NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
452195 | 2rqk | 11076 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rqk 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 446 _Distance_constraint_stats_list.Viol_count 552 _Distance_constraint_stats_list.Viol_total 589.473 _Distance_constraint_stats_list.Viol_max 0.358 _Distance_constraint_stats_list.Viol_rms 0.0172 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0033 _Distance_constraint_stats_list.Viol_average_violations_only 0.0534 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 1 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 2 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 3 ILE 1.319 0.195 8 0 "[ . 1 . 2]" 1 4 ARG 0.052 0.052 17 0 "[ . 1 . 2]" 1 5 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 6 TYR 0.300 0.062 11 0 "[ . 1 . 2]" 1 7 ASN 0.079 0.052 17 0 "[ . 1 . 2]" 1 8 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 9 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 10 ASP 0.357 0.217 20 0 "[ . 1 . 2]" 1 11 MET 1.452 0.217 20 0 "[ . 1 . 2]" 1 12 ALA 0.160 0.094 14 0 "[ . 1 . 2]" 1 13 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 14 LEU 0.064 0.043 19 0 "[ . 1 . 2]" 1 15 LEU 0.289 0.071 11 0 "[ . 1 . 2]" 1 16 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 18 TRP 0.398 0.089 2 0 "[ . 1 . 2]" 1 20 LYS 0.015 0.015 18 0 "[ . 1 . 2]" 1 21 ASP 0.963 0.193 20 0 "[ . 1 . 2]" 1 22 ASP 1.592 0.180 1 0 "[ . 1 . 2]" 1 23 ASP 0.132 0.047 18 0 "[ . 1 . 2]" 1 24 ILE 0.132 0.047 18 0 "[ . 1 . 2]" 1 25 GLU 0.915 0.124 20 0 "[ . 1 . 2]" 1 26 GLU 0.915 0.124 20 0 "[ . 1 . 2]" 1 27 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 28 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 29 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 62 LEU 0.424 0.146 15 0 "[ . 1 . 2]" 1 63 MET 1.234 0.157 20 0 "[ . 1 . 2]" 1 64 MET 0.504 0.069 14 0 "[ . 1 . 2]" 1 65 PHE 0.026 0.026 12 0 "[ . 1 . 2]" 1 66 VAL 0.002 0.002 7 0 "[ . 1 . 2]" 1 67 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 68 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 69 SER 1.062 0.072 10 0 "[ . 1 . 2]" 1 70 GLY 1.062 0.072 10 0 "[ . 1 . 2]" 1 71 ASN 1.183 0.153 4 0 "[ . 1 . 2]" 1 72 PRO 1.395 0.195 8 0 "[ . 1 . 2]" 1 73 THR 4.500 0.358 4 0 "[ . 1 . 2]" 1 74 GLU 0.329 0.085 2 0 "[ . 1 . 2]" 1 75 LYS 2.391 0.263 6 0 "[ . 1 . 2]" 1 76 GLU 1.648 0.358 4 0 "[ . 1 . 2]" 1 77 THR 0.587 0.087 1 0 "[ . 1 . 2]" 1 78 GLU 0.179 0.041 1 0 "[ . 1 . 2]" 1 79 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 80 ILE 0.198 0.072 3 0 "[ . 1 . 2]" 1 81 THR 0.974 0.099 3 0 "[ . 1 . 2]" 1 82 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 83 LEU 1.348 0.155 1 0 "[ . 1 . 2]" 1 84 TRP 1.472 0.241 1 0 "[ . 1 . 2]" 1 85 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 86 GLY 0.480 0.092 11 0 "[ . 1 . 2]" 1 87 SER 0.020 0.020 9 0 "[ . 1 . 2]" 1 88 LEU 2.193 0.107 10 0 "[ . 1 . 2]" 1 89 PHE 0.240 0.059 3 0 "[ . 1 . 2]" 1 90 ASN 1.038 0.105 9 0 "[ . 1 . 2]" 1 91 ALA 0.085 0.057 20 0 "[ . 1 . 2]" 1 92 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 1 93 TYR 0.939 0.105 9 0 "[ . 1 . 2]" 1 94 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 95 VAL 1.026 0.110 10 0 "[ . 1 . 2]" 1 96 GLN 0.231 0.089 2 0 "[ . 1 . 2]" 1 97 ARG 0.190 0.056 8 0 "[ . 1 . 2]" 1 98 PHE 0.188 0.056 8 0 "[ . 1 . 2]" 1 99 ILE 0.424 0.057 4 0 "[ . 1 . 2]" 1 100 VAL 0.023 0.014 10 0 "[ . 1 . 2]" 1 101 GLY 0.191 0.057 4 0 "[ . 1 . 2]" 1 102 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 103 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 104 ARG 0.057 0.037 1 0 "[ . 1 . 2]" 1 105 ALA 1.438 0.099 3 0 "[ . 1 . 2]" 1 106 ILE 1.261 0.088 18 0 "[ . 1 . 2]" 1 107 PHE 2.482 0.157 20 0 "[ . 1 . 2]" 1 108 MET 0.213 0.043 19 0 "[ . 1 . 2]" 1 109 LEU 0.415 0.146 15 0 "[ . 1 . 2]" 1 110 ARG 3.553 0.193 20 0 "[ . 1 . 2]" 1 111 ASP 0.586 0.170 12 0 "[ . 1 . 2]" 1 112 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 113 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 114 TYR 0.009 0.009 6 0 "[ . 1 . 2]" 1 115 ALA 0.744 0.094 12 0 "[ . 1 . 2]" 1 116 TRP 1.899 0.094 12 0 "[ . 1 . 2]" 1 117 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 118 ILE 1.646 0.309 9 0 "[ . 1 . 2]" 1 119 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 120 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 121 PHE 0.823 0.084 14 0 "[ . 1 . 2]" 1 122 LEU 2.033 0.309 9 0 "[ . 1 . 2]" 1 123 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 124 SER 0.022 0.022 8 0 "[ . 1 . 2]" 1 125 GLN 2.380 0.241 1 0 "[ . 1 . 2]" 1 126 ASP 0.198 0.124 18 0 "[ . 1 . 2]" 1 127 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 129 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 130 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 131 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 132 THR 0.182 0.060 14 0 "[ . 1 . 2]" 1 133 LEU 0.374 0.066 11 0 "[ . 1 . 2]" 1 134 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 137 MET 0.417 0.059 15 0 "[ . 1 . 2]" 1 138 TYR 0.078 0.057 7 0 "[ . 1 . 2]" 1 139 PRO 0.691 0.142 2 0 "[ . 1 . 2]" 1 140 GLY 0.530 0.142 2 0 "[ . 1 . 2]" 1 141 LYS 0.000 0.000 . 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 89 PHE QD 1 107 PHE QE 3.000 . 6.000 5.347 4.320 6.026 0.026 2 0 "[ . 1 . 2]" 1 2 1 88 LEU MD2 1 89 PHE QD 3.000 . 6.500 4.854 4.197 5.606 . 0 0 "[ . 1 . 2]" 1 3 1 77 THR HG1 1 99 ILE MD 3.000 . 6.500 3.948 3.253 5.326 . 0 0 "[ . 1 . 2]" 1 4 1 99 ILE MD 1 105 ALA MB 3.000 . 5.500 4.218 3.566 4.707 . 0 0 "[ . 1 . 2]" 1 5 1 100 VAL MG1 1 106 ILE MD 3.000 . 6.000 4.204 3.399 4.978 . 0 0 "[ . 1 . 2]" 1 6 1 100 VAL MG1 1 106 ILE QG 3.000 . 6.000 5.270 4.428 6.014 0.014 10 0 "[ . 1 . 2]" 1 7 1 116 TRP HH2 1 138 TYR QE 3.000 . 6.000 4.900 3.187 6.016 0.016 5 0 "[ . 1 . 2]" 1 8 1 116 TRP HH2 1 138 TYR QD 3.000 . 6.000 4.126 2.170 5.874 . 0 0 "[ . 1 . 2]" 1 9 1 64 MET ME 1 118 ILE HB 3.000 . 6.000 4.876 3.427 5.816 . 0 0 "[ . 1 . 2]" 1 10 1 88 LEU MD1 1 118 ILE MD 3.000 . 6.000 3.290 2.005 4.846 . 0 0 "[ . 1 . 2]" 1 11 1 88 LEU MD2 1 118 ILE QG 3.000 . 6.000 2.048 1.798 2.289 0.002 10 0 "[ . 1 . 2]" 1 12 1 121 PHE QE 1 122 LEU MD1 3.000 . 6.000 5.888 5.036 6.049 0.049 11 0 "[ . 1 . 2]" 1 13 1 3 ILE HA 1 6 TYR H 2.000 . 5.000 3.856 3.296 4.874 . 0 0 "[ . 1 . 2]" 1 14 1 4 ARG HA 1 5 ASP H 2.000 . 4.000 3.503 3.385 3.564 . 0 0 "[ . 1 . 2]" 1 15 1 4 ARG QB 1 5 ASP H 2.000 . 4.000 2.776 2.306 3.464 . 0 0 "[ . 1 . 2]" 1 16 1 5 ASP HA 1 6 TYR H 2.000 . 4.000 3.555 3.542 3.573 . 0 0 "[ . 1 . 2]" 1 17 1 5 ASP H 1 6 TYR H 2.000 . 4.000 2.809 2.726 2.889 . 0 0 "[ . 1 . 2]" 1 18 1 7 ASN HA 1 8 ASP H 2.000 . 