NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
412516 | 2bbm | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2bbm 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 1290 _Distance_constraint_stats_list.Viol_count 62 _Distance_constraint_stats_list.Viol_total 6.938 _Distance_constraint_stats_list.Viol_max 0.304 _Distance_constraint_stats_list.Viol_rms 0.0283 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0054 _Distance_constraint_stats_list.Viol_average_violations_only 0.1119 _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 2 ASP 0.067 0.067 1 0 "[ ]" 1 3 GLN 0.161 0.094 1 0 "[ ]" 1 4 LEU 0.094 0.094 1 0 "[ ]" 1 5 THR 0.000 0.000 . 0 "[ ]" 1 6 GLU 0.000 0.000 . 0 "[ ]" 1 7 GLU 0.175 0.175 1 0 "[ ]" 1 8 GLN 0.000 0.000 . 0 "[ ]" 1 9 ILE 0.080 0.080 1 0 "[ ]" 1 10 ALA 0.135 0.135 1 0 "[ ]" 1 11 GLU 0.000 0.000 . 0 "[ ]" 1 12 PHE 0.079 0.079 1 0 "[ ]" 1 13 LYS 0.079 0.079 1 0 "[ ]" 1 14 GLU 0.000 0.000 . 0 "[ ]" 1 15 ALA 0.000 0.000 . 0 "[ ]" 1 16 PHE 0.000 0.000 . 0 "[ ]" 1 17 SER 0.000 0.000 . 0 "[ ]" 1 18 LEU 0.226 0.226 1 0 "[ ]" 1 19 PHE 0.000 0.000 . 0 "[ ]" 1 20 ASP 0.000 0.000 . 0 "[ ]" 1 21 LYS 0.286 0.217 1 0 "[ ]" 1 22 ASP 0.068 0.068 1 0 "[ ]" 1 23 GLY 0.052 0.052 1 0 "[ ]" 1 24 ASP 0.052 0.052 1 0 "[ ]" 1 25 GLY 0.000 0.000 . 0 "[ ]" 1 26 THR 0.337 0.213 1 0 "[ ]" 1 27 ILE 0.000 0.000 . 0 "[ ]" 1 28 THR 0.052 0.052 1 0 "[ ]" 1 29 THR 0.027 0.027 1 0 "[ ]" 1 30 LYS 0.000 0.000 . 0 "[ ]" 1 31 GLU 0.143 0.143 1 0 "[ ]" 1 32 LEU 0.169 0.143 1 0 "[ ]" 1 33 GLY 0.000 0.000 . 0 "[ ]" 1 34 THR 0.057 0.057 1 0 "[ ]" 1 35 VAL 0.000 0.000 . 0 "[ ]" 1 36 MET 0.048 0.048 1 0 "[ ]" 1 37 ARG 0.219 0.154 1 0 "[ ]" 1 38 SER 0.064 0.064 1 0 "[ ]" 1 39 LEU 0.064 0.064 1 0 "[ ]" 1 40 GLY 0.000 0.000 . 0 "[ ]" 1 41 GLN 0.065 0.065 1 0 "[ ]" 1 42 ASN 0.000 0.000 . 0 "[ ]" 1 43 PRO 0.159 0.159 1 0 "[ ]" 1 44 THR 0.159 0.159 1 0 "[ ]" 1 45 GLU 0.000 0.000 . 0 "[ ]" 1 46 ALA 0.082 0.082 1 0 "[ ]" 1 47 GLU 0.000 0.000 . 0 "[ ]" 1 48 LEU 0.000 0.000 . 0 "[ ]" 1 49 GLN 0.005 0.005 1 0 "[ ]" 1 50 ASP 0.000 0.000 . 0 "[ ]" 1 51 MET 0.157 0.157 1 0 "[ ]" 1 52 ILE 0.005 0.005 1 0 "[ ]" 1 53 ASN 0.000 0.000 . 0 "[ ]" 1 54 GLU 0.148 0.148 1 0 "[ ]" 1 55 VAL 0.106 0.106 1 0 "[ ]" 1 56 ASP 0.000 0.000 . 0 "[ ]" 1 57 ALA 0.153 0.153 1 0 "[ ]" 1 58 ASP 0.126 0.126 1 0 "[ ]" 1 59 GLY 0.019 0.019 1 0 "[ ]" 1 60 ASN 0.019 0.019 1 0 "[ ]" 1 61 GLY 0.000 0.000 . 0 "[ ]" 1 62 THR 0.052 0.052 1 0 "[ ]" 1 63 ILE 0.000 0.000 . 0 "[ ]" 1 64 ASP 0.124 0.124 1 0 "[ ]" 1 65 PHE 0.000 0.000 . 0 "[ ]" 1 66 PRO 0.000 0.000 . 0 "[ ]" 1 67 GLU 0.000 0.000 . 0 "[ ]" 1 68 PHE 0.000 0.000 . 0 "[ ]" 1 69 LEU 0.000 0.000 . 0 "[ ]" 1 70 THR 0.013 0.013 1 0 "[ ]" 1 71 MET 0.041 0.028 1 0 "[ ]" 1 72 MET 0.028 0.028 1 0 "[ ]" 1 73 ALA 0.195 0.195 1 0 "[ ]" 1 74 ARG 0.195 0.195 1 0 "[ ]" 1 75 LYS 0.000 0.000 . 0 "[ ]" 1 76 MET 0.000 0.000 . 0 "[ ]" 1 77 LYS 0.061 0.061 1 0 "[ ]" 1 78 ASP 0.061 0.061 1 0 "[ ]" 1 79 THR 0.000 0.000 . 0 "[ ]" 1 80 ASP 0.000 0.000 . 0 "[ ]" 1 81 SER 0.000 0.000 . 0 "[ ]" 1 82 GLU 0.000 0.000 . 0 "[ ]" 1 83 GLU 0.085 0.085 1 0 "[ ]" 1 84 GLU 0.085 0.085 1 0 "[ ]" 1 85 ILE 0.000 0.000 . 0 "[ ]" 1 86 ARG 0.000 0.000 . 0 "[ ]" 1 87 GLU 0.188 0.121 1 0 "[ ]" 1 88 ALA 0.090 0.090 1 0 "[ ]" 1 89 PHE 0.090 0.090 1 0 "[ ]" 1 90 ARG 0.165 0.121 1 0 "[ ]" 1 91 VAL 0.000 0.000 . 0 "[ ]" 1 92 PHE 0.000 0.000 . 0 "[ ]" 1 93 ASP 0.000 0.000 . 0 "[ ]" 1 94 LYS 0.109 0.109 1 0 "[ ]" 1 95 ASP 0.000 0.000 . 0 "[ ]" 1 96 GLY 0.000 0.000 . 0 "[ ]" 1 97 ASN 0.000 0.000 . 0 "[ ]" 1 98 GLY 0.000 0.000 . 0 "[ ]" 1 99 PHE 0.000 0.000 . 0 "[ ]" 1 100 ILE 0.000 0.000 . 0 "[ ]" 1 101 SER 0.000 0.000 . 0 "[ ]" 1 102 ALA 0.334 0.208 1 0 "[ ]" 1 103 ALA 0.397 0.208 1 0 "[ ]" 1 104 GLU 0.088 0.053 1 0 "[ ]" 1 105 LEU 0.000 0.000 . 0 "[ ]" 1 106 ARG 0.000 0.000 . 0 "[ ]" 1 107 HIS 0.000 0.000 . 0 "[ ]" 1 108 VAL 0.271 0.271 1 0 "[ ]" 1 109 MET 0.000 0.000 . 0 "[ ]" 1 110 THR 0.304 0.304 1 0 "[ ]" 1 111 ASN 0.000 0.000 . 0 "[ ]" 1 112 LEU 0.131 0.131 1 0 "[ ]" 1 113 GLY 0.131 0.131 1 0 "[ ]" 1 114 GLU 0.000 0.000 . 0 "[ ]" 1 115 LYS 0.000 0.000 . 0 "[ ]" 1 116 LEU 0.267 0.267 1 0 "[ ]" 1 117 THR 0.000 0.000 . 0 "[ ]" 1 118 ASP 0.125 0.125 1 0 "[ ]" 1 119 GLU 0.277 0.151 1 0 "[ ]" 1 120 GLU 0.000 0.000 . 0 "[ ]" 1 121 VAL 0.055 0.055 1 0 "[ ]" 1 122 ASP 0.065 0.065 1 0 "[ ]" 1 123 GLU 0.309 0.164 1 0 "[ ]" 1 124 MET 0.164 0.164 1 0 "[ ]" 1 125 ILE 0.000 0.000 . 0 "[ ]" 1 126 ARG 0.078 0.078 1 0 "[ ]" 1 127 GLU 0.070 0.070 1 0 "[ ]" 1 128 ALA 0.000 0.000 . 0 "[ ]" 1 129 ASP 0.000 0.000 . 0 "[ ]" 1 130 ILE 0.000 0.000 . 0 "[ ]" 1 131 ASP 0.000 0.000 . 0 "[ ]" 1 132 GLY 0.000 0.000 . 0 "[ ]" 1 133 ASP 0.000 0.000 . 0 "[ ]" 1 134 GLY 0.000 0.000 . 0 "[ ]" 1 135 GLN 0.000 0.000 . 0 "[ ]" 1 136 VAL 0.000 0.000 . 0 "[ ]" 1 137 ASN 0.000 0.000 . 0 "[ ]" 1 138 TYR 0.000 0.000 . 0 "[ ]" 1 139 GLU 0.131 0.131 1 0 "[ ]" 1 140 GLU 0.170 0.170 1 0 "[ ]" 1 141 PHE 0.170 0.170 1 0 "[ ]" 1 142 VAL 0.000 0.000 . 0 "[ ]" 1 143 THR 0.010 0.010 1 0 "[ ]" 1 144 MET 0.229 0.219 1 0 "[ ]" 1 145 MET 0.000 0.000 . 0 "[ ]" 1 146 THR 0.095 0.073 1 0 "[ ]" 1 147 SER 0.000 0.000 . 0 "[ ]" 1 148 LYS 0.073 0.073 1 0 "[ ]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 3 GLN HA 1 3 GLN QB 2.500 . 3.700 2.312 2.312 2.312 . 0 0 "[ ]" 1 2 1 3 GLN HA 1 3 GLN QG 3.000 . 3.900 2.603 2.603 2.603 . 0 0 "[ ]" 1 3 1 3 GLN H 1 3 GLN QB 2.500 . 3.300 2.676 2.676 2.676 . 0 0 "[ ]" 1 4 1 3 GLN H 1 3 GLN QG 3.000 . 4.300 1.876 1.876 1.876 . 0 0 "[ ]" 1 5 1 4 LEU H 1 4 LEU QB 3.000 . 3.900 2.429 2.429 2.429 . 0 0 "[ ]" 1 6 1 4 LEU H 1 4 LEU QD 4.000 . 6.700 1.758 1.758 1.758 . 0 0 "[ ]" 1 7 1 4 LEU H 1 4 LEU HA 3.000 . 3.300 2.943 2.943 2.943 . 0 0 "[ ]" 1 8 1 4 LEU HA 1 4 LEU QB 2.500 . 3.700 2.380 2.380 2.380 . 0 0 "[ ]" 1 9 1 4 LEU HA 1 4 LEU QD 2.500 . 4.400 3.030 3.030 3.030 . 0 0 "[ ]" 1 10 1 4 LEU QB 1 4 LEU QD 2.500 . 5.400 1.883 1.883 1.883 . 0 0 "[ ]" 1 11 1 5 THR H 1 5 THR HA 3.000 . 3.300 2.947 2.947 2.947 . 0 0 "[ ]" 1 12 1 5 THR H 1 5 THR MG 2.500 . 4.200 2.378 2.378 2.378 . 0 0 "[ ]" 1 13 1 5 THR H 1 5 THR HB 4.000 . 5.000 3.666 3.666 3.666 . 0 0 "[ ]" 1 14 1 5 THR HA 1 5 THR HB 2.500 . 2.700 2.535 2.535 2.535 . 0 0 "[ ]" 1 15 1 5 THR HA 1 5 THR MG 2.500 . 3.800 2.469 2.469 2.469 . 0 0 "[ ]" 1 16 1 6 GLU H 1 6 GLU HA 2.500 . 2.700 2.354 2.354 2.354 . 0 0 "[ ]" 1 17 1 6 GLU H 1 6 GLU QB 4.000 2.200 5.600 3.224 3.224 3.224 . 0 0 "[ ]" 1 18 1 6 GLU H 1 6 GLU QG 3.000 . 4.300 2.670 2.670 2.670 . 0 0 "[ ]" 1 19 1 6 GLU HA 1 6 GLU QB 2.500 . 3.700 2.418 2.418 2.418 . 0 0 "[ ]" 1 20 1 7 GLU H 1 7 GLU QG 4.000 . 6.000 2.944 2.944 2.944 . 0 0 "[ ]" 1 21 1 7 GLU H 1 7 GLU QB 2.500 . 3.300 2.154 2.154 2.154 . 0 0 "[ ]" 1 22 1 7 GLU H 1 7 GLU HA 2.500 . 2.700 2.875 2.875 2.875 0.175 1 0 "[ ]" 1 23 1 7 GLU HA 1 7 GLU QB 2.500 . 3.700 2.505 2.505 2.505 . 0 0 "[ ]" 1 24 1 7 GLU HA 1 7 GLU QG 2.500 . 3.300 2.190 2.190 2.190 . 0 0 "[ ]" 1 25 1 8 GLN H 1 8 GLN HA 3.000 . 3.300 2.858 2.858 2.858 . 0 0 "[ ]" 1 26 1 8 GLN H 1 8 GLN QB 3.000 . 3.900 2.468 2.468 2.468 . 0 0 "[ ]" 1 27 1 8 GLN H 1 8 GLN QG 3.000 . 4.300 2.168 2.168 2.168 . 0 0 "[ ]" 1 28 1 8 GLN HA 1 8 GLN QB 2.500 . 3.700 2.378 2.378 2.378 . 0 0 "[ ]" 1 29 1 8 GLN HA 1 8 GLN QG 3.000 . 3.900 2.297 2.297 2.297 . 0 0 "[ ]" 1 30 1 9 ILE H 1 9 ILE HA 2.500 . 2.700 2.780 2.780 2.780 0.080 1 0 "[ ]" 1 31 1 9 ILE H 1 9 ILE HB 3.000 . 3.300 2.689 2.689 2.689 . 0 0 "[ ]" 1 32 1 9 ILE H 1 9 ILE QG 3.000 . 4.300 1.772 1.772 1.772 . 0 0 "[ ]" 1 33 1 9 ILE H 1 9 ILE MG 3.000 . 4.800 3.773 3.773 3.773 . 0 0 "[ ]" 1 34 1 9 ILE H 1 9 ILE MD 4.000 . 6.500 3.441 3.441 3.441 . 0 0 "[ ]" 1 35 1 9 ILE HA 1 9 ILE MG 2.500 . 3.800 2.407 2.407 2.407 . 0 0 "[ ]" 1 36 1 9 ILE HA 1 9 ILE MD 3.000 . 4.800 3.850 3.850 3.850 . 0 0 "[ ]" 1 37 1 9 ILE HB 1 9 ILE QG 2.500 . 3.700 2.398 2.398 2.398 . 0 0 "[ ]" 1 38 1 9 ILE HB 1 9 ILE MD 2.500 . 4.200 2.258 2.258 2.258 . 0 0 "[ ]" 1 39 1 9 ILE QG 1 9 ILE MG 3.000 . 5.800 2.216 2.216 2.216 . 0 0 "[ ]" 1 40 1 9 ILE MD 1 9 ILE MG 3.000 . 6.300 2.105 2.105 2.105 . 0 0 "[ ]" 1 41 1 10 ALA H 1 10 ALA HA 2.500 . 2.700 2.835 2.835 2.835 0.135 1 0 "[ ]" 1 42 1 10 ALA H 1 10 ALA MB 2.500 . 3.800 2.112 2.112 2.112 . 0 0 "[ ]" 1 43 1 11 GLU H 1 11 GLU HA 3.000 . 3.300 2.866 2.866 2.866 . 0 0 "[ ]" 1 44 1 11 GLU H 1 11 GLU QB 2.500 . 3.300 2.112 2.112 2.112 . 0 0 "[ ]" 1 45 1 11 GLU H 1 11 GLU QG 3.000 . 4.300 3.160 3.160 3.160 . 0 0 "[ ]" 1 46 1 12 PHE H 1 12 PHE QD 4.000 . 7.000 3.015 3.015 3.015 . 0 0 "[ ]" 1 47 1 12 PHE H 1 12 PHE QB 3.000 . 