 21 THR MG 1 53 ALA H 4.000 . 5.500 4.203 3.797 5.104 . 0 0 "[ . 1 . 2 .]" 1 1280 1 22 ARG H 1 22 ARG QG 3.000 . 4.000 2.138 1.798 3.289 0.002 5 0 "[ . 1 . 2 .]" 1 1281 1 22 ARG H 1 22 ARG HD2 4.000 . 5.000 3.952 3.300 4.950 . 0 0 "[ . 1 . 2 .]" 1 1282 1 22 ARG H 1 23 PRO HD2 4.000 . 5.000 4.791 4.741 4.920 . 0 0 "[ . 1 . 2 .]" 1 1283 1 22 ARG QB 1 25 SER H 3.000 . 4.000 3.772 3.524 3.940 . 0 0 "[ . 1 . 2 .]" 1 1284 1 22 ARG QG 1 25 SER H 3.000 . 3.500 1.817 1.711 2.665 0.089 4 0 "[ . 1 . 2 .]" 1 1285 1 22 ARG H 1 25 SER H 4.000 . 6.000 4.326 4.193 4.914 . 0 0 "[ . 1 . 2 .]" 1 1286 1 23 PRO HD2 1 25 SER H 4.000 . 5.000 4.961 4.845 5.083 0.083 3 0 "[ . 1 . 2 .]" 1 1287 1 24 LEU MD2 1 25 SER H 3.000 . 4.000 4.023 3.953 4.071 0.071 14 0 "[ . 1 . 2 .]" 1 1288 1 24 LEU H 1 25 SER H 4.000 . 6.000 2.793 2.733 2.833 . 0 0 "[ . 1 . 2 .]" 1 1289 1 25 SER QB 1 26 GLN H 3.000 . 4.000 2.887 2.417 3.389 . 0 0 "[ . 1 . 2 .]" 1 1290 1 25 SER HA 1 26 GLN H 4.000 . 5.000 3.544 3.534 3.557 . 0 0 "[ . 1 . 2 .]" 1 1291 1 25 SER H 1 26 GLN QG 4.000 . 5.500 4.272 3.973 5.255 . 0 0 "[ . 1 . 2 .]" 1 1292 1 25 SER HA 1 27 HIS H 4.000 . 5.000 4.078 3.961 4.143 . 0 0 "[ . 1 . 2 .]" 1 1293 1 25 SER HA 1 28 ILE H 4.000 . 5.000 3.243 3.069 3.374 . 0 0 "[ . 1 . 2 .]" 1 1294 1 25 SER H 1 28 ILE HB 4.000 . 5.000 5.064 5.007 5.127 0.127 22 0 "[ . 1 . 2 .]" 1 1295 1 25 SER HA 1 29 VAL H 4.000 . 5.000 3.787 3.609 4.067 . 0 0 "[ . 1 . 2 .]" 1 1296 1 26 GLN H 1 27 HIS H 4.000 . 5.000 2.422 2.392 2.454 . 0 0 "[ . 1 . 2 .]" 1 1297 1 26 GLN H 1 27 HIS QB 4.000 . 6.500 4.019 3.970 4.062 . 0 0 "[ . 1 . 2 .]" 1 1298 1 26 GLN HA 1 28 ILE H 4.000 . 5.000 4.656 4.462 4.774 . 0 0 "[ . 1 . 2 .]" 1 1299 1 26 GLN H 1 29 VAL H 4.000 . 6.000 4.397 4.354 4.443 . 0 0 "[ . 1 . 2 .]" 1 1300 1 26 GLN HA 1 29 VAL H 3.000 . 3.500 3.290 3.134 3.386 . 0 0 "[ . 1 . 2 .]" 1 1301 1 26 GLN H 1 29 VAL MG2 4.000 . 6.500 3.822 3.718 4.048 . 0 0 "[ . 1 . 2 .]" 1 1302 1 26 GLN HA 1 30 GLN H 4.000 . 5.000 4.233 3.965 4.359 . 0 0 "[ . 1 . 2 .]" 1 1303 1 27 HIS HA 1 29 VAL H 4.000 . 6.000 4.328 4.243 4.456 . 0 0 "[ . 1 . 2 .]" 1 1304 1 27 HIS H 1 29 VAL HB 4.000 . 6.000 4.591 4.474 4.743 . 0 0 "[ . 1 . 2 .]" 1 1305 1 27 HIS HA 1 30 GLN H 4.000 . 5.000 3.795 3.669 3.930 . 0 0 "[ . 1 . 2 .]" 1 1306 1 27 HIS HA 1 31 ARG H 4.000 . 5.000 4.821 4.750 4.907 . 0 0 "[ . 1 . 2 .]" 1 1307 1 28 ILE H 1 29 VAL H 3.000 . 3.500 2.592 2.565 2.622 . 0 0 "[ . 1 . 2 .]" 1 1308 1 28 ILE H 1 30 GLN H 4.000 . 5.000 4.340 4.265 4.438 . 0 0 "[ . 1 . 2 .]" 1 1309 1 28 ILE HA 1 32 VAL H 4.000 . 5.000 4.013 3.909 4.151 . 0 0 "[ . 1 . 2 .]" 1 1310 1 28 ILE H 1 68 PRO QG 4.000 . 5.500 4.836 4.525 5.172 . 0 0 "[ . 1 . 2 .]" 1 1311 1 28 ILE MG 1 84 ILE H 4.000 . 5.500 5.373 5.177 5.538 0.038 25 0 "[ . 1 . 2 .]" 1 1312 1 28 ILE MG 1 87 THR H 4.000 . 5.500 3.419 3.132 3.801 . 0 0 "[ . 1 . 2 .]" 1 1313 1 29 VAL H 1 30 GLN H 3.000 . 3.500 2.760 2.703 2.809 . 0 0 "[ . 1 . 2 .]" 1 1314 1 29 VAL MG1 1 30 GLN H 3.000 . 4.000 3.185 3.076 3.353 . 0 0 "[ . 1 . 2 .]" 1 1315 1 29 VAL HA 1 30 GLN H 3.000 . 3.500 3.553 3.540 3.564 0.064 11 0 "[ . 1 . 2 .]" 1 1316 1 29 VAL HA 1 31 ARG H 4.000 . 5.000 4.367 4.255 4.438 . 0 0 "[ . 1 . 2 .]" 1 1317 1 29 VAL H 1 32 VAL H 4.000 . 5.000 4.507 4.444 4.599 . 0 0 "[ . 1 . 2 .]" 1 1318 1 29 VAL MG2 1 32 VAL H 4.000 . 5.500 4.906 4.849 5.007 . 0 0 "[ . 1 . 2 .]" 1 1319 1 29 VAL HA 1 32 VAL H 3.000 . 3.500 3.220 3.104 3.354 . 0 0 "[ . 1 . 2 .]" 1 1320 1 29 VAL HA 1 33 LYS H 4.000 . 5.000 3.774 3.614 3.913 . 0 0 "[ . 1 . 2 .]" 1 1321 1 29 VAL MG2 1 33 LYS H 4.000 . 6.500 5.226 5.084 5.346 . 0 0 "[ . 1 . 2 .]" 1 1322 1 30 GLN HA 1 30 GLN HE22 4.000 . 6.000 3.718 2.922 4.857 . 0 0 "[ . 1 . 2 .]" 1 1323 1 30 GLN HA 1 30 GLN HE21 4.000 . 5.000 3.582 1.864 4.210 . 0 0 "[ . 1 . 2 .]" 1 1324 1 30 GLN H 1 31 ARG H 3.000 . 3.500 2.641 2.601 2.668 . 0 0 "[ . 1 . 2 .]" 1 1325 1 30 GLN H 1 31 ARG QB 4.000 . 5.500 4.618 4.559 4.672 . 0 0 "[ . 1 . 2 .]" 1 1326 1 30 GLN HA 1 32 VAL H 4.000 . 5.000 4.336 4.197 4.411 . 0 0 "[ . 1 . 2 .]" 1 1327 1 30 GLN H 1 32 VAL H 4.000 . 6.000 4.002 3.952 4.086 . 0 0 "[ . 1 . 2 .]" 1 1328 1 30 GLN H 1 33 LYS H 4.000 . 5.000 4.622 4.496 4.707 . 0 0 "[ . 1 . 2 .]" 1 1329 1 30 GLN HE22 1 33 LYS HB2 4.000 . 6.000 4.856 3.711 6.069 0.069 14 0 "[ . 1 . 2 .]" 1 1330 1 30 GLN HE21 1 33 LYS HB2 4.000 . 6.000 5.289 3.225 6.013 0.013 25 0 "[ . 1 . 2 .]" 1 1331 1 30 GLN HE22 1 33 LYS QD 4.000 . 5.500 3.743 2.654 5.443 . 0 0 "[ . 1 . 2 .]" 1 1332 1 30 GLN QG 1 34 ASN HD21 4.000 . 5.500 4.822 4.606 4.945 . 0 0 "[ . 1 . 2 .]" 1 1333 1 30 GLN QG 1 34 ASN HD22 3.000 . 3.800 3.883 3.851 3.923 0.123 3 0 "[ . 1 . 2 .]" 1 1334 1 31 ARG H 1 31 ARG HG3 3.000 . 3.500 2.251 2.145 2.371 . 0 0 "[ . 1 . 2 .]" 1 1335 1 31 ARG HG3 1 32 VAL H 4.000 . 5.000 4.303 4.229 4.422 . 0 0 "[ . 1 . 2 .]" 1 1336 1 31 ARG H 1 32 VAL H 3.000 . 3.500 2.630 2.591 2.667 . 0 0 "[ . 1 . 2 .]" 1 1337 1 31 ARG HG2 1 32 VAL H 4.000 . 5.000 4.916 4.870 4.949 . 0 0 "[ . 1 . 2 .]" 1 1338 1 31 ARG H 1 32 VAL HA 4.000 . 6.000 5.261 5.235 5.292 . 0 0 "[ . 1 . 2 .]" 1 1339 1 31 ARG H 1 33 LYS H 4.000 . 5.000 4.262 4.154 4.359 . 0 0 "[ . 1 . 2 .]" 1 1340 1 31 ARG H 1 34 ASN H 4.000 . 5.000 4.498 4.424 4.571 . 0 0 "[ . 1 . 2 .]" 1 1341 1 31 ARG H 1 34 ASN HB2 4.000 . 6.000 4.752 4.624 4.887 . 0 0 "[ . 1 . 2 .]" 1 1342 1 31 ARG HA 1 34 ASN HD21 4.000 . 5.000 2.351 2.085 4.634 . 0 0 "[ . 1 . 2 .]" 1 1343 1 31 ARG HA 1 34 ASN HD22 4.000 . 5.000 3.860 3.657 4.705 . 0 0 "[ . 1 . 2 .]" 1 1344 1 31 ARG HG2 1 35 ILE H 4.000 . 6.000 5.937 5.633 6.032 0.032 12 0 "[ . 1 . 2 .]" 1 1345 1 31 ARG H 1 35 ILE MD 4.000 . 6.500 5.461 5.188 5.599 . 0 0 "[ . 1 . 2 .]" 1 1346 1 31 ARG HA 1 35 ILE H 4.000 . 5.000 3.747 3.512 3.855 . 0 0 "[ . 1 . 2 .]" 1 1347 1 31 ARG H 1 87 THR MG 4.000 . 5.500 4.379 4.162 4.682 . 0 0 "[ . 1 . 2 .]" 1 1348 1 32 VAL H 1 33 LYS H 3.000 . 3.500 2.696 2.636 2.745 . 0 0 "[ . 1 . 2 .]" 1 1349 1 32 VAL H 1 34 ASN H 4.000 . 5.000 3.980 3.913 4.061 . 0 0 "[ . 1 . 2 .]" 1 1350 1 32 VAL MG1 1 34 ASN H 4.000 . 5.500 4.888 4.708 5.002 . 0 0 "[ . 1 . 2 .]" 1 1351 1 32 VAL HB 1 34 ASN H 4.000 . 5.000 4.857 4.765 4.928 . 0 0 "[ . 1 . 2 .]" 1 1352 1 32 VAL MG2 1 34 ASN H 4.000 . 5.500 5.382 5.299 5.449 . 0 0 "[ . 1 . 2 .]" 1 1353 1 32 VAL HA 1 34 ASN H 4.000 . 6.000 4.554 4.513 4.646 . 0 0 "[ . 1 . 2 .]" 1 1354 1 33 LYS H 1 33 LYS HG3 2.500 . 