4.000 3.558 3.544 3.581 . 0 0 "[ . 1 . 2]" 1 19 1 10 ASP HA 1 13 ARG H 2.000 . 5.000 3.735 3.114 4.315 . 0 0 "[ . 1 . 2]" 1 20 1 10 ASP QB 1 11 MET H 2.000 . 4.000 2.578 2.205 2.961 . 0 0 "[ . 1 . 2]" 1 21 1 11 MET ME 1 12 ALA H 2.000 . 6.000 5.010 4.758 6.094 0.094 14 0 "[ . 1 . 2]" 1 22 1 12 ALA H 1 14 LEU H 2.000 . 5.000 4.080 3.749 4.652 . 0 0 "[ . 1 . 2]" 1 23 1 13 ARG H 1 14 LEU H 2.000 . 4.000 2.637 2.460 2.983 . 0 0 "[ . 1 . 2]" 1 24 1 13 ARG QB 1 14 LEU H 2.000 . 4.000 2.882 2.205 3.361 . 0 0 "[ . 1 . 2]" 1 25 1 14 LEU HA 1 15 LEU H 2.000 . 4.000 3.557 3.454 3.598 . 0 0 "[ . 1 . 2]" 1 26 1 20 LYS QB 1 21 ASP H 2.000 . 4.000 2.661 2.331 2.951 . 0 0 "[ . 1 . 2]" 1 27 1 21 ASP HA 1 22 ASP H 2.000 . 4.000 3.561 3.513 3.598 . 0 0 "[ . 1 . 2]" 1 28 1 22 ASP HA 1 25 GLU H 2.000 . 5.000 3.358 2.890 3.714 . 0 0 "[ . 1 . 2]" 1 29 1 23 ASP H 1 24 ILE HG13 2.000 . 4.500 4.464 4.281 4.547 0.047 18 0 "[ . 1 . 2]" 1 30 1 63 MET H 1 134 GLU H 2.000 . 6.000 3.382 2.536 4.273 . 0 0 "[ . 1 . 2]" 1 31 1 66 VAL MG1 1 122 LEU H 2.000 . 6.500 5.736 5.339 6.377 . 0 0 "[ . 1 . 2]" 1 32 1 68 VAL QG 1 69 SER H 2.000 . 4.000 2.912 1.979 3.158 . 0 0 "[ . 1 . 2]" 1 33 1 71 ASN HD21 1 73 THR HB 2.000 . 4.000 3.140 1.916 4.064 0.064 9 0 "[ . 1 . 2]" 1 34 1 71 ASN HD22 1 73 THR HB 2.000 . 4.000 3.245 1.901 4.153 0.153 4 0 "[ . 1 . 2]" 1 35 1 73 THR HB 1 75 LYS H 2.000 . 4.000 3.329 2.620 4.024 0.024 1 0 "[ . 1 . 2]" 1 36 1 74 GLU HB2 1 75 LYS H 2.000 . 4.000 3.283 2.553 4.064 0.064 6 0 "[ . 1 . 2]" 1 37 1 75 LYS HB3 1 76 GLU H 2.000 . 4.000 3.535 3.143 4.126 0.126 3 0 "[ . 1 . 2]" 1 38 1 81 THR HA 1 84 TRP H 2.000 . 4.000 3.226 2.996 3.764 . 0 0 "[ . 1 . 2]" 1 39 1 83 LEU QD 1 84 TRP H 2.000 . 5.500 3.993 3.806 4.106 . 0 0 "[ . 1 . 2]" 1 40 1 87 SER H 1 88 LEU H 2.000 . 4.000 2.671 2.478 2.923 . 0 0 "[ . 1 . 2]" 1 41 1 90 ASN HA 1 91 ALA H 2.000 . 4.000 3.492 3.431 3.557 . 0 0 "[ . 1 . 2]" 1 42 1 92 ASN HA 1 93 TYR H 2.000 . 4.000 2.696 2.254 3.185 . 0 0 "[ . 1 . 2]" 1 43 1 90 ASN H 1 93 TYR H 2.000 . 5.000 4.888 4.580 5.105 0.105 9 0 "[ . 1 . 2]" 1 44 1 92 ASN H 1 93 TYR H 2.000 . 4.000 2.797 2.519 3.287 . 0 0 "[ . 1 . 2]" 1 45 1 96 GLN QB 1 97 ARG H 2.000 . 4.000 3.646 2.603 3.931 . 0 0 "[ . 1 . 2]" 1 46 1 97 ARG HA 1 108 MET H 2.000 . 5.000 3.335 2.681 3.812 . 0 0 "[ . 1 . 2]" 1 47 1 97 ARG H 1 98 PHE QD 2.000 . 5.000 4.583 3.394 5.056 0.056 8 0 "[ . 1 . 2]" 1 48 1 99 ILE QG 1 100 VAL H 2.000 . 5.000 3.526 3.197 3.591 . 0 0 "[ . 1 . 2]" 1 49 1 103 ASP HA 1 104 ARG H 2.000 . 4.000 3.415 3.133 3.583 . 0 0 "[ . 1 . 2]" 1 50 1 109 LEU QB 1 111 ASP H 2.000 . 4.000 3.011 1.916 4.012 0.012 9 0 "[ . 1 . 2]" 1 51 1 110 ARG H 1 111 ASP HA 2.000 . 5.000 4.965 4.643 5.170 0.170 12 0 "[ . 1 . 2]" 1 52 1 131 VAL HA 1 132 THR H 2.000 . 4.000 2.182 2.133 2.247 . 0 0 "[ . 1 . 2]" 1 53 1 131 VAL QG 1 132 THR H 2.000 . 4.000 2.560 2.148 3.087 . 0 0 "[ . 1 . 2]" 1 54 1 132 THR H 1 133 LEU HA 2.000 . 5.000 4.786 4.633 5.060 0.060 14 0 "[ . 1 . 2]" 1 55 1 1 GLY QA 1 2 ASP H 3.000 . 5.000 2.273 2.123 2.505 . 0 0 "[ . 1 . 2]" 1 56 1 2 ASP HA 1 3 ILE H 3.000 . 5.000 2.690 2.109 3.561 . 0 0 "[ . 1 . 2]" 1 57 1 3 ILE H 1 4 ARG H 3.000 . 5.000 2.661 1.975 4.178 . 0 0 "[ . 1 . 2]" 1 58 1 3 ILE QG 1 4 ARG H 3.000 . 5.000 4.244 3.500 4.536 . 0 0 "[ . 1 . 2]" 1 59 1 4 ARG H 1 5 ASP H 3.000 . 5.000 2.690 2.083 2.875 . 0 0 "[ . 1 . 2]" 1 60 1 6 TYR HA 1 7 ASN H 3.000 . 5.000 3.534 3.513 3.558 . 0 0 "[ . 1 . 2]" 1 61 1 6 TYR H 1 7 ASN H 3.000 . 5.000 2.686 2.524 2.789 . 0 0 "[ . 1 . 2]" 1 62 1 9 ALA HA 1 10 ASP H 3.000 . 5.000 3.588 3.561 3.618 . 0 0 "[ . 1 . 2]" 1 63 1 9 ALA MB 1 10 ASP H 3.000 . 5.000 2.256 2.048 2.490 . 0 0 "[ . 1 . 2]" 1 64 1 11 MET HA 1 12 ALA H 3.000 . 5.000 3.580 3.557 3.611 . 0 0 "[ . 1 . 2]" 1 65 1 11 MET H 1 13 ARG H 3.000 . 6.000 4.191 3.826 4.432 . 0 0 "[ . 1 . 2]" 1 66 1 12 ALA HA 1 13 ARG H 3.000 . 5.000 3.545 3.511 3.578 . 0 0 "[ . 1 . 2]" 1 67 1 12 ALA MB 1 13 ARG H 3.000 . 5.000 2.452 2.323 2.656 . 0 0 "[ . 1 . 2]" 1 68 1 12 ALA H 1 13 ARG H 3.000 . 5.000 2.698 2.535 2.829 . 0 0 "[ . 1 . 2]" 1 69 1 13 ARG H 1 15 LEU H 3.000 . 6.000 4.325 3.983 4.510 . 0 0 "[ . 1 . 2]" 1 70 1 15 LEU HA 1 16 GLU H 3.000 . 5.000 3.438 3.354 3.507 . 0 0 "[ . 1 . 2]" 1 71 1 21 ASP HA 1 24 ILE H 3.000 . 5.000 3.342 3.053 3.569 . 0 0 "[ . 1 . 2]" 1 72 1 20 LYS H 1 21 ASP H 3.000 . 5.000 2.773 2.648 2.950 . 0 0 "[ . 1 . 2]" 1 73 1 23 ASP HA 1 27 GLY H 3.000 . 6.000 4.629 3.917 5.124 . 0 0 "[ . 1 . 2]" 1 74 1 24 ILE HA 1 25 GLU H 3.000 . 5.000 3.527 3.506 3.551 . 0 0 "[ . 1 . 2]" 1 75 1 24 ILE H 1 25 GLU H 3.000 . 5.000 2.631 2.478 2.742 . 0 0 "[ . 1 . 2]" 1 76 1 25 GLU HA 1 26 GLU H 3.000 . 5.000 3.518 3.449 3.556 . 0 0 "[ . 1 . 2]" 1 77 1 25 GLU HB2 1 26 GLU H 3.000 . 5.000 3.168 2.619 4.159 . 0 0 "[ . 1 . 2]" 1 78 1 25 GLU HG3 1 26 GLU H 3.000 . 5.000 4.864 4.064 5.124 0.124 20 0 "[ . 1 . 2]" 1 79 1 26 GLU HA 1 27 GLY H 3.000 . 5.000 3.397 3.250 3.488 . 0 0 "[ . 1 . 2]" 1 80 1 26 GLU HB3 1 27 GLY H 3.000 . 5.000 3.390 2.860 4.007 . 0 0 "[ . 1 . 2]" 1 81 1 27 GLY QA 1 28 ASP H 3.000 . 5.000 2.817 2.634 2.922 . 0 0 "[ . 1 . 2]" 1 82 1 28 ASP HA 1 29 LEU H 3.000 . 5.000 2.214 2.137 2.393 . 0 0 "[ . 1 . 2]" 1 83 1 63 MET HB2 1 107 PHE H 3.000 . 6.000 5.869 5.067 6.157 0.157 20 0 "[ . 1 . 2]" 1 84 1 65 PHE QB 1 66 VAL H 3.000 . 5.000 3.411 3.070 3.717 . 0 0 "[ . 1 . 2]" 1 85 1 65 PHE QD 1 107 PHE H 3.000 . 6.000 5.040 4.041 5.699 . 0 0 "[ . 1 . 2]" 1 86 1 66 VAL H 1 105 ALA H 3.000 . 5.000 3.318 2.935 3.659 . 0 0 "[ . 1 . 2]" 1 87 1 66 VAL MG1 1 67 THR H 3.000 . 5.000 3.164 2.280 3.393 . 0 0 "[ . 1 . 2]" 1 88 1 66 VAL QG 1 67 THR H 3.000 . 5.000 3.080 2.268 3.280 . 0 0 "[ . 1 . 2]" 1 89 1 67 THR HA 1 68 VAL H 3.000 . 5.000 2.168 2.123 2.204 . 0 0 "[ . 1 . 2]" 1 90 1 68 VAL HA 1 69 SER H 3.000 . 5.000 3.559 3.521 3.575 . 0 0 "[ . 1 . 2]" 1 91 1 69 SER HA 1 70 GLY H 2.000 . 3.500 3.553 3.501 3.572 0.072 10 0 "[ . 1 . 2]" 1 92 1 70 GLY QA 1 71 ASN H 3.000 . 5.000 2.873 2.787 2.911 . 0 0 "[ . 1 . 2]" 1 93 1 72 PRO HA 1 73 THR H 3.000 . 5.000 3.484 3.461 3.505 . 0 0 "[ . 1 . 2]" 1 94 1 71 ASN HD22 1 72 PRO HD3 3.000 . 6.000 5.207 4.443 6.064 0.064 1 0 "[ . 1 . 2]" 1 95 1 73 THR HA 1 74 GLU H 3.000 . 5.000 2.210 2.082 2.578 . 0 0 "[ . 1 . 2]" 1 96 1 73 THR HB 1 74 GLU H 3.000 . 5.000 3.732 2.021 4.443 . 0 0 "[ . 1 . 2]" 1 97 1 73 THR HG1 1 74 GLU H 3.000 . 5.000 4.627 3.746 5.085 0.085 2 0 "[ . 1 . 2]" 1 98 1 74 GLU H 1 75 LYS H 3.000 . 5.000 2.727 1.988 3.121 . 0 0 "[ . 1 . 2]" 1 99 1 75 LYS H 1 76 GLU H 3.000 . 5.000 2.911 2.675 3.239 . 0 0 "[ . 1 . 2]" 1 100 1 76 GLU H 1 77 THR H 3.000 . 5.000 2.878 2.650 3.114 . 