3.900 2.589 2.589 2.589 . 0 0 "[ ]" 1 48 1 12 PHE HA 1 12 PHE QD 4.000 . 7.000 2.310 2.310 2.310 . 0 0 "[ ]" 1 49 1 13 LYS H 1 13 LYS QG 4.000 . 6.000 3.593 3.593 3.593 . 0 0 "[ ]" 1 50 1 13 LYS H 1 13 LYS QB 2.500 . 3.300 2.066 2.066 2.066 . 0 0 "[ ]" 1 51 1 13 LYS HA 1 13 LYS QB 2.500 . 3.700 2.521 2.521 2.521 . 0 0 "[ ]" 1 52 1 13 LYS HA 1 13 LYS QG 3.000 . 3.900 2.170 2.170 2.170 . 0 0 "[ ]" 1 53 1 13 LYS HA 1 13 LYS QD 4.000 . 6.000 3.894 3.894 3.894 . 0 0 "[ ]" 1 54 1 13 LYS QB 1 13 LYS QE 4.000 . 7.000 3.492 3.492 3.492 . 0 0 "[ ]" 1 55 1 14 GLU H 1 14 GLU QG 4.000 . 6.000 3.161 3.161 3.161 . 0 0 "[ ]" 1 56 1 14 GLU H 1 14 GLU HA 3.000 . 3.300 2.818 2.818 2.818 . 0 0 "[ ]" 1 57 1 15 ALA H 1 15 ALA HA 3.000 . 3.300 2.862 2.862 2.862 . 0 0 "[ ]" 1 58 1 15 ALA H 1 15 ALA MB 2.500 . 3.800 2.066 2.066 2.066 . 0 0 "[ ]" 1 59 1 16 PHE H 1 16 PHE QE 4.000 . 7.000 5.223 5.223 5.223 . 0 0 "[ ]" 1 60 1 16 PHE H 1 16 PHE QD 4.000 . 7.000 2.990 2.990 2.990 . 0 0 "[ ]" 1 61 1 16 PHE H 1 16 PHE QB 2.500 . 3.300 2.085 2.085 2.085 . 0 0 "[ ]" 1 62 1 16 PHE HA 1 16 PHE QB 2.500 . 3.700 2.537 2.537 2.537 . 0 0 "[ ]" 1 63 1 16 PHE HA 1 16 PHE QD 4.000 . 7.000 2.296 2.296 2.296 . 0 0 "[ ]" 1 64 1 17 SER H 1 17 SER HA 3.000 . 3.300 2.900 2.900 2.900 . 0 0 "[ ]" 1 65 1 17 SER H 1 17 SER QB 3.000 . 3.900 2.469 2.469 2.469 . 0 0 "[ ]" 1 66 1 17 SER HA 1 17 SER QB 2.500 . 3.700 2.371 2.371 2.371 . 0 0 "[ ]" 1 67 1 18 LEU H 1 18 LEU QD 4.000 . 6.700 3.763 3.763 3.763 . 0 0 "[ ]" 1 68 1 18 LEU H 1 18 LEU HA 2.500 . 2.700 2.926 2.926 2.926 0.226 1 0 "[ ]" 1 69 1 18 LEU H 1 18 LEU QB 2.500 . 3.300 2.292 2.292 2.292 . 0 0 "[ ]" 1 70 1 18 LEU H 1 18 LEU HG 4.000 . 5.000 4.379 4.379 4.379 . 0 0 "[ ]" 1 71 1 18 LEU HA 1 18 LEU QB 2.500 . 3.700 2.349 2.349 2.349 . 0 0 "[ ]" 1 72 1 18 LEU HA 1 18 LEU HG 4.000 . 5.000 3.167 3.167 3.167 . 0 0 "[ ]" 1 73 1 18 LEU HA 1 18 LEU QD 2.500 . 4.400 2.085 2.085 2.085 . 0 0 "[ ]" 1 74 1 20 ASP H 1 20 ASP QB 2.500 . 3.300 2.315 2.315 2.315 . 0 0 "[ ]" 1 75 1 21 LYS H 1 21 LYS HA 2.500 . 2.700 2.917 2.917 2.917 0.217 1 0 "[ ]" 1 76 1 21 LYS H 1 21 LYS QB 2.500 . 3.300 2.467 2.467 2.467 . 0 0 "[ ]" 1 77 1 21 LYS H 1 21 LYS QG 3.000 . 4.300 2.243 2.243 2.243 . 0 0 "[ ]" 1 78 1 21 LYS H 1 21 LYS QD 3.000 . 4.300 3.673 3.673 3.673 . 0 0 "[ ]" 1 79 1 21 LYS HA 1 21 LYS QD 4.000 . 6.000 4.032 4.032 4.032 . 0 0 "[ ]" 1 80 1 22 ASP H 1 22 ASP QB 2.500 . 3.300 2.896 2.896 2.896 . 0 0 "[ ]" 1 81 1 22 ASP HA 1 22 ASP QB 2.500 . 3.700 2.192 2.192 2.192 . 0 0 "[ ]" 1 82 1 24 ASP H 1 24 ASP QB 2.500 . 3.300 2.982 2.982 2.982 . 0 0 "[ ]" 1 83 1 24 ASP H 1 24 ASP HA 3.000 . 3.300 2.945 2.945 2.945 . 0 0 "[ ]" 1 84 1 24 ASP HA 1 24 ASP QB 2.500 . 3.700 2.170 2.170 2.170 . 0 0 "[ ]" 1 85 1 26 THR H 1 26 THR HA 2.500 . 2.700 2.913 2.913 2.913 0.213 1 0 "[ ]" 1 86 1 26 THR H 1 26 THR MG 3.000 . 4.800 3.145 3.145 3.145 . 0 0 "[ ]" 1 87 1 26 THR HA 1 26 THR HB 2.500 . 2.700 2.549 2.549 2.549 . 0 0 "[ ]" 1 88 1 26 THR HA 1 26 THR MG 2.500 . 3.800 2.386 2.386 2.386 . 0 0 "[ ]" 1 89 1 27 ILE H 1 27 ILE HB 3.000 . 3.300 2.342 2.342 2.342 . 0 0 "[ ]" 1 90 1 27 ILE HA 1 27 ILE MG 2.500 . 3.800 2.542 2.542 2.542 . 0 0 "[ ]" 1 91 1 27 ILE HA 1 27 ILE MD 3.000 . 4.800 2.231 2.231 2.231 . 0 0 "[ ]" 1 92 1 27 ILE MD 1 27 ILE MG 2.500 . 5.700 1.941 1.941 1.941 . 0 0 "[ ]" 1 93 1 27 ILE HB 1 27 ILE MD 2.500 . 4.200 3.225 3.225 3.225 . 0 0 "[ ]" 1 94 1 28 THR H 1 28 THR MG 3.000 . 4.800 3.943 3.943 3.943 . 0 0 "[ ]" 1 95 1 28 THR HA 1 28 THR MG 2.500 . 3.800 2.259 2.259 2.259 . 0 0 "[ ]" 1 96 1 29 THR H 1 29 THR HB 4.000 . 5.000 3.623 3.623 3.623 . 0 0 "[ ]" 1 97 1 29 THR H 1 29 THR HA 3.000 . 3.300 2.829 2.829 2.829 . 0 0 "[ ]" 1 98 1 29 THR H 1 29 THR MG 3.000 . 4.800 2.258 2.258 2.258 . 0 0 "[ ]" 1 99 1 29 THR HA 1 29 THR HB 2.500 . 2.700 2.581 2.581 2.581 . 0 0 "[ ]" 1 100 1 29 THR HA 1 29 THR MG 2.500 . 3.800 2.298 2.298 2.298 . 0 0 "[ ]" 1 101 1 30 LYS H 1 30 LYS HA 3.000 . 3.300 2.903 2.903 2.903 . 0 0 "[ ]" 1 102 1 30 LYS H 1 30 LYS QB 2.500 . 3.300 2.134 2.134 2.134 . 0 0 "[ ]" 1 103 1 30 LYS HA 1 30 LYS QB 2.500 . 3.700 2.518 2.518 2.518 . 0 0 "[ ]" 1 104 1 30 LYS HA 1 30 LYS QG 3.000 . 3.900 2.166 2.166 2.166 . 0 0 "[ ]" 1 105 1 30 LYS HA 1 30 LYS QD 4.000 . 6.000 3.911 3.911 3.911 . 0 0 "[ ]" 1 106 1 31 GLU H 1 31 GLU HA 3.000 . 3.300 2.869 2.869 2.869 . 0 0 "[ ]" 1 107 1 31 GLU H 1 31 GLU QB 3.000 . 3.900 2.359 2.359 2.359 . 0 0 "[ ]" 1 108 1 32 LEU H 1 32 LEU HG 4.000 . 5.000 4.413 4.413 4.413 . 0 0 "[ ]" 1 109 1 32 LEU H 1 32 LEU QD 4.000 . 6.700 3.691 3.691 3.691 . 0 0 "[ ]" 1 110 1 32 LEU H 1 32 LEU QB 3.000 . 3.900 2.262 2.262 2.262 . 0 0 "[ ]" 1 111 1 32 LEU HA 1 32 LEU QB 2.500 . 3.700 2.432 2.432 2.432 . 0 0 "[ ]" 1 112 1 32 LEU HA 1 32 LEU HG 3.000 . 3.300 2.366 2.366 2.366 . 0 0 "[ ]" 1 113 1 32 LEU HA 1 32 LEU QD 2.500 . 4.400 2.501 2.501 2.501 . 0 0 "[ ]" 1 114 1 32 LEU QB 1 32 LEU QD 2.500 . 5.400 1.864 1.864 1.864 . 0 0 "[ ]" 1 115 1 34 THR H 1 34 THR HB 4.000 . 5.000 3.629 3.629 3.629 . 0 0 "[ ]" 1 116 1 34 THR H 1 34 THR HA 2.500 . 2.700 2.757 2.757 2.757 0.057 1 0 "[ ]" 1 117 1 34 THR HA 1 34 THR HB 2.500 . 2.700 2.601 2.601 2.601 . 0 0 "[ ]" 1 118 1 34 THR HA 1 34 THR MG 2.500 . 3.800 2.338 2.338 2.338 . 0 0 "[ ]" 1 119 1 35 VAL H 1 35 VAL QG 4.000 . 6.700 1.890 1.890 1.890 . 0 0 "[ ]" 1 120 1 35 VAL H 1 35 VAL HA 3.000 . 3.300 2.840 2.840 2.840 . 0 0 "[ ]" 1 121 1 35 VAL H 1 35 VAL HB 2.500 . 2.700 2.560 2.560 2.560 . 0 0 "[ ]" 1 122 1 35 VAL HA 1 35 VAL HB 3.000 . 3.300 3.027 3.027 3.027 . 0 0 "[ ]" 1 123 1 35 VAL HA 1 35 VAL QG 2.500 . 3.300 2.055 2.055 2.055 . 0 0 "[ ]" 1 124 1 36 MET H 1 36 MET QB 2.500 . 3.300 2.213 2.213 2.213 . 0 0 "[ ]" 1 125 1 36 MET H 1 36 MET HA 2.500 . 2.700 2.748 2.748 2.748 0.048 1 0 "[ ]" 1 126 1 36 MET H 1 36 MET QG 3.000 . 4.300 3.899 3.899 3.899 . 0 0 "[ ]" 1 127 1 36 MET HA 1 36 MET QB 2.500 . 3.700 2.438 2.438 2.438 . 0 0 "[ ]" 1 128 1 37 ARG H 1 37 ARG QB 2.500 . 3.300 2.252 2.252 2.252 . 0 0 "[ ]" 1 129 1 37 ARG H 1 37 ARG HA 2.500 . 2.700 2.854 2.854 2.854 0.154 1 0 "[ ]" 1 130 1 37 ARG HA 1 37 ARG QB 2.500 . 3.700 2.377 2.377 2.377 . 0 0 "[ ]" 1 131 1 37 ARG HA 1 37 ARG QG 2.500 . 3.300 2.475 2.475 2.475 . 0 0 "[ ]" 1 132 1 37 ARG HA 1 37 ARG QD 4.000 . 6.000 4.062 4.062 4.062 . 0 0 "[ ]" 1 133 1 38 SER H 1 38 SER HA 3.000 . 3.300 2.924 2.924 2.924 . 0 0 "[ ]" 1 134 1 38 SER H 1 38 SER QB 3.000 . 3.900 2.175 2.175 2.175 . 0 0 "[ ]" 1 135 1 38 SER HA 1 38 SER QB 2.500 . 3.700 2.537 2.537 2.537 . 0 0 "[ ]" 1 136 1 39 LEU H 1 39 LEU QD 4.000 . 6.700 3.635 3.635 3.635 . 0 0 "[ ]" 1 137 1 39 LEU H 1 39 LEU HA 3.000 . 3.300 2.985 2.985 2.985 . 0 0 "[ ]" 1 138 1 39 LEU H 1 39 LEU QB 2.500 . 3.300 2.561 2.561 2.561 . 0 0 "[ ]" 1 139 1 39 LEU HA 1 39 LEU QB 2.500 . 3.700 2.532 2.532 2.532 . 0 0 "[ ]" 1 140 1 39 LEU HA 1 39 LEU HG 3.000 . 3.300 2.253 2.253 2.253 . 0 0 "[ ]" 1 141 1 39 LEU HA 1 39 LEU QD 3.000 . 5.000 2.215 2.215 2.215 . 0 0 "[ ]" 1 142 1 39 LEU QB 1 39 LEU QD 2.500 . 5.400 1.778 1.778 1.778 . 0 0 "[ ]" 1 143 1 40 GLY H 1 40 GLY QA 2.500 . 3.300 2.517 2.517 2.517 . 0 0 "[ ]" 1 144 1 41 GLN H 1 41 GLN QB 3.000 . 3.900 3.073 3.073 3.073 . 0 0 "[ ]" 1 145 1 41 GLN H 1 41 GLN QG 4.000 . 6.000 3.775 3.775 3.775 . 0 0 "[ ]" 1 146 1 41 GLN H 1 41 GLN HA 3.000 . 3.300 2.352 2.352 2.352 . 0 0 "[ ]" 1 147 1 41 GLN HA 1 41 GLN QB 2.500 . 3.700 2.533 2.533 2.533 . 0 0 "[ ]" 1 148 1 41 GLN HA 1 41 GLN QG 2.500 . 3.300 2.152 2.152 2.152 . 0 0 "[ ]" 1 149 1 42 ASN H 1 42 ASN QB 3.000 . 3.900 2.547 2.547 2.547 . 0 0 "[ ]" 1 150 1 42 ASN HA 1 42 ASN QB 2.500 . 3.700 2.268 2.268 2.268 . 0 0 "[ ]" 1 151 1 43 PRO HA 1 43 PRO QD 4.000 . 6.000 3.406 3.406 3.406 . 0 0 "[ ]" 1 152 1 44 THR H 1 44 THR HB 4.000 . 5.000 3.633 3.633 3.633 . 0 0 "[ ]" 1 153 1 44 THR H 1 44 THR MG 2.500 . 4.200 2.903 2.903 2.903 . 0 0 "[ ]" 1 154 1 44 THR HA 1 44 THR HB 2.500 . 2.700 2.638 2.638 2.638 . 0 0 "[ ]" 1 155 1 44 THR HA 1 44 THR MG 2.500 . 3.800 2.292 2.292 2.292 . 0 0 "[ ]" 1 156 1 45 GLU H 1 45 GLU HA 3.000 . 3.300 2.967 2.967 2.967 . 0 0 "[ ]" 1 157 1 45 GLU H 1 45 GLU QB 2.500 . 3.300 2.198 2.198 2.198 . 0 0 "[ ]" 1 158 1 45 GLU HA 1 45 GLU QB 2.500 . 3.700 2.510 2.510 2.510 . 0 0 "[ ]" 1 159 1 45 GLU HA 1 45 GLU QG 2.500 . 3.300 2.183 2.183 2.183 . 0 0 "[ ]" 1 160 1 46 ALA H 1 46 ALA HA 2.500 . 2.700 2.782 2.782 2.782 0.082 1 0 "[ ]" 1 161 1 46 ALA H 1 46 ALA MB 2.500 . 3.800 2.044 2.044 2.044 . 0 0 "[ ]" 1 162 1 47 GLU H 1 47 GLU QB 2.500 . 3.300 2.306 2.306 2.306 . 0 0 "[ ]" 1 163 1 47 GLU HA 1 47 GLU QG 3.000 . 