2.900 2.253 2.196 2.318 . 0 0 "[ . 1 . 2 .]" 1 1355 1 33 LYS H 1 33 LYS HB2 3.000 . 3.500 2.401 2.360 2.431 . 0 0 "[ . 1 . 2 .]" 1 1356 1 33 LYS H 1 33 LYS HE3 4.000 . 6.000 5.257 4.453 5.863 . 0 0 "[ . 1 . 2 .]" 1 1357 1 33 LYS HG2 1 34 ASN H 4.000 . 6.000 4.918 4.874 4.959 . 0 0 "[ . 1 . 2 .]" 1 1358 1 33 LYS H 1 34 ASN H 3.000 . 3.500 2.682 2.642 2.708 . 0 0 "[ . 1 . 2 .]" 1 1359 1 33 LYS HB2 1 34 ASN H 3.000 . 3.500 2.576 2.489 2.646 . 0 0 "[ . 1 . 2 .]" 1 1360 1 33 LYS HG3 1 34 ASN H 4.000 . 5.000 4.331 4.245 4.413 . 0 0 "[ . 1 . 2 .]" 1 1361 1 33 LYS H 1 35 ILE H 4.000 . 5.000 4.301 4.215 4.362 . 0 0 "[ . 1 . 2 .]" 1 1362 1 33 LYS HA 1 37 ALA H 4.000 . 5.000 3.747 3.485 4.007 . 0 0 "[ . 1 . 2 .]" 1 1363 1 33 LYS H 1 47 LEU MD1 3.000 . 4.000 3.499 3.242 4.071 0.071 23 0 "[ . 1 . 2 .]" 1 1364 1 34 ASN H 1 34 ASN HD21 4.000 . 6.000 3.345 2.015 3.755 . 0 0 "[ . 1 . 2 .]" 1 1365 1 34 ASN HA 1 34 ASN HD22 4.000 . 5.000 4.549 3.562 4.639 . 0 0 "[ . 1 . 2 .]" 1 1366 1 34 ASN HA 1 34 ASN HD21 4.000 . 5.000 4.343 2.154 4.474 . 0 0 "[ . 1 . 2 .]" 1 1367 1 34 ASN HB3 1 35 ILE H 3.000 . 3.500 3.548 3.519 3.582 0.082 3 0 "[ . 1 . 2 .]" 1 1368 1 34 ASN H 1 35 ILE H 3.000 . 3.500 2.752 2.708 2.784 . 0 0 "[ . 1 . 2 .]" 1 1369 1 34 ASN HA 1 35 ILE H 4.000 . 5.000 3.560 3.543 3.575 . 0 0 "[ . 1 . 2 .]" 1 1370 1 34 ASN H 1 35 ILE MD 4.000 . 5.500 5.206 5.051 5.327 . 0 0 "[ . 1 . 2 .]" 1 1371 1 34 ASN H 1 36 LEU H 4.000 . 5.000 4.350 4.253 4.460 . 0 0 "[ . 1 . 2 .]" 1 1372 1 34 ASN H 1 37 ALA H 4.000 . 5.000 4.650 4.415 4.837 . 0 0 "[ . 1 . 2 .]" 1 1373 1 34 ASN HA 1 38 ALA H 4.000 . 5.000 4.649 4.389 4.988 . 0 0 "[ . 1 . 2 .]" 1 1374 1 35 ILE HG12 1 36 LEU H 4.000 . 5.000 4.967 4.902 5.011 0.011 11 0 "[ . 1 . 2 .]" 1 1375 1 35 ILE H 1 37 ALA H 4.000 . 5.000 4.007 3.776 4.148 . 0 0 "[ . 1 . 2 .]" 1 1376 1 35 ILE HA 1 37 ALA H 4.000 . 5.000 4.400 4.218 4.554 . 0 0 "[ . 1 . 2 .]" 1 1377 1 35 ILE H 1 38 ALA MB 4.000 . 5.500 4.317 4.186 4.548 . 0 0 "[ . 1 . 2 .]" 1 1378 1 35 ILE MG 1 38 ALA H 4.000 . 5.500 4.120 3.964 4.311 . 0 0 "[ . 1 . 2 .]" 1 1379 1 35 ILE HB 1 38 ALA H 4.000 . 5.000 5.088 5.057 5.115 0.115 15 0 "[ . 1 . 2 .]" 1 1380 1 35 ILE MG 1 39 VAL H 4.000 . 5.500 4.895 4.373 5.520 0.020 2 0 "[ . 1 . 2 .]" 1 1381 1 35 ILE MD 1 88 ASP H 4.000 . 6.500 5.176 4.890 5.578 . 0 0 "[ . 1 . 2 .]" 1 1382 1 35 ILE MG 1 92 ASN H 4.000 . 6.500 5.881 5.556 6.366 . 0 0 "[ . 1 . 2 .]" 1 1383 1 36 LEU H 1 37 ALA H 3.000 . 3.500 2.674 2.597 2.739 . 0 0 "[ . 1 . 2 .]" 1 1384 1 36 LEU H 1 37 ALA HA 4.000 . 6.000 5.305 5.238 5.357 . 0 0 "[ . 1 . 2 .]" 1 1385 1 36 LEU HB2 1 38 ALA H 4.000 . 5.000 4.598 4.496 4.805 . 0 0 "[ . 1 . 2 .]" 1 1386 1 36 LEU H 1 38 ALA H 4.000 . 5.000 3.746 3.686 3.878 . 0 0 "[ . 1 . 2 .]" 1 1387 1 36 LEU HB3 1 45 ILE H 4.000 . 5.000 4.524 4.242 4.841 . 0 0 "[ . 1 . 2 .]" 1 1388 1 36 LEU MD1 1 47 LEU H 4.000 . 5.500 4.983 4.425 5.450 . 0 0 "[ . 1 . 2 .]" 1 1389 1 37 ALA H 1 38 ALA HA 4.000 . 5.000 5.060 5.031 5.115 0.115 8 0 "[ . 1 . 2 .]" 1 1390 1 37 ALA H 1 38 ALA H 2.500 . 2.900 2.492 2.467 2.520 . 0 0 "[ . 1 . 2 .]" 1 1391 1 37 ALA HA 1 38 ALA H 3.000 . 3.500 3.380 3.333 3.466 . 0 0 "[ . 1 . 2 .]" 1 1392 1 37 ALA H 1 39 VAL H 4.000 . 5.000 4.219 3.988 4.437 . 0 0 "[ . 1 . 2 .]" 1 1393 1 37 ALA HA 1 39 VAL H 4.000 . 5.000 3.609 3.225 3.985 . 0 0 "[ . 1 . 2 .]" 1 1394 1 37 ALA HA 1 40 GLU H 4.000 . 5.000 3.399 2.936 3.841 . 0 0 "[ . 1 . 2 .]" 1 1395 1 38 ALA H 1 39 VAL HB 4.000 . 5.000 4.548 4.148 4.887 . 0 0 "[ . 1 . 2 .]" 1 1396 1 38 ALA H 1 39 VAL HA 4.000 . 5.000 5.059 4.966 5.142 0.142 18 0 "[ . 1 . 2 .]" 1 1397 1 38 ALA H 1 45 ILE MD 4.000 . 5.500 5.523 5.475 5.559 0.059 11 0 "[ . 1 . 2 .]" 1 1398 1 38 ALA H 1 94 LEU MD2 4.000 . 5.500 5.100 4.778 5.546 0.046 9 0 "[ . 1 . 2 .]" 1 1399 1 39 VAL H 1 40 GLU H 3.000 . 3.500 2.115 1.714 2.415 0.086 11 0 "[ . 1 . 2 .]" 1 1400 1 39 VAL H 1 40 GLU QB 4.000 . 5.500 4.609 3.580 5.195 . 0 0 "[ . 1 . 2 .]" 1 1401 1 39 VAL H 1 94 LEU MD2 4.000 . 5.500 4.457 3.926 5.288 . 0 0 "[ . 1 . 2 .]" 1 1402 1 40 GLU H 1 45 ILE MD 4.000 . 5.500 4.401 3.572 5.140 . 0 0 "[ . 1 . 2 .]" 1 1403 1 41 ALA H 1 42 THR H 4.000 . 5.000 4.397 2.440 4.589 . 0 0 "[ . 1 . 2 .]" 1 1404 1 42 THR H 1 43 VAL H 4.000 . 5.000 2.532 2.388 3.175 . 0 0 "[ . 1 . 2 .]" 1 1405 1 43 VAL H 1 44 PRO HD3 4.000 . 6.000 3.407 3.199 3.817 . 0 0 "[ . 1 . 2 .]" 1 1406 1 44 PRO HB2 1 46 SER H 4.000 . 6.000 5.526 5.307 5.670 . 0 0 "[ . 1 . 2 .]" 1 1407 1 45 ILE H 1 45 ILE HG12 4.000 . 5.000 4.042 3.979 4.105 . 0 0 "[ . 1 . 2 .]" 1 1408 1 45 ILE HB 1 46 SER H 4.000 . 5.000 3.909 3.811 4.023 . 0 0 "[ . 1 . 2 .]" 1 1409 1 45 ILE H 1 46 SER H 4.000 . 5.000 4.529 4.466 4.558 . 0 0 "[ . 1 . 2 .]" 1 1410 1 45 ILE MG 1 47 LEU H 4.000 . 5.500 4.288 4.025 4.520 . 0 0 "[ . 1 . 2 .]" 1 1411 1 46 SER HB3 1 47 LEU H 4.000 . 5.000 4.261 4.083 4.391 . 0 0 "[ . 1 . 2 .]" 1 1412 1 46 SER HB2 1 47 LEU H 4.000 . 5.000 4.382 4.208 4.485 . 0 0 "[ . 1 . 2 .]" 1 1413 1 46 SER H 1 47 LEU H 4.000 . 5.000 4.354 4.240 4.468 . 0 0 "[ . 1 . 2 .]" 1 1414 1 47 LEU H 1 47 LEU HG 4.000 . 5.000 4.423 4.300 4.733 . 0 0 "[ . 1 . 2 .]" 1 1415 1 47 LEU H 1 48 GLN H 4.000 . 5.000 4.412 4.328 4.469 . 0 0 "[ . 1 . 2 .]" 1 1416 1 47 LEU HG 1 48 GLN H 4.000 . 5.000 3.913 3.778 4.782 . 0 0 "[ . 1 . 2 .]" 1 1417 1 47 LEU HB2 1 48 GLN H 4.000 . 5.000 4.454 4.406 4.540 . 0 0 "[ . 1 . 2 .]" 1 1418 1 47 LEU MD1 1 49 VAL H 4.000 . 5.500 5.431 4.099 5.555 0.055 18 0 "[ . 1 . 2 .]" 1 1419 1 48 GLN H 1 48 GLN HB3 3.000 . 3.500 3.524 3.236 3.680 0.180 23 0 "[ . 1 . 2 .]" 1 1420 1 48 GLN H 1 49 VAL H 4.000 . 6.000 4.325 4.199 4.422 . 0 0 "[ . 1 . 2 .]" 1 1421 1 48 GLN QG 1 49 VAL H 4.000 . 5.500 3.619 2.788 4.345 . 0 0 "[ . 1 . 2 .]" 1 1422 1 49 VAL HB 1 50 ILE H 4.000 . 5.000 3.964 3.912 4.013 . 0 0 "[ . 1 . 2 .]" 1 1423 1 49 VAL H 1 50 ILE H 4.000 . 5.000 4.502 4.479 4.549 . 0 0 "[ . 1 . 2 .]" 1 1424 1 50 ILE H 1 50 ILE HG12 3.000 . 3.500 3.563 3.522 3.606 0.106 9 0 "[ . 1 . 2 .]" 1 1425 1 50 ILE H 1 51 ASN HA 4.000 . 6.000 4.800 4.747 4.853 . 0 0 "[ . 1 . 2 .]" 1 1426 1 50 ILE H 1 51 ASN H 4.000 . 5.000 4.326 4.264 4.367 . 0 0 "[ . 1 . 2 .]" 1 1427 1 50 ILE HB 1 52 VAL H 4.000 . 5.000 4.903 4.716 5.050 0.050 12 0 "[ . 1 . 2 .]" 1 1428 1 50 ILE MG 1 54 ASP H 4.000 . 6.500 4.914 4.409 5.389 . 0 0 "[ . 1 . 2 .]" 1 1429 1 50 ILE MG 1 55 GLN H 4.000 . 5.500 4.178 3.702 4.623 . 