0 0 "[ . 1 . 2]" 1 101 1 77 THR HA 1 78 GLU H 3.000 . 5.000 3.535 3.503 3.584 . 0 0 "[ . 1 . 2]" 1 102 1 77 THR HB 1 78 GLU H 3.000 . 5.000 3.555 2.687 4.047 . 0 0 "[ . 1 . 2]" 1 103 1 77 THR HG1 1 78 GLU H 3.000 . 5.000 4.934 4.740 5.041 0.041 1 0 "[ . 1 . 2]" 1 104 1 77 THR HG1 1 104 ARG H 3.000 . 5.000 4.005 2.527 5.037 0.037 1 0 "[ . 1 . 2]" 1 105 1 77 THR HG1 1 105 ALA H 3.000 . 5.000 4.801 4.336 5.087 0.087 1 0 "[ . 1 . 2]" 1 106 1 78 GLU HA 1 81 THR H 3.000 . 5.000 4.020 3.622 4.240 . 0 0 "[ . 1 . 2]" 1 107 1 78 GLU H 1 79 GLU H 3.000 . 5.000 2.830 2.699 2.959 . 0 0 "[ . 1 . 2]" 1 108 1 79 GLU H 1 80 ILE H 3.000 . 5.000 2.794 2.622 2.967 . 0 0 "[ . 1 . 2]" 1 109 1 80 ILE HG12 1 81 THR H 3.000 . 5.000 4.904 4.744 5.072 0.072 3 0 "[ . 1 . 2]" 1 110 1 80 ILE H 1 81 THR H 3.000 . 5.000 2.716 2.600 2.908 . 0 0 "[ . 1 . 2]" 1 111 1 81 THR HA 1 85 GLN H 3.000 . 5.000 3.920 3.546 4.196 . 0 0 "[ . 1 . 2]" 1 112 1 81 THR HG1 1 82 SER H 3.000 . 5.000 4.480 4.276 4.774 . 0 0 "[ . 1 . 2]" 1 113 1 82 SER HA 1 85 GLN H 3.000 . 5.000 3.457 3.230 3.832 . 0 0 "[ . 1 . 2]" 1 114 1 82 SER H 1 83 LEU H 3.000 . 5.000 2.687 2.518 2.806 . 0 0 "[ . 1 . 2]" 1 115 1 83 LEU H 1 84 TRP H 3.000 . 5.000 2.712 2.617 2.778 . 0 0 "[ . 1 . 2]" 1 116 1 84 TRP H 1 85 GLN H 3.000 . 5.000 2.736 2.584 2.921 . 0 0 "[ . 1 . 2]" 1 117 1 86 GLY HA3 1 87 SER H 3.000 . 5.000 2.938 2.493 3.156 . 0 0 "[ . 1 . 2]" 1 118 1 86 GLY H 1 87 SER H 3.000 . 5.000 2.862 2.447 3.161 . 0 0 "[ . 1 . 2]" 1 119 1 87 SER QB 1 88 LEU H 3.000 . 5.000 2.202 2.046 2.436 . 0 0 "[ . 1 . 2]" 1 120 1 87 SER QB 1 89 PHE H 3.000 . 5.000 4.609 4.379 4.889 . 0 0 "[ . 1 . 2]" 1 121 1 88 LEU MD2 1 122 LEU H 3.000 . 5.500 5.476 4.490 5.604 0.104 6 0 "[ . 1 . 2]" 1 122 1 89 PHE HB3 1 90 ASN H 3.000 . 5.000 4.009 3.672 4.326 . 0 0 "[ . 1 . 2]" 1 123 1 89 PHE HB2 1 90 ASN H 3.000 . 5.000 3.233 2.886 3.647 . 0 0 "[ . 1 . 2]" 1 124 1 88 LEU H 1 89 PHE H 3.000 . 5.000 2.774 2.568 2.921 . 0 0 "[ . 1 . 2]" 1 125 1 89 PHE H 1 90 ASN H 3.000 . 5.000 2.514 2.256 2.614 . 0 0 "[ . 1 . 2]" 1 126 1 89 PHE H 1 93 TYR H 3.000 . 5.500 4.711 4.084 5.134 . 0 0 "[ . 1 . 2]" 1 127 1 88 LEU H 1 90 ASN H 3.000 . 5.000 3.965 3.714 4.283 . 0 0 "[ . 1 . 2]" 1 128 1 90 ASN H 1 91 ALA H 3.000 . 5.000 2.382 2.033 2.574 . 0 0 "[ . 1 . 2]" 1 129 1 90 ASN QB 1 91 ALA H 3.000 . 5.000 2.743 2.379 3.001 . 0 0 "[ . 1 . 2]" 1 130 1 90 ASN QD 1 91 ALA H 3.000 . 5.000 4.586 4.292 5.057 0.057 20 0 "[ . 1 . 2]" 1 131 1 91 ALA HA 1 92 ASN H 3.000 . 5.000 3.221 3.111 3.374 . 0 0 "[ . 1 . 2]" 1 132 1 91 ALA H 1 92 ASN H 3.000 . 5.000 2.465 2.218 2.606 . 0 0 "[ . 1 . 2]" 1 133 1 91 ALA H 1 93 TYR H 3.000 . 5.000 4.042 3.419 4.822 . 0 0 "[ . 1 . 2]" 1 134 1 91 ALA MB 1 92 ASN H 3.000 . 5.000 3.300 3.011 3.479 . 0 0 "[ . 1 . 2]" 1 135 1 91 ALA MB 1 93 TYR H 3.000 . 5.000 3.696 3.004 4.618 . 0 0 "[ . 1 . 2]" 1 136 1 94 ASP HA 1 95 VAL H 3.000 . 5.000 2.436 2.166 3.086 . 0 0 "[ . 1 . 2]" 1 137 1 94 ASP H 1 95 VAL H 3.000 . 5.000 3.640 2.545 4.137 . 0 0 "[ . 1 . 2]" 1 138 1 95 VAL HA 1 96 GLN H 3.000 . 5.000 2.398 2.137 2.621 . 0 0 "[ . 1 . 2]" 1 139 1 94 ASP H 1 95 VAL QG 3.000 . 5.000 3.593 3.042 4.147 . 0 0 "[ . 1 . 2]" 1 140 1 96 GLN HE22 1 97 ARG H 3.000 . 6.000 4.933 4.139 6.003 0.003 9 0 "[ . 1 . 2]" 1 141 1 97 ARG HA 1 98 PHE H 3.000 . 5.000 2.179 2.117 2.351 . 0 0 "[ . 1 . 2]" 1 142 1 98 PHE HA 1 99 ILE H 3.000 . 5.000 2.181 2.108 2.321 . 0 0 "[ . 1 . 2]" 1 143 1 98 PHE HA 1 106 ILE H 3.000 . 6.000 5.099 4.979 5.178 . 0 0 "[ . 1 . 2]" 1 144 1 99 ILE QG 1 101 GLY H 3.000 . 5.500 4.820 4.512 5.235 . 0 0 "[ . 1 . 2]" 1 145 1 99 ILE QG 1 104 ARG H 3.000 . 6.300 5.577 4.597 6.320 0.020 11 0 "[ . 1 . 2]" 1 146 1 100 VAL HA 1 101 GLY H 3.000 . 5.500 2.228 2.163 2.311 . 0 0 "[ . 1 . 2]" 1 147 1 98 PHE H 1 100 VAL MG1 3.000 . 6.500 5.048 4.387 5.771 . 0 0 "[ . 1 . 2]" 1 148 1 100 VAL MG1 1 101 GLY H 3.000 . 5.500 3.937 3.759 4.128 . 0 0 "[ . 1 . 2]" 1 149 1 102 SER H 1 103 ASP H 3.000 . 5.000 2.972 2.776 3.241 . 0 0 "[ . 1 . 2]" 1 150 1 102 SER QB 1 103 ASP H 3.000 . 5.000 2.864 2.413 3.295 . 0 0 "[ . 1 . 2]" 1 151 1 103 ASP H 1 104 ARG H 3.000 . 5.000 2.592 2.006 2.964 . 0 0 "[ . 1 . 2]" 1 152 1 104 ARG HA 1 105 ALA H 3.000 . 5.000 2.178 2.123 2.287 . 0 0 "[ . 1 . 2]" 1 153 1 104 ARG QB 1 105 ALA H 3.000 . 5.000 3.098 2.406 3.867 . 0 0 "[ . 1 . 2]" 1 154 1 100 VAL H 1 105 ALA HA 3.000 . 5.500 3.415 2.854 4.074 . 0 0 "[ . 1 . 2]" 1 155 1 105 ALA HA 1 106 ILE H 3.000 . 6.000 2.284 2.190 2.445 . 0 0 "[ . 1 . 2]" 1 156 1 105 ALA MB 1 106 ILE H 3.000 . 6.000 2.940 2.567 3.207 . 0 0 "[ . 1 . 2]" 1 157 1 98 PHE H 1 106 ILE H 3.000 . 6.000 3.296 3.081 3.556 . 0 0 "[ . 1 . 2]" 1 158 1 106 ILE QG 1 107 PHE H 3.000 . 6.000 2.488 2.151 2.782 . 0 0 "[ . 1 . 2]" 1 159 1 106 ILE QG 1 108 MET H 3.000 . 6.000 4.023 3.395 4.636 . 0 0 "[ . 1 . 2]" 1 160 1 64 MET H 1 107 PHE H 3.000 . 5.000 3.197 2.841 3.501 . 0 0 "[ . 1 . 2]" 1 161 1 64 MET H 1 108 MET HA 3.000 . 5.000 3.410 2.994 4.003 . 0 0 "[ . 1 . 2]" 1 162 1 108 MET HA 1 109 LEU H 3.000 . 5.000 2.149 2.090 2.207 . 0 0 "[ . 1 . 2]" 1 163 1 111 ASP HA 1 113 SER H 3.000 . 6.000 4.290 3.621 5.947 . 0 0 "[ . 1 . 2]" 1 164 1 113 SER QB 1 114 TYR H 3.000 . 5.500 2.567 1.914 3.068 . 0 0 "[ . 1 . 2]" 1 165 1 114 TYR H 1 115 ALA H 3.000 . 5.500 2.756 2.350 3.232 . 0 0 "[ . 1 . 2]" 1 166 1 115 ALA H 1 116 TRP H 3.000 . 5.000 2.772 2.626 2.906 . 0 0 "[ . 1 . 2]" 1 167 1 115 ALA MB 1 116 TRP H 3.000 . 5.000 2.459 2.224 2.657 . 0 0 "[ . 1 . 2]" 1 168 1 116 TRP QB 1 117 GLU H 3.000 . 5.000 2.960 2.731 3.234 . 0 0 "[ . 1 . 2]" 1 169 1 118 ILE QG 1 122 LEU H 3.000 . 5.000 4.255 3.783 5.309 0.309 9 0 "[ . 1 . 2]" 1 170 1 119 LYS QB 1 120 ASP H 3.000 . 5.000 2.410 2.207 2.562 . 0 0 "[ . 1 . 2]" 1 171 1 120 ASP H 1 121 PHE H 3.000 . 5.000 2.694 2.569 2.783 . 0 0 "[ . 1 . 2]" 1 172 1 120 ASP QB 1 121 PHE H 3.000 . 5.000 2.688 2.489 2.961 . 0 0 "[ . 1 . 2]" 1 173 1 121 PHE HA 1 124 SER H 3.000 . 5.000 3.411 3.202 3.721 . 0 0 "[ . 1 . 2]" 1 174 1 121 PHE H 1 122 LEU H 3.000 . 5.000 2.629 2.505 2.813 . 0 0 "[ . 1 . 2]" 1 175 1 121 PHE QB 1 122 LEU H 3.000 . 5.000 2.559 2.305 2.759 . 0 0 "[ . 1 . 2]" 1 176 1 121 PHE QD 1 122 LEU H 3.000 . 5.000 3.424 2.963 3.701 . 0 0 "[ . 1 . 2]" 1 177 1 120 ASP H 1 122 LEU H 3.000 . 5.000 4.204 3.965 4.469 . 0 0 "[ . 1 . 2]" 1 178 1 123 VAL H 1 124 SER H 3.000 . 5.000 2.452 2.346 2.544 . 0 0 "[ . 1 . 2]" 1 179 1 120 ASP H 1 123 VAL QG 3.000 . 5.000 3.873 3.814 3.957 . 0 0 "[ . 1 . 2]" 1 180 1 123 VAL QG 1 124 SER H 3.000 . 5.000 2.640 2.377 2.846 . 0 0 "[ . 1 . 2]" 1 181 1 124 SER H 1 125 GLN H 3.000 . 5.000 2.751 2.518 3.020 . 0 0 "[ . 1 . 