3.900 2.210 2.210 2.210 . 0 0 "[ ]" 1 164 1 48 LEU H 1 48 LEU QB 2.500 . 3.300 2.170 2.170 2.170 . 0 0 "[ ]" 1 165 1 48 LEU H 1 48 LEU HA 3.000 . 3.300 2.865 2.865 2.865 . 0 0 "[ ]" 1 166 1 48 LEU H 1 48 LEU QD 4.000 . 6.700 2.070 2.070 2.070 . 0 0 "[ ]" 1 167 1 48 LEU H 1 48 LEU HG 4.000 . 5.000 3.940 3.940 3.940 . 0 0 "[ ]" 1 168 1 48 LEU HA 1 48 LEU QB 2.500 . 3.700 2.517 2.517 2.517 . 0 0 "[ ]" 1 169 1 48 LEU HA 1 48 LEU HG 4.000 . 5.000 2.249 2.249 2.249 . 0 0 "[ ]" 1 170 1 48 LEU HA 1 48 LEU QD 2.500 . 4.400 2.618 2.618 2.618 . 0 0 "[ ]" 1 171 1 49 GLN H 1 49 GLN HA 3.000 . 3.300 2.856 2.856 2.856 . 0 0 "[ ]" 1 172 1 49 GLN H 1 49 GLN QB 3.000 . 3.900 2.237 2.237 2.237 . 0 0 "[ ]" 1 173 1 49 GLN H 1 49 GLN QG 4.000 . 6.000 3.995 3.995 3.995 . 0 0 "[ ]" 1 174 1 49 GLN HA 1 49 GLN QB 2.500 . 3.700 2.439 2.439 2.439 . 0 0 "[ ]" 1 175 1 49 GLN HA 1 49 GLN QG 2.500 . 3.300 2.225 2.225 2.225 . 0 0 "[ ]" 1 176 1 50 ASP HA 1 50 ASP QB 2.500 . 3.700 2.431 2.431 2.431 . 0 0 "[ ]" 1 177 1 51 MET H 1 51 MET QG 3.000 . 4.300 3.592 3.592 3.592 . 0 0 "[ ]" 1 178 1 51 MET H 1 51 MET HA 2.500 . 2.700 2.857 2.857 2.857 0.157 1 0 "[ ]" 1 179 1 51 MET HA 1 51 MET QB 2.500 . 3.700 2.538 2.538 2.538 . 0 0 "[ ]" 1 180 1 51 MET HA 1 51 MET QG 3.000 . 3.900 2.131 2.131 2.131 . 0 0 "[ ]" 1 181 1 51 MET ME 1 51 MET QG 3.000 . 5.800 2.633 2.633 2.633 . 0 0 "[ ]" 1 182 1 52 ILE H 1 52 ILE MG 4.000 . 6.500 3.271 3.271 3.271 . 0 0 "[ ]" 1 183 1 52 ILE H 1 52 ILE MD 4.000 . 6.500 3.549 3.549 3.549 . 0 0 "[ ]" 1 184 1 52 ILE H 1 52 ILE QG 3.000 . 4.300 3.639 3.639 3.639 . 0 0 "[ ]" 1 185 1 52 ILE H 1 52 ILE HB 3.000 . 3.300 2.100 2.100 2.100 . 0 0 "[ ]" 1 186 1 52 ILE HA 1 52 ILE QG 3.000 . 3.900 2.099 2.099 2.099 . 0 0 "[ ]" 1 187 1 52 ILE HA 1 52 ILE MD 2.500 . 4.200 3.554 3.554 3.554 . 0 0 "[ ]" 1 188 1 52 ILE QG 1 52 ILE MG 3.000 . 5.800 2.133 2.133 2.133 . 0 0 "[ ]" 1 189 1 52 ILE HB 1 52 ILE MD 2.500 . 4.200 2.155 2.155 2.155 . 0 0 "[ ]" 1 190 1 53 ASN H 1 53 ASN HA 3.000 . 3.300 2.909 2.909 2.909 . 0 0 "[ ]" 1 191 1 53 ASN H 1 53 ASN QB 2.500 . 3.300 2.107 2.107 2.107 . 0 0 "[ ]" 1 192 1 53 ASN HA 1 53 ASN QB 2.500 . 3.700 2.542 2.542 2.542 . 0 0 "[ ]" 1 193 1 54 GLU H 1 54 GLU QB 3.000 . 3.900 2.083 2.083 2.083 . 0 0 "[ ]" 1 194 1 54 GLU H 1 54 GLU QG 4.000 . 6.000 3.663 3.663 3.663 . 0 0 "[ ]" 1 195 1 54 GLU H 1 54 GLU HA 2.500 . 2.700 2.848 2.848 2.848 0.148 1 0 "[ ]" 1 196 1 54 GLU HA 1 54 GLU QG 3.000 . 3.900 2.157 2.157 2.157 . 0 0 "[ ]" 1 197 1 55 VAL H 1 55 VAL HB 4.000 . 5.000 2.609 2.609 2.609 . 0 0 "[ ]" 1 198 1 55 VAL H 1 55 VAL QG 2.500 . 4.400 2.934 2.934 2.934 . 0 0 "[ ]" 1 199 1 55 VAL HA 1 55 VAL HB 2.500 . 2.700 2.806 2.806 2.806 0.106 1 0 "[ ]" 1 200 1 55 VAL HA 1 55 VAL QG 2.500 . 3.300 2.089 2.089 2.089 . 0 0 "[ ]" 1 201 1 56 ASP H 1 56 ASP HA 3.000 . 3.300 2.839 2.839 2.839 . 0 0 "[ ]" 1 202 1 56 ASP H 1 56 ASP QB 3.000 . 3.900 2.256 2.256 2.256 . 0 0 "[ ]" 1 203 1 57 ALA H 1 57 ALA HA 2.500 . 2.700 2.853 2.853 2.853 0.153 1 0 "[ ]" 1 204 1 57 ALA H 1 57 ALA MB 2.500 . 3.800 2.245 2.245 2.245 . 0 0 "[ ]" 1 205 1 58 ASP H 1 58 ASP QB 2.500 . 3.300 2.913 2.913 2.913 . 0 0 "[ ]" 1 206 1 58 ASP H 1 58 ASP HA 2.500 . 2.700 2.826 2.826 2.826 0.126 1 0 "[ ]" 1 207 1 58 ASP HA 1 58 ASP QB 2.500 . 3.700 2.189 2.189 2.189 . 0 0 "[ ]" 1 208 1 59 GLY H 1 59 GLY QA 2.500 . 3.300 2.475 2.475 2.475 . 0 0 "[ ]" 1 209 1 60 ASN H 1 60 ASN QB 2.500 . 3.300 2.866 2.866 2.866 . 0 0 "[ ]" 1 210 1 60 ASN H 1 60 ASN HA 3.000 . 3.300 2.822 2.822 2.822 . 0 0 "[ ]" 1 211 1 60 ASN HA 1 60 ASN QB 2.500 . 3.700 2.227 2.227 2.227 . 0 0 "[ ]" 1 212 1 61 GLY H 1 61 GLY QA 2.500 . 3.300 2.258 2.258 2.258 . 0 0 "[ ]" 1 213 1 62 THR H 1 62 THR MG 3.000 . 4.800 2.841 2.841 2.841 . 0 0 "[ ]" 1 214 1 62 THR HA 1 62 THR HB 2.500 . 2.700 2.452 2.452 2.452 . 0 0 "[ ]" 1 215 1 62 THR HA 1 62 THR MG 2.500 . 3.800 2.457 2.457 2.457 . 0 0 "[ ]" 1 216 1 63 ILE H 1 63 ILE MG 4.000 . 6.500 3.905 3.905 3.905 . 0 0 "[ ]" 1 217 1 63 ILE H 1 63 ILE QG 4.000 . 6.000 2.176 2.176 2.176 . 0 0 "[ ]" 1 218 1 63 ILE H 1 63 ILE MD 4.000 . 6.500 3.862 3.862 3.862 . 0 0 "[ ]" 1 219 1 63 ILE H 1 63 ILE HB 3.000 . 3.800 2.969 2.969 2.969 . 0 0 "[ ]" 1 220 1 63 ILE HA 1 63 ILE MD 4.000 . 6.500 3.726 3.726 3.726 . 0 0 "[ ]" 1 221 1 63 ILE HB 1 63 ILE MD 2.500 . 4.200 2.433 2.433 2.433 . 0 0 "[ ]" 1 222 1 63 ILE MD 1 63 ILE MG 2.500 . 5.700 1.909 1.909 1.909 . 0 0 "[ ]" 1 223 1 64 ASP H 1 64 ASP QB 2.500 . 3.300 2.398 2.398 2.398 . 0 0 "[ ]" 1 224 1 64 ASP HA 1 64 ASP QB 2.500 . 3.700 2.446 2.446 2.446 . 0 0 "[ ]" 1 225 1 65 PHE H 1 65 PHE QE 4.000 . 7.000 5.200 5.200 5.200 . 0 0 "[ ]" 1 226 1 65 PHE H 1 65 PHE QD 4.000 . 7.000 3.391 3.391 3.391 . 0 0 "[ ]" 1 227 1 65 PHE H 1 65 PHE QB 2.500 . 3.300 2.160 2.160 2.160 . 0 0 "[ ]" 1 228 1 65 PHE HA 1 65 PHE QB 2.500 . 3.700 2.491 2.491 2.491 . 0 0 "[ ]" 1 229 1 65 PHE HA 1 65 PHE QD 4.000 . 7.000 2.001 2.001 2.001 . 0 0 "[ ]" 1 230 1 66 PRO HA 1 66 PRO QG 3.000 . 3.900 3.450 3.450 3.450 . 0 0 "[ ]" 1 231 1 66 PRO HA 1 69 LEU QB 4.000 . 6.000 2.783 2.783 2.783 . 0 0 "[ ]" 1 232 1 66 PRO HA 1 69 LEU QD 4.000 . 7.400 3.294 3.294 3.294 . 0 0 "[ ]" 1 233 1 67 GLU H 1 67 GLU QB 2.500 . 3.300 2.229 2.229 2.229 . 0 0 "[ ]" 1 234 1 67 GLU HA 1 67 GLU QB 2.500 . 3.700 2.466 2.466 2.466 . 0 0 "[ ]" 1 235 1 68 PHE H 1 68 PHE QD 4.000 . 7.000 4.301 4.301 4.301 . 0 0 "[ ]" 1 236 1 68 PHE H 1 68 PHE QB 3.500 . 4.600 2.302 2.302 2.302 . 0 0 "[ ]" 1 237 1 69 LEU H 1 69 LEU QB 3.000 . 3.900 2.174 2.174 2.174 . 0 0 "[ ]" 1 238 1 69 LEU H 1 69 LEU HG 3.500 . 4.000 2.876 2.876 2.876 . 0 0 "[ ]" 1 239 1 69 LEU H 1 69 LEU QD 4.000 . 6.700 3.432 3.432 3.432 . 0 0 "[ ]" 1 240 1 69 LEU HA 1 69 LEU QB 2.500 . 3.700 2.529 2.529 2.529 . 0 0 "[ ]" 1 241 1 69 LEU HA 1 69 LEU HG 4.000 . 5.000 2.529 2.529 2.529 . 0 0 "[ ]" 1 242 1 69 LEU HA 1 69 LEU QD 4.000 . 6.700 2.610 2.610 2.610 . 0 0 "[ ]" 1 243 1 70 THR H 1 70 THR MG 4.000 . 5.500 3.765 3.765 3.765 . 0 0 "[ ]" 1 244 1 70 THR H 1 70 THR HB 3.000 . 3.800 2.553 2.553 2.553 . 0 0 "[ ]" 1 245 1 70 THR H 1 70 THR HA 3.000 . 3.300 2.843 2.843 2.843 . 0 0 "[ ]" 1 246 1 71 MET H 1 71 MET HA 3.000 . 3.300 2.829 2.829 2.829 . 0 0 "[ ]" 1 247 1 71 MET H 1 71 MET QB 2.500 . 3.300 2.242 2.242 2.242 . 0 0 "[ ]" 1 248 1 72 MET H 1 72 MET HA 3.000 . 3.300 2.968 2.968 2.968 . 0 0 "[ ]" 1 249 1 72 MET H 1 72 MET QB 3.500 . 4.600 2.202 2.202 2.202 . 0 0 "[ ]" 1 250 1 72 MET H 1 72 MET QG 4.000 . 6.000 3.504 3.504 3.504 . 0 0 "[ ]" 1 251 1 72 MET HA 1 72 MET QG 3.000 . 3.900 2.136 2.136 2.136 . 0 0 "[ ]" 1 252 1 73 ALA H 1 73 ALA HA 3.000 . 3.300 2.846 2.846 2.846 . 0 0 "[ ]" 1 253 1 73 ALA H 1 73 ALA MB 2.500 . 3.800 2.072 2.072 2.072 . 0 0 "[ ]" 1 254 1 74 ARG H 1 74 ARG QB 3.000 . 3.900 2.282 2.282 2.282 . 0 0 "[ ]" 1 255 1 74 ARG H 1 74 ARG QG 3.000 . 4.300 4.022 4.022 4.022 . 0 0 "[ ]" 1 256 1 74 ARG HA 1 74 ARG QG 3.000 . 3.900 2.242 2.242 2.242 . 0 0 "[ ]" 1 257 1 74 ARG HA 1 74 ARG QD 4.000 . 6.000 3.189 3.189 3.189 . 0 0 "[ ]" 1 258 1 75 LYS H 1 75 LYS QB 3.000 . 3.900 3.295 3.295 3.295 . 0 0 "[ ]" 1 259 1 75 LYS HA 1 75 LYS QB 2.500 . 3.700 2.171 2.171 2.171 . 0 0 "[ ]" 1 260 1 75 LYS HA 1 75 LYS QG 3.000 . 4.600 3.279 3.279 3.279 . 0 0 "[ ]" 1 261 1 76 MET H 1 76 MET QB 3.000 . 3.900 2.591 2.591 2.591 . 0 0 "[ ]" 1 262 1 76 MET H 1 76 MET QG 3.500 . 5.000 3.800 3.800 3.800 . 0 0 "[ ]" 1 263 1 76 MET HA 1 76 MET QB 2.500 . 3.700 2.415 2.415 2.415 . 0 0 "[ ]" 1 264 1 77 LYS H 1 77 LYS QB 2.500 . 3.300 2.971 2.971 2.971 . 0 0 "[ ]" 1 265 1 78 ASP H 1 78 ASP QB 3.000 . 3.900 2.231 2.231 2.231 . 0 0 "[ ]" 1 266 1 78 ASP HA 1 78 ASP QB 2.500 . 3.700 2.529 2.529 2.529 . 0 0 "[ ]" 1 267 1 79 THR H 1 79 THR MG 3.000 . 4.800 1.793 1.793 1.793 . 0 0 "[ ]" 1 268 1 79 THR H 1 79 THR HB 4.000 . 5.000 3.573 3.573 3.573 . 0 0 "[ ]" 1 269 1 79 THR HA 1 79 THR HB 2.500 . 2.700 2.356 2.356 2.356 . 0 0 "[ ]" 1 270 1 79 THR HA 1 79 THR MG 3.000 . 4.400 2.631 2.631 2.631 . 0 0 "[ ]" 1 271 1 80 ASP H 1 80 ASP QB 3.000 . 3.900 2.759 2.759 2.759 . 0 0 "[ ]" 1 272 1 80 ASP HA 1 80 ASP QB 2.500 . 3.700 2.183 2.183 2.183 . 0 0 "[ ]" 1 273 1 81 SER H 1 81 SER QB 2.500 . 3.300 2.403 2.403 2.403 . 0 0 "[ ]" 1 274 1 82 GLU H 1 82 GLU HA 3.000 . 3.300 2.758 2.758 2.758 . 0 0 "[ ]" 1 275 1 82 GLU H 1 82 GLU QB 2.500 . 3.300 2.684 2.684 2.684 . 0 0 "[ ]" 1 276 1 82 GLU HA 1 82 GLU QB 2.500 . 3.700 2.327 2.327 2.327 . 0 0 "[ ]" 1 277 1 82 GLU HA 1 82 GLU QG 3.000 . 3.900 2.381 2.381 2.381 . 0 0 "[ ]" 1 278 1 83 GLU H 1 83 GLU HA 3.000 . 