0 0 "[ . 1 . 2 .]" 1 1430 1 50 ILE HB 1 55 GLN HE21 4.000 . 5.000 4.639 3.845 5.005 0.005 8 0 "[ . 1 . 2 .]" 1 1431 1 50 ILE HB 1 55 GLN HE22 4.000 . 5.000 4.759 3.437 5.052 0.052 7 0 "[ . 1 . 2 .]" 1 1432 1 50 ILE MG 1 55 GLN HE21 4.000 . 5.500 2.235 1.777 2.849 0.023 7 0 "[ . 1 . 2 .]" 1 1433 1 50 ILE MG 1 55 GLN HE22 4.000 . 5.500 2.275 1.792 2.738 0.008 16 0 "[ . 1 . 2 .]" 1 1434 1 51 ASN H 1 51 ASN HD21 4.000 . 5.000 4.361 3.208 4.923 . 0 0 "[ . 1 . 2 .]" 1 1435 1 51 ASN HA 1 51 ASN HD21 4.000 . 5.000 3.184 1.776 4.453 0.024 10 0 "[ . 1 . 2 .]" 1 1436 1 51 ASN HA 1 51 ASN HD22 4.000 . 5.000 3.928 3.153 4.605 . 0 0 "[ . 1 . 2 .]" 1 1437 1 51 ASN H 1 52 VAL HA 4.000 . 6.000 5.226 5.149 5.311 . 0 0 "[ . 1 . 2 .]" 1 1438 1 51 ASN HB3 1 52 VAL H 4.000 . 5.000 3.943 3.659 4.429 . 0 0 "[ . 1 . 2 .]" 1 1439 1 51 ASN HD22 1 53 ALA MB 4.000 . 5.500 4.593 1.832 5.552 0.052 1 0 "[ . 1 . 2 .]" 1 1440 1 51 ASN HD21 1 53 ALA MB 4.000 . 5.500 4.241 1.970 5.502 0.002 15 0 "[ . 1 . 2 .]" 1 1441 1 51 ASN HA 1 54 ASP H 4.000 . 6.000 4.303 4.053 4.467 . 0 0 "[ . 1 . 2 .]" 1 1442 1 52 VAL H 1 53 ALA H 3.000 . 3.500 2.707 2.636 2.759 . 0 0 "[ . 1 . 2 .]" 1 1443 1 52 VAL H 1 54 ASP H 4.000 . 6.000 4.153 4.013 4.419 . 0 0 "[ . 1 . 2 .]" 1 1444 1 52 VAL HA 1 54 ASP H 4.000 . 5.000 3.781 3.506 4.063 . 0 0 "[ . 1 . 2 .]" 1 1445 1 52 VAL MG2 1 54 ASP H 4.000 . 5.500 4.166 3.968 4.477 . 0 0 "[ . 1 . 2 .]" 1 1446 1 52 VAL MG1 1 69 ALA H 4.000 . 6.500 4.927 4.650 5.260 . 0 0 "[ . 1 . 2 .]" 1 1447 1 53 ALA H 1 54 ASP H 3.000 . 3.500 2.491 2.461 2.526 . 0 0 "[ . 1 . 2 .]" 1 1448 1 53 ALA H 1 54 ASP HA 4.000 . 5.000 5.105 5.066 5.141 0.141 21 0 "[ . 1 . 2 .]" 1 1449 1 53 ALA H 1 55 GLN H 4.000 . 5.000 4.048 3.769 4.511 . 0 0 "[ . 1 . 2 .]" 1 1450 1 53 ALA HA 1 55 GLN H 4.000 . 5.000 4.474 4.096 4.978 . 0 0 "[ . 1 . 2 .]" 1 1451 1 54 ASP H 1 55 GLN H 2.500 . 2.900 2.239 2.098 2.393 . 0 0 "[ . 1 . 2 .]" 1 1452 1 54 ASP H 1 55 GLN QG 4.000 . 5.500 4.077 3.347 5.248 . 0 0 "[ . 1 . 2 .]" 1 1453 1 54 ASP H 1 55 GLN HB3 4.000 . 5.000 5.082 5.008 5.187 0.187 6 0 "[ . 1 . 2 .]" 1 1454 1 54 ASP QB 1 55 GLN HE22 4.000 . 6.500 3.891 1.933 5.352 . 0 0 "[ . 1 . 2 .]" 1 1455 1 54 ASP QB 1 55 GLN HE21 4.000 . 5.500 3.752 1.924 5.519 0.019 5 0 "[ . 1 . 2 .]" 1 1456 1 54 ASP H 1 56 PRO HD3 4.000 . 6.000 4.163 3.507 4.696 . 0 0 "[ . 1 . 2 .]" 1 1457 1 55 GLN H 1 55 GLN HB2 4.000 . 5.000 3.901 3.776 4.053 . 0 0 "[ . 1 . 2 .]" 1 1458 1 55 GLN H 1 56 PRO QG 4.000 . 6.500 4.145 3.873 4.443 . 0 0 "[ . 1 . 2 .]" 1 1459 1 55 GLN QG 1 58 LEU H 4.000 . 5.500 3.765 3.108 5.083 . 0 0 "[ . 1 . 2 .]" 1 1460 1 55 GLN H 1 58 LEU MD1 4.000 . 6.500 5.417 4.401 6.618 0.118 10 0 "[ . 1 . 2 .]" 1 1461 1 56 PRO HB2 1 57 GLN H 3.000 . 3.500 3.567 3.518 3.646 0.146 23 0 "[ . 1 . 2 .]" 1 1462 1 56 PRO HA 1 58 LEU H 4.000 . 5.000 4.439 4.211 4.785 . 0 0 "[ . 1 . 2 .]" 1 1463 1 56 PRO HA 1 60 GLU H 4.000 . 6.000 4.408 4.220 4.641 . 0 0 "[ . 1 . 2 .]" 1 1464 1 57 GLN H 1 57 GLN HB2 4.000 . 5.000 2.621 2.393 2.791 . 0 0 "[ . 1 . 2 .]" 1 1465 1 57 GLN H 1 57 GLN HG3 4.000 . 5.000 4.459 4.346 4.521 . 0 0 "[ . 1 . 2 .]" 1 1466 1 57 GLN HG3 1 58 LEU H 4.000 . 5.000 4.526 4.189 4.846 . 0 0 "[ . 1 . 2 .]" 1 1467 1 57 GLN H 1 58 LEU H 4.000 . 5.000 2.761 2.663 2.928 . 0 0 "[ . 1 . 2 .]" 1 1468 1 57 GLN HB3 1 59 VAL H 4.000 . 5.000 4.663 4.467 4.766 . 0 0 "[ . 1 . 2 .]" 1 1469 1 57 GLN HA 1 59 VAL H 4.000 . 6.000 4.136 4.025 4.236 . 0 0 "[ . 1 . 2 .]" 1 1470 1 57 GLN HA 1 60 GLU H 4.000 . 5.000 3.683 3.507 3.897 . 0 0 "[ . 1 . 2 .]" 1 1471 1 57 GLN HA 1 61 TYR H 4.000 . 5.000 4.513 4.286 4.654 . 0 0 "[ . 1 . 2 .]" 1 1472 1 58 LEU H 1 58 LEU HB3 3.000 . 3.500 2.744 2.257 3.107 . 0 0 "[ . 1 . 2 .]" 1 1473 1 58 LEU H 1 59 VAL HB 4.000 . 5.000 4.750 4.443 4.912 . 0 0 "[ . 1 . 2 .]" 1 1474 1 58 LEU H 1 59 VAL H 3.000 . 3.500 2.454 2.392 2.525 . 0 0 "[ . 1 . 2 .]" 1 1475 1 58 LEU MD1 1 59 VAL H 3.000 . 4.000 2.474 1.638 3.524 0.162 5 0 "[ . 1 . 2 .]" 1 1476 1 58 LEU HA 1 59 VAL H 4.000 . 5.000 3.450 3.422 3.472 . 0 0 "[ . 1 . 2 .]" 1 1477 1 58 LEU HB3 1 59 VAL H 4.000 . 5.000 4.138 3.738 4.394 . 0 0 "[ . 1 . 2 .]" 1 1478 1 58 LEU HB2 1 62 TYR H 4.000 . 6.000 4.958 4.510 5.580 . 0 0 "[ . 1 . 2 .]" 1 1479 1 58 LEU MD1 1 62 TYR H 4.000 . 5.500 4.444 3.512 5.180 . 0 0 "[ . 1 . 2 .]" 1 1480 1 58 LEU HA 1 62 TYR H 4.000 . 5.000 4.206 3.926 4.575 . 0 0 "[ . 1 . 2 .]" 1 1481 1 59 VAL H 1 60 GLU H 3.000 . 3.500 2.655 2.582 2.725 . 0 0 "[ . 1 . 2 .]" 1 1482 1 59 VAL HA 1 60 GLU H 4.000 . 5.000 3.562 3.544 3.575 . 0 0 "[ . 1 . 2 .]" 1 1483 1 59 VAL MG1 1 60 GLU H 3.000 . 4.000 3.435 3.005 3.641 . 0 0 "[ . 1 . 2 .]" 1 1484 1 59 VAL MG2 1 60 GLU H 4.000 . 5.500 3.722 3.543 3.961 . 0 0 "[ . 1 . 2 .]" 1 1485 1 59 VAL HB 1 61 TYR H 4.000 . 5.000 4.744 4.630 4.866 . 0 0 "[ . 1 . 2 .]" 1 1486 1 59 VAL H 1 61 TYR H 4.000 . 6.000 3.813 3.726 3.918 . 0 0 "[ . 1 . 2 .]" 1 1487 1 59 VAL MG1 1 63 ARG H 4.000 . 5.500 5.290 4.784 5.463 . 0 0 "[ . 1 . 2 .]" 1 1488 1 59 VAL MG1 1 64 LEU H 3.000 . 4.000 3.810 3.394 3.957 . 0 0 "[ . 1 . 2 .]" 1 1489 1 60 GLU H 1 60 GLU HG3 4.000 . 5.000 2.352 2.207 3.754 . 0 0 "[ . 1 . 2 .]" 1 1490 1 60 GLU H 1 61 TYR H 3.000 . 3.500 2.510 2.432 2.575 . 0 0 "[ . 1 . 2 .]" 1 1491 1 60 GLU HG3 1 61 TYR H 4.000 . 6.000 4.378 4.255 5.127 . 0 0 "[ . 1 . 2 .]" 1 1492 1 60 GLU H 1 64 LEU HB3 4.000 . 6.000 4.838 4.703 5.149 . 0 0 "[ . 1 . 2 .]" 1 1493 1 60 GLU HA 1 64 LEU H 4.000 . 5.000 3.709 3.465 4.035 . 0 0 "[ . 1 . 2 .]" 1 1494 1 61 TYR H 1 62 TYR H 3.000 . 3.500 2.718 2.664 2.758 . 0 0 "[ . 1 . 2 .]" 1 1495 1 61 TYR QD 1 62 TYR H 4.000 . 5.000 3.476 3.240 3.630 . 0 0 "[ . 1 . 2 .]" 1 1496 1 61 TYR HA 1 62 TYR H 3.000 . 3.500 3.529 3.522 3.543 0.043 25 0 "[ . 1 . 2 .]" 1 1497 1 61 TYR H 1 63 ARG H 4.000 . 5.000 3.871 3.751 3.966 . 0 0 "[ . 1 . 2 .]" 1 1498 1 62 TYR H 1 62 TYR QD 3.000 . 3.500 3.035 2.807 3.287 . 0 0 "[ . 1 . 2 .]" 1 1499 1 62 TYR H 1 62 TYR HB3 3.000 . 3.500 3.574 3.561 3.587 0.087 14 0 "[ . 1 . 2 .]" 1 1500 1 62 TYR HB2 1 63 ARG H 4.000 . 5.000 3.799 3.706 3.943 . 0 0 "[ . 1 . 2 .]" 1 1501 1 62 TYR QD 1 63 ARG H 4.000 . 6.000 4.821 4.780 4.864 . 0 0 "[ . 1 . 2 .]" 1 1502 1 62 TYR HA 1 63 ARG H 4.000 . 5.000 3.135 3.072 3.201 . 0 0 "[ . 1 . 2 .]" 1 1503 1 62 TYR H 1 63 ARG QG 4.000 . 5.500 4.877 4.681 5.206 . 0 0 "[ . 1 . 2 .]" 1 1504 1 62 TYR H 1 63 ARG HA 4.000 . 