2]" 1 182 1 122 LEU H 1 124 SER QB 3.000 . 5.000 4.647 4.426 5.022 0.022 8 0 "[ . 1 . 2]" 1 183 1 125 GLN HA 1 126 ASP H 3.000 . 5.000 2.304 2.086 2.496 . 0 0 "[ . 1 . 2]" 1 184 1 125 GLN HG3 1 126 ASP H 3.000 . 5.000 3.915 1.890 5.124 0.124 18 0 "[ . 1 . 2]" 1 185 1 126 ASP HA 1 127 ARG H 3.000 . 5.000 3.532 3.135 3.589 . 0 0 "[ . 1 . 2]" 1 186 1 126 ASP QB 1 127 ARG H 3.000 . 5.000 2.495 2.044 3.626 . 0 0 "[ . 1 . 2]" 1 187 1 129 ALA H 1 130 GLU H 3.000 . 5.000 4.119 3.409 4.597 . 0 0 "[ . 1 . 2]" 1 188 1 67 THR H 1 130 GLU H 3.000 . 5.000 3.849 3.497 4.099 . 0 0 "[ . 1 . 2]" 1 189 1 65 PHE H 1 132 THR H 3.000 . 5.000 3.326 3.067 3.863 . 0 0 "[ . 1 . 2]" 1 190 1 139 PRO HA 1 140 GLY H 3.000 . 5.000 2.455 2.147 3.486 . 0 0 "[ . 1 . 2]" 1 191 1 139 PRO HB2 1 140 GLY H 3.000 . 5.000 3.624 2.349 4.324 . 0 0 "[ . 1 . 2]" 1 192 1 140 GLY HA3 1 141 LYS H 3.000 . 5.000 2.729 2.135 3.550 . 0 0 "[ . 1 . 2]" 1 193 1 2 ASP HB2 1 3 ILE H 4.000 . 6.000 3.739 2.261 4.476 . 0 0 "[ . 1 . 2]" 1 194 1 2 ASP H 1 3 ILE H 4.000 . 6.000 3.573 1.829 4.571 . 0 0 "[ . 1 . 2]" 1 195 1 2 ASP H 1 4 ARG H 4.000 . 6.000 4.543 2.386 5.516 . 0 0 "[ . 1 . 2]" 1 196 1 3 ILE HA 1 4 ARG H 4.000 . 6.000 3.035 2.201 3.544 . 0 0 "[ . 1 . 2]" 1 197 1 4 ARG H 1 7 ASN HD22 4.000 . 6.000 5.263 4.598 6.052 0.052 17 0 "[ . 1 . 2]" 1 198 1 4 ARG QG 1 5 ASP H 4.000 . 6.000 3.944 2.188 4.444 . 0 0 "[ . 1 . 2]" 1 199 1 6 TYR QD 1 7 ASN HD21 4.000 . 6.000 3.000 1.774 4.860 0.026 7 0 "[ . 1 . 2]" 1 200 1 12 ALA HA 1 14 LEU H 4.000 . 6.000 4.327 3.990 4.845 . 0 0 "[ . 1 . 2]" 1 201 1 12 ALA HA 1 15 LEU H 4.000 . 6.000 3.760 3.299 4.047 . 0 0 "[ . 1 . 2]" 1 202 1 13 ARG HA 1 15 LEU H 4.000 . 6.000 4.737 4.395 4.987 . 0 0 "[ . 1 . 2]" 1 203 1 13 ARG QD 1 14 LEU H 4.000 . 6.000 5.049 4.262 5.459 . 0 0 "[ . 1 . 2]" 1 204 1 23 ASP H 1 24 ILE HB 4.000 . 6.000 4.809 4.601 4.933 . 0 0 "[ . 1 . 2]" 1 205 1 23 ASP H 1 24 ILE H 4.000 . 6.000 2.658 2.489 2.799 . 0 0 "[ . 1 . 2]" 1 206 1 21 ASP H 1 24 ILE MD 4.000 . 6.000 4.290 3.869 4.677 . 0 0 "[ . 1 . 2]" 1 207 1 24 ILE QG 1 25 GLU H 4.000 . 6.000 4.101 4.030 4.224 . 0 0 "[ . 1 . 2]" 1 208 1 26 GLU QG 1 27 GLY H 4.000 . 6.000 4.186 3.892 4.497 . 0 0 "[ . 1 . 2]" 1 209 1 27 GLY H 1 28 ASP H 4.000 . 6.000 2.310 2.202 2.588 . 0 0 "[ . 1 . 2]" 1 210 1 28 ASP QB 1 29 LEU H 4.000 . 6.000 3.277 2.489 3.921 . 0 0 "[ . 1 . 2]" 1 211 1 28 ASP H 1 29 LEU H 4.000 . 6.000 4.224 3.927 4.379 . 0 0 "[ . 1 . 2]" 1 212 1 65 PHE QB 1 132 THR H 4.000 . 6.000 3.543 3.128 3.894 . 0 0 "[ . 1 . 2]" 1 213 1 66 VAL H 1 67 THR H 4.000 . 6.000 4.164 3.979 4.575 . 0 0 "[ . 1 . 2]" 1 214 1 74 GLU H 1 76 GLU H 4.000 . 6.000 4.839 4.400 5.344 . 0 0 "[ . 1 . 2]" 1 215 1 75 LYS HA 1 76 GLU H 4.000 . 6.000 3.529 3.473 3.603 . 0 0 "[ . 1 . 2]" 1 216 1 75 LYS H 1 77 THR H 4.000 . 6.000 4.690 4.248 5.257 . 0 0 "[ . 1 . 2]" 1 217 1 80 ILE HA 1 83 LEU H 4.000 . 6.000 3.398 3.219 3.944 . 0 0 "[ . 1 . 2]" 1 218 1 80 ILE MD 1 81 THR H 4.000 . 6.000 4.600 4.322 4.732 . 0 0 "[ . 1 . 2]" 1 219 1 80 ILE QG 1 81 THR H 4.000 . 6.000 3.909 3.686 4.439 . 0 0 "[ . 1 . 2]" 1 220 1 83 LEU H 1 85 GLN H 4.000 . 6.000 4.167 3.992 4.514 . 0 0 "[ . 1 . 2]" 1 221 1 83 LEU H 1 84 TRP HA 4.000 . 6.000 5.314 5.247 5.369 . 0 0 "[ . 1 . 2]" 1 222 1 86 GLY HA3 1 90 ASN HD21 4.000 . 6.000 5.602 3.643 6.092 0.092 11 0 "[ . 1 . 2]" 1 223 1 86 GLY QA 1 90 ASN HD21 4.000 . 6.000 4.828 2.519 5.530 . 0 0 "[ . 1 . 2]" 1 224 1 87 SER QB 1 90 ASN HD21 4.000 . 6.000 5.286 4.487 5.934 . 0 0 "[ . 1 . 2]" 1 225 1 88 LEU HA 1 91 ALA H 4.000 . 6.000 3.555 3.366 3.777 . 0 0 "[ . 1 . 2]" 1 226 1 90 ASN HA 1 92 ASN H 4.000 . 6.000 3.522 3.206 3.850 . 0 0 "[ . 1 . 2]" 1 227 1 91 ALA HA 1 93 TYR H 4.000 . 6.000 5.182 4.408 6.028 0.028 1 0 "[ . 1 . 2]" 1 228 1 90 ASN HD21 1 91 ALA H 4.000 . 6.000 4.819 4.508 5.316 . 0 0 "[ . 1 . 2]" 1 229 1 91 ALA H 1 92 ASN HA 4.000 . 6.000 4.651 4.435 4.822 . 0 0 "[ . 1 . 2]" 1 230 1 93 TYR QD 1 94 ASP H 4.000 . 6.000 4.075 3.288 4.912 . 0 0 "[ . 1 . 2]" 1 231 1 94 ASP HB2 1 95 VAL H 4.000 . 6.000 4.483 3.863 4.632 . 0 0 "[ . 1 . 2]" 1 232 1 96 GLN H 1 108 MET H 4.000 . 6.000 3.365 2.763 3.750 . 0 0 "[ . 1 . 2]" 1 233 1 99 ILE HA 1 106 ILE H 4.000 . 6.500 3.564 3.330 3.786 . 0 0 "[ . 1 . 2]" 1 234 1 101 GLY H 1 104 ARG H 4.000 . 6.000 5.587 5.123 5.932 . 0 0 "[ . 1 . 2]" 1 235 1 104 ARG QD 1 105 ALA H 4.000 . 6.000 4.804 3.346 5.317 . 0 0 "[ . 1 . 2]" 1 236 1 104 ARG H 1 105 ALA H 4.000 . 6.000 4.363 4.268 4.572 . 0 0 "[ . 1 . 2]" 1 237 1 98 PHE H 1 105 ALA MB 4.000 . 6.000 4.730 4.438 5.250 . 0 0 "[ . 1 . 2]" 1 238 1 98 PHE H 1 106 ILE HB 4.000 . 6.000 4.963 4.678 5.297 . 0 0 "[ . 1 . 2]" 1 239 1 98 PHE H 1 106 ILE QG 4.000 . 6.000 4.152 3.735 4.404 . 0 0 "[ . 1 . 2]" 1 240 1 107 PHE HB2 1 108 MET H 4.000 . 6.000 4.302 3.961 4.507 . 0 0 "[ . 1 . 2]" 1 241 1 109 LEU QD 1 111 ASP H 4.000 . 6.000 3.849 2.519 4.852 . 0 0 "[ . 1 . 2]" 1 242 1 113 SER HA 1 114 TYR H 4.000 . 6.000 3.493 3.362 3.584 . 0 0 "[ . 1 . 2]" 1 243 1 114 TYR HB2 1 115 ALA H 4.000 . 6.000 4.432 4.371 4.507 . 0 0 "[ . 1 . 2]" 1 244 1 119 LYS HA 1 122 LEU H 4.000 . 6.000 3.514 3.242 3.776 . 0 0 "[ . 1 . 2]" 1 245 1 122 LEU HB3 1 123 VAL H 4.000 . 6.000 3.662 3.511 3.820 . 0 0 "[ . 1 . 2]" 1 246 1 124 SER HA 1 125 GLN H 4.000 . 6.000 3.216 3.153 3.275 . 0 0 "[ . 1 . 2]" 1 247 1 133 LEU HB3 1 134 GLU H 4.000 . 6.000 3.064 2.213 4.156 . 0 0 "[ . 1 . 2]" 1 248 1 139 PRO HB3 1 140 GLY H 4.000 . 6.000 4.125 3.497 4.705 . 0 0 "[ . 1 . 2]" 1 249 1 140 GLY H 1 141 LYS H 4.000 . 6.000 3.575 2.153 4.521 . 0 0 "[ . 1 . 2]" 1 250 1 6 TYR HA 1 9 ALA H 3.000 . 6.000 4.186 3.834 4.445 . 0 0 "[ . 1 . 2]" 1 251 1 8 ASP HA 1 11 MET H 3.000 . 6.000 4.661 4.469 4.823 . 0 0 "[ . 1 . 2]" 1 252 1 13 ARG HA 1 14 LEU H 3.000 . 6.000 3.487 3.326 3.593 . 0 0 "[ . 1 . 2]" 1 253 1 13 ARG HA 1 16 GLU H 3.000 . 6.000 3.680 3.189 4.323 . 0 0 "[ . 1 . 2]" 1 254 1 20 LYS HA 1 21 ASP H 3.000 . 6.000 3.547 3.490 3.577 . 0 0 "[ . 1 . 2]" 1 255 1 20 LYS HA 1 23 ASP H 3.000 . 6.000 3.555 3.155 3.945 . 0 0 "[ . 1 . 2]" 1 256 1 10 ASP QB 1 11 MET ME 2.000 . 5.000 3.601 2.765 5.217 0.217 20 0 "[ . 1 . 2]" 1 257 1 20 LYS QG 1 21 ASP HA 2.000 . 4.000 3.509 2.768 4.015 0.015 18 0 "[ . 1 . 2]" 1 258 1 63 MET ME 1 106 ILE HG13 2.000 . 6.000 5.186 3.335 6.077 0.077 16 0 "[ . 1 . 2]" 1 259 1 63 MET ME 1 106 ILE QG 2.000 . 6.000 4.672 2.819 5.579 . 0 0 "[ . 1 . 2]" 1 260 1 64 MET QB 1 131 VAL QG 2.000 . 4.000 2.213 1.884 3.204 . 0 0 "[ . 1 . 2]" 1 261 1 64 MET ME 1 115 ALA MB 2.000 . 5.000 2.607 1.862 3.793 . 0 0 "[ . 1 . 2]" 1 262 1 71 ASN HA 1 72 PRO HD2 2.000 . 4.000 2.368 1.991 2.908 . 0 0 "[ . 1 . 