3.300 2.779 2.779 2.779 . 0 0 "[ ]" 1 279 1 83 GLU H 1 83 GLU QB 3.000 . 3.900 2.427 2.427 2.427 . 0 0 "[ ]" 1 280 1 83 GLU H 1 83 GLU QG 3.500 . 5.000 2.244 2.244 2.244 . 0 0 "[ ]" 1 281 1 83 GLU HA 1 83 GLU QB 2.500 . 3.700 2.428 2.428 2.428 . 0 0 "[ ]" 1 282 1 83 GLU HA 1 83 GLU QG 3.000 . 3.900 2.255 2.255 2.255 . 0 0 "[ ]" 1 283 1 84 GLU H 1 84 GLU HA 3.000 . 3.300 2.886 2.886 2.886 . 0 0 "[ ]" 1 284 1 84 GLU H 1 84 GLU QB 2.500 . 3.300 2.375 2.375 2.375 . 0 0 "[ ]" 1 285 1 84 GLU H 1 84 GLU QG 3.000 . 4.300 2.310 2.310 2.310 . 0 0 "[ ]" 1 286 1 84 GLU HA 1 84 GLU QB 2.500 . 3.700 2.411 2.411 2.411 . 0 0 "[ ]" 1 287 1 85 ILE H 1 85 ILE HA 3.000 . 3.300 2.799 2.799 2.799 . 0 0 "[ ]" 1 288 1 85 ILE H 1 85 ILE HB 2.500 . 2.700 2.548 2.548 2.548 . 0 0 "[ ]" 1 289 1 85 ILE H 1 85 ILE QG 3.000 . 4.300 2.534 2.534 2.534 . 0 0 "[ ]" 1 290 1 85 ILE H 1 85 ILE MG 4.000 . 6.500 3.782 3.782 3.782 . 0 0 "[ ]" 1 291 1 85 ILE H 1 85 ILE MD 4.000 . 6.500 1.834 1.834 1.834 . 0 0 "[ ]" 1 292 1 85 ILE HA 1 85 ILE MG 2.500 . 3.800 2.398 2.398 2.398 . 0 0 "[ ]" 1 293 1 85 ILE MD 1 85 ILE MG 3.000 . 6.300 2.947 2.947 2.947 . 0 0 "[ ]" 1 294 1 85 ILE QG 1 85 ILE MG 3.000 . 5.800 2.085 2.085 2.085 . 0 0 "[ ]" 1 295 1 85 ILE HB 1 85 ILE MD 3.500 . 5.500 2.141 2.141 2.141 . 0 0 "[ ]" 1 296 1 86 ARG H 1 86 ARG QB 2.500 . 3.300 2.067 2.067 2.067 . 0 0 "[ ]" 1 297 1 86 ARG H 1 86 ARG QG 3.000 . 4.300 3.660 3.660 3.660 . 0 0 "[ ]" 1 298 1 86 ARG HA 1 86 ARG QB 2.500 . 3.700 2.521 2.521 2.521 . 0 0 "[ ]" 1 299 1 86 ARG HA 1 86 ARG QG 3.000 . 3.900 2.181 2.181 2.181 . 0 0 "[ ]" 1 300 1 87 GLU H 1 87 GLU HA 2.500 . 2.700 2.767 2.767 2.767 0.067 1 0 "[ ]" 1 301 1 87 GLU H 1 87 GLU QB 3.000 . 3.900 2.127 2.127 2.127 . 0 0 "[ ]" 1 302 1 87 GLU H 1 87 GLU QG 3.000 . 4.300 3.985 3.985 3.985 . 0 0 "[ ]" 1 303 1 87 GLU HA 1 87 GLU QG 3.000 . 3.900 2.205 2.205 2.205 . 0 0 "[ ]" 1 304 1 88 ALA H 1 88 ALA HA 3.000 . 3.300 2.799 2.799 2.799 . 0 0 "[ ]" 1 305 1 88 ALA H 1 88 ALA MB 2.500 . 3.800 2.197 2.197 2.197 . 0 0 "[ ]" 1 306 1 89 PHE H 1 89 PHE QB 2.500 . 3.300 2.171 2.171 2.171 . 0 0 "[ ]" 1 307 1 89 PHE H 1 89 PHE QD 4.000 . 7.000 4.204 4.204 4.204 . 0 0 "[ ]" 1 308 1 89 PHE H 1 89 PHE QE 4.000 . 7.000 6.176 6.176 6.176 . 0 0 "[ ]" 1 309 1 89 PHE HA 1 89 PHE QD 3.000 . 5.300 2.262 2.262 2.262 . 0 0 "[ ]" 1 310 1 89 PHE HA 1 89 PHE QB 2.500 . 3.700 2.465 2.465 2.465 . 0 0 "[ ]" 1 311 1 90 ARG H 1 90 ARG HA 2.500 . 2.700 2.744 2.744 2.744 0.044 1 0 "[ ]" 1 312 1 90 ARG H 1 90 ARG QB 2.500 . 3.300 2.248 2.248 2.248 . 0 0 "[ ]" 1 313 1 90 ARG H 1 90 ARG QG 4.000 . 6.000 3.947 3.947 3.947 . 0 0 "[ ]" 1 314 1 90 ARG HA 1 90 ARG QD 4.000 . 6.000 4.076 4.076 4.076 . 0 0 "[ ]" 1 315 1 91 VAL H 1 91 VAL HA 3.000 . 3.300 2.836 2.836 2.836 . 0 0 "[ ]" 1 316 1 91 VAL H 1 91 VAL HB 3.000 . 3.800 2.634 2.634 2.634 . 0 0 "[ ]" 1 317 1 91 VAL H 1 91 VAL QG 2.500 . 4.400 2.123 2.123 2.123 . 0 0 "[ ]" 1 318 1 91 VAL HA 1 91 VAL QG 2.500 . 3.300 2.071 2.071 2.071 . 0 0 "[ ]" 1 319 1 92 PHE H 1 92 PHE HA 3.000 . 3.300 2.840 2.840 2.840 . 0 0 "[ ]" 1 320 1 92 PHE HA 1 92 PHE QB 2.500 . 4.700 2.465 2.465 2.465 . 0 0 "[ ]" 1 321 1 92 PHE HA 1 92 PHE QD 3.000 . 5.300 2.935 2.935 2.935 . 0 0 "[ ]" 1 322 1 93 ASP H 1 93 ASP QB 2.500 . 3.300 2.302 2.302 2.302 . 0 0 "[ ]" 1 323 1 93 ASP H 1 93 ASP HA 3.000 . 3.300 2.923 2.923 2.923 . 0 0 "[ ]" 1 324 1 93 ASP HA 1 93 ASP QB 2.500 . 3.700 2.433 2.433 2.433 . 0 0 "[ ]" 1 325 1 94 LYS H 1 94 LYS HA 2.500 . 2.700 2.809 2.809 2.809 0.109 1 0 "[ ]" 1 326 1 94 LYS H 1 94 LYS QB 2.500 . 3.300 2.192 2.192 2.192 . 0 0 "[ ]" 1 327 1 94 LYS H 1 94 LYS QG 4.000 . 6.000 3.889 3.889 3.889 . 0 0 "[ ]" 1 328 1 94 LYS H 1 94 LYS QD 4.000 . 6.000 4.375 4.375 4.375 . 0 0 "[ ]" 1 329 1 94 LYS HA 1 94 LYS QB 2.500 . 3.700 2.420 2.420 2.420 . 0 0 "[ ]" 1 330 1 94 LYS HA 1 94 LYS QD 3.000 . 4.300 3.960 3.960 3.960 . 0 0 "[ ]" 1 331 1 95 ASP H 1 95 ASP QB 2.500 . 3.300 2.954 2.954 2.954 . 0 0 "[ ]" 1 332 1 95 ASP HA 1 95 ASP QB 2.500 . 3.700 2.166 2.166 2.166 . 0 0 "[ ]" 1 333 1 96 GLY H 1 96 GLY QA 2.500 . 3.300 2.517 2.517 2.517 . 0 0 "[ ]" 1 334 1 97 ASN H 1 97 ASN QB 2.500 . 3.300 2.866 2.866 2.866 . 0 0 "[ ]" 1 335 1 99 PHE H 1 99 PHE QD 4.000 . 7.000 2.522 2.522 2.522 . 0 0 "[ ]" 1 336 1 100 ILE H 1 100 ILE QG 4.000 . 6.000 2.159 2.159 2.159 . 0 0 "[ ]" 1 337 1 100 ILE H 1 100 ILE MD 4.000 . 6.500 3.725 3.725 3.725 . 0 0 "[ ]" 1 338 1 100 ILE H 1 100 ILE MG 4.000 . 6.500 3.843 3.843 3.843 . 0 0 "[ ]" 1 339 1 100 ILE H 1 100 ILE HB 3.000 . 3.300 2.675 2.675 2.675 . 0 0 "[ ]" 1 340 1 100 ILE HA 1 100 ILE MG 2.500 . 3.800 2.316 2.316 2.316 . 0 0 "[ ]" 1 341 1 100 ILE HA 1 100 ILE MD 4.000 . 6.500 3.836 3.836 3.836 . 0 0 "[ ]" 1 342 1 100 ILE HB 1 100 ILE MD 2.500 . 4.200 2.272 2.272 2.272 . 0 0 "[ ]" 1 343 1 100 ILE MD 1 100 ILE MG 2.500 . 5.700 2.047 2.047 2.047 . 0 0 "[ ]" 1 344 1 100 ILE QG 1 100 ILE MG 3.000 . 5.800 2.235 2.235 2.235 . 0 0 "[ ]" 1 345 1 101 SER H 1 101 SER QB 2.500 . 3.300 2.389 2.389 2.389 . 0 0 "[ ]" 1 346 1 101 SER HA 1 101 SER QB 2.500 . 3.700 2.503 2.503 2.503 . 0 0 "[ ]" 1 347 1 102 ALA H 1 102 ALA HA 2.500 . 2.700 2.826 2.826 2.826 0.126 1 0 "[ ]" 1 348 1 102 ALA H 1 102 ALA MB 2.500 . 3.800 2.083 2.083 2.083 . 0 0 "[ ]" 1 349 1 103 ALA H 1 103 ALA HA 2.500 . 2.700 2.854 2.854 2.854 0.154 1 0 "[ ]" 1 350 1 104 GLU H 1 104 GLU HA 2.500 . 2.700 2.753 2.753 2.753 0.053 1 0 "[ ]" 1 351 1 104 GLU H 1 104 GLU QB 2.500 . 3.300 2.291 2.291 2.291 . 0 0 "[ ]" 1 352 1 104 GLU HA 1 104 GLU QB 2.500 . 3.700 2.487 2.487 2.487 . 0 0 "[ ]" 1 353 1 105 LEU H 1 105 LEU HG 4.000 . 5.000 4.455 4.455 4.455 . 0 0 "[ ]" 1 354 1 105 LEU H 1 105 LEU QB 2.500 . 3.300 2.215 2.215 2.215 . 0 0 "[ ]" 1 355 1 105 LEU H 1 105 LEU QD 4.000 . 6.700 3.588 3.588 3.588 . 0 0 "[ ]" 1 356 1 105 LEU HA 1 105 LEU QB 2.500 . 3.700 2.432 2.432 2.432 . 0 0 "[ ]" 1 357 1 105 LEU HA 1 105 LEU HG 3.000 . 3.300 2.485 2.485 2.485 . 0 0 "[ ]" 1 358 1 106 ARG H 1 106 ARG QG 4.000 . 6.000 3.875 3.875 3.875 . 0 0 "[ ]" 1 359 1 106 ARG H 1 106 ARG QB 2.500 . 3.300 2.224 2.224 2.224 . 0 0 "[ ]" 1 360 1 106 ARG HA 1 106 ARG QB 2.500 . 3.700 2.434 2.434 2.434 . 0 0 "[ ]" 1 361 1 106 ARG HA 1 106 ARG QG 2.500 . 3.300 2.298 2.298 2.298 . 0 0 "[ ]" 1 362 1 106 ARG HA 1 106 ARG QD 4.000 . 6.000 4.015 4.015 4.015 . 0 0 "[ ]" 1 363 1 107 HIS H 1 107 HIS HA 3.000 . 3.300 2.904 2.904 2.904 . 0 0 "[ ]" 1 364 1 107 HIS H 1 107 HIS QB 3.000 . 3.900 2.106 2.106 2.106 . 0 0 "[ ]" 1 365 1 107 HIS HA 1 107 HIS QB 2.500 . 3.700 2.539 2.539 2.539 . 0 0 "[ ]" 1 366 1 108 VAL H 1 108 VAL QG 2.500 . 4.400 2.550 2.550 2.550 . 0 0 "[ ]" 1 367 1 108 VAL H 1 108 VAL HA 3.000 . 3.300 2.889 2.889 2.889 . 0 0 "[ ]" 1 368 1 108 VAL H 1 108 VAL HB 3.000 . 3.300 2.244 2.244 2.244 . 0 0 "[ ]" 1 369 1 108 VAL HA 1 108 VAL HB 2.500 . 2.700 2.971 2.971 2.971 0.271 1 0 "[ ]" 1 370 1 108 VAL HA 1 108 VAL QG 2.500 . 3.300 2.067 2.067 2.067 . 0 0 "[ ]" 1 371 1 109 MET H 1 109 MET QG 4.000 . 6.000 3.225 3.225 3.225 . 0 0 "[ ]" 1 372 1 109 MET H 1 109 MET QB 2.500 . 3.300 2.082 2.082 2.082 . 0 0 "[ ]" 1 373 1 109 MET HA 1 109 MET QB 2.500 . 3.700 2.534 2.534 2.534 . 0 0 "[ ]" 1 374 1 109 MET HA 1 109 MET QG 3.000 . 3.900 2.123 2.123 2.123 . 0 0 "[ ]" 1 375 1 109 MET ME 1 109 MET QG 3.000 . 5.800 2.109 2.109 2.109 . 0 0 "[ ]" 1 376 1 110 THR H 1 110 THR HB 4.000 . 5.000 2.405 2.405 2.405 . 0 0 "[ ]" 1 377 1 110 THR H 1 110 THR MG 4.000 . 6.500 3.772 3.772 3.772 . 0 0 "[ ]" 1 378 1 110 THR HA 1 110 THR HB 2.500 . 2.700 3.004 3.004 3.004 0.304 1 0 "[ ]" 1 379 1 110 THR HA 1 110 THR MG 2.500 . 3.800 2.412 2.412 2.412 . 0 0 "[ ]" 1 380 1 111 ASN H 1 111 ASN HA 3.000 . 3.300 2.913 2.913 2.913 . 0 0 "[ ]" 1 381 1 111 ASN H 1 111 ASN QB 2.500 . 3.300 2.091 2.091 2.091 . 0 0 "[ ]" 1 382 1 111 ASN HA 1 111 ASN QB 2.500 . 3.700 2.538 2.538 2.538 . 0 0 "[ ]" 1 383 1 112 LEU H 1 112 LEU QD 4.000 . 6.700 3.051 3.051 3.051 . 0 0 "[ ]" 1 384 1 112 LEU H 1 112 LEU HG 4.000 . 5.000 4.247 4.247 4.247 . 0 0 "[ ]" 1 385 1 112 LEU HA 1 112 LEU QD 2.500 . 4.400 2.495 2.495 2.495 . 0 0 "[ ]" 1 386 1 112 LEU HA 1 112 LEU QB 2.500 . 3.700 2.553 2.553 2.553 . 0 0 "[ ]" 1 387 1 112 LEU HA 1 112 LEU HG 3.000 . 3.300 2.163 2.163 2.163 . 0 0 "[ ]" 1 388 1 112 LEU QB 1 112 LEU QD 2.500 . 5.400 2.007 2.007 2.007 . 0 0 "[ ]" 1 389 1 114 GLU H 1 114 GLU HA 3.000 . 3.300 3.004 3.004 3.004 . 0 0 "[ ]" 1 390 1 114 GLU H 1 114 GLU QB 2.500 . 3.300 2.482 2.482 2.482 . 0 0 "[ ]" 1 391 1 114 GLU H 1 114 GLU QG 4.000 . 6.000 3.908 3.908 3.908 . 0 0 "[ ]" 1 392 1 114 GLU HA 1 114 GLU QB 2.500 . 