5.000 4.749 4.690 4.772 . 0 0 "[ . 1 . 2 .]" 1 1505 1 62 TYR HB2 1 64 LEU H 4.000 . 5.000 2.622 2.575 2.733 . 0 0 "[ . 1 . 2 .]" 1 1506 1 62 TYR HB3 1 64 LEU H 4.000 . 5.000 3.296 3.172 3.384 . 0 0 "[ . 1 . 2 .]" 1 1507 1 62 TYR H 1 64 LEU H 4.000 . 5.000 3.180 3.106 3.235 . 0 0 "[ . 1 . 2 .]" 1 1508 1 62 TYR H 1 64 LEU HG 4.000 . 6.000 6.039 5.993 6.102 0.102 25 0 "[ . 1 . 2 .]" 1 1509 1 63 ARG H 1 63 ARG HB2 3.000 . 3.500 3.515 3.395 3.591 0.091 2 0 "[ . 1 . 2 .]" 1 1510 1 63 ARG H 1 64 LEU H 3.000 . 3.500 2.587 2.537 2.691 . 0 0 "[ . 1 . 2 .]" 1 1511 1 63 ARG HB2 1 64 LEU H 4.000 . 5.000 3.615 3.512 3.746 . 0 0 "[ . 1 . 2 .]" 1 1512 1 63 ARG HB3 1 64 LEU H 4.000 . 6.000 4.293 4.163 4.403 . 0 0 "[ . 1 . 2 .]" 1 1513 1 64 LEU HB3 1 65 VAL H 4.000 . 6.000 4.085 3.919 4.380 . 0 0 "[ . 1 . 2 .]" 1 1514 1 64 LEU HB2 1 65 VAL H 4.000 . 5.000 4.437 4.343 4.663 . 0 0 "[ . 1 . 2 .]" 1 1515 1 64 LEU MD1 1 65 VAL H 4.000 . 5.500 2.257 1.859 3.627 . 0 0 "[ . 1 . 2 .]" 1 1516 1 64 LEU H 1 65 VAL H 4.000 . 5.000 4.433 3.688 4.607 . 0 0 "[ . 1 . 2 .]" 1 1517 1 64 LEU MD1 1 66 VAL H 4.000 . 5.500 1.907 1.746 2.275 0.054 5 0 "[ . 1 . 2 .]" 1 1518 1 64 LEU HG 1 66 VAL H 4.000 . 5.000 4.851 4.702 5.146 0.146 21 0 "[ . 1 . 2 .]" 1 1519 1 65 VAL H 1 66 VAL H 3.000 . 3.500 1.857 1.655 2.553 0.145 15 0 "[ . 1 . 2 .]" 1 1520 1 66 VAL H 1 67 THR H 4.000 . 5.000 4.471 4.425 4.495 . 0 0 "[ . 1 . 2 .]" 1 1521 1 66 VAL QG 1 67 THR H 2.500 . 3.400 3.412 3.373 3.446 0.046 23 0 "[ . 1 . 2 .]" 1 1522 1 66 VAL QG 1 83 GLY H 3.000 . 4.000 3.426 3.331 3.517 . 0 0 "[ . 1 . 2 .]" 1 1523 1 66 VAL HB 1 83 GLY H 4.000 . 5.000 4.026 3.597 4.207 . 0 0 "[ . 1 . 2 .]" 1 1524 1 67 THR H 1 69 ALA MB 4.000 . 5.500 4.724 4.588 4.905 . 0 0 "[ . 1 . 2 .]" 1 1525 1 68 PRO QD 1 69 ALA H 4.000 . 6.500 4.899 4.831 4.949 . 0 0 "[ . 1 . 2 .]" 1 1526 1 68 PRO QD 1 83 GLY H 4.000 . 5.500 4.206 4.032 4.432 . 0 0 "[ . 1 . 2 .]" 1 1527 1 68 PRO QG 1 83 GLY H 4.000 . 5.500 5.549 5.519 5.596 0.096 21 0 "[ . 1 . 2 .]" 1 1528 1 69 ALA H 1 70 LEU H 4.000 . 6.000 4.342 4.263 4.389 . 0 0 "[ . 1 . 2 .]" 1 1529 1 69 ALA HA 1 81 LEU H 4.000 . 6.000 5.194 4.935 5.424 . 0 0 "[ . 1 . 2 .]" 1 1530 1 69 ALA HA 1 83 GLY H 3.000 . 3.500 3.623 3.563 3.669 0.169 10 0 "[ . 1 . 2 .]" 1 1531 1 69 ALA MB 1 83 GLY H 4.000 . 5.500 3.808 3.541 3.989 . 0 0 "[ . 1 . 2 .]" 1 1532 1 69 ALA H 1 86 LEU QD 4.000 . 5.500 3.192 2.878 3.489 . 0 0 "[ . 1 . 2 .]" 1 1533 1 70 LEU H 1 70 LEU HG 4.000 . 5.000 4.560 4.518 4.608 . 0 0 "[ . 1 . 2 .]" 1 1534 1 70 LEU H 1 70 LEU MD2 4.000 . 5.500 4.074 4.013 4.184 . 0 0 "[ . 1 . 2 .]" 1 1535 1 70 LEU H 1 70 LEU MD1 4.000 . 5.500 4.517 4.431 4.589 . 0 0 "[ . 1 . 2 .]" 1 1536 1 70 LEU MD1 1 71 VAL H 4.000 . 5.500 4.384 4.234 4.506 . 0 0 "[ . 1 . 2 .]" 1 1537 1 70 LEU HG 1 71 VAL H 4.000 . 5.000 3.006 2.765 3.216 . 0 0 "[ . 1 . 2 .]" 1 1538 1 70 LEU H 1 71 VAL H 4.000 . 6.000 4.383 4.272 4.439 . 0 0 "[ . 1 . 2 .]" 1 1539 1 70 LEU MD1 1 81 LEU H 4.000 . 5.500 5.469 5.052 5.553 0.053 2 0 "[ . 1 . 2 .]" 1 1540 1 70 LEU HB3 1 81 LEU H 4.000 . 5.000 3.649 2.982 3.850 . 0 0 "[ . 1 . 2 .]" 1 1541 1 70 LEU H 1 81 LEU HB2 4.000 . 5.000 3.045 2.770 3.388 . 0 0 "[ . 1 . 2 .]" 1 1542 1 70 LEU H 1 82 SER HA 4.000 . 5.000 3.168 3.027 3.417 . 0 0 "[ . 1 . 2 .]" 1 1543 1 70 LEU H 1 83 GLY H 4.000 . 6.000 5.378 5.222 5.595 . 0 0 "[ . 1 . 2 .]" 1 1544 1 71 VAL H 1 71 VAL HB 3.000 . 3.500 2.728 2.657 2.826 . 0 0 "[ . 1 . 2 .]" 1 1545 1 71 VAL H 1 71 VAL MG1 4.000 . 5.500 3.891 3.860 3.927 . 0 0 "[ . 1 . 2 .]" 1 1546 1 71 VAL MG2 1 81 LEU H 3.000 . 4.000 3.013 2.654 3.601 . 0 0 "[ . 1 . 2 .]" 1 1547 1 71 VAL HA 1 81 LEU H 4.000 . 5.000 2.951 2.675 3.462 . 0 0 "[ . 1 . 2 .]" 1 1548 1 72 LYS H 1 72 LYS HG2 4.000 . 6.000 4.416 4.373 4.452 . 0 0 "[ . 1 . 2 .]" 1 1549 1 72 LYS H 1 72 LYS HD2 4.000 . 5.000 4.708 4.362 4.959 . 0 0 "[ . 1 . 2 .]" 1 1550 1 72 LYS H 1 73 ILE H 4.000 . 6.000 4.493 4.452 4.527 . 0 0 "[ . 1 . 2 .]" 1 1551 1 72 LYS HD3 1 73 ILE H 4.000 . 5.000 4.309 3.096 4.813 . 0 0 "[ . 1 . 2 .]" 1 1552 1 72 LYS HD2 1 74 GLY H 4.000 . 5.000 4.107 2.665 4.857 . 0 0 "[ . 1 . 2 .]" 1 1553 1 72 LYS HE2 1 74 GLY H 4.000 . 5.000 4.182 2.856 5.098 0.098 3 0 "[ . 1 . 2 .]" 1 1554 1 72 LYS HD3 1 74 GLY H 3.000 . 3.500 3.155 2.024 3.599 0.099 12 0 "[ . 1 . 2 .]" 1 1555 1 72 LYS H 1 79 GLN HB2 4.000 . 6.000 3.429 2.839 3.775 . 0 0 "[ . 1 . 2 .]" 1 1556 1 72 LYS H 1 79 GLN H 4.000 . 5.000 3.040 2.719 3.297 . 0 0 "[ . 1 . 2 .]" 1 1557 1 72 LYS HB3 1 79 GLN H 4.000 . 5.000 2.723 2.452 3.055 . 0 0 "[ . 1 . 2 .]" 1 1558 1 72 LYS HD2 1 79 GLN H 4.000 . 6.000 4.162 3.390 4.849 . 0 0 "[ . 1 . 2 .]" 1 1559 1 72 LYS H 1 80 VAL HA 4.000 . 5.000 3.561 3.246 3.887 . 0 0 "[ . 1 . 2 .]" 1 1560 1 72 LYS H 1 80 VAL H 4.000 . 6.000 4.945 4.752 5.204 . 0 0 "[ . 1 . 2 .]" 1 1561 1 72 LYS HB3 1 97 TRP HE1 4.000 . 5.000 5.040 4.872 5.082 0.082 5 0 "[ . 1 . 2 .]" 1 1562 1 73 ILE H 1 73 ILE HG13 4.000 . 5.000 3.316 3.279 3.391 . 0 0 "[ . 1 . 2 .]" 1 1563 1 73 ILE H 1 74 GLY H 3.000 . 3.500 2.191 2.099 2.271 . 0 0 "[ . 1 . 2 .]" 1 1564 1 73 ILE HA 1 74 GLY H 3.000 . 3.500 3.472 3.422 3.494 . 0 0 "[ . 1 . 2 .]" 1 1565 1 73 ILE HG12 1 74 GLY H 4.000 . 5.000 2.548 2.398 2.768 . 0 0 "[ . 1 . 2 .]" 1 1566 1 73 ILE MG 1 74 GLY H 4.000 . 5.500 4.350 4.304 4.400 . 0 0 "[ . 1 . 2 .]" 1 1567 1 73 ILE HG13 1 74 GLY H 4.000 . 5.000 4.131 4.003 4.352 . 0 0 "[ . 1 . 2 .]" 1 1568 1 73 ILE H 1 78 ARG HA 4.000 . 6.000 5.070 4.849 5.238 . 0 0 "[ . 1 . 2 .]" 1 1569 1 73 ILE MG 1 79 GLN H 4.000 . 5.500 5.048 4.900 5.250 . 0 0 "[ . 1 . 2 .]" 1 1570 1 73 ILE H 1 79 GLN H 4.000 . 6.000 5.208 5.008 5.388 . 0 0 "[ . 1 . 2 .]" 1 1571 1 73 ILE HA 1 79 GLN H 4.000 . 6.000 4.232 4.016 4.462 . 0 0 "[ . 1 . 2 .]" 1 1572 1 74 GLY H 1 78 ARG HA 4.000 . 5.000 4.896 4.340 5.057 0.057 6 0 "[ . 1 . 2 .]" 1 1573 1 76 GLY HA2 1 77 SER H 4.000 . 5.000 2.771 2.625 3.213 . 0 0 "[ . 1 . 2 .]" 1 1574 1 76 GLY HA3 1 77 SER H 4.000 . 6.000 2.418 2.135 2.578 . 0 0 "[ . 1 . 2 .]" 1 1575 1 77 SER HB3 1 78 ARG H 4.000 . 5.000 3.871 3.711 3.975 . 0 0 "[ . 1 . 2 .]" 1 1576 1 78 ARG H 1 78 ARG HB2 3.000 . 3.500 2.684 2.531 2.868 . 0 0 "[ . 1 . 2 .]" 1 1577 1 78 ARG HB2 1 79 GLN H 4.000 . 5.000 4.140 3.997 4.321 . 0 0 "[ . 1 . 2 .]" 1 1578 1 78 ARG HG3 1 79 GLN H 3.000 . 3.500 2.856 2.479 3.112 . 0 0 "[ . 1 . 2 .]" 1 1579 1 79 GLN H 1 79 GLN HB3 4.000 . 5.000 3.869 3.835 3.912 . 