2]" 1 263 1 66 VAL MG1 1 80 ILE QG 2.000 . 6.500 4.873 4.097 5.597 . 0 0 "[ . 1 . 2]" 1 264 1 88 LEU MD2 1 93 TYR QE 2.000 . 5.000 3.783 2.391 5.043 0.043 16 0 "[ . 1 . 2]" 1 265 1 88 LEU MD2 1 107 PHE QD 2.000 . 5.000 4.174 2.792 5.105 0.105 17 0 "[ . 1 . 2]" 1 266 1 88 LEU HA 1 91 ALA MB 2.000 . 4.000 2.966 2.560 3.585 . 0 0 "[ . 1 . 2]" 1 267 1 78 GLU QB 1 99 ILE MD 2.000 . 5.500 3.199 2.689 3.814 . 0 0 "[ . 1 . 2]" 1 268 1 99 ILE QG 1 105 ALA HA 2.000 . 4.500 4.004 3.413 4.319 . 0 0 "[ . 1 . 2]" 1 269 1 98 PHE QD 1 106 ILE QG 2.000 . 7.000 4.322 3.406 5.250 . 0 0 "[ . 1 . 2]" 1 270 1 109 LEU QD 1 118 ILE MD 2.000 . 4.000 2.720 1.788 3.964 0.012 4 0 "[ . 1 . 2]" 1 271 1 107 PHE QD 1 118 ILE QG 2.000 . 4.500 4.490 4.087 4.594 0.094 2 0 "[ . 1 . 2]" 1 272 1 66 VAL MG1 1 122 LEU MD1 2.000 . 4.000 2.573 1.966 3.115 . 0 0 "[ . 1 . 2]" 1 273 1 66 VAL MG1 1 122 LEU MD2 2.000 . 4.000 2.906 1.798 3.726 0.002 7 0 "[ . 1 . 2]" 1 274 1 84 TRP HZ3 1 122 LEU MD2 2.000 . 4.000 3.564 2.611 4.038 0.038 10 0 "[ . 1 . 2]" 1 275 1 84 TRP QB 1 122 LEU MD2 2.000 . 4.500 3.747 3.110 4.508 0.008 9 0 "[ . 1 . 2]" 1 276 1 88 LEU MD1 1 122 LEU MD2 2.000 . 4.500 3.404 2.805 4.284 . 0 0 "[ . 1 . 2]" 1 277 1 66 VAL MG1 1 131 VAL HA 2.000 . 4.000 3.071 2.497 3.500 . 0 0 "[ . 1 . 2]" 1 278 1 62 LEU QD 1 133 LEU HA 2.000 . 6.000 4.190 3.095 5.538 . 0 0 "[ . 1 . 2]" 1 279 1 116 TRP HZ3 1 133 LEU MD1 2.000 . 4.000 2.837 2.063 4.008 0.008 7 0 "[ . 1 . 2]" 1 280 1 139 PRO HB2 1 140 GLY HA3 2.000 . 4.500 4.385 4.089 4.642 0.142 2 0 "[ . 1 . 2]" 1 281 1 21 ASP HA 1 24 ILE MD 3.000 . 6.000 2.479 2.036 2.844 . 0 0 "[ . 1 . 2]" 1 282 1 28 ASP HB2 1 29 LEU QD 3.000 . 6.600 4.634 3.810 5.112 . 0 0 "[ . 1 . 2]" 1 283 1 63 MET QB 1 65 PHE QD 3.000 . 6.000 4.634 3.758 5.660 . 0 0 "[ . 1 . 2]" 1 284 1 64 MET QB 1 133 LEU MD2 3.000 . 5.000 3.638 2.841 4.811 . 0 0 "[ . 1 . 2]" 1 285 1 64 MET ME 1 115 ALA HA 3.000 . 5.000 3.289 2.415 4.156 . 0 0 "[ . 1 . 2]" 1 286 1 64 MET ME 1 119 LYS QE 3.000 . 5.000 4.512 3.741 4.971 . 0 0 "[ . 1 . 2]" 1 287 1 64 MET ME 1 133 LEU MD2 3.000 . 5.000 2.154 1.857 2.763 . 0 0 "[ . 1 . 2]" 1 288 1 66 VAL MG1 1 67 THR HA 3.000 . 7.000 4.124 3.561 4.294 . 0 0 "[ . 1 . 2]" 1 289 1 78 GLU HA 1 99 ILE MD 3.000 . 5.500 2.288 1.867 2.576 . 0 0 "[ . 1 . 2]" 1 290 1 79 GLU HB2 1 80 ILE MD 3.000 . 6.000 4.848 2.837 5.358 . 0 0 "[ . 1 . 2]" 1 291 1 80 ILE HA 1 83 LEU HB2 3.000 . 5.000 2.915 2.595 3.387 . 0 0 "[ . 1 . 2]" 1 292 1 80 ILE HA 1 83 LEU QD 3.000 . 5.000 2.426 2.196 3.535 . 0 0 "[ . 1 . 2]" 1 293 1 80 ILE MD 1 83 LEU HB2 3.000 . 6.500 2.964 2.432 4.804 . 0 0 "[ . 1 . 2]" 1 294 1 80 ILE QG 1 84 TRP HD1 3.000 . 5.000 4.154 3.485 5.045 0.045 8 0 "[ . 1 . 2]" 1 295 1 80 ILE QG 1 84 TRP HZ3 3.000 . 6.000 4.553 3.232 5.312 . 0 0 "[ . 1 . 2]" 1 296 1 81 THR HG1 1 105 ALA HA 3.000 . 5.000 5.012 4.696 5.099 0.099 3 0 "[ . 1 . 2]" 1 297 1 84 TRP HE3 1 88 LEU MD1 3.000 . 5.000 4.615 3.801 5.037 0.037 6 0 "[ . 1 . 2]" 1 298 1 87 SER QB 1 88 LEU MD1 3.000 . 5.000 3.111 1.780 4.586 0.020 9 0 "[ . 1 . 2]" 1 299 1 88 LEU MD2 1 93 TYR QD 3.000 . 4.500 2.800 1.883 3.797 . 0 0 "[ . 1 . 2]" 1 300 1 88 LEU MD2 1 121 PHE QE 3.000 . 5.000 3.874 3.047 4.680 . 0 0 "[ . 1 . 2]" 1 301 1 91 ALA MB 1 93 TYR QD 3.000 . 4.500 2.953 2.010 3.757 . 0 0 "[ . 1 . 2]" 1 302 1 91 ALA MB 1 93 TYR QE 3.000 . 5.000 2.691 1.894 3.257 . 0 0 "[ . 1 . 2]" 1 303 1 81 THR HG1 1 99 ILE MD 3.000 . 5.500 2.745 2.344 3.400 . 0 0 "[ . 1 . 2]" 1 304 1 99 ILE MD 1 105 ALA HA 3.000 . 5.500 5.322 4.577 5.541 0.041 14 0 "[ . 1 . 2]" 1 305 1 77 THR HB 1 99 ILE QG 3.000 . 6.000 3.919 2.915 5.033 . 0 0 "[ . 1 . 2]" 1 306 1 99 ILE HA 1 105 ALA HA 3.000 . 5.500 2.901 2.559 3.207 . 0 0 "[ . 1 . 2]" 1 307 1 63 MET ME 1 106 ILE MD 3.000 . 6.000 3.647 1.991 4.573 . 0 0 "[ . 1 . 2]" 1 308 1 65 PHE QD 1 106 ILE MD 3.000 . 6.000 3.011 2.354 3.626 . 0 0 "[ . 1 . 2]" 1 309 1 65 PHE QD 1 106 ILE QG 3.000 . 6.000 3.108 2.067 3.789 . 0 0 "[ . 1 . 2]" 1 310 1 98 PHE HA 1 106 ILE QG 3.000 . 7.000 6.536 6.237 6.744 . 0 0 "[ . 1 . 2]" 1 311 1 98 PHE HB2 1 106 ILE QG 3.000 . 6.000 4.448 4.167 4.789 . 0 0 "[ . 1 . 2]" 1 312 1 106 ILE QG 1 108 MET HA 3.000 . 6.300 4.400 3.897 4.875 . 0 0 "[ . 1 . 2]" 1 313 1 62 LEU MD1 1 115 ALA HA 3.000 . 6.000 3.960 3.003 6.083 0.083 2 0 "[ . 1 . 2]" 1 314 1 115 ALA MB 1 133 LEU MD2 3.000 . 5.000 4.146 3.229 4.661 . 0 0 "[ . 1 . 2]" 1 315 1 88 LEU MD2 1 118 ILE HA 3.000 . 5.500 3.651 2.574 4.488 . 0 0 "[ . 1 . 2]" 1 316 1 88 LEU QD 1 118 ILE HA 3.000 . 5.500 3.505 2.562 4.099 . 0 0 "[ . 1 . 2]" 1 317 1 88 LEU MD2 1 118 ILE HG13 3.000 . 5.500 2.227 1.805 3.267 . 0 0 "[ . 1 . 2]" 1 318 1 93 TYR HB2 1 118 ILE MD 3.000 . 5.500 4.695 4.140 5.518 0.018 7 0 "[ . 1 . 2]" 1 319 1 93 TYR QE 1 118 ILE MD 3.000 . 5.500 4.718 3.144 5.548 0.048 10 0 "[ . 1 . 2]" 1 320 1 114 TYR QD 1 118 ILE MD 3.000 . 5.500 3.638 1.791 5.306 0.009 6 0 "[ . 1 . 2]" 1 321 1 114 TYR QE 1 118 ILE MD 3.000 . 5.500 3.363 2.167 5.052 . 0 0 "[ . 1 . 2]" 1 322 1 119 LYS HA 1 123 VAL QG 3.000 . 5.000 3.754 3.445 3.932 . 0 0 "[ . 1 . 2]" 1 323 1 88 LEU MD2 1 122 LEU HA 3.000 . 6.500 5.976 5.542 6.427 . 0 0 "[ . 1 . 2]" 1 324 1 88 LEU MD1 1 122 LEU MD1 3.000 . 6.000 4.846 3.934 5.808 . 0 0 "[ . 1 . 2]" 1 325 1 121 PHE QD 1 122 LEU MD1 3.000 . 6.000 4.602 4.003 4.757 . 0 0 "[ . 1 . 2]" 1 326 1 84 TRP HD1 1 122 LEU MD2 3.000 . 6.000 4.239 3.582 5.161 . 0 0 "[ . 1 . 2]" 1 327 1 84 TRP HE3 1 122 LEU MD2 3.000 . 5.000 3.621 2.895 4.316 . 0 0 "[ . 1 . 2]" 1 328 1 84 TRP HH2 1 122 LEU MD2 3.000 . 5.000 3.343 3.052 3.815 . 0 0 "[ . 1 . 2]" 1 329 1 121 PHE QD 1 122 LEU MD2 3.000 . 5.000 2.478 1.789 2.854 0.011 8 0 "[ . 1 . 2]" 1 330 1 133 LEU MD1 1 138 TYR QE 3.000 . 6.000 3.773 2.153 6.057 0.057 7 0 "[ . 1 . 2]" 1 331 1 116 TRP HE3 1 133 LEU MD2 3.000 . 5.000 4.480 3.375 5.066 0.066 11 0 "[ . 1 . 2]" 1 332 1 116 TRP HZ3 1 133 LEU MD2 3.000 . 5.000 3.018 1.946 3.876 . 0 0 "[ . 1 . 2]" 1 333 1 133 LEU MD2 1 138 TYR QE 3.000 . 6.000 3.966 1.808 5.957 . 0 0 "[ . 1 . 2]" 1 334 1 106 ILE QG 1 108 MET ME 4.000 . 6.000 2.879 1.952 5.060 . 0 0 "[ . 1 . 2]" 1 335 1 93 TYR QD 1 118 ILE MD 4.000 . 4.500 3.835 2.336 4.534 0.034 20 0 "[ . 1 . 2]" 1 336 1 88 LEU MD2 1 121 PHE QD 4.000 . 6.000 3.285 2.557 3.914 . 0 0 "[ . 1 . 2]" 1 337 1 84 TRP HZ2 1 122 LEU MD2 4.000 . 6.000 3.215 2.730 3.852 . 0 0 "[ . 1 . 2]" 1 338 1 116 TRP HH2 1 133 LEU MD2 4.000 . 6.000 3.802 2.619 4.509 . 0 0 "[ . 1 . 2]" 1 339 1 93 TYR QE 1 114 TYR QD 2.000 . 5.000 3.750 3.157 4.083 . 0 0 "[ . 1 . 2]" 1 340 1 93 TYR QE 1 114 TYR QE 2.000 . 5.000 4.375 3.850 4.800 . 0 0 "[ . 1 . 2]" 1 341 1 93 TYR QD 1 114 TYR QD 2.000 . 5.500 3.856 3.524 4.203 . 