3.700 2.538 2.538 2.538 . 0 0 "[ ]" 1 393 1 114 GLU HA 1 114 GLU QG 2.500 . 3.300 2.115 2.115 2.115 . 0 0 "[ ]" 1 394 1 115 LYS H 1 115 LYS QG 4.000 . 6.000 3.022 3.022 3.022 . 0 0 "[ ]" 1 395 1 115 LYS H 1 115 LYS QB 2.500 . 3.300 2.442 2.442 2.442 . 0 0 "[ ]" 1 396 1 115 LYS HA 1 115 LYS QB 2.500 . 3.700 2.428 2.428 2.428 . 0 0 "[ ]" 1 397 1 115 LYS HA 1 115 LYS QG 2.500 . 3.300 2.282 2.282 2.282 . 0 0 "[ ]" 1 398 1 116 LEU H 1 116 LEU QD 2.500 . 4.400 3.158 3.158 3.158 . 0 0 "[ ]" 1 399 1 116 LEU H 1 116 LEU HA 2.500 . 2.700 2.967 2.967 2.967 0.267 1 0 "[ ]" 1 400 1 116 LEU H 1 116 LEU QB 2.500 . 3.300 2.624 2.624 2.624 . 0 0 "[ ]" 1 401 1 116 LEU HA 1 116 LEU QB 2.500 . 3.700 2.359 2.359 2.359 . 0 0 "[ ]" 1 402 1 116 LEU HA 1 116 LEU QD 2.500 . 4.400 2.582 2.582 2.582 . 0 0 "[ ]" 1 403 1 116 LEU QB 1 116 LEU QD 2.500 . 5.400 1.871 1.871 1.871 . 0 0 "[ ]" 1 404 1 117 THR H 1 117 THR MG 3.000 . 4.800 1.983 1.983 1.983 . 0 0 "[ ]" 1 405 1 117 THR H 1 117 THR HB 4.000 . 5.000 3.637 3.637 3.637 . 0 0 "[ ]" 1 406 1 117 THR H 1 117 THR HA 3.000 . 3.300 2.810 2.810 2.810 . 0 0 "[ ]" 1 407 1 117 THR HA 1 117 THR HB 2.500 . 2.700 2.498 2.498 2.498 . 0 0 "[ ]" 1 408 1 117 THR HA 1 117 THR MG 2.500 . 3.800 2.474 2.474 2.474 . 0 0 "[ ]" 1 409 1 118 ASP H 1 118 ASP QB 2.500 . 3.300 2.191 2.191 2.191 . 0 0 "[ ]" 1 410 1 118 ASP HA 1 118 ASP QB 2.500 . 3.700 2.521 2.521 2.521 . 0 0 "[ ]" 1 411 1 119 GLU H 1 119 GLU HA 2.500 . 2.700 2.851 2.851 2.851 0.151 1 0 "[ ]" 1 412 1 119 GLU H 1 119 GLU QB 2.500 . 3.300 2.147 2.147 2.147 . 0 0 "[ ]" 1 413 1 119 GLU H 1 119 GLU QG 3.000 . 4.300 2.971 2.971 2.971 . 0 0 "[ ]" 1 414 1 120 GLU H 1 120 GLU QB 2.500 . 3.300 2.192 2.192 2.192 . 0 0 "[ ]" 1 415 1 120 GLU H 1 120 GLU QG 4.000 . 6.000 2.918 2.918 2.918 . 0 0 "[ ]" 1 416 1 120 GLU HA 1 120 GLU QB 2.500 . 3.700 2.524 2.524 2.524 . 0 0 "[ ]" 1 417 1 120 GLU HA 1 120 GLU QG 2.500 . 3.300 2.158 2.158 2.158 . 0 0 "[ ]" 1 418 1 121 VAL H 1 121 VAL HA 2.500 . 2.700 2.755 2.755 2.755 0.055 1 0 "[ ]" 1 419 1 121 VAL H 1 121 VAL HB 2.500 . 2.700 2.526 2.526 2.526 . 0 0 "[ ]" 1 420 1 121 VAL H 1 121 VAL QG 2.500 . 4.400 2.158 2.158 2.158 . 0 0 "[ ]" 1 421 1 121 VAL HA 1 121 VAL HB 3.000 . 3.300 3.023 3.023 3.023 . 0 0 "[ ]" 1 422 1 121 VAL HA 1 121 VAL QG 2.500 . 3.300 2.065 2.065 2.065 . 0 0 "[ ]" 1 423 1 122 ASP H 1 122 ASP HA 2.500 . 2.700 2.765 2.765 2.765 0.065 1 0 "[ ]" 1 424 1 122 ASP HA 1 122 ASP QB 2.500 . 3.700 2.428 2.428 2.428 . 0 0 "[ ]" 1 425 1 123 GLU H 1 123 GLU HA 2.500 . 2.700 2.845 2.845 2.845 0.145 1 0 "[ ]" 1 426 1 123 GLU H 1 123 GLU QB 2.500 . 3.300 2.068 2.068 2.068 . 0 0 "[ ]" 1 427 1 123 GLU H 1 123 GLU QG 3.000 . 4.300 3.579 3.579 3.579 . 0 0 "[ ]" 1 428 1 123 GLU HA 1 123 GLU QB 2.500 . 3.700 2.541 2.541 2.541 . 0 0 "[ ]" 1 429 1 123 GLU HA 1 123 GLU QG 2.500 . 3.300 2.148 2.148 2.148 . 0 0 "[ ]" 1 430 1 124 MET H 1 124 MET QG 3.000 . 4.300 2.190 2.190 2.190 . 0 0 "[ ]" 1 431 1 124 MET H 1 124 MET QB 3.000 . 3.900 2.477 2.477 2.477 . 0 0 "[ ]" 1 432 1 124 MET HA 1 124 MET QG 3.000 . 3.900 2.318 2.318 2.318 . 0 0 "[ ]" 1 433 1 124 MET HA 1 124 MET ME 3.000 . 4.800 3.721 3.721 3.721 . 0 0 "[ ]" 1 434 1 124 MET ME 1 124 MET QG 3.000 . 5.800 2.517 2.517 2.517 . 0 0 "[ ]" 1 435 1 125 ILE H 1 125 ILE MG 4.000 . 6.500 3.760 3.760 3.760 . 0 0 "[ ]" 1 436 1 125 ILE H 1 125 ILE HB 2.500 . 2.700 2.643 2.643 2.643 . 0 0 "[ ]" 1 437 1 125 ILE HA 1 125 ILE MD 2.500 . 4.200 3.661 3.661 3.661 . 0 0 "[ ]" 1 438 1 125 ILE MD 1 125 ILE MG 3.000 . 6.300 1.912 1.912 1.912 . 0 0 "[ ]" 1 439 1 125 ILE QG 1 125 ILE MG 3.000 . 5.800 2.386 2.386 2.386 . 0 0 "[ ]" 1 440 1 126 ARG H 1 126 ARG HA 2.500 . 2.700 2.778 2.778 2.778 0.078 1 0 "[ ]" 1 441 1 126 ARG H 1 126 ARG QG 4.000 . 6.000 3.311 3.311 3.311 . 0 0 "[ ]" 1 442 1 126 ARG HA 1 126 ARG QB 2.500 . 3.700 2.541 2.541 2.541 . 0 0 "[ ]" 1 443 1 126 ARG HA 1 126 ARG QG 2.500 . 3.300 2.145 2.145 2.145 . 0 0 "[ ]" 1 444 1 126 ARG HA 1 126 ARG QD 3.000 . 4.300 3.898 3.898 3.898 . 0 0 "[ ]" 1 445 1 127 GLU H 1 127 GLU HA 2.500 . 2.700 2.770 2.770 2.770 0.070 1 0 "[ ]" 1 446 1 127 GLU H 1 127 GLU QB 2.500 . 3.300 2.063 2.063 2.063 . 0 0 "[ ]" 1 447 1 127 GLU H 1 127 GLU QG 3.000 . 4.300 3.367 3.367 3.367 . 0 0 "[ ]" 1 448 1 127 GLU HA 1 127 GLU QB 2.500 . 3.700 2.543 2.543 2.543 . 0 0 "[ ]" 1 449 1 127 GLU HA 1 127 GLU QG 3.000 . 3.900 2.145 2.145 2.145 . 0 0 "[ ]" 1 450 1 128 ALA H 1 128 ALA MB 2.500 . 3.800 2.207 2.207 2.207 . 0 0 "[ ]" 1 451 1 129 ASP H 1 129 ASP QB 2.500 . 3.300 2.185 2.185 2.185 . 0 0 "[ ]" 1 452 1 129 ASP H 1 129 ASP HA 3.000 . 3.300 2.946 2.946 2.946 . 0 0 "[ ]" 1 453 1 129 ASP HA 1 129 ASP QB 2.500 . 3.700 2.535 2.535 2.535 . 0 0 "[ ]" 1 454 1 130 ILE H 1 130 ILE MG 4.000 . 6.500 3.696 3.696 3.696 . 0 0 "[ ]" 1 455 1 130 ILE H 1 130 ILE QG 4.000 . 6.000 2.969 2.969 2.969 . 0 0 "[ ]" 1 456 1 130 ILE H 1 130 ILE HB 2.500 . 2.700 2.332 2.332 2.332 . 0 0 "[ ]" 1 457 1 130 ILE HA 1 130 ILE QG 2.500 . 3.300 2.264 2.264 2.264 . 0 0 "[ ]" 1 458 1 130 ILE HA 1 130 ILE MG 2.500 . 3.800 2.478 2.478 2.478 . 0 0 "[ ]" 1 459 1 130 ILE HA 1 130 ILE MD 3.000 . 4.800 3.757 3.757 3.757 . 0 0 "[ ]" 1 460 1 130 ILE HB 1 130 ILE MD 3.000 . 4.800 2.191 2.191 2.191 . 0 0 "[ ]" 1 461 1 131 ASP H 1 131 ASP QB 2.500 . 3.300 2.955 2.955 2.955 . 0 0 "[ ]" 1 462 1 131 ASP H 1 131 ASP HA 3.000 . 3.300 2.902 2.902 2.902 . 0 0 "[ ]" 1 463 1 131 ASP HA 1 131 ASP QB 2.500 . 3.700 2.167 2.167 2.167 . 0 0 "[ ]" 1 464 1 133 ASP H 1 133 ASP QB 2.500 . 3.300 2.715 2.715 2.715 . 0 0 "[ ]" 1 465 1 133 ASP HA 1 133 ASP QB 2.500 . 3.700 2.259 2.259 2.259 . 0 0 "[ ]" 1 466 1 134 GLY H 1 134 GLY QA 2.500 . 3.300 2.370 2.370 2.370 . 0 0 "[ ]" 1 467 1 135 GLN H 1 135 GLN QB 3.000 . 3.900 2.521 2.521 2.521 . 0 0 "[ ]" 1 468 1 135 GLN H 1 135 GLN HA 3.000 . 3.300 2.997 2.997 2.997 . 0 0 "[ ]" 1 469 1 135 GLN H 1 135 GLN QG 4.000 . 6.000 2.810 2.810 2.810 . 0 0 "[ ]" 1 470 1 135 GLN HA 1 135 GLN QB 2.500 . 3.700 2.378 2.378 2.378 . 0 0 "[ ]" 1 471 1 136 VAL H 1 136 VAL QG 4.000 . 6.700 2.492 2.492 2.492 . 0 0 "[ ]" 1 472 1 136 VAL H 1 136 VAL HA 3.000 . 3.300 2.973 2.973 2.973 . 0 0 "[ ]" 1 473 1 136 VAL H 1 136 VAL HB 3.000 . 3.300 2.477 2.477 2.477 . 0 0 "[ ]" 1 474 1 136 VAL HA 1 136 VAL QG 2.500 . 3.300 2.090 2.090 2.090 . 0 0 "[ ]" 1 475 1 137 ASN H 1 137 ASN QB 2.500 . 3.300 2.287 2.287 2.287 . 0 0 "[ ]" 1 476 1 137 ASN HA 1 137 ASN QB 2.500 . 3.700 2.530 2.530 2.530 . 0 0 "[ ]" 1 477 1 138 TYR H 1 138 TYR QD 4.000 . 7.000 4.098 4.098 4.098 . 0 0 "[ ]" 1 478 1 138 TYR H 1 138 TYR HA 3.000 . 3.300 2.899 2.899 2.899 . 0 0 "[ ]" 1 479 1 138 TYR H 1 138 TYR QB 2.500 . 3.300 2.222 2.222 2.222 . 0 0 "[ ]" 1 480 1 138 TYR HA 1 138 TYR QB 2.500 . 3.700 2.482 2.482 2.482 . 0 0 "[ ]" 1 481 1 139 GLU H 1 139 GLU HA 2.500 . 2.700 2.831 2.831 2.831 0.131 1 0 "[ ]" 1 482 1 139 GLU H 1 139 GLU QB 3.000 . 3.900 2.097 2.097 2.097 . 0 0 "[ ]" 1 483 1 139 GLU H 1 139 GLU QG 3.000 . 4.300 3.099 3.099 3.099 . 0 0 "[ ]" 1 484 1 139 GLU HA 1 139 GLU QB 2.500 . 3.700 2.529 2.529 2.529 . 0 0 "[ ]" 1 485 1 139 GLU HA 1 139 GLU QG 3.000 . 3.900 2.156 2.156 2.156 . 0 0 "[ ]" 1 486 1 140 GLU H 1 140 GLU QB 2.500 . 3.300 2.499 2.499 2.499 . 0 0 "[ ]" 1 487 1 140 GLU H 1 140 GLU QG 4.000 . 6.000 2.023 2.023 2.023 . 0 0 "[ ]" 1 488 1 140 GLU HA 1 140 GLU QB 2.500 . 3.700 2.357 2.357 2.357 . 0 0 "[ ]" 1 489 1 140 GLU HA 1 140 GLU QG 3.000 . 3.900 2.396 2.396 2.396 . 0 0 "[ ]" 1 490 1 141 PHE H 1 141 PHE QD 4.000 . 7.000 4.209 4.209 4.209 . 0 0 "[ ]" 1 491 1 141 PHE H 1 141 PHE QB 2.500 . 3.300 2.282 2.282 2.282 . 0 0 "[ ]" 1 492 1 141 PHE H 1 141 PHE HA 3.000 . 3.300 2.887 2.887 2.887 . 0 0 "[ ]" 1 493 1 141 PHE HA 1 141 PHE QB 2.500 . 3.700 2.354 2.354 2.354 . 0 0 "[ ]" 1 494 1 142 VAL H 1 142 VAL QG 2.500 . 4.400 2.805 2.805 2.805 . 0 0 "[ ]" 1 495 1 142 VAL HA 1 142 VAL QG 2.500 . 3.300 2.086 2.086 2.086 . 0 0 "[ ]" 1 496 1 143 THR H 1 143 THR HB 2.500 . 2.700 2.221 2.221 2.221 . 0 0 "[ ]" 1 497 1 143 THR H 1 143 THR HA 3.000 . 3.300 2.836 2.836 2.836 . 0 0 "[ ]" 1 498 1 143 THR HA 1 143 THR MG 2.500 . 3.800 2.609 2.609 2.609 . 0 0 "[ ]" 1 499 1 144 MET H 1 144 MET QB 2.500 . 3.300 2.346 2.346 2.346 . 0 0 "[ ]" 1 500 1 144 MET H 1 144 MET QG 3.000 . 4.800 4.033 4.033 4.033 . 0 0 "[ ]" 1 501 1 144 MET H 1 144 MET HA 2.500 . 2.700 2.919 2.919 2.919 0.219 1 0 "[ ]" 1 502 1 145 MET H 1 145 MET QB 2.500 . 3.300 2.302 2.302 2.302 . 0 0 "[ ]" 1 503 1 145 MET H 1 145 MET HA 3.000 . 3.300 2.940 2.940 2.940 . 0 0 "[ ]" 1 504 1 145 MET HA 1 145 MET QB 2.500 . 