0 0 "[ . 1 . 2 .]" 1 1580 1 79 GLN H 1 79 GLN HB2 3.000 . 3.500 2.792 2.725 2.882 . 0 0 "[ . 1 . 2 .]" 1 1581 1 79 GLN H 1 80 VAL H 4.000 . 5.000 4.399 4.356 4.439 . 0 0 "[ . 1 . 2 .]" 1 1582 1 79 GLN HB3 1 80 VAL H 3.000 . 3.500 2.759 2.584 2.959 . 0 0 "[ . 1 . 2 .]" 1 1583 1 79 GLN HB2 1 80 VAL H 4.000 . 5.000 3.851 3.687 3.976 . 0 0 "[ . 1 . 2 .]" 1 1584 1 79 GLN HE22 1 81 LEU MD2 4.000 . 5.500 4.857 3.796 5.436 . 0 0 "[ . 1 . 2 .]" 1 1585 1 79 GLN HE21 1 81 LEU MD2 4.000 . 5.500 4.574 2.903 5.530 0.030 25 0 "[ . 1 . 2 .]" 1 1586 1 79 GLN HB3 1 97 TRP HE1 4.000 . 5.000 4.179 3.309 4.821 . 0 0 "[ . 1 . 2 .]" 1 1587 1 79 GLN QG 1 97 TRP HE1 4.000 . 5.500 3.569 1.879 4.350 . 0 0 "[ . 1 . 2 .]" 1 1588 1 80 VAL H 1 81 LEU H 4.000 . 6.000 4.272 4.139 4.358 . 0 0 "[ . 1 . 2 .]" 1 1589 1 80 VAL H 1 81 LEU MD2 4.000 . 5.500 3.675 3.257 4.032 . 0 0 "[ . 1 . 2 .]" 1 1590 1 81 LEU H 1 81 LEU HB3 4.000 . 5.000 3.771 3.723 3.795 . 0 0 "[ . 1 . 2 .]" 1 1591 1 81 LEU H 1 81 LEU MD2 4.000 . 5.500 3.455 3.114 3.734 . 0 0 "[ . 1 . 2 .]" 1 1592 1 81 LEU H 1 82 SER H 4.000 . 5.000 4.379 4.321 4.427 . 0 0 "[ . 1 . 2 .]" 1 1593 1 81 LEU H 1 89 GLN HB3 4.000 . 6.000 5.942 5.580 6.045 0.045 20 0 "[ . 1 . 2 .]" 1 1594 1 81 LEU MD1 1 89 GLN H 4.000 . 5.500 4.779 4.387 5.083 . 0 0 "[ . 1 . 2 .]" 1 1595 1 81 LEU MD1 1 93 GLN H 4.000 . 5.500 4.169 3.654 4.658 . 0 0 "[ . 1 . 2 .]" 1 1596 1 81 LEU MD2 1 93 GLN HE21 4.000 . 5.500 4.101 3.184 4.554 . 0 0 "[ . 1 . 2 .]" 1 1597 1 81 LEU MD2 1 93 GLN HE22 4.000 . 5.500 4.677 3.869 5.110 . 0 0 "[ . 1 . 2 .]" 1 1598 1 81 LEU MD1 1 97 TRP HE1 4.000 . 5.500 4.621 4.203 4.958 . 0 0 "[ . 1 . 2 .]" 1 1599 1 82 SER H 1 82 SER HB2 4.000 . 5.000 3.477 3.419 3.522 . 0 0 "[ . 1 . 2 .]" 1 1600 1 82 SER H 1 83 GLY H 4.000 . 5.000 4.378 4.364 4.391 . 0 0 "[ . 1 . 2 .]" 1 1601 1 82 SER HB2 1 83 GLY H 3.000 . 3.500 3.576 3.528 3.629 0.129 13 0 "[ . 1 . 2 .]" 1 1602 1 82 SER H 1 89 GLN HB2 4.000 . 5.000 4.756 4.538 5.019 0.019 23 0 "[ . 1 . 2 .]" 1 1603 1 82 SER H 1 89 GLN HE22 3.000 . 3.500 2.119 1.750 2.769 0.050 14 0 "[ . 1 . 2 .]" 1 1604 1 82 SER H 1 89 GLN HE21 4.000 . 5.000 3.043 2.765 4.125 . 0 0 "[ . 1 . 2 .]" 1 1605 1 83 GLY HA3 1 85 ASP H 3.000 . 3.500 3.292 3.235 3.385 . 0 0 "[ . 1 . 2 .]" 1 1606 1 83 GLY HA2 1 85 ASP H 4.000 . 5.000 3.881 3.859 3.908 . 0 0 "[ . 1 . 2 .]" 1 1607 1 83 GLY HA2 1 86 LEU H 4.000 . 6.000 5.747 5.618 5.874 . 0 0 "[ . 1 . 2 .]" 1 1608 1 84 ILE H 1 84 ILE MD 4.000 . 5.500 4.588 4.543 4.626 . 0 0 "[ . 1 . 2 .]" 1 1609 1 84 ILE H 1 84 ILE HG13 4.000 . 5.000 4.274 4.102 4.357 . 0 0 "[ . 1 . 2 .]" 1 1610 1 84 ILE MD 1 85 ASP H 4.000 . 5.500 4.778 4.716 4.841 . 0 0 "[ . 1 . 2 .]" 1 1611 1 84 ILE H 1 85 ASP H 3.000 . 3.500 2.957 2.914 3.003 . 0 0 "[ . 1 . 2 .]" 1 1612 1 84 ILE HG12 1 85 ASP H 4.000 . 5.000 3.623 3.552 3.682 . 0 0 "[ . 1 . 2 .]" 1 1613 1 84 ILE H 1 86 LEU H 4.000 . 5.000 3.945 3.877 4.014 . 0 0 "[ . 1 . 2 .]" 1 1614 1 85 ASP HB2 1 86 LEU H 4.000 . 5.000 4.408 4.357 4.464 . 0 0 "[ . 1 . 2 .]" 1 1615 1 85 ASP H 1 86 LEU H 2.500 . 2.900 2.360 2.291 2.435 . 0 0 "[ . 1 . 2 .]" 1 1616 1 85 ASP HB3 1 86 LEU H 4.000 . 5.000 4.388 4.324 4.417 . 0 0 "[ . 1 . 2 .]" 1 1617 1 85 ASP H 1 86 LEU HA 4.000 . 5.000 4.481 4.419 4.547 . 0 0 "[ . 1 . 2 .]" 1 1618 1 85 ASP HA 1 87 THR H 4.000 . 5.000 3.821 3.548 4.007 . 0 0 "[ . 1 . 2 .]" 1 1619 1 85 ASP H 1 87 THR H 4.000 . 6.000 4.972 4.707 5.128 . 0 0 "[ . 1 . 2 .]" 1 1620 1 85 ASP HA 1 88 ASP H 4.000 . 5.000 3.219 3.035 3.414 . 0 0 "[ . 1 . 2 .]" 1 1621 1 85 ASP HB2 1 88 ASP H 4.000 . 6.000 4.093 3.897 4.356 . 0 0 "[ . 1 . 2 .]" 1 1622 1 85 ASP H 1 89 GLN HE21 4.000 . 5.000 4.922 4.201 5.048 0.048 25 0 "[ . 1 . 2 .]" 1 1623 1 85 ASP H 1 89 GLN HE22 4.000 . 6.000 5.593 4.691 5.855 . 0 0 "[ . 1 . 2 .]" 1 1624 1 86 LEU H 1 87 THR H 3.000 . 3.500 2.932 2.832 3.015 . 0 0 "[ . 1 . 2 .]" 1 1625 1 86 LEU H 1 87 THR MG 4.000 . 6.500 4.270 4.061 4.430 . 0 0 "[ . 1 . 2 .]" 1 1626 1 86 LEU HG 1 87 THR H 4.000 . 5.000 4.451 4.028 4.940 . 0 0 "[ . 1 . 2 .]" 1 1627 1 86 LEU HA 1 88 ASP H 4.000 . 5.000 4.537 4.437 4.668 . 0 0 "[ . 1 . 2 .]" 1 1628 1 86 LEU H 1 89 GLN HB2 4.000 . 5.000 4.818 4.234 5.017 0.017 18 0 "[ . 1 . 2 .]" 1 1629 1 86 LEU H 1 89 GLN HE22 4.000 . 6.000 5.868 5.050 6.034 0.034 22 0 "[ . 1 . 2 .]" 1 1630 1 86 LEU QD 1 89 GLN H 4.000 . 6.500 5.133 4.809 5.348 . 0 0 "[ . 1 . 2 .]" 1 1631 1 86 LEU HA 1 89 GLN H 4.000 . 5.000 3.716 3.449 3.884 . 0 0 "[ . 1 . 2 .]" 1 1632 1 86 LEU QD 1 90 LEU H 4.000 . 5.500 4.953 4.201 5.336 . 0 0 "[ . 1 . 2 .]" 1 1633 1 87 THR H 1 87 THR HB 4.000 . 5.000 3.599 3.583 3.613 . 0 0 "[ . 1 . 2 .]" 1 1634 1 87 THR HB 1 88 ASP H 4.000 . 5.000 3.775 3.647 3.875 . 0 0 "[ . 1 . 2 .]" 1 1635 1 87 THR H 1 88 ASP H 3.000 . 3.500 2.680 2.630 2.790 . 0 0 "[ . 1 . 2 .]" 1 1636 1 87 THR HA 1 88 ASP H 4.000 . 5.000 3.548 3.534 3.569 . 0 0 "[ . 1 . 2 .]" 1 1637 1 87 THR H 1 89 GLN H 4.000 . 5.000 4.181 3.938 4.308 . 0 0 "[ . 1 . 2 .]" 1 1638 1 87 THR HA 1 90 LEU H 3.000 . 3.500 3.623 3.585 3.669 0.169 14 0 "[ . 1 . 2 .]" 1 1639 1 87 THR HA 1 91 ALA H 4.000 . 5.000 3.570 3.348 3.937 . 0 0 "[ . 1 . 2 .]" 1 1640 1 88 ASP H 1 88 ASP HB2 3.000 . 3.500 2.400 2.345 2.457 . 0 0 "[ . 1 . 2 .]" 1 1641 1 88 ASP H 1 89 GLN H 3.000 . 3.500 2.541 2.412 2.591 . 0 0 "[ . 1 . 2 .]" 1 1642 1 88 ASP HB3 1 89 GLN H 3.000 . 3.500 3.473 3.413 3.540 0.040 15 0 "[ . 1 . 2 .]" 1 1643 1 88 ASP H 1 90 LEU H 4.000 . 5.000 3.951 3.834 4.058 . 0 0 "[ . 1 . 2 .]" 1 1644 1 88 ASP H 1 91 ALA MB 4.000 . 5.500 4.701 4.502 5.017 . 0 0 "[ . 1 . 2 .]" 1 1645 1 89 GLN H 1 89 GLN HB2 3.000 . 3.500 2.167 2.031 2.271 . 0 0 "[ . 1 . 2 .]" 1 1646 1 89 GLN H 1 89 GLN HE22 4.000 . 6.000 5.531 5.254 5.773 . 0 0 "[ . 1 . 2 .]" 1 1647 1 89 GLN HA 1 90 LEU H 4.000 . 5.000 3.574 3.549 3.588 . 0 0 "[ . 1 . 2 .]" 1 1648 1 89 GLN H 1 90 LEU H 3.000 . 3.500 2.628 2.600 2.699 . 0 0 "[ . 1 . 2 .]" 1 1649 1 89 GLN HB3 1 90 LEU H 4.000 . 5.000 2.660 2.466 3.301 . 0 0 "[ . 1 . 2 .]" 1 1650 1 89 GLN HB2 1 90 LEU H 3.000 . 3.500 3.334 2.441 3.518 0.018 18 0 "[ . 1 . 2 .]" 1 1651 1 89 GLN H 1 90 LEU HA 4.000 . 6.000 5.240 5.215 5.293 . 0 0 "[ . 1 . 2 .]" 1 1652 1 89 GLN HA 1 92 ASN H 4.000 . 5.000 3.407 3.292 3.513 . 0 0 "[ . 1 . 2 .]" 1 1653 1 89 GLN HA 1 93 GLN HE22 4.000 . 6.000 6.054 6.017 6.094 0.094 5 0 "[ . 1 . 2 .]" 1 1654 1 90 LEU H 1 90 LEU HG 4.000 . 