0 0 "[ . 1 . 2]" 1 342 1 93 TYR QD 1 114 TYR QE 2.000 . 5.000 3.406 3.027 3.698 . 0 0 "[ . 1 . 2]" 1 343 1 93 TYR HE2 1 114 TYR QD 2.000 . 5.000 4.498 3.208 4.991 . 0 0 "[ . 1 . 2]" 1 344 1 93 TYR HE1 1 114 TYR QD 2.000 . 5.000 4.285 3.666 4.979 . 0 0 "[ . 1 . 2]" 1 345 1 93 TYR HD2 1 114 TYR QE 2.000 . 5.000 4.167 3.073 4.954 . 0 0 "[ . 1 . 2]" 1 346 1 93 TYR HD1 1 114 TYR QE 2.000 . 5.000 3.867 3.366 4.979 . 0 0 "[ . 1 . 2]" 1 347 1 116 TRP HH2 1 139 PRO HB3 3.000 . 5.000 4.526 4.002 5.033 0.033 18 0 "[ . 1 . 2]" 1 348 1 67 THR HA 1 104 ARG HA 2.000 . 4.000 2.411 1.966 2.862 . 0 0 "[ . 1 . 2]" 1 349 1 66 VAL HA 1 67 THR H 2.000 . 5.000 2.178 2.146 2.248 . 0 0 "[ . 1 . 2]" 1 350 1 66 VAL HB 1 67 THR H 2.000 . 5.000 4.332 3.870 4.400 . 0 0 "[ . 1 . 2]" 1 351 1 73 THR H 1 76 GLU QB 2.000 . 5.800 5.574 4.918 6.158 0.358 4 0 "[ . 1 . 2]" 1 352 1 73 THR H 1 76 GLU QG 2.000 . 5.000 4.497 3.392 5.144 0.144 12 0 "[ . 1 . 2]" 1 353 1 73 THR H 1 75 LYS QD 2.000 . 5.300 5.394 5.312 5.563 0.263 6 0 "[ . 1 . 2]" 1 354 1 90 ASN H 1 91 ALA MB 2.000 . 5.000 4.148 3.800 4.376 . 0 0 "[ . 1 . 2]" 1 355 1 89 PHE HA 1 93 TYR H 2.000 . 5.000 2.695 2.120 3.153 . 0 0 "[ . 1 . 2]" 1 356 1 93 TYR HA 1 94 ASP H 2.000 . 5.000 2.251 2.143 2.483 . 0 0 "[ . 1 . 2]" 1 357 1 100 VAL HA 1 102 SER H 2.000 . 6.500 5.195 4.538 5.405 . 0 0 "[ . 1 . 2]" 1 358 1 99 ILE HA 1 101 GLY H 2.000 . 6.000 5.903 5.694 6.057 0.057 4 0 "[ . 1 . 2]" 1 359 1 103 ASP H 1 104 ARG QB 2.000 . 6.000 4.482 3.533 5.294 . 0 0 "[ . 1 . 2]" 1 360 1 111 ASP H 1 112 GLY H 2.000 . 5.000 4.257 3.944 4.529 . 0 0 "[ . 1 . 2]" 1 361 1 107 PHE HA 1 108 MET H 2.000 . 5.000 2.179 2.135 2.343 . 0 0 "[ . 1 . 2]" 1 362 1 63 MET QB 1 108 MET H 2.000 . 6.000 5.268 4.630 5.931 . 0 0 "[ . 1 . 2]" 1 363 1 108 MET H 1 109 LEU QD 2.000 . 5.000 3.937 3.266 4.984 . 0 0 "[ . 1 . 2]" 1 364 1 109 LEU H 1 110 ARG QG 2.000 . 6.400 5.658 4.425 6.435 0.035 20 0 "[ . 1 . 2]" 1 365 1 95 VAL HB 1 110 ARG H 2.000 . 6.000 5.754 4.960 6.110 0.110 10 0 "[ . 1 . 2]" 1 366 1 124 SER QB 1 125 GLN H 2.000 . 5.000 3.529 3.443 3.618 . 0 0 "[ . 1 . 2]" 1 367 1 123 VAL QG 1 125 GLN H 2.000 . 6.000 4.066 4.007 4.168 . 0 0 "[ . 1 . 2]" 1 368 1 88 LEU MD2 1 118 ILE HB 2.000 . 5.500 3.617 2.548 4.786 . 0 0 "[ . 1 . 2]" 1 369 1 88 LEU MD2 1 118 ILE MD 2.000 . 5.500 2.377 1.976 3.063 . 0 0 "[ . 1 . 2]" 1 370 1 88 LEU MD2 1 118 ILE MG 2.000 . 5.500 3.807 2.621 4.251 . 0 0 "[ . 1 . 2]" 1 371 1 88 LEU MD2 1 95 VAL HB 2.000 . 6.000 5.243 4.099 6.087 0.087 20 0 "[ . 1 . 2]" 1 372 1 88 LEU MD1 1 95 VAL HB 2.000 . 7.000 6.028 4.387 7.107 0.107 10 0 "[ . 1 . 2]" 1 373 1 84 TRP HH2 1 125 GLN HE21 2.000 . 5.000 4.792 3.596 5.241 0.241 1 0 "[ . 1 . 2]" 1 374 1 84 TRP HZ2 1 125 GLN HE21 2.000 . 5.000 2.604 1.724 3.585 0.076 19 0 "[ . 1 . 2]" 1 375 1 83 LEU HB2 1 125 GLN HE21 2.000 . 6.000 5.865 4.092 6.155 0.155 1 0 "[ . 1 . 2]" 1 376 1 89 PHE QD 1 93 TYR QD 2.000 . 6.000 5.700 4.374 6.059 0.059 3 0 "[ . 1 . 2]" 1 377 1 116 TRP HH2 1 139 PRO HB2 2.000 . 6.000 5.001 3.645 5.589 . 0 0 "[ . 1 . 2]" 1 378 1 116 TRP HH2 1 139 PRO QD 2.000 . 6.000 2.814 2.138 3.686 . 0 0 "[ . 1 . 2]" 1 379 1 116 TRP HZ2 1 139 PRO HB2 2.000 . 6.000 4.389 3.215 6.056 0.056 6 0 "[ . 1 . 2]" 1 380 1 84 TRP HE1 1 121 PHE QD 2.000 . 6.500 4.576 3.758 5.776 . 0 0 "[ . 1 . 2]" 1 381 1 84 TRP HE3 1 107 PHE QD 2.000 . 5.000 4.629 4.199 5.021 0.021 9 0 "[ . 1 . 2]" 1 382 1 84 TRP HE3 1 107 PHE QE 2.000 . 5.000 2.592 2.161 3.363 . 0 0 "[ . 1 . 2]" 1 383 1 84 TRP HZ3 1 107 PHE QD 2.000 . 5.000 4.334 3.915 5.020 0.020 17 0 "[ . 1 . 2]" 1 384 1 84 TRP HZ3 1 107 PHE QE 2.000 . 5.000 2.578 1.905 3.335 . 0 0 "[ . 1 . 2]" 1 385 1 84 TRP HD1 1 121 PHE QE 2.000 . 6.000 2.301 1.774 3.515 0.026 19 0 "[ . 1 . 2]" 1 386 1 84 TRP HE3 1 121 PHE QE 2.000 . 6.000 5.699 4.636 6.084 0.084 14 0 "[ . 1 . 2]" 1 387 1 107 PHE QE 1 121 PHE QE 2.000 . 6.000 5.910 4.982 6.061 0.061 9 0 "[ . 1 . 2]" 1 388 1 115 ALA MB 1 116 TRP HE3 2.000 . 4.000 2.897 2.144 3.804 . 0 0 "[ . 1 . 2]" 1 389 1 115 ALA MB 1 116 TRP HZ3 2.000 . 4.000 3.721 2.851 4.094 0.094 12 0 "[ . 1 . 2]" 1 390 1 116 TRP HZ2 1 139 PRO QG 2.000 . 4.600 2.628 1.782 3.817 0.018 1 0 "[ . 1 . 2]" 1 391 1 116 TRP HH2 1 139 PRO QG 2.000 . 4.000 2.494 1.885 3.004 . 0 0 "[ . 1 . 2]" 1 392 1 96 GLN HA 1 97 ARG QD 2.000 . 3.500 2.949 2.289 3.333 . 0 0 "[ . 1 . 2]" 1 393 1 97 ARG QG 1 98 PHE HA 2.000 . 5.000 3.774 3.444 4.165 . 0 0 "[ . 1 . 2]" 1 394 1 15 LEU QD 1 65 PHE QD 3.000 . 6.000 4.162 3.446 5.082 . 0 0 "[ . 1 . 2]" 1 395 1 15 LEU QD 1 106 ILE MD 3.000 . 5.000 1.902 1.729 2.454 0.071 11 0 "[ . 1 . 2]" 1 396 1 15 LEU QD 1 106 ILE MG 3.000 . 5.000 3.544 2.937 4.696 . 0 0 "[ . 1 . 2]" 1 397 1 14 LEU QD 1 106 ILE MD 3.000 . 5.000 3.150 2.013 4.264 . 0 0 "[ . 1 . 2]" 1 398 1 14 LEU QD 1 106 ILE MG 3.000 . 5.000 3.342 2.289 4.101 . 0 0 "[ . 1 . 2]" 1 399 1 18 TRP HD1 1 108 MET ME 3.000 . 5.500 4.811 3.548 5.537 0.037 18 0 "[ . 1 . 2]" 1 400 1 18 TRP HE1 1 108 MET ME 3.000 . 5.500 3.588 2.449 4.934 . 0 0 "[ . 1 . 2]" 1 401 1 18 TRP HZ2 1 108 MET ME 3.000 . 5.500 3.124 2.317 5.078 . 0 0 "[ . 1 . 2]" 1 402 1 18 TRP HH2 1 108 MET ME 3.000 . 5.500 3.832 2.649 4.858 . 0 0 "[ . 1 . 2]" 1 403 1 18 TRP HZ3 1 108 MET ME 3.000 . 5.500 4.676 3.544 5.539 0.039 9 0 "[ . 1 . 2]" 1 404 1 18 TRP HH2 1 108 MET QB 3.000 . 5.000 3.540 2.627 4.974 . 0 0 "[ . 1 . 2]" 1 405 1 18 TRP HZ3 1 108 MET QB 3.000 . 5.000 3.256 2.401 4.612 . 0 0 "[ . 1 . 2]" 1 406 1 18 TRP HE3 1 108 MET QB 3.000 . 5.000 4.036 3.273 4.535 . 0 0 "[ . 1 . 2]" 1 407 1 21 ASP QB 1 110 ARG QD 3.000 . 6.000 5.967 5.290 6.193 0.193 20 0 "[ . 1 . 2]" 1 408 1 22 ASP QB 1 110 ARG QD 3.000 . 5.000 4.995 4.250 5.180 0.180 1 0 "[ . 1 . 2]" 1 409 1 14 LEU QD 1 100 VAL QG 3.000 . 5.000 2.881 2.141 3.678 . 0 0 "[ . 1 . 2]" 1 410 1 15 LEU QD 1 100 VAL QG 3.000 . 6.300 4.525 3.676 5.598 . 0 0 "[ . 1 . 2]" 1 411 1 15 LEU QD 1 18 TRP HD1 3.000 . 4.000 2.919 2.415 3.588 . 0 0 "[ . 1 . 2]" 1 412 1 15 LEU QD 1 18 TRP HE1 3.000 . 5.000 3.698 2.990 4.725 . 0 0 "[ . 1 . 2]" 1 413 1 14 LEU QD 1 108 MET ME 3.000 . 6.000 3.634 2.362 6.043 0.043 19 0 "[ . 1 . 2]" 1 414 1 3 ILE MD 1 72 PRO QD 3.000 . 6.000 4.932 3.163 5.679 . 0 0 "[ . 1 . 2]" 1 415 1 3 ILE HB 1 72 PRO HA 3.000 . 6.000 4.960 3.540 6.030 0.030 12 0 "[ . 1 . 2]" 1 416 1 3 ILE MD 1 72 PRO HA 3.000 . 6.000 3.441 2.592 4.490 . 0 0 "[ . 1 . 2]" 1 417 1 3 ILE MG 1 72 PRO HA 3.000 . 6.000 4.638 3.484 5.711 . 0 0 "[ . 1 . 2]" 1 418 1 3 ILE HA 1 72 PRO QB 3.000 . 6.000 6.017 5.390 6.195 0.195 8 0 "[ . 1 . 2]" 1 419 1 3 ILE HB 1 72 PRO QB 3.000 . 6.000 4.504 3.749 6.023 0.023 12 0 "[ . 1 . 2]" 1 420 1 3 ILE MD 1 72 PRO QB 3.000 . 