3.700 2.435 2.435 2.435 . 0 0 "[ ]" 1 505 1 146 THR H 1 146 THR HB 4.000 . 5.000 2.441 2.441 2.441 . 0 0 "[ ]" 1 506 1 146 THR H 1 146 THR MG 4.000 . 6.500 2.802 2.802 2.802 . 0 0 "[ ]" 1 507 1 146 THR HA 1 146 THR HB 2.500 . 2.700 2.722 2.722 2.722 0.022 1 0 "[ ]" 1 508 1 146 THR HA 1 146 THR MG 2.500 . 3.800 3.153 3.153 3.153 . 0 0 "[ ]" 1 509 1 147 SER H 1 147 SER QB 3.000 . 3.900 2.679 2.679 2.679 . 0 0 "[ ]" 1 510 1 147 SER HA 1 147 SER QB 2.500 . 3.700 2.305 2.305 2.305 . 0 0 "[ ]" 1 511 1 148 LYS H 1 148 LYS HA 3.000 . 3.300 2.847 2.847 2.847 . 0 0 "[ ]" 1 512 1 148 LYS H 1 148 LYS QB 3.000 . 3.900 3.458 3.458 3.458 . 0 0 "[ ]" 1 513 1 148 LYS H 1 148 LYS QG 2.500 . 3.700 2.534 2.534 2.534 . 0 0 "[ ]" 1 514 1 148 LYS HA 1 148 LYS QD 4.000 . 6.000 4.243 4.243 4.243 . 0 0 "[ ]" 1 515 1 2 ASP HA 1 3 GLN H 3.000 . 3.300 3.367 3.367 3.367 0.067 1 0 "[ ]" 1 516 1 3 GLN QB 1 4 LEU H 3.000 . 4.300 2.957 2.957 2.957 . 0 0 "[ ]" 1 517 1 3 GLN HA 1 4 LEU H 3.000 . 3.300 3.394 3.394 3.394 0.094 1 0 "[ ]" 1 518 1 4 LEU HA 1 5 THR H 4.000 . 5.000 3.175 3.175 3.175 . 0 0 "[ ]" 1 519 1 4 LEU QB 1 5 THR H 4.000 . 6.000 3.530 3.530 3.530 . 0 0 "[ ]" 1 520 1 5 THR MG 1 6 GLU H 4.000 . 6.500 3.536 3.536 3.536 . 0 0 "[ ]" 1 521 1 5 THR HA 1 6 GLU H 4.000 . 5.000 3.522 3.522 3.522 . 0 0 "[ ]" 1 522 1 5 THR HB 1 6 GLU H 3.000 . 3.300 2.650 2.650 2.650 . 0 0 "[ ]" 1 523 1 6 GLU H 1 7 GLU H 3.000 . 3.300 2.842 2.842 2.842 . 0 0 "[ ]" 1 524 1 6 GLU HA 1 7 GLU H 4.000 . 5.000 3.146 3.146 3.146 . 0 0 "[ ]" 1 525 1 6 GLU QB 1 7 GLU H 3.000 . 4.300 3.572 3.572 3.572 . 0 0 "[ ]" 1 526 1 7 GLU H 1 8 GLN H 2.500 . 2.700 2.670 2.670 2.670 . 0 0 "[ ]" 1 527 1 7 GLU HA 1 8 GLN H 4.000 . 5.000 3.553 3.553 3.553 . 0 0 "[ ]" 1 528 1 7 GLU QB 1 8 GLN H 3.000 . 4.300 2.382 2.382 2.382 . 0 0 "[ ]" 1 529 1 8 GLN QB 1 9 ILE H 3.000 . 4.300 2.307 2.307 2.307 . 0 0 "[ ]" 1 530 1 8 GLN H 1 9 ILE H 3.000 . 3.300 2.724 2.724 2.724 . 0 0 "[ ]" 1 531 1 8 GLN HA 1 9 ILE H 4.000 . 5.000 3.549 3.549 3.549 . 0 0 "[ ]" 1 532 1 9 ILE MG 1 10 ALA H 4.000 . 6.500 3.533 3.533 3.533 . 0 0 "[ ]" 1 533 1 9 ILE H 1 10 ALA H 3.000 . 3.300 2.856 2.856 2.856 . 0 0 "[ ]" 1 534 1 9 ILE HB 1 10 ALA H 4.000 . 5.000 2.440 2.440 2.440 . 0 0 "[ ]" 1 535 1 9 ILE HA 1 10 ALA H 4.000 . 5.000 3.534 3.534 3.534 . 0 0 "[ ]" 1 536 1 9 ILE MD 1 10 ALA H 4.000 . 6.500 4.328 4.328 4.328 . 0 0 "[ ]" 1 537 1 10 ALA H 1 11 GLU H 3.000 . 3.300 2.666 2.666 2.666 . 0 0 "[ ]" 1 538 1 10 ALA MB 1 11 GLU H 3.000 . 4.800 2.758 2.758 2.758 . 0 0 "[ ]" 1 539 1 11 GLU HA 1 12 PHE H 4.000 . 5.000 3.597 3.597 3.597 . 0 0 "[ ]" 1 540 1 11 GLU QB 1 12 PHE H 4.000 . 6.000 2.482 2.482 2.482 . 0 0 "[ ]" 1 541 1 11 GLU H 1 12 PHE H 3.000 . 3.300 2.856 2.856 2.856 . 0 0 "[ ]" 1 542 1 12 PHE QB 1 13 LYS H 4.000 . 6.000 2.208 2.208 2.208 . 0 0 "[ ]" 1 543 1 12 PHE H 1 13 LYS H 2.500 . 2.700 2.779 2.779 2.779 0.079 1 0 "[ ]" 1 544 1 13 LYS HA 1 14 GLU H 4.000 . 5.000 3.564 3.564 3.564 . 0 0 "[ ]" 1 545 1 13 LYS H 1 14 GLU H 4.000 . 5.000 3.086 3.086 3.086 . 0 0 "[ ]" 1 546 1 13 LYS QB 1 14 GLU H 4.000 . 6.000 2.221 2.221 2.221 . 0 0 "[ ]" 1 547 1 14 GLU H 1 15 ALA H 3.000 . 3.300 2.769 2.769 2.769 . 0 0 "[ ]" 1 548 1 14 GLU QB 1 15 ALA H 3.000 . 4.300 2.800 2.800 2.800 . 0 0 "[ ]" 1 549 1 16 PHE HA 1 17 SER H 4.000 . 5.000 3.507 3.507 3.507 . 0 0 "[ ]" 1 550 1 16 PHE QB 1 17 SER H 2.500 . 3.700 2.780 2.780 2.780 . 0 0 "[ ]" 1 551 1 16 PHE QD 1 17 SER H 4.000 . 7.000 4.596 4.596 4.596 . 0 0 "[ ]" 1 552 1 16 PHE H 1 17 SER H 4.000 . 5.000 2.497 2.497 2.497 . 0 0 "[ ]" 1 553 1 17 SER HA 1 18 LEU H 4.000 . 5.000 3.428 3.428 3.428 . 0 0 "[ ]" 1 554 1 17 SER H 1 18 LEU H 3.000 . 3.300 2.461 2.461 2.461 . 0 0 "[ ]" 1 555 1 18 LEU QD 1 19 PHE QD 4.000 . 9.400 4.865 4.865 4.865 . 0 0 "[ ]" 1 556 1 18 LEU HA 1 19 PHE H 4.000 . 5.000 3.527 3.527 3.527 . 0 0 "[ ]" 1 557 1 18 LEU QB 1 19 PHE H 4.000 . 6.000 2.483 2.483 2.483 . 0 0 "[ ]" 1 558 1 18 LEU H 1 19 PHE H 4.000 . 5.000 2.299 2.299 2.299 . 0 0 "[ ]" 1 559 1 18 LEU QD 1 19 PHE HA 3.000 . 5.700 4.129 4.129 4.129 . 0 0 "[ ]" 1 560 1 19 PHE H 1 20 ASP H 4.000 . 5.000 2.547 2.547 2.547 . 0 0 "[ ]" 1 561 1 19 PHE QB 1 20 ASP H 4.000 . 6.000 2.573 2.573 2.573 . 0 0 "[ ]" 1 562 1 20 ASP HA 1 21 LYS H 2.500 . 2.700 2.203 2.203 2.203 . 0 0 "[ ]" 1 563 1 20 ASP QB 1 21 LYS H 4.000 . 6.000 3.960 3.960 3.960 . 0 0 "[ ]" 1 564 1 21 LYS HA 1 22 ASP H 3.000 . 3.300 3.368 3.368 3.368 0.068 1 0 "[ ]" 1 565 1 21 LYS H 1 22 ASP H 3.000 . 3.300 2.298 2.298 2.298 . 0 0 "[ ]" 1 566 1 21 LYS QB 1 22 ASP H 4.000 . 6.000 3.099 3.099 3.099 . 0 0 "[ ]" 1 567 1 22 ASP H 1 23 GLY H 3.000 . 3.300 2.728 2.728 2.728 . 0 0 "[ ]" 1 568 1 22 ASP HA 1 23 GLY H 4.000 . 5.000 3.567 3.567 3.567 . 0 0 "[ ]" 1 569 1 23 GLY QA 1 24 ASP H 4.000 . 6.000 2.927 2.927 2.927 . 0 0 "[ ]" 1 570 1 23 GLY H 1 24 ASP H 3.000 . 3.300 1.748 1.748 1.748 0.052 1 0 "[ ]" 1 571 1 24 ASP H 1 25 GLY H 3.000 . 3.300 2.364 2.364 2.364 . 0 0 "[ ]" 1 572 1 25 GLY H 1 26 THR H 4.000 . 5.000 2.540 2.540 2.540 . 0 0 "[ ]" 1 573 1 26 THR MG 1 27 ILE H 4.000 . 6.500 4.012 4.012 4.012 . 0 0 "[ ]" 1 574 1 26 THR HA 1 27 ILE H 2.500 . 2.700 2.222 2.222 2.222 . 0 0 "[ ]" 1 575 1 27 ILE MG 1 28 THR H 4.000 . 6.500 3.003 3.003 3.003 . 0 0 "[ ]" 1 576 1 27 ILE HA 1 28 THR H 3.000 . 3.300 2.156 2.156 2.156 . 0 0 "[ ]" 1 577 1 28 THR HA 1 29 THR H 2.500 . 2.700 2.434 2.434 2.434 . 0 0 "[ ]" 1 578 1 29 THR HA 1 30 LYS H 4.000 . 5.000 3.428 3.428 3.428 . 0 0 "[ ]" 1 579 1 29 THR MG 1 30 LYS H 4.000 . 6.500 4.010 4.010 4.010 . 0 0 "[ ]" 1 580 1 29 THR H 1 30 LYS H 3.000 . 3.300 2.642 2.642 2.642 . 0 0 "[ ]" 1 581 1 30 LYS QB 1 31 GLU H 4.000 . 6.000 2.154 2.154 2.154 . 0 0 "[ ]" 1 582 1 30 LYS QG 1 31 GLU HA 4.000 . 7.000 4.562 4.562 4.562 . 0 0 "[ ]" 1 583 1 30 LYS QD 1 31 GLU HA 4.000 . 6.000 5.094 5.094 5.094 . 0 0 "[ ]" 1 584 1 31 GLU HA 1 32 LEU H 3.000 . 3.300 3.443 3.443 3.443 0.143 1 0 "[ ]" 1 585 1 31 GLU H 1 32 LEU H 3.000 . 3.300 2.508 2.508 2.508 . 0 0 "[ ]" 1 586 1 31 GLU QB 1 32 LEU H 4.000 . 6.000 2.748 2.748 2.748 . 0 0 "[ ]" 1 587 1 32 LEU QB 1 33 GLY H 4.000 . 6.000 2.230 2.230 2.230 . 0 0 "[ ]" 1 588 1 32 LEU QD 1 33 GLY H 4.000 . 7.400 3.505 3.505 3.505 . 0 0 "[ ]" 1 589 1 32 LEU H 1 33 GLY H 4.000 . 5.000 2.617 2.617 2.617 . 0 0 "[ ]" 1 590 1 32 LEU QD 1 33 GLY QA 2.500 . 6.100 3.511 3.511 3.511 . 0 0 "[ ]" 1 591 1 33 GLY QA 1 34 THR H 4.000 . 6.000 2.520 2.520 2.520 . 0 0 "[ ]" 1 592 1 33 GLY H 1 34 THR H 3.000 . 3.300 2.976 2.976 2.976 . 0 0 "[ ]" 1 593 1 34 THR MG 1 35 VAL QG 3.000 . 7.200 4.071 4.071 4.071 . 0 0 "[ ]" 1 594 1 34 THR HA 1 35 VAL H 4.000 . 5.000 3.544 3.544 3.544 . 0 0 "[ ]" 1 595 1 34 THR MG 1 35 VAL H 4.000 . 6.500 3.703 3.703 3.703 . 0 0 "[ ]" 1 596 1 34 THR HB 1 35 VAL H 4.000 . 5.000 2.901 2.901 2.901 . 0 0 "[ ]" 1 597 1 34 THR H 1 35 VAL H 3.000 . 3.300 3.157 3.157 3.157 . 0 0 "[ ]" 1 598 1 34 THR MG 1 35 VAL HA 4.000 . 6.500 5.326 5.326 5.326 . 0 0 "[ ]" 1 599 1 35 VAL QG 1 36 MET QG 4.000 . 8.400 4.640 4.640 4.640 . 0 0 "[ ]" 1 600 1 35 VAL QG 1 36 MET H 4.000 . 7.400 2.832 2.832 2.832 . 0 0 "[ ]" 1 601 1 35 VAL H 1 36 MET H 3.000 . 3.300 3.025 3.025 3.025 . 0 0 "[ ]" 1 602 1 35 VAL HA 1 36 MET H 4.000 . 5.000 3.568 3.568 3.568 . 0 0 "[ ]" 1 603 1 35 VAL HB 1 36 MET H 4.000 . 5.000 2.031 2.031 2.031 . 0 0 "[ ]" 1 604 1 36 MET HA 1 37 ARG H 4.000 . 5.000 3.513 3.513 3.513 . 0 0 "[ ]" 1 605 1 36 MET H 1 37 ARG H 4.000 . 5.000 2.929 2.929 2.929 . 0 0 "[ ]" 1 606 1 36 MET QB 1 37 ARG H 3.000 . 4.300 2.576 2.576 2.576 . 0 0 "[ ]" 1 607 1 37 ARG H 1 38 SER H 4.000 . 5.000 2.639 2.639 2.639 . 0 0 "[ ]" 1 608 1 37 ARG QB 1 38 SER H 4.000 . 6.000 2.458 2.458 2.458 . 0 0 "[ ]" 1 609 1 38 SER HA 1 39 LEU QD 4.000 . 7.400 4.885 4.885 4.885 . 0 0 "[ ]" 1 610 1 38 SER HA 1 39 LEU QB 4.000 . 6.000 4.801 4.801 4.801 . 0 0 "[ ]" 1 611 1 38 SER H 1 39 LEU H 2.500 . 2.700 2.764 2.764 2.764 0.064 1 0 "[ ]" 1 612 1 38 SER QB 1 39 LEU H 4.000 . 6.000 3.646 3.646 3.646 . 0 0 "[ ]" 1 613 1 39 LEU HA 1 40 GLY H 4.000 . 5.000 3.520 3.520 3.520 . 0 0 "[ ]" 1 614 1 39 LEU H 1 40 GLY H 4.000 . 5.000 1.876 1.876 1.876 . 0 0 "[ ]" 1 615 1 39 LEU QB 1 40 GLY H 4.000 . 6.000 2.676 2.676 2.676 . 0 0 "[ ]" 1 616 1 40 GLY H 1 41 GLN H 3.000 . 3.300 1.969 1.969 1.969 . 0 0 "[ ]" 1 617 1 41 GLN HA 1 42 ASN H 3.000 . 3.300 2.467 2.467 2.467 . 0 0 "[ ]" 1 618 1 41 GLN QB 1 42 ASN H 4.000 . 6.000 2.755 2.755 2.755 . 0 0 "[ ]" 1 619 1 43 PRO QB 1 44 THR H 3.000 . 4.300 1.678 1.678 1.678 . 0 0 "[ ]" 1 620 1 43 PRO HA 1 44 THR H 3.000 . 