5.000 4.429 4.409 4.620 . 0 0 "[ . 1 . 2 .]" 1 1655 1 90 LEU MD1 1 91 ALA H 4.000 . 5.500 4.344 2.427 4.498 . 0 0 "[ . 1 . 2 .]" 1 1656 1 90 LEU H 1 91 ALA H 3.000 . 3.500 2.798 2.714 2.875 . 0 0 "[ . 1 . 2 .]" 1 1657 1 90 LEU MD2 1 91 ALA H 3.000 . 4.000 4.042 3.996 4.130 0.130 10 0 "[ . 1 . 2 .]" 1 1658 1 90 LEU HA 1 91 ALA H 4.000 . 5.000 3.557 3.539 3.573 . 0 0 "[ . 1 . 2 .]" 1 1659 1 90 LEU MD1 1 92 ASN H 4.000 . 5.500 5.318 4.162 5.525 0.025 21 0 "[ . 1 . 2 .]" 1 1660 1 90 LEU H 1 92 ASN H 4.000 . 6.000 4.044 3.891 4.193 . 0 0 "[ . 1 . 2 .]" 1 1661 1 90 LEU HA 1 93 GLN H 4.000 . 5.000 3.254 3.074 3.492 . 0 0 "[ . 1 . 2 .]" 1 1662 1 90 LEU MD1 1 94 LEU H 2.500 . 3.400 3.390 3.144 3.436 0.036 12 0 "[ . 1 . 2 .]" 1 1663 1 91 ALA H 1 92 ASN H 3.000 . 3.500 2.678 2.603 2.748 . 0 0 "[ . 1 . 2 .]" 1 1664 1 91 ALA H 1 92 ASN HB2 4.000 . 5.000 4.760 4.660 4.843 . 0 0 "[ . 1 . 2 .]" 1 1665 1 91 ALA HA 1 94 LEU H 4.000 . 5.000 3.744 3.464 3.867 . 0 0 "[ . 1 . 2 .]" 1 1666 1 92 ASN H 1 92 ASN HB3 3.000 . 3.500 3.551 3.527 3.566 0.066 15 0 "[ . 1 . 2 .]" 1 1667 1 92 ASN H 1 93 GLN H 3.000 . 3.500 2.392 2.363 2.455 . 0 0 "[ . 1 . 2 .]" 1 1668 1 92 ASN HB2 1 93 GLN H 3.000 . 3.500 2.682 2.536 2.808 . 0 0 "[ . 1 . 2 .]" 1 1669 1 92 ASN H 1 93 GLN HA 4.000 . 5.000 5.062 5.038 5.099 0.099 10 0 "[ . 1 . 2 .]" 1 1670 1 92 ASN H 1 93 GLN HB2 4.000 . 6.000 4.505 4.411 4.775 . 0 0 "[ . 1 . 2 .]" 1 1671 1 92 ASN HB3 1 93 GLN HE21 4.000 . 5.000 3.705 3.077 5.015 0.015 15 0 "[ . 1 . 2 .]" 1 1672 1 92 ASN HB2 1 93 GLN HE21 4.000 . 5.000 3.722 3.242 5.063 0.063 15 0 "[ . 1 . 2 .]" 1 1673 1 92 ASN HB3 1 93 GLN HE22 4.000 . 6.000 4.819 3.845 5.814 . 0 0 "[ . 1 . 2 .]" 1 1674 1 92 ASN H 1 94 LEU H 4.000 . 5.000 3.882 3.787 3.986 . 0 0 "[ . 1 . 2 .]" 1 1675 1 92 ASN H 1 95 PRO HD2 4.000 . 6.000 4.166 4.039 4.385 . 0 0 "[ . 1 . 2 .]" 1 1676 1 93 GLN H 1 93 GLN HB3 3.000 . 3.500 3.568 3.555 3.588 0.088 15 0 "[ . 1 . 2 .]" 1 1677 1 93 GLN HA 1 93 GLN HE21 4.000 . 5.000 3.272 2.235 3.682 . 0 0 "[ . 1 . 2 .]" 1 1678 1 93 GLN HA 1 93 GLN HE22 4.000 . 5.000 3.502 2.768 4.159 . 0 0 "[ . 1 . 2 .]" 1 1679 1 93 GLN H 1 94 LEU H 2.500 . 2.900 2.496 2.464 2.532 . 0 0 "[ . 1 . 2 .]" 1 1680 1 93 GLN H 1 94 LEU HA 4.000 . 6.000 5.085 5.049 5.120 . 0 0 "[ . 1 . 2 .]" 1 1681 1 93 GLN H 1 94 LEU HB2 4.000 . 5.000 5.061 5.003 5.091 0.091 19 0 "[ . 1 . 2 .]" 1 1682 1 93 GLN H 1 95 PRO HD3 4.000 . 6.000 5.134 5.028 5.237 . 0 0 "[ . 1 . 2 .]" 1 1683 1 93 GLN H 1 95 PRO HG2 4.000 . 6.000 4.617 4.473 4.836 . 0 0 "[ . 1 . 2 .]" 1 1684 1 93 GLN HA 1 96 GLN H 4.000 . 5.000 3.520 3.389 3.641 . 0 0 "[ . 1 . 2 .]" 1 1685 1 93 GLN HG3 1 97 TRP HE1 4.000 . 5.000 4.037 3.698 4.722 . 0 0 "[ . 1 . 2 .]" 1 1686 1 93 GLN HB2 1 97 TRP HE1 4.000 . 5.000 3.783 3.432 4.092 . 0 0 "[ . 1 . 2 .]" 1 1687 1 93 GLN HB2 1 97 TRP H 4.000 . 6.000 5.727 5.418 5.926 . 0 0 "[ . 1 . 2 .]" 1 1688 1 93 GLN HE22 1 97 TRP HE1 4.000 . 5.000 5.069 5.027 5.134 0.134 8 0 "[ . 1 . 2 .]" 1 1689 1 94 LEU H 1 95 PRO HG3 4.000 . 5.000 4.912 4.886 4.943 . 0 0 "[ . 1 . 2 .]" 1 1690 1 94 LEU HA 1 96 GLN H 4.000 . 6.000 4.441 4.323 4.587 . 0 0 "[ . 1 . 2 .]" 1 1691 1 94 LEU MD1 1 97 TRP H 3.000 . 4.000 3.901 3.792 4.011 0.011 14 0 "[ . 1 . 2 .]" 1 1692 1 94 LEU HA 1 97 TRP H 3.000 . 3.500 3.407 3.282 3.514 0.014 16 0 "[ . 1 . 2 .]" 1 1693 1 95 PRO HG3 1 96 GLN H 4.000 . 5.000 4.170 4.095 4.229 . 0 0 "[ . 1 . 2 .]" 1 1694 1 95 PRO HB2 1 96 GLN H 3.000 . 3.500 2.725 2.603 2.835 . 0 0 "[ . 1 . 2 .]" 1 1695 1 95 PRO HG2 1 96 GLN H 4.000 . 5.000 2.800 2.703 2.886 . 0 0 "[ . 1 . 2 .]" 1 1696 1 95 PRO HB3 1 96 GLN H 4.000 . 5.000 3.978 3.899 4.045 . 0 0 "[ . 1 . 2 .]" 1 1697 1 95 PRO HD2 1 96 GLN H 4.000 . 5.000 3.242 3.150 3.338 . 0 0 "[ . 1 . 2 .]" 1 1698 1 95 PRO HA 1 98 LEU H 4.000 . 5.000 3.561 3.448 3.644 . 0 0 "[ . 1 . 2 .]" 1 1699 1 96 GLN QB 1 97 TRP HE1 4.000 . 5.500 3.659 3.421 3.830 . 0 0 "[ . 1 . 2 .]" 1 1700 1 96 GLN HA 1 97 TRP H 3.000 . 3.500 3.515 3.501 3.528 0.028 12 0 "[ . 1 . 2 .]" 1 1701 1 96 GLN H 1 97 TRP H 2.500 . 2.900 2.651 2.611 2.691 . 0 0 "[ . 1 . 2 .]" 1 1702 1 96 GLN H 1 97 TRP HB2 4.000 . 6.000 4.927 4.862 5.017 . 0 0 "[ . 1 . 2 .]" 1 1703 1 96 GLN H 1 97 TRP HA 4.000 . 6.000 5.267 5.242 5.307 . 0 0 "[ . 1 . 2 .]" 1 1704 1 96 GLN H 1 98 LEU H 4.000 . 5.000 4.242 4.042 4.435 . 0 0 "[ . 1 . 2 .]" 1 1705 1 96 GLN H 1 99 VAL H 4.000 . 5.000 4.635 4.469 4.880 . 0 0 "[ . 1 . 2 .]" 1 1706 1 96 GLN H 1 99 VAL MG2 4.000 . 5.500 4.249 3.939 4.562 . 0 0 "[ . 1 . 2 .]" 1 1707 1 97 TRP H 1 97 TRP HE1 4.000 . 5.000 4.341 4.234 4.475 . 0 0 "[ . 1 . 2 .]" 1 1708 1 97 TRP H 1 98 LEU HB2 4.000 . 5.000 4.846 4.686 4.928 . 0 0 "[ . 1 . 2 .]" 1 1709 1 97 TRP H 1 98 LEU H 3.000 . 3.500 2.643 2.581 2.715 . 0 0 "[ . 1 . 2 .]" 1 1710 1 97 TRP H 1 98 LEU HG 4.000 . 5.000 4.190 3.924 4.489 . 0 0 "[ . 1 . 2 .]" 1 1711 1 97 TRP HB2 1 98 LEU H 4.000 . 5.000 2.583 2.336 3.087 . 0 0 "[ . 1 . 2 .]" 1 1712 1 97 TRP HB3 1 98 LEU H 4.000 . 5.000 3.708 3.528 4.068 . 0 0 "[ . 1 . 2 .]" 1 1713 1 97 TRP HA 1 98 LEU H 4.000 . 5.000 3.537 3.439 3.568 . 0 0 "[ . 1 . 2 .]" 1 1714 1 97 TRP H 1 99 VAL H 4.000 . 5.000 3.928 3.761 4.048 . 0 0 "[ . 1 . 2 .]" 1 1715 1 98 LEU HG 1 99 VAL H 4.000 . 5.000 4.140 3.976 4.334 . 0 0 "[ . 1 . 2 .]" 1 1716 1 98 LEU H 1 99 VAL H 3.000 . 3.500 2.453 2.147 2.561 . 0 0 "[ . 1 . 2 .]" 1 1717 1 99 VAL H 1 99 VAL MG2 3.000 . 4.000 2.296 2.093 2.606 . 0 0 "[ . 1 . 2 .]" 1 1718 1 99 VAL H 1 99 VAL MG1 3.000 . 4.000 3.743 3.708 3.815 . 0 0 "[ . 1 . 2 .]" 1 1719 1 99 VAL H 1 100 GLN H 4.000 . 5.000 2.647 2.283 3.046 . 0 0 "[ . 1 . 2 .]" 1 1720 1 99 VAL H 1 100 GLN QG 4.000 . 6.500 3.938 3.651 4.261 . 0 0 "[ . 1 . 2 .]" 1 1721 1 100 GLN H 1 101 GLN H 4.000 . 5.000 3.371 2.647 4.656 . 0 0 "[ . 1 . 2 .]" 1 1722 1 100 GLN QB 1 101 GLN H 4.000 . 5.500 3.626 1.797 3.923 0.003 25 0 "[ . 1 . 2 .]" 1 1723 1 101 GLN H 1 101 GLN HB3 4.000 . 5.000 3.786 3.582 4.095 . 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 23 _Distance_constraint_stats_list.Viol_count 72 _Distance_constraint_stats_list.Viol_total 98.110 _Distance_constraint_stats_list.Viol_max 0.119 _Distance_constraint_stats_list.Viol_rms 0.0205 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0068 _Distance_constraint_stats_list.Viol_average_violations_only 0.0545 _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 13 LEU 1.734 0.118 6 0 "[ . 