6.000 3.586 2.644 4.510 . 0 0 "[ . 1 . 2]" 1 421 1 3 ILE MG 1 72 PRO QB 3.000 . 6.000 4.888 3.357 5.851 . 0 0 "[ . 1 . 2]" 1 422 1 11 MET ME 1 65 PHE QD 3.000 . 6.000 3.858 2.637 5.254 . 0 0 "[ . 1 . 2]" 1 423 1 11 MET ME 1 65 PHE QE 3.000 . 6.000 3.432 1.929 4.656 . 0 0 "[ . 1 . 2]" 1 424 1 11 MET ME 1 106 ILE MG 3.000 . 5.000 2.624 2.066 3.294 . 0 0 "[ . 1 . 2]" 1 425 1 11 MET ME 1 106 ILE MD 3.000 . 5.000 2.758 2.141 3.721 . 0 0 "[ . 1 . 2]" 1 426 1 11 MET ME 1 14 LEU QD 3.000 . 5.000 2.583 1.779 4.557 0.021 2 0 "[ . 1 . 2]" 1 427 1 11 MET ME 1 15 LEU QD 3.000 . 5.000 2.833 2.214 4.297 . 0 0 "[ . 1 . 2]" 1 428 1 3 ILE MG 1 6 TYR QE 3.000 . 6.000 3.835 2.213 6.058 0.058 5 0 "[ . 1 . 2]" 1 429 1 3 ILE MG 1 6 TYR QD 3.000 . 6.000 2.946 1.847 4.544 . 0 0 "[ . 1 . 2]" 1 430 1 3 ILE MD 1 6 TYR QE 3.000 . 6.000 3.650 2.595 5.997 . 0 0 "[ . 1 . 2]" 1 431 1 3 ILE MD 1 6 TYR QD 3.000 . 6.000 2.988 2.555 4.880 . 0 0 "[ . 1 . 2]" 1 432 1 24 ILE MG 1 29 LEU QD 3.000 . 5.000 2.775 2.322 3.611 . 0 0 "[ . 1 . 2]" 1 433 1 24 ILE MD 1 29 LEU QD 3.000 . 5.000 2.867 2.503 4.005 . 0 0 "[ . 1 . 2]" 1 434 1 64 MET ME 1 116 TRP HH2 2.000 . 5.000 4.932 3.964 5.069 0.069 14 0 "[ . 1 . 2]" 1 435 1 64 MET ME 1 116 TRP HZ3 2.000 . 5.000 3.503 2.507 4.053 . 0 0 "[ . 1 . 2]" 1 436 1 116 TRP HH2 1 137 MET ME 2.000 . 5.000 3.795 2.676 5.033 0.033 13 0 "[ . 1 . 2]" 1 437 1 116 TRP HZ3 1 137 MET ME 2.000 . 5.000 4.780 3.804 5.059 0.059 15 0 "[ . 1 . 2]" 1 438 1 11 MET ME 1 106 ILE H 3.000 . 5.000 4.940 4.208 5.088 0.088 18 0 "[ . 1 . 2]" 1 439 1 12 ALA MB 1 65 PHE QE 3.000 . 6.500 5.913 5.030 6.526 0.026 12 0 "[ . 1 . 2]" 1 440 1 18 TRP HH2 1 96 GLN H 3.000 . 6.000 5.415 4.450 6.060 0.060 2 0 "[ . 1 . 2]" 1 441 1 18 TRP HH2 1 96 GLN QB 3.000 . 4.000 2.915 2.173 3.729 . 0 0 "[ . 1 . 2]" 1 442 1 18 TRP HZ3 1 96 GLN QB 3.000 . 5.000 4.166 3.278 5.089 0.089 2 0 "[ . 1 . 2]" 1 443 1 6 TYR QE 1 11 MET HA 3.000 . 6.000 5.242 4.576 6.062 0.062 11 0 "[ . 1 . 2]" 1 444 1 6 TYR QE 1 11 MET ME 3.000 . 4.000 2.756 1.928 4.037 0.037 6 0 "[ . 1 . 2]" 1 445 1 6 TYR QD 1 11 MET ME 3.000 . 5.500 4.018 2.857 5.200 . 0 0 "[ . 1 . 2]" 1 446 1 62 LEU H 1 109 LEU H 3.000 . 4.500 4.351 3.909 4.646 0.146 15 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 94 _Distance_constraint_stats_list.Viol_count 765 _Distance_constraint_stats_list.Viol_total 815.654 _Distance_constraint_stats_list.Viol_max 0.223 _Distance_constraint_stats_list.Viol_rms 0.0374 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0217 _Distance_constraint_stats_list.Viol_average_violations_only 0.0533 _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 4 ARG 0.469 0.090 7 0 "[ . 1 . 2]" 1 5 ASP 1.443 0.168 9 0 "[ . 1 . 2]" 1 6 TYR 1.284 0.136 20 0 "[ . 1 . 2]" 1 7 ASN 3.206 0.223 17 0 "[ . 1 . 2]" 1 8 ASP 3.723 0.202 8 0 "[ . 1 . 2]" 1 9 ALA 2.437 0.168 9 0 "[ . 1 . 2]" 1 10 ASP 2.304 0.137 17 0 "[ . 1 . 2]" 1 11 MET 3.459 0.223 17 0 "[ . 1 . 2]" 1 12 ALA 4.225 0.202 8 0 "[ . 1 . 2]" 1 13 ARG 0.994 0.100 8 0 "[ . 1 . 2]" 1 14 LEU 1.019 0.137 17 0 "[ . 1 . 2]" 1 15 LEU 0.253 0.121 19 0 "[ . 1 . 2]" 1 16 GLU 2.274 0.146 17 0 "[ . 1 . 2]" 1 17 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 18 TRP 1.854 0.111 14 0 "[ . 1 . 2]" 1 19 GLU 0.534 0.073 17 0 "[ . 1 . 2]" 1 20 LYS 1.362 0.146 17 0 "[ . 1 . 2]" 1 21 ASP 0.514 0.115 18 0 "[ . 1 . 2]" 1 22 ASP 2.918 0.129 15 0 "[ . 1 . 2]" 1 23 ASP 0.534 0.073 17 0 "[ . 1 . 2]" 1 24 ILE 0.059 0.024 11 0 "[ . 1 . 2]" 1 25 GLU 0.514 0.115 18 0 "[ . 1 . 2]" 1 26 GLU 1.064 0.129 15 0 "[ . 1 . 2]" 1 62 LEU 0.941 0.163 6 0 "[ . 1 . 2]" 1 63 MET 1.030 0.129 17 0 "[ . 1 . 2]" 1 64 MET 0.121 0.033 16 0 "[ . 1 . 2]" 1 65 PHE 0.293 0.046 7 0 "[ . 1 . 2]" 1 66 VAL 0.671 0.115 10 0 "[ . 1 . 2]" 1 67 THR 0.294 0.062 8 0 "[ . 1 . 2]" 1 68 VAL 1.184 0.115 7 0 "[ . 1 . 2]" 1 74 GLU 0.509 0.099 5 0 "[ . 1 . 2]" 1 75 LYS 0.920 0.094 2 0 "[ . 1 . 2]" 1 76 GLU 0.903 0.063 17 0 "[ . 1 . 2]" 1 77 THR 0.082 0.027 5 0 "[ . 1 . 2]" 1 78 GLU 1.381 0.099 2 0 "[ . 1 . 2]" 1 79 GLU 2.098 0.132 1 0 "[ . 1 . 2]" 1 80 ILE 1.259 0.087 6 0 "[ . 1 . 2]" 1 81 THR 0.177 0.055 9 0 "[ . 1 . 2]" 1 82 SER 1.719 0.099 2 0 "[ . 1 . 2]" 1 83 LEU 2.154 0.132 1 0 "[ . 1 . 2]" 1 84 TRP 0.379 0.087 6 0 "[ . 1 . 2]" 1 85 GLN 0.095 0.055 9 0 "[ . 1 . 2]" 1 86 GLY 0.847 0.088 11 0 "[ . 1 . 2]" 1 87 SER 0.976 0.084 15 0 "[ . 1 . 2]" 1 88 LEU 0.024 0.024 11 0 "[ . 1 . 2]" 1 96 GLN 3.022 0.210 16 0 "[ . 1 . 2]" 1 98 PHE 2.781 0.136 7 0 "[ . 1 . 2]" 1 103 ASP 1.184 0.115 7 0 "[ . 1 . 2]" 1 105 ALA 0.671 0.115 10 0 "[ . 1 . 2]" 1 106 ILE 2.781 0.136 7 0 "[ . 1 . 2]" 1 107 PHE 0.121 0.033 16 0 "[ . 1 . 2]" 1 108 MET 3.022 0.210 16 0 "[ . 1 . 2]" 1 109 LEU 0.941 0.163 6 0 "[ . 1 . 2]" 1 115 ALA 1.009 0.108 14 0 "[ . 1 . 2]" 1 116 TRP 0.236 0.041 12 0 "[ . 1 . 2]" 1 117 GLU 0.972 0.106 5 0 "[ . 1 . 2]" 1 118 ILE 0.138 0.036 18 0 "[ . 1 . 2]" 1 119 LYS 2.126 0.121 4 0 "[ . 1 . 2]" 1 120 ASP 2.226 0.198 15 0 "[ . 1 . 2]" 1 121 PHE 0.972 0.106 5 0 "[ . 1 . 2]" 1 122 LEU 0.138 0.036 18 0 "[ . 1 . 2]" 1 123 VAL 1.117 0.121 4 0 "[ . 1 . 2]" 1 124 SER 1.990 0.198 15 0 "[ . 1 . 2]" 1 130 GLU 0.294 0.062 8 0 "[ . 1 . 2]" 1 132 THR 0.293 0.046 7 0 "[ . 1 . 2]" 1 134 GLU 1.030 0.129 17 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 62 LEU O 1 109 LEU N 2.700 2.200 3.000 2.939 2.750 3.057 0.057 7 0 "[ . 1 . 2]" 2 2 1 62 LEU O 1 109 LEU H 1.700 . 2.000 2.021 1.848 2.163 0.163 6 0 "[ . 1 . 2]" 2 3 1 64 MET N 1 107 PHE O 2.700 2.200 3.000 2.835 2.754 2.966 . 0 0 "[ . 1 . 2]" 2 4 1 64 MET H 1 107 PHE O 1.700 . 2.000 1.882 1.805 2.017 0.017 9 0 "[ . 1 . 2]" 2 5 1 64 MET O 1 107 PHE N 2.700 2.200 3.000 2.897 2.778 3.007 0.007 3 0 "[ . 1 . 2]" 2 6 1 64 MET O 1 107 PHE H 1.700 . 2.000 1.946 1.813 2.033 0.033 16 0 "[ . 1 . 2]" 2 7 1 66 VAL N 1 105 ALA O 2.700 2.200 3.000 2.880 2.711 2.989 . 0 0 "[ . 1 . 2]" 2 8 1 66 VAL H 1 105 ALA O 1.700 . 2.000 1.975 1.852 2.055 0.055 16 0 "[ . 1 . 2]" 2 9 1 66 VAL O 1 105 ALA N 2.700 2.200 3.000 2.904 2.804 3.038 0.038 10 0 "[ . 1 . 2]" 2 10 1 66 VAL O 1 105 ALA H 1.700 . 2.000 1.980 1.852 2.115 0.115 10 0 "[ . 1 . 2]" 2 11 1 68 VAL N 1 103 ASP O 2.700 2.200 3.000 2.898 2.777 3.056 0.056 4 0 "[ . 1 . 2]" 2 12 1 68 VAL H 1 103 ASP O 1.700 . 2.000 2.049 1.955 2.115 0.115 7 0 "[ . 1 . 2]" 2 13 1 98 PHE O 1 106 ILE N 2.700 2.200 3.000 3.043 2.973 3.121 0.121 7 0 "[ . 1 . 2]" 2 14 1 98 PHE O 1 106 ILE H 1.700 . 2.000 2.074 2.006 2.136 0.136 7 0 "[ . 1 . 2]" 2 15 1 98 PHE N 1 106 ILE O 2.700 2.200 3.000 2.928 2.805 3.023 0.023 20 0 "[ . 1 . 2]" 2 16 1 98 PHE H 1 106 ILE O 1.700 . 2.000 1.987 1.859 2.083 0.083 15 0 "[ . 1 . 