3.300 3.459 3.459 3.459 0.159 1 0 "[ ]" 1 621 1 44 THR MG 1 45 GLU QB 4.000 . 7.500 4.903 4.903 4.903 . 0 0 "[ ]" 1 622 1 44 THR MG 1 45 GLU H 4.000 . 4.800 3.396 3.396 3.396 . 0 0 "[ ]" 1 623 1 44 THR HA 1 45 GLU H 2.500 . 2.700 2.518 2.518 2.518 . 0 0 "[ ]" 1 624 1 44 THR HB 1 45 GLU H 4.000 . 5.000 2.191 2.191 2.191 . 0 0 "[ ]" 1 625 1 45 GLU QB 1 46 ALA H 2.500 . 3.700 2.557 2.557 2.557 . 0 0 "[ ]" 1 626 1 45 GLU HA 1 46 ALA H 4.000 . 5.000 3.544 3.544 3.544 . 0 0 "[ ]" 1 627 1 45 GLU H 1 46 ALA H 2.500 . 2.700 2.281 2.281 2.281 . 0 0 "[ ]" 1 628 1 45 GLU QB 1 46 ALA MB 4.000 . 7.500 3.889 3.889 3.889 . 0 0 "[ ]" 1 629 1 45 GLU QG 1 46 ALA MB 4.000 . 7.500 5.521 5.521 5.521 . 0 0 "[ ]" 1 630 1 46 ALA H 1 47 GLU H 3.000 . 3.300 2.846 2.846 2.846 . 0 0 "[ ]" 1 631 1 46 ALA HA 1 47 GLU H 4.000 . 5.000 3.530 3.530 3.530 . 0 0 "[ ]" 1 632 1 46 ALA MB 1 47 GLU H 3.000 . 4.800 2.615 2.615 2.615 . 0 0 "[ ]" 1 633 1 46 ALA MB 1 47 GLU HA 4.000 . 6.500 3.698 3.698 3.698 . 0 0 "[ ]" 1 634 1 47 GLU QB 1 48 LEU H 2.500 . 3.700 2.563 2.563 2.563 . 0 0 "[ ]" 1 635 1 47 GLU H 1 48 LEU H 2.500 . 2.700 2.681 2.681 2.681 . 0 0 "[ ]" 1 636 1 48 LEU H 1 49 GLN H 2.500 . 2.700 2.696 2.696 2.696 . 0 0 "[ ]" 1 637 1 48 LEU QB 1 49 GLN H 3.000 . 4.300 2.563 2.563 2.563 . 0 0 "[ ]" 1 638 1 48 LEU HA 1 49 GLN H 4.000 . 5.000 3.544 3.544 3.544 . 0 0 "[ ]" 1 639 1 49 GLN H 1 50 ASP H 2.500 . 2.700 2.655 2.655 2.655 . 0 0 "[ ]" 1 640 1 49 GLN HA 1 50 ASP H 4.000 . 5.000 3.527 3.527 3.527 . 0 0 "[ ]" 1 641 1 49 GLN QB 1 50 ASP H 3.000 . 4.300 2.558 2.558 2.558 . 0 0 "[ ]" 1 642 1 50 ASP H 1 51 MET H 2.500 . 2.700 2.588 2.588 2.588 . 0 0 "[ ]" 1 643 1 50 ASP QB 1 51 MET H 2.500 . 3.700 2.595 2.595 2.595 . 0 0 "[ ]" 1 644 1 50 ASP HA 1 51 MET H 4.000 . 5.000 3.512 3.512 3.512 . 0 0 "[ ]" 1 645 1 51 MET H 1 52 ILE H 3.000 . 3.300 2.548 2.548 2.548 . 0 0 "[ ]" 1 646 1 51 MET HA 1 52 ILE H 4.000 . 5.000 3.469 3.469 3.469 . 0 0 "[ ]" 1 647 1 51 MET QB 1 52 ILE H 4.000 . 6.000 2.827 2.827 2.827 . 0 0 "[ ]" 1 648 1 52 ILE QG 1 53 ASN H 4.000 . 6.000 4.563 4.563 4.563 . 0 0 "[ ]" 1 649 1 52 ILE MG 1 53 ASN H 4.000 . 6.500 2.641 2.641 2.641 . 0 0 "[ ]" 1 650 1 52 ILE H 1 53 ASN H 3.000 . 3.300 2.410 2.410 2.410 . 0 0 "[ ]" 1 651 1 52 ILE HB 1 53 ASN H 3.000 . 3.300 3.290 3.290 3.290 . 0 0 "[ ]" 1 652 1 52 ILE MG 1 53 ASN HA 3.000 . 4.800 3.020 3.020 3.020 . 0 0 "[ ]" 1 653 1 53 ASN QB 1 54 GLU H 4.000 . 6.000 2.858 2.858 2.858 . 0 0 "[ ]" 1 654 1 53 ASN H 1 54 GLU H 3.000 . 3.300 2.438 2.438 2.438 . 0 0 "[ ]" 1 655 1 53 ASN HA 1 54 GLU H 4.000 . 5.000 3.482 3.482 3.482 . 0 0 "[ ]" 1 656 1 54 GLU QB 1 55 VAL QG 2.500 . 6.100 3.835 3.835 3.835 . 0 0 "[ ]" 1 657 1 54 GLU QG 1 55 VAL QG 4.000 . 8.400 4.846 4.846 4.846 . 0 0 "[ ]" 1 658 1 54 GLU H 1 55 VAL H 4.000 . 5.000 2.668 2.668 2.668 . 0 0 "[ ]" 1 659 1 54 GLU HA 1 55 VAL H 4.000 . 5.000 3.331 3.331 3.331 . 0 0 "[ ]" 1 660 1 54 GLU QB 1 55 VAL H 4.000 . 6.000 3.281 3.281 3.281 . 0 0 "[ ]" 1 661 1 55 VAL QG 1 56 ASP H 4.000 . 7.400 2.256 2.256 2.256 . 0 0 "[ ]" 1 662 1 55 VAL H 1 56 ASP H 2.500 . 2.700 1.910 1.910 1.910 . 0 0 "[ ]" 1 663 1 55 VAL HA 1 56 ASP H 4.000 . 5.000 3.516 3.516 3.516 . 0 0 "[ ]" 1 664 1 55 VAL QG 1 56 ASP HA 4.000 . 7.400 2.854 2.854 2.854 . 0 0 "[ ]" 1 665 1 56 ASP H 1 57 ALA H 4.000 . 5.000 4.367 4.367 4.367 . 0 0 "[ ]" 1 666 1 56 ASP HA 1 57 ALA H 2.500 . 2.700 2.174 2.174 2.174 . 0 0 "[ ]" 1 667 1 57 ALA H 1 58 ASP H 4.000 . 5.000 2.791 2.791 2.791 . 0 0 "[ ]" 1 668 1 57 ALA HA 1 58 ASP H 4.000 . 5.000 3.562 3.562 3.562 . 0 0 "[ ]" 1 669 1 57 ALA MB 1 58 ASP H 3.000 . 4.800 2.184 2.184 2.184 . 0 0 "[ ]" 1 670 1 58 ASP H 1 59 GLY H 3.000 . 3.300 3.099 3.099 3.099 . 0 0 "[ ]" 1 671 1 58 ASP HA 1 59 GLY H 4.000 . 5.000 3.566 3.566 3.566 . 0 0 "[ ]" 1 672 1 59 GLY H 1 60 ASN H 4.000 . 5.000 1.781 1.781 1.781 0.019 1 0 "[ ]" 1 673 1 59 GLY QA 1 60 ASN H 4.000 . 6.000 2.930 2.930 2.930 . 0 0 "[ ]" 1 674 1 60 ASN H 1 61 GLY H 3.000 . 3.300 2.757 2.757 2.757 . 0 0 "[ ]" 1 675 1 61 GLY QA 1 62 THR H 4.000 . 6.000 2.917 2.917 2.917 . 0 0 "[ ]" 1 676 1 62 THR HA 1 63 ILE H 2.500 . 2.700 2.613 2.613 2.613 . 0 0 "[ ]" 1 677 1 62 THR HB 1 63 ILE H 3.000 . 3.300 2.134 2.134 2.134 . 0 0 "[ ]" 1 678 1 63 ILE HB 1 64 ASP H 4.000 . 5.000 3.701 3.701 3.701 . 0 0 "[ ]" 1 679 1 63 ILE MG 1 64 ASP H 4.000 . 6.500 2.367 2.367 2.367 . 0 0 "[ ]" 1 680 1 63 ILE HA 1 64 ASP H 2.500 . 2.700 2.160 2.160 2.160 . 0 0 "[ ]" 1 681 1 64 ASP HA 1 65 PHE H 3.000 . 3.300 2.910 2.910 2.910 . 0 0 "[ ]" 1 682 1 64 ASP QB 1 65 PHE H 2.500 . 3.700 1.693 1.693 1.693 . 0 0 "[ ]" 1 683 1 68 PHE H 1 69 LEU H 3.000 . 3.300 2.843 2.843 2.843 . 0 0 "[ ]" 1 684 1 67 GLU HA 1 68 PHE H 4.000 . 5.000 3.575 3.575 3.575 . 0 0 "[ ]" 1 685 1 67 GLU H 1 68 PHE H 4.000 . 5.000 2.790 2.790 2.790 . 0 0 "[ ]" 1 686 1 67 GLU QB 1 68 PHE H 4.000 . 6.000 2.626 2.626 2.626 . 0 0 "[ ]" 1 687 1 69 LEU H 1 70 THR H 3.000 . 3.300 2.837 2.837 2.837 . 0 0 "[ ]" 1 688 1 68 PHE QD 1 69 LEU H 4.000 . 7.000 3.841 3.841 3.841 . 0 0 "[ ]" 1 689 1 68 PHE HA 1 69 LEU H 4.000 . 5.000 3.549 3.549 3.549 . 0 0 "[ ]" 1 690 1 68 PHE QB 1 69 LEU H 4.000 . 6.000 2.081 2.081 2.081 . 0 0 "[ ]" 1 691 1 70 THR H 1 71 MET H 2.500 . 2.700 2.713 2.713 2.713 0.013 1 0 "[ ]" 1 692 1 69 LEU QB 1 70 THR H 4.000 . 6.000 2.519 2.519 2.519 . 0 0 "[ ]" 1 693 1 69 LEU QD 1 70 THR H 4.000 . 7.400 4.073 4.073 4.073 . 0 0 "[ ]" 1 694 1 69 LEU HA 1 70 THR H 4.000 . 5.000 3.525 3.525 3.525 . 0 0 "[ ]" 1 695 1 71 MET H 1 72 MET H 2.500 . 2.700 2.728 2.728 2.728 0.028 1 0 "[ ]" 1 696 1 70 THR HB 1 71 MET H 4.000 . 5.000 2.635 2.635 2.635 . 0 0 "[ ]" 1 697 1 70 THR MG 1 71 MET H 4.000 . 6.500 3.591 3.591 3.591 . 0 0 "[ ]" 1 698 1 70 THR MG 1 71 MET HA 4.000 . 6.500 3.663 3.663 3.663 . 0 0 "[ ]" 1 699 1 71 MET QG 1 72 MET ME 4.000 . 7.500 4.921 4.921 4.921 . 0 0 "[ ]" 1 700 1 72 MET H 1 73 ALA H 2.500 . 2.700 2.364 2.364 2.364 . 0 0 "[ ]" 1 701 1 71 MET HA 1 72 MET H 3.500 . 4.000 3.502 3.502 3.502 . 0 0 "[ ]" 1 702 1 71 MET QB 1 72 MET H 3.000 . 4.300 2.771 2.771 2.771 . 0 0 "[ ]" 1 703 1 73 ALA H 1 74 ARG H 2.500 . 2.700 2.633 2.633 2.633 . 0 0 "[ ]" 1 704 1 72 MET QB 1 73 ALA H 4.000 . 6.000 2.553 2.553 2.553 . 0 0 "[ ]" 1 705 1 72 MET QG 1 73 ALA H 4.000 . 6.000 4.322 4.322 4.322 . 0 0 "[ ]" 1 706 1 72 MET HA 1 73 ALA H 3.500 . 4.000 3.557 3.557 3.557 . 0 0 "[ ]" 1 707 1 73 ALA HA 1 74 ARG H 3.000 . 3.300 3.495 3.495 3.495 0.195 1 0 "[ ]" 1 708 1 73 ALA MB 1 74 ARG H 3.000 . 4.800 2.691 2.691 2.691 . 0 0 "[ ]" 1 709 1 74 ARG HA 1 75 LYS H 3.000 . 3.300 2.134 2.134 2.134 . 0 0 "[ ]" 1 710 1 75 LYS HA 1 76 MET H 3.000 . 3.300 2.339 2.339 2.339 . 0 0 "[ ]" 1 711 1 76 MET HA 1 77 LYS H 2.500 . 2.700 2.189 2.189 2.189 . 0 0 "[ ]" 1 712 1 76 MET QB 1 77 LYS H 4.000 . 6.000 3.412 3.412 3.412 . 0 0 "[ ]" 1 713 1 77 LYS HA 1 78 ASP H 3.000 . 3.300 3.361 3.361 3.361 0.061 1 0 "[ ]" 1 714 1 78 ASP HA 1 79 THR H 3.000 . 3.300 2.092 2.092 2.092 . 0 0 "[ ]" 1 715 1 78 ASP QB 1 79 THR H 4.000 . 6.000 3.357 3.357 3.357 . 0 0 "[ ]" 1 716 1 79 THR HA 1 80 ASP H 3.000 . 3.300 2.134 2.134 2.134 . 0 0 "[ ]" 1 717 1 79 THR MG 1 80 ASP H 4.000 . 6.500 4.322 4.322 4.322 . 0 0 "[ ]" 1 718 1 80 ASP HA 1 81 SER H 3.000 . 3.300 2.157 2.157 2.157 . 0 0 "[ ]" 1 719 1 80 ASP QB 1 81 SER H 4.000 . 6.000 3.296 3.296 3.296 . 0 0 "[ ]" 1 720 1 81 SER HA 1 82 GLU H 3.000 . 3.300 2.590 2.590 2.590 . 0 0 "[ ]" 1 721 1 82 GLU H 1 83 GLU H 3.000 . 3.300 2.870 2.870 2.870 . 0 0 "[ ]" 1 722 1 82 GLU HA 1 83 GLU H 3.500 . 4.000 3.434 3.434 3.434 . 0 0 "[ ]" 1 723 1 83 GLU H 1 84 GLU H 2.500 . 2.700 2.785 2.785 2.785 0.085 1 0 "[ ]" 1 724 1 82 GLU QB 1 83 GLU H 4.000 . 6.000 3.018 3.018 3.018 . 0 0 "[ ]" 1 725 1 84 GLU H 1 85 ILE H 4.000 . 5.000 2.879 2.879 2.879 . 0 0 "[ ]" 1 726 1 83 GLU HA 1 84 GLU H 3.500 . 4.000 3.481 3.481 3.481 . 0 0 "[ ]" 1 727 1 83 GLU QB 1 84 GLU H 4.000 . 6.000 2.757 2.757 2.757 . 0 0 "[ ]" 1 728 1 85 ILE H 1 86 ARG H 3.000 . 3.300 2.821 2.821 2.821 . 0 0 "[ ]" 1 729 1 84 GLU QB 1 85 ILE H 3.500 . 5.000 2.044 2.044 2.044 . 0 0 "[ ]" 1 730 1 85 ILE MG 1 86 ARG HA 4.000 . 6.500 3.438 3.438 3.438 . 0 0 "[ ]" 1 731 1 85 ILE HA 1 86 ARG H 3.500 . 4.000 3.515 3.515 3.515 . 0 0 "[ ]" 1 732 1 85 ILE HB 1 86 ARG H 3.000 . 3.300 2.449 2.449 2.449 . 0 0 "[ ]" 1 733 1 86 ARG H 1 87 GLU H 3.000 . 3.300 3.021 3.021 3.021 . 0 0 "[ ]" 1 734 1 87 GLU H 1 88 ALA H 3.000 . 3.300 2.908 2.908 2.908 . 0 0 "[ ]" 1 735 1 88 ALA H 1 89 PHE H 2.500 . 2.700 2.790 2.790 2.790 0.090 1 0 "[ ]" 1 736 1 87 GLU QB 1 88 ALA H 4.000 . 