1 . 2 .]" 1 15 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 16 GLN 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 17 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 20 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 28 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 29 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 31 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 32 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 33 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 36 LEU 1.055 0.081 8 0 "[ . 1 . 2 .]" 1 37 ALA 1.055 0.081 8 0 "[ . 1 . 2 .]" 1 42 THR 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 43 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 44 PRO 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 47 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 50 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 51 ASN 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 53 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 55 GLN 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 56 PRO 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 57 GLN 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 58 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 59 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 60 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 61 TYR 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 62 TYR 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 63 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 64 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 65 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 66 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 67 THR 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 70 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 71 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 72 LYS 1.734 0.118 6 0 "[ . 1 . 2 .]" 1 74 GLY 1.734 0.118 6 0 "[ . 1 . 2 .]" 1 75 PRO 1.734 0.118 6 0 "[ . 1 . 2 .]" 1 86 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 89 GLN 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 91 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 92 ASN 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 93 GLN 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 96 GLN 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 97 TRP 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 98 LEU 1.135 0.119 4 0 "[ . 1 . 2 .]" 1 99 VAL 1.135 0.119 4 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 15 LEU MD1 1 17 LEU H 3.000 . 4.000 3.243 3.149 3.348 . 0 0 "[ . 1 . 2 .]" 2 2 1 16 GLN H 1 16 GLN HB3 3.000 . 3.500 3.209 3.166 3.243 . 0 0 "[ . 1 . 2 .]" 2 3 1 20 ASP HA 1 53 ALA H 3.000 . 3.500 3.127 2.881 3.396 . 0 0 "[ . 1 . 2 .]" 2 4 1 28 ILE H 1 28 ILE MD 3.000 . 4.000 3.221 3.118 3.267 . 0 0 "[ . 1 . 2 .]" 2 5 1 28 ILE MG 1 31 ARG H 3.000 . 4.000 3.752 3.630 3.832 . 0 0 "[ . 1 . 2 .]" 2 6 1 28 ILE MD 1 86 LEU H 4.000 . 5.500 3.535 3.333 3.865 . 0 0 "[ . 1 . 2 .]" 2 7 1 28 ILE MG 1 29 VAL H 2.500 . 3.400 3.246 3.179 3.294 . 0 0 "[ . 1 . 2 .]" 2 8 1 29 VAL MG1 1 33 LYS H 3.000 . 4.000 3.260 3.176 3.367 . 0 0 "[ . 1 . 2 .]" 2 9 1 36 LEU QD 1 37 ALA H 3.000 . 4.000 4.041 3.984 4.081 0.081 8 0 "[ . 1 . 2 .]" 2 10 1 42 THR HB 1 43 VAL H 4.000 . 5.000 3.919 3.813 4.018 . 0 0 "[ . 1 . 2 .]" 2 11 1 47 LEU H 1 47 LEU QD 3.000 . 4.000 3.783 3.625 3.820 . 0 0 "[ . 1 . 2 .]" 2 12 1 50 ILE H 1 51 ASN H 4.000 . 5.000 3.767 3.717 3.797 . 0 0 "[ . 1 . 2 .]" 2 13 1 56 PRO HB3 1 57 GLN H 4.000 . 5.000 3.926 3.859 4.002 . 0 0 "[ . 1 . 2 .]" 2 14 1 55 GLN HB2 1 58 LEU H 4.000 . 5.000 3.074 2.748 3.471 . 0 0 "[ . 1 . 2 .]" 2 15 1 60 GLU HA 1 63 ARG H 3.000 . 3.500 3.080 2.977 3.126 . 0 0 "[ . 1 . 2 .]" 2 16 1 59 VAL HA 1 62 TYR H 3.000 . 3.500 3.337 3.265 3.381 . 0 0 "[ . 1 . 2 .]" 2 17 1 64 LEU HB2 1 66 VAL H 3.000 . 4.000 3.609 3.488 3.716 . 0 0 "[ . 1 . 2 .]" 2 18 1 70 LEU HB3 1 72 LYS H 4.000 . 6.000 5.619 5.419 5.758 . 0 0 "[ . 1 . 2 .]" 2 19 1 13 LEU HA 1 74 GLY H 3.000 . 3.500 3.569 3.501 3.618 0.118 6 0 "[ . 1 . 2 .]" 2 20 1 89 GLN HB3 1 92 ASN H 4.000 . 5.000 4.011 3.923 4.096 . 0 0 "[ . 1 . 2 .]" 2 21 1 91 ALA H 1 92 ASN H 2.500 . 2.900 2.233 2.201 2.268 . 0 0 "[ . 1 . 2 .]" 2 22 1 96 GLN H 1 97 TRP H 2.500 . 2.900 2.324 2.243 2.414 . 0 0 "[ . 1 . 2 .]" 2 23 1 98 LEU QD 1 99 VAL H 3.000 . 4.000 4.045 3.996 4.119 0.119 4 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 66 _Distance_constraint_stats_list.Viol_count 233 _Distance_constraint_stats_list.Viol_total 234.987 _Distance_constraint_stats_list.Viol_max 0.132 _Distance_constraint_stats_list.Viol_rms 0.0183 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0057 _Distance_constraint_stats_list.Viol_average_violations_only 0.0403 _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 13 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 14 LEU 0.708 0.055 18 0 "[ . 1 . 2 .]" 1 15 LEU 0.001 0.001 23 0 "[ . 1 . 2 .]" 1 16 GLN 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 17 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 18 PHE 0.020 0.020 21 0 "[ . 1 . 2 .]" 1 19 VAL 0.868 0.103 23 0 "[ . 1 . 2 .]" 1 23 PRO 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 24 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 25 SER 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 26 GLN 0.076 0.020 12 0 "[ . 1 . 2 .]" 1 27 HIS 3.318 0.132 18 0 "[ . 1 . 2 .]" 1 28 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 29 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 30 GLN 0.076 0.020 12 0 "[ . 1 . 2 .]" 1 31 ARG 3.318 0.132 18 0 "[ . 1 . 2 .]" 1 32 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 33 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 34 ASN 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 35 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 36 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 37 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 46 SER 0.001 0.001 23 0 "[ . 1 . 2 .]" 1 48 GLN 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 50 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 52 VAL 0.868 0.103 23 0 "[ . 1 . 2 .]" 1 56 PRO 1.564 0.110 20 0 "[ . 1 . 2 .]" 1 57 GLN 0.360 0.085 14 0 "[ . 1 . 2 .]" 1 60 GLU 1.564 0.110 20 0 "[ . 1 . 2 .]" 1 61 TYR 0.360 0.085 14 0 "[ . 