2]" 2 17 1 96 GLN O 1 108 MET N 2.700 2.200 3.000 2.813 2.703 2.979 . 0 0 "[ . 1 . 2]" 2 18 1 96 GLN O 1 108 MET H 1.700 . 2.000 1.882 1.780 2.019 0.019 8 0 "[ . 1 . 2]" 2 19 1 96 GLN N 1 108 MET O 2.700 2.200 3.000 3.048 2.938 3.139 0.139 16 0 "[ . 1 . 2]" 2 20 1 96 GLN H 1 108 MET O 1.700 . 2.000 2.098 1.993 2.210 0.210 16 0 "[ . 1 . 2]" 2 21 1 67 THR N 1 130 GLU O 2.700 2.200 3.000 2.766 2.571 2.912 . 0 0 "[ . 1 . 2]" 2 22 1 67 THR H 1 130 GLU O 1.700 . 2.000 1.978 1.864 2.062 0.062 8 0 "[ . 1 . 2]" 2 23 1 65 PHE O 1 132 THR N 2.700 2.200 3.000 2.887 2.715 3.000 . 0 0 "[ . 1 . 2]" 2 24 1 65 PHE O 1 132 THR H 1.700 . 2.000 1.979 1.906 2.046 0.046 7 0 "[ . 1 . 2]" 2 25 1 65 PHE N 1 132 THR O 2.700 2.200 3.000 2.827 2.732 2.964 . 0 0 "[ . 1 . 2]" 2 26 1 65 PHE H 1 132 THR O 1.700 . 2.000 1.926 1.827 2.023 0.023 13 0 "[ . 1 . 2]" 2 27 1 63 MET O 1 134 GLU N 2.700 2.200 3.000 2.906 2.638 3.071 0.071 17 0 "[ . 1 . 2]" 2 28 1 63 MET O 1 134 GLU H 1.700 . 2.000 2.032 1.907 2.129 0.129 17 0 "[ . 1 . 2]" 2 29 1 74 GLU O 1 78 GLU N 2.700 2.200 3.000 2.906 2.727 3.067 0.067 5 0 "[ . 1 . 2]" 2 30 1 74 GLU O 1 78 GLU H 1.700 . 2.000 1.963 1.789 2.099 0.099 5 0 "[ . 1 . 2]" 2 31 1 75 LYS O 1 79 GLU N 2.700 2.200 3.000 2.986 2.864 3.065 0.065 2 0 "[ . 1 . 2]" 2 32 1 75 LYS O 1 79 GLU H 1.700 . 2.000 2.014 1.907 2.094 0.094 2 0 "[ . 1 . 2]" 2 33 1 76 GLU O 1 80 ILE N 2.700 2.200 3.000 2.992 2.855 3.047 0.047 17 0 "[ . 1 . 2]" 2 34 1 76 GLU O 1 80 ILE H 1.700 . 2.000 2.024 1.921 2.063 0.063 17 0 "[ . 1 . 2]" 2 35 1 77 THR O 1 81 THR N 2.700 2.200 3.000 2.869 2.784 2.981 . 0 0 "[ . 1 . 2]" 2 36 1 77 THR O 1 81 THR H 1.700 . 2.000 1.946 1.832 2.027 0.027 5 0 "[ . 1 . 2]" 2 37 1 78 GLU O 1 82 SER N 2.700 2.200 3.000 2.919 2.766 3.019 0.019 5 0 "[ . 1 . 2]" 2 38 1 78 GLU O 1 82 SER H 1.700 . 2.000 2.039 1.943 2.099 0.099 2 0 "[ . 1 . 2]" 2 39 1 79 GLU O 1 83 LEU N 2.700 2.200 3.000 2.981 2.865 3.068 0.068 1 0 "[ . 1 . 2]" 2 40 1 79 GLU O 1 83 LEU H 1.700 . 2.000 2.048 1.982 2.132 0.132 1 0 "[ . 1 . 2]" 2 41 1 80 ILE O 1 84 TRP N 2.700 2.200 3.000 2.918 2.803 3.034 0.034 6 0 "[ . 1 . 2]" 2 42 1 80 ILE O 1 84 TRP H 1.700 . 2.000 1.976 1.885 2.087 0.087 6 0 "[ . 1 . 2]" 2 43 1 81 THR O 1 85 GLN N 2.700 2.200 3.000 2.825 2.727 2.949 . 0 0 "[ . 1 . 2]" 2 44 1 81 THR O 1 85 GLN H 1.700 . 2.000 1.919 1.812 2.055 0.055 9 0 "[ . 1 . 2]" 2 45 1 82 SER O 1 86 GLY N 2.700 2.200 3.000 2.945 2.741 3.041 0.041 20 0 "[ . 1 . 2]" 2 46 1 82 SER O 1 86 GLY H 1.700 . 2.000 2.029 1.937 2.088 0.088 11 0 "[ . 1 . 2]" 2 47 1 83 LEU O 1 87 SER N 2.700 2.200 3.000 2.826 2.686 2.997 . 0 0 "[ . 1 . 2]" 2 48 1 83 LEU O 1 87 SER H 1.700 . 2.000 2.042 1.906 2.084 0.084 15 0 "[ . 1 . 2]" 2 49 1 84 TRP O 1 88 LEU N 2.700 2.200 3.000 2.771 2.654 2.926 . 0 0 "[ . 1 . 2]" 2 50 1 84 TRP O 1 88 LEU H 1.700 . 2.000 1.858 1.768 2.024 0.024 11 0 "[ . 1 . 2]" 2 51 1 115 ALA O 1 119 LYS N 2.700 2.200 3.000 2.972 2.834 3.043 0.043 14 0 "[ . 1 . 2]" 2 52 1 115 ALA O 1 119 LYS H 1.700 . 2.000 2.036 1.903 2.108 0.108 14 0 "[ . 1 . 2]" 2 53 1 116 TRP O 1 120 ASP N 2.700 2.200 3.000 2.884 2.761 3.010 0.010 16 0 "[ . 1 . 2]" 2 54 1 116 TRP O 1 120 ASP H 1.700 . 2.000 1.964 1.844 2.041 0.041 12 0 "[ . 1 . 2]" 2 55 1 117 GLU O 1 121 PHE N 2.700 2.200 3.000 2.929 2.849 3.017 0.017 5 0 "[ . 1 . 2]" 2 56 1 117 GLU O 1 121 PHE H 1.700 . 2.000 2.048 1.998 2.106 0.106 5 0 "[ . 1 . 2]" 2 57 1 118 ILE O 1 122 LEU N 2.700 2.200 3.000 2.834 2.710 2.926 . 0 0 "[ . 1 . 2]" 2 58 1 118 ILE O 1 122 LEU H 1.700 . 2.000 1.911 1.739 2.036 0.036 18 0 "[ . 1 . 2]" 2 59 1 119 LYS O 1 123 VAL N 2.700 2.200 3.000 2.976 2.855 3.074 0.074 4 0 "[ . 1 . 2]" 2 60 1 119 LYS O 1 123 VAL H 1.700 . 2.000 2.040 1.932 2.121 0.121 4 0 "[ . 1 . 2]" 2 61 1 120 ASP O 1 124 SER N 2.700 2.200 3.000 2.791 2.636 2.974 . 0 0 "[ . 1 . 2]" 2 62 1 120 ASP O 1 124 SER H 1.700 . 2.000 2.099 1.992 2.198 0.198 15 0 "[ . 1 . 2]" 2 63 1 4 ARG O 1 8 ASP N 2.700 2.200 3.000 2.917 2.790 3.029 0.029 2 0 "[ . 1 . 2]" 2 64 1 4 ARG O 1 8 ASP H 1.700 . 2.000 1.989 1.835 2.090 0.090 7 0 "[ . 1 . 2]" 2 65 1 5 ASP O 1 9 ALA N 2.700 2.200 3.000 2.930 2.813 3.067 0.067 11 0 "[ . 1 . 2]" 2 66 1 5 ASP O 1 9 ALA H 1.700 . 2.000 2.064 1.968 2.168 0.168 9 0 "[ . 1 . 2]" 2 67 1 6 TYR O 1 10 ASP N 2.700 2.200 3.000 2.792 2.671 2.909 . 0 0 "[ . 1 . 2]" 2 68 1 6 TYR O 1 10 ASP H 1.700 . 2.000 2.049 1.873 2.136 0.136 20 0 "[ . 1 . 2]" 2 69 1 7 ASN O 1 11 MET N 2.700 2.200 3.000 2.960 2.815 3.043 0.043 7 0 "[ . 1 . 2]" 2 70 1 7 ASN O 1 11 MET H 1.700 . 2.000 2.154 2.055 2.223 0.223 17 0 "[ . 1 . 2]" 2 71 1 8 ASP O 1 12 ALA N 2.700 2.200 3.000 3.023 2.970 3.062 0.062 3 0 "[ . 1 . 2]" 2 72 1 8 ASP O 1 12 ALA H 1.700 . 2.000 2.137 2.088 2.202 0.202 8 0 "[ . 1 . 2]" 2 73 1 9 ALA O 1 13 ARG N 2.700 2.200 3.000 2.961 2.847 3.016 0.016 8 0 "[ . 1 . 2]" 2 74 1 9 ALA O 1 13 ARG H 1.700 . 2.000 2.039 1.906 2.100 0.100 8 0 "[ . 1 . 2]" 2 75 1 10 ASP O 1 14 LEU N 2.700 2.200 3.000 2.873 2.648 3.081 0.081 9 0 "[ . 1 . 2]" 2 76 1 10 ASP O 1 14 LEU H 1.700 . 2.000 2.044 1.967 2.137 0.137 17 0 "[ . 1 . 2]" 2 77 1 11 MET O 1 15 LEU N 2.700 2.200 3.000 2.867 2.771 3.029 0.029 10 0 "[ . 1 . 2]" 2 78 1 11 MET O 1 15 LEU H 1.700 . 2.000 1.921 1.806 2.121 0.121 19 0 "[ . 1 . 2]" 2 79 1 12 ALA O 1 16 GLU N 2.700 2.200 3.000 2.844 2.758 2.971 . 0 0 "[ . 1 . 2]" 2 80 1 12 ALA O 1 16 GLU H 1.700 . 2.000 2.049 2.009 2.101 0.101 19 0 "[ . 1 . 2]" 2 81 1 16 GLU O 1 20 LYS N 2.700 2.200 3.000 2.990 2.861 3.118 0.118 17 0 "[ . 1 . 2]" 2 82 1 16 GLU O 1 20 LYS H 1.700 . 2.000 2.045 1.930 2.146 0.146 17 0 "[ . 1 . 2]" 2 83 1 17 GLN O 1 21 ASP N 2.700 2.200 3.000 2.740 2.509 2.919 . 0 0 "[ . 1 . 2]" 2 84 1 17 GLN O 1 21 ASP H 1.700 . 2.000 1.844 1.760 1.955 . 0 0 "[ . 1 . 2]" 2 85 1 18 TRP O 1 22 ASP N 2.700 2.200 3.000 3.018 2.877 3.078 0.078 18 0 "[ . 1 . 2]" 2 86 1 18 TRP O 1 22 ASP H 1.700 . 2.000 2.062 2.003 2.111 0.111 14 0 "[ . 1 . 2]" 2 87 1 19 GLU O 1 23 ASP N 2.700 2.200 3.000 2.941 2.773 3.006 0.006 16 0 "[ . 1 . 2]" 2 88 1 19 GLU O 1 23 ASP H 1.700 . 2.000 2.014 1.918 2.073 0.073 17 0 "[ . 1 . 2]" 2 89 1 20 LYS O 1 24 ILE N 2.700 2.200 3.000 2.782 2.646 2.941 . 0 0 "[ . 1 . 2]" 2 90 1 20 LYS O 1 24 ILE H 1.700 . 2.000 1.888 1.792 2.024 0.024 11 0 "[ . 1 . 2]" 2 91 1 21 ASP O 1 25 GLU N 2.700 2.200 3.000 2.911 2.726 3.015 0.015 7 0 "[ . 1 . 2]" 2 92 1 21 ASP O 1 25 GLU H 1.700 . 2.000 1.996 1.822 2.115 0.115 18 0 "[ . 1 . 2]" 2 93 1 22 ASP O 1 26 GLU N 2.700 2.200 3.000 2.901 2.756 3.011 0.011 10 0 "[ . 1 . 2]" 2 94 1 22 ASP O 1 26 GLU H 1.700 . 2.000 2.039 1.894 2.129 0.129 15 0 "[ . 1 . 2]" 2 stop_ save_
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