1 . 2 .]" 1 69 ALA 0.020 0.020 21 0 "[ . 1 . 2 .]" 1 70 LEU 0.982 0.071 7 0 "[ . 1 . 2 .]" 1 71 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 72 LYS 0.147 0.049 20 0 "[ . 1 . 2 .]" 1 73 ILE 0.708 0.055 18 0 "[ . 1 . 2 .]" 1 79 GLN 0.147 0.049 20 0 "[ . 1 . 2 .]" 1 81 LEU 0.982 0.071 7 0 "[ . 1 . 2 .]" 1 86 LEU 0.403 0.096 14 0 "[ . 1 . 2 .]" 1 87 THR 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 88 ASP 0.821 0.071 1 0 "[ . 1 . 2 .]" 1 89 GLN 0.028 0.010 9 0 "[ . 1 . 2 .]" 1 90 LEU 0.507 0.096 14 0 "[ . 1 . 2 .]" 1 91 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]" 1 92 ASN 0.821 0.071 1 0 "[ . 1 . 2 .]" 1 93 GLN 0.028 0.010 9 0 "[ . 1 . 2 .]" 1 94 LEU 0.104 0.023 20 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 23 PRO O 1 27 HIS H 2.000 . 2.300 1.655 1.595 1.734 . 0 0 "[ . 1 . 2 .]" 3 2 1 23 PRO O 1 27 HIS N 3.000 2.400 3.300 2.496 2.438 2.557 . 0 0 "[ . 1 . 2 .]" 3 3 1 24 LEU O 1 28 ILE H 2.000 . 2.300 1.660 1.548 1.788 . 0 0 "[ . 1 . 2 .]" 3 4 1 24 LEU O 1 28 ILE N 3.000 2.400 3.300 2.616 2.513 2.731 . 0 0 "[ . 1 . 2 .]" 3 5 1 25 SER O 1 29 VAL H 2.000 . 2.300 1.681 1.557 1.846 . 0 0 "[ . 1 . 2 .]" 3 6 1 25 SER O 1 29 VAL N 3.000 2.400 3.300 2.533 2.424 2.670 . 0 0 "[ . 1 . 2 .]" 3 7 1 26 GLN O 1 30 GLN H 2.000 . 2.300 2.256 2.149 2.320 0.020 12 0 "[ . 1 . 2 .]" 3 8 1 26 GLN O 1 30 GLN N 3.000 2.400 3.300 3.156 3.065 3.237 . 0 0 "[ . 1 . 2 .]" 3 9 1 27 HIS O 1 31 ARG H 2.000 . 2.300 2.400 2.378 2.432 0.132 18 0 "[ . 1 . 2 .]" 3 10 1 27 HIS O 1 31 ARG N 3.000 2.400 3.300 3.333 3.305 3.363 0.063 15 0 "[ . 1 . 2 .]" 3 11 1 28 ILE O 1 32 VAL H 2.000 . 2.300 1.720 1.617 1.835 . 0 0 "[ . 1 . 2 .]" 3 12 1 28 ILE O 1 32 VAL N 3.000 2.400 3.300 2.626 2.528 2.754 . 0 0 "[ . 1 . 2 .]" 3 13 1 29 VAL O 1 33 LYS H 2.000 . 2.300 1.678 1.584 1.766 . 0 0 "[ . 1 . 2 .]" 3 14 1 29 VAL O 1 33 LYS N 3.000 2.400 3.300 2.654 2.561 2.744 . 0 0 "[ . 1 . 2 .]" 3 15 1 30 GLN O 1 34 ASN H 2.000 . 2.300 1.611 1.510 1.700 . 0 0 "[ . 1 . 2 .]" 3 16 1 30 GLN O 1 34 ASN N 3.000 2.400 3.300 2.537 2.442 2.626 . 0 0 "[ . 1 . 2 .]" 3 17 1 31 ARG O 1 35 ILE H 2.000 . 2.300 1.927 1.742 2.047 . 0 0 "[ . 1 . 2 .]" 3 18 1 31 ARG O 1 35 ILE N 3.000 2.400 3.300 2.862 2.686 2.991 . 0 0 "[ . 1 . 2 .]" 3 19 1 32 VAL O 1 36 LEU H 2.000 . 2.300 1.934 1.833 2.054 . 0 0 "[ . 1 . 2 .]" 3 20 1 32 VAL O 1 36 LEU N 3.000 2.400 3.300 2.899 2.787 3.026 . 0 0 "[ . 1 . 2 .]" 3 21 1 33 LYS O 1 37 ALA H 2.000 . 2.300 1.913 1.699 2.170 . 0 0 "[ . 1 . 2 .]" 3 22 1 33 LYS O 1 37 ALA N 3.000 2.400 3.300 2.800 2.564 3.025 . 0 0 "[ . 1 . 2 .]" 3 23 1 56 PRO O 1 60 GLU H 2.000 . 2.300 2.354 2.182 2.410 0.110 20 0 "[ . 1 . 2 .]" 3 24 1 56 PRO O 1 60 GLU N 3.000 2.400 3.300 3.265 3.114 3.322 0.022 20 0 "[ . 1 . 2 .]" 3 25 1 57 GLN O 1 61 TYR H 2.000 . 2.300 2.292 2.147 2.385 0.085 14 0 "[ . 1 . 2 .]" 3 26 1 57 GLN O 1 61 TYR N 3.000 2.400 3.300 3.166 3.021 3.280 . 0 0 "[ . 1 . 2 .]" 3 27 1 86 LEU O 1 90 LEU H 2.000 . 2.300 1.558 1.415 1.686 0.085 14 0 "[ . 1 . 2 .]" 3 28 1 86 LEU O 1 90 LEU N 3.000 2.400 3.300 2.445 2.304 2.564 0.096 14 0 "[ . 1 . 2 .]" 3 29 1 87 THR O 1 91 ALA H 2.000 . 2.300 2.037 1.925 2.256 . 0 0 "[ . 1 . 2 .]" 3 30 1 87 THR O 1 91 ALA N 3.000 2.400 3.300 2.953 2.837 3.225 . 0 0 "[ . 1 . 2 .]" 3 31 1 88 ASP O 1 92 ASN H 2.000 . 2.300 2.331 2.267 2.371 0.071 1 0 "[ . 1 . 2 .]" 3 32 1 88 ASP O 1 92 ASN N 3.000 2.400 3.300 3.156 3.078 3.232 . 0 0 "[ . 1 . 2 .]" 3 33 1 89 GLN O 1 93 GLN H 2.000 . 2.300 1.613 1.490 1.803 0.010 9 0 "[ . 1 . 2 .]" 3 34 1 89 GLN O 1 93 GLN N 3.000 2.400 3.300 2.518 2.394 2.695 0.006 25 0 "[ . 1 . 2 .]" 3 35 1 90 LEU O 1 94 LEU H 2.000 . 2.300 1.571 1.477 1.955 0.023 20 0 "[ . 1 . 2 .]" 3 36 1 90 LEU O 1 94 LEU N 3.000 2.400 3.300 2.501 2.385 2.824 0.015 9 0 "[ . 1 . 2 .]" 3 37 1 70 LEU H 1 81 LEU O 2.000 . 2.300 1.469 1.429 1.559 0.071 7 0 "[ . 1 . 2 .]" 3 38 1 70 LEU N 1 81 LEU O 3.000 2.400 3.300 2.417 2.383 2.495 0.017 7 0 "[ . 1 . 2 .]" 3 39 1 70 LEU O 1 81 LEU H 2.000 . 2.300 1.567 1.481 1.720 0.019 18 0 "[ . 1 . 2 .]" 3 40 1 70 LEU O 1 81 LEU N 3.000 2.400 3.300 2.511 2.445 2.641 . 0 0 "[ . 1 . 2 .]" 3 41 1 72 LYS H 1 79 GLN O 2.000 . 2.300 2.022 1.740 2.202 . 0 0 "[ . 1 . 2 .]" 3 42 1 72 LYS N 1 79 GLN O 3.000 2.400 3.300 2.901 2.705 3.047 . 0 0 "[ . 1 . 2 .]" 3 43 1 72 LYS O 1 79 GLN H 2.000 . 2.300 2.243 2.063 2.349 0.049 20 0 "[ . 1 . 2 .]" 3 44 1 72 LYS O 1 79 GLN N 3.000 2.400 3.300 3.183 3.007 3.278 . 0 0 "[ . 1 . 2 .]" 3 45 1 18 PHE O 1 69 ALA H 2.000 . 2.300 2.123 1.925 2.320 0.020 21 0 "[ . 1 . 2 .]" 3 46 1 18 PHE O 1 69 ALA N 3.000 2.400 3.300 3.074 2.900 3.246 . 0 0 "[ . 1 . 2 .]" 3 47 1 18 PHE H 1 69 ALA O 2.000 . 2.300 1.714 1.555 1.887 . 0 0 "[ . 1 . 2 .]" 3 48 1 18 PHE N 1 69 ALA O 3.000 2.400 3.300 2.648 2.504 2.777 . 0 0 "[ . 1 . 2 .]" 3 49 1 16 GLN O 1 71 VAL H 2.000 . 2.300 1.959 1.809 2.078 . 0 0 "[ . 1 . 2 .]" 3 50 1 16 GLN O 1 71 VAL N 3.000 2.400 3.300 2.875 2.753 2.976 . 0 0 "[ . 1 . 2 .]" 3 51 1 16 GLN H 1 71 VAL O 2.000 . 2.300 2.184 2.035 2.299 . 0 0 "[ . 1 . 2 .]" 3 52 1 16 GLN N 1 71 VAL O 3.000 2.400 3.300 3.097 2.990 3.205 . 0 0 "[ . 1 . 2 .]" 3 53 1 14 LEU O 1 73 ILE H 2.000 . 2.300 2.319 2.205 2.355 0.055 18 0 "[ . 1 . 2 .]" 3 54 1 14 LEU O 1 73 ILE N 3.000 2.400 3.300 3.256 3.112 3.325 0.025 18 0 "[ . 1 . 2 .]" 3 55 1 19 VAL O 1 52 VAL H 2.000 . 2.300 2.318 2.148 2.403 0.103 23 0 "[ . 1 . 2 .]" 3 56 1 19 VAL O 1 52 VAL N 3.000 2.400 3.300 3.214 3.025 3.357 0.057 23 0 "[ . 1 . 2 .]" 3 57 1 19 VAL H 1 50 ILE O 2.000 . 2.300 2.156 1.977 2.259 . 0 0 "[ . 1 . 2 .]" 3 58 1 19 VAL N 1 50 ILE O 3.000 2.400 3.300 3.101 2.942 3.202 . 0 0 "[ . 1 . 2 .]" 3 59 1 17 LEU O 1 50 ILE H 2.000 . 2.300 1.781 1.559 1.975 . 0 0 "[ . 1 . 2 .]" 3 60 1 17 LEU O 1 50 ILE N 3.000 2.400 3.300 2.735 2.518 2.908 . 0 0 "[ . 1 . 2 .]" 3 61 1 17 LEU H 1 48 GLN O 2.000 . 2.300 1.857 1.687 2.106 . 0 0 "[ . 1 . 2 .]" 3 62 1 17 LEU N 1 48 GLN O 3.000 2.400 3.300 2.759 2.608 3.002 . 0 0 "[ . 1 . 2 .]" 3 63 1 15 LEU O 1 48 GLN H 2.000 . 2.300 1.971 1.806 2.134 . 0 0 "[ . 1 . 2 .]" 3 64 1 15 LEU O 1 48 GLN N 3.000 2.400 3.300 2.858 2.709 3.005 . 0 0 "[ . 1 . 2 .]" 3 65 1 15 LEU H 1 46 SER O 2.000 . 2.300 1.990 1.654 2.301 0.001 23 0 "[ . 1 . 2 .]" 3 66 1 13 LEU O 1 46 SER N 3.000 2.400 3.300 2.761 2.500 2.920 . 0 0 "[ . 1 . 2 .]" 3 stop_ save_
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