6.000 2.329 2.329 2.329 . 0 0 "[ ]" 1 737 1 89 PHE H 1 90 ARG H 3.000 . 3.300 2.933 2.933 2.933 . 0 0 "[ ]" 1 738 1 88 ALA HA 1 89 PHE H 3.500 . 4.000 3.522 3.522 3.522 . 0 0 "[ ]" 1 739 1 88 ALA MB 1 89 PHE H 2.500 . 4.200 2.359 2.359 2.359 . 0 0 "[ ]" 1 740 1 89 PHE HA 1 90 ARG H 3.500 . 4.000 3.577 3.577 3.577 . 0 0 "[ ]" 1 741 1 90 ARG H 1 91 VAL H 3.000 . 3.300 2.978 2.978 2.978 . 0 0 "[ ]" 1 742 1 89 PHE QB 1 90 ARG H 4.000 . 6.000 2.035 2.035 2.035 . 0 0 "[ ]" 1 743 1 91 VAL H 1 92 PHE H 3.000 . 3.300 2.807 2.807 2.807 . 0 0 "[ ]" 1 744 1 90 ARG QB 1 91 VAL H 3.500 . 5.000 2.499 2.499 2.499 . 0 0 "[ ]" 1 745 1 91 VAL QG 1 92 PHE QD 4.000 . 9.400 3.266 3.266 3.266 . 0 0 "[ ]" 1 746 1 90 ARG QG 1 91 VAL QG 4.000 . 8.400 3.948 3.948 3.948 . 0 0 "[ ]" 1 747 1 92 PHE H 1 93 ASP H 3.000 . 3.300 2.894 2.894 2.894 . 0 0 "[ ]" 1 748 1 91 VAL HB 1 92 PHE H 4.000 . 5.000 2.334 2.334 2.334 . 0 0 "[ ]" 1 749 1 91 VAL QG 1 92 PHE HA 3.000 . 5.700 3.534 3.534 3.534 . 0 0 "[ ]" 1 750 1 92 PHE QB 1 93 ASP H 4.000 . 6.000 2.319 2.319 2.319 . 0 0 "[ ]" 1 751 1 92 PHE HA 1 93 ASP H 4.000 . 5.000 3.572 3.572 3.572 . 0 0 "[ ]" 1 752 1 93 ASP HA 1 94 LYS H 3.000 . 3.300 2.311 2.311 2.311 . 0 0 "[ ]" 1 753 1 94 LYS HA 1 95 ASP H 4.000 . 5.000 3.573 3.573 3.573 . 0 0 "[ ]" 1 754 1 94 LYS H 1 95 ASP H 3.000 . 3.300 3.018 3.018 3.018 . 0 0 "[ ]" 1 755 1 94 LYS QB 1 95 ASP H 3.000 . 4.300 2.111 2.111 2.111 . 0 0 "[ ]" 1 756 1 95 ASP H 1 96 GLY H 4.000 . 5.000 3.524 3.524 3.524 . 0 0 "[ ]" 1 757 1 95 ASP HA 1 96 GLY H 4.000 . 5.000 3.533 3.533 3.533 . 0 0 "[ ]" 1 758 1 96 GLY H 1 97 ASN H 4.000 . 5.000 1.821 1.821 1.821 . 0 0 "[ ]" 1 759 1 96 GLY QA 1 97 ASN H 4.000 . 6.000 2.749 2.749 2.749 . 0 0 "[ ]" 1 760 1 97 ASN H 1 98 GLY H 4.000 . 5.000 2.340 2.340 2.340 . 0 0 "[ ]" 1 761 1 98 GLY QA 1 99 PHE H 4.000 . 6.000 2.808 2.808 2.808 . 0 0 "[ ]" 1 762 1 98 GLY H 1 99 PHE H 4.000 . 5.000 2.484 2.484 2.484 . 0 0 "[ ]" 1 763 1 99 PHE QB 1 100 ILE H 4.000 . 6.000 2.644 2.644 2.644 . 0 0 "[ ]" 1 764 1 99 PHE HA 1 100 ILE H 2.500 . 2.700 2.361 2.361 2.361 . 0 0 "[ ]" 1 765 1 100 ILE MG 1 101 SER H 4.000 . 6.500 2.111 2.111 2.111 . 0 0 "[ ]" 1 766 1 100 ILE HA 1 101 SER H 2.500 . 2.700 2.193 2.193 2.193 . 0 0 "[ ]" 1 767 1 101 SER HA 1 102 ALA H 2.500 . 2.700 2.442 2.442 2.442 . 0 0 "[ ]" 1 768 1 101 SER QB 1 102 ALA H 2.500 . 3.700 2.458 2.458 2.458 . 0 0 "[ ]" 1 769 1 102 ALA HA 1 103 ALA H 3.000 . 3.300 3.508 3.508 3.508 0.208 1 0 "[ ]" 1 770 1 102 ALA MB 1 103 ALA H 3.000 . 4.800 2.508 2.508 2.508 . 0 0 "[ ]" 1 771 1 102 ALA H 1 103 ALA H 3.000 . 3.300 2.750 2.750 2.750 . 0 0 "[ ]" 1 772 1 103 ALA MB 1 104 GLU H 3.000 . 4.800 2.239 2.239 2.239 . 0 0 "[ ]" 1 773 1 103 ALA H 1 104 GLU H 2.500 . 2.700 2.735 2.735 2.735 0.035 1 0 "[ ]" 1 774 1 104 GLU H 1 105 LEU H 3.000 . 3.300 3.280 3.280 3.280 . 0 0 "[ ]" 1 775 1 103 ALA HA 1 104 GLU H 4.000 . 5.000 3.551 3.551 3.551 . 0 0 "[ ]" 1 776 1 104 GLU QB 1 105 LEU H 4.000 . 6.000 2.123 2.123 2.123 . 0 0 "[ ]" 1 777 1 105 LEU H 1 106 ARG H 4.000 . 5.000 3.054 3.054 3.054 . 0 0 "[ ]" 1 778 1 105 LEU QB 1 106 ARG H 3.000 . 4.300 2.098 2.098 2.098 . 0 0 "[ ]" 1 779 1 106 ARG QB 1 107 HIS H 4.000 . 6.000 2.636 2.636 2.636 . 0 0 "[ ]" 1 780 1 107 HIS QB 1 108 VAL H 4.000 . 6.000 2.592 2.592 2.592 . 0 0 "[ ]" 1 781 1 108 VAL H 1 109 MET H 3.000 . 3.300 2.591 2.591 2.591 . 0 0 "[ ]" 1 782 1 108 VAL QG 1 109 MET H 4.000 . 7.400 2.972 2.972 2.972 . 0 0 "[ ]" 1 783 1 108 VAL HA 1 109 MET H 4.000 . 5.000 3.526 3.526 3.526 . 0 0 "[ ]" 1 784 1 108 VAL HB 1 109 MET H 4.000 . 5.000 2.733 2.733 2.733 . 0 0 "[ ]" 1 785 1 108 VAL QG 1 109 MET ME 4.000 . 8.900 4.322 4.322 4.322 . 0 0 "[ ]" 1 786 1 109 MET H 1 110 THR H 4.000 . 5.000 2.520 2.520 2.520 . 0 0 "[ ]" 1 787 1 109 MET QB 1 110 THR H 4.000 . 6.000 2.765 2.765 2.765 . 0 0 "[ ]" 1 788 1 109 MET QG 1 110 THR H 4.000 . 6.000 4.403 4.403 4.403 . 0 0 "[ ]" 1 789 1 110 THR MG 1 111 ASN H 4.000 . 6.500 3.582 3.582 3.582 . 0 0 "[ ]" 1 790 1 110 THR H 1 111 ASN H 3.000 . 3.300 2.534 2.534 2.534 . 0 0 "[ ]" 1 791 1 110 THR HB 1 111 ASN H 4.000 . 5.000 2.906 2.906 2.906 . 0 0 "[ ]" 1 792 1 110 THR MG 1 111 ASN HA 4.000 . 6.500 3.475 3.475 3.475 . 0 0 "[ ]" 1 793 1 111 ASN H 1 112 LEU H 4.000 . 5.000 2.507 2.507 2.507 . 0 0 "[ ]" 1 794 1 112 LEU HA 1 113 GLY H 3.000 . 3.300 3.431 3.431 3.431 0.131 1 0 "[ ]" 1 795 1 112 LEU H 1 113 GLY H 4.000 . 5.000 2.616 2.616 2.616 . 0 0 "[ ]" 1 796 1 112 LEU QB 1 113 GLY H 4.000 . 6.000 3.027 3.027 3.027 . 0 0 "[ ]" 1 797 1 113 GLY QA 1 114 GLU H 3.000 . 4.300 2.931 2.931 2.931 . 0 0 "[ ]" 1 798 1 113 GLY H 1 114 GLU H 3.000 . 3.300 2.036 2.036 2.036 . 0 0 "[ ]" 1 799 1 114 GLU QB 1 115 LYS H 3.000 . 4.300 2.378 2.378 2.378 . 0 0 "[ ]" 1 800 1 115 LYS H 1 116 LEU QD 4.000 . 7.400 4.067 4.067 4.067 . 0 0 "[ ]" 1 801 1 115 LYS HA 1 116 LEU H 2.500 . 2.700 2.169 2.169 2.169 . 0 0 "[ ]" 1 802 1 115 LYS QB 1 116 LEU H 4.000 . 6.000 3.563 3.563 3.563 . 0 0 "[ ]" 1 803 1 116 LEU QB 1 117 THR H 4.000 . 6.000 3.607 3.607 3.607 . 0 0 "[ ]" 1 804 1 117 THR HA 1 118 ASP H 3.000 . 3.300 2.636 2.636 2.636 . 0 0 "[ ]" 1 805 1 118 ASP HA 1 119 GLU H 3.000 . 3.300 3.425 3.425 3.425 0.125 1 0 "[ ]" 1 806 1 118 ASP H 1 119 GLU H 2.500 . 2.700 2.343 2.343 2.343 . 0 0 "[ ]" 1 807 1 118 ASP QB 1 119 GLU HA 4.000 . 6.000 3.863 3.863 3.863 . 0 0 "[ ]" 1 808 1 119 GLU H 1 120 GLU H 4.000 . 5.000 2.837 2.837 2.837 . 0 0 "[ ]" 1 809 1 119 GLU HA 1 120 GLU H 4.000 . 5.000 3.560 3.560 3.560 . 0 0 "[ ]" 1 810 1 120 GLU HA 1 121 VAL H 4.000 . 5.000 3.565 3.565 3.565 . 0 0 "[ ]" 1 811 1 120 GLU QG 1 121 VAL H 4.000 . 6.000 4.099 4.099 4.099 . 0 0 "[ ]" 1 812 1 120 GLU H 1 121 VAL H 4.000 . 5.000 3.292 3.292 3.292 . 0 0 "[ ]" 1 813 1 121 VAL HA 1 122 ASP H 4.000 . 5.000 3.568 3.568 3.568 . 0 0 "[ ]" 1 814 1 121 VAL QG 1 122 ASP H 3.000 . 5.700 2.856 2.856 2.856 . 0 0 "[ ]" 1 815 1 121 VAL H 1 122 ASP H 4.000 . 5.000 3.077 3.077 3.077 . 0 0 "[ ]" 1 816 1 121 VAL HB 1 122 ASP H 2.500 . 2.700 2.387 2.387 2.387 . 0 0 "[ ]" 1 817 1 122 ASP HA 1 123 GLU H 4.000 . 5.000 3.555 3.555 3.555 . 0 0 "[ ]" 1 818 1 122 ASP H 1 123 GLU H 3.000 . 3.300 2.989 2.989 2.989 . 0 0 "[ ]" 1 819 1 122 ASP QB 1 123 GLU H 3.000 . 4.300 2.312 2.312 2.312 . 0 0 "[ ]" 1 820 1 123 GLU H 1 124 MET H 3.000 . 3.300 2.587 2.587 2.587 . 0 0 "[ ]" 1 821 1 123 GLU HA 1 124 MET H 3.000 . 3.300 3.464 3.464 3.464 0.164 1 0 "[ ]" 1 822 1 124 MET HA 1 125 ILE H 4.000 . 5.000 3.557 3.557 3.557 . 0 0 "[ ]" 1 823 1 124 MET QB 1 125 ILE H 3.000 . 4.300 2.188 2.188 2.188 . 0 0 "[ ]" 1 824 1 124 MET H 1 125 ILE H 3.000 . 3.300 2.712 2.712 2.712 . 0 0 "[ ]" 1 825 1 125 ILE H 1 126 ARG H 4.000 . 5.000 2.820 2.820 2.820 . 0 0 "[ ]" 1 826 1 125 ILE HA 1 126 ARG H 4.000 . 5.000 3.549 3.549 3.549 . 0 0 "[ ]" 1 827 1 125 ILE HB 1 126 ARG H 4.000 . 5.000 2.430 2.430 2.430 . 0 0 "[ ]" 1 828 1 125 ILE MG 1 126 ARG H 4.000 . 6.500 3.492 3.492 3.492 . 0 0 "[ ]" 1 829 1 125 ILE MG 1 126 ARG HA 4.000 . 6.500 3.711 3.711 3.711 . 0 0 "[ ]" 1 830 1 126 ARG QB 1 127 GLU H 3.000 . 4.300 2.077 2.077 2.077 . 0 0 "[ ]" 1 831 1 126 ARG H 1 127 GLU H 3.000 . 3.300 3.156 3.156 3.156 . 0 0 "[ ]" 1 832 1 126 ARG HA 1 127 GLU H 4.000 . 5.000 3.546 3.546 3.546 . 0 0 "[ ]" 1 833 1 127 GLU H 1 128 ALA H 3.000 . 3.300 2.909 2.909 2.909 . 0 0 "[ ]" 1 834 1 127 GLU QG 1 128 ALA H 4.000 . 6.000 4.368 4.368 4.368 . 0 0 "[ ]" 1 835 1 127 GLU HA 1 128 ALA H 4.000 . 5.000 3.542 3.542 3.542 . 0 0 "[ ]" 1 836 1 127 GLU QB 1 128 ALA H 3.000 . 4.300 2.657 2.657 2.657 . 0 0 "[ ]" 1 837 1 127 GLU QB 1 128 ALA HA 4.000 . 6.000 3.757 3.757 3.757 . 0 0 "[ ]" 1 838 1 128 ALA HA 1 129 ASP H 4.000 . 5.000 3.493 3.493 3.493 . 0 0 "[ ]" 1 839 1 128 ALA H 1 129 ASP H 3.000 . 3.300 2.692 2.692 2.692 . 0 0 "[ ]" 1 840 1 128 ALA MB 1 129 ASP H 3.000 . 4.800 2.681 2.681 2.681 . 0 0 "[ ]" 1 841 1 129 ASP HA 1 130 ILE MG 4.000 . 6.500 5.439 5.439 5.439 . 0 0 "[ ]" 1 842 1 129 ASP QB 1 130 ILE MD 4.000 . 8.500 5.891 5.891 5.891 . 0 0 "[ ]" 1 843 1 129 ASP QB 1 130 ILE H 3.000 . 4.300 3.706 3.706 3.706 . 0 0 "[ ]" 1 844 1 129 ASP HA 1 130 ILE H 2.500 . 2.700 2.162 2.162 2.162 . 0 0 "[ ]" 1 845 1 130 ILE HA 1 131 ASP H 4.000 . 5.000 3.505 3.505 3.505 . 0 0 "[ ]" 1 846 1 130 ILE MG 1 131 ASP H 4.000 . 6.500 3.297 3.297 3.297 . 0 0 "[ ]" 1 847 1 130 ILE QG 1 131 ASP H 4.000 . 6.000 4.333 4.333 4.333 . 0 0 "[ ]" 1 848 1 130 ILE H 1 131 ASP H 3.000 . 3.300 2.208 2.208 2.208 . 0 0 "[ ]" 1 849 1 130 ILE HB 1 131 ASP H 4.000 . 5.000 2.890 2.890 2.890 . 0 0 "[ ]" 1 850 1 131 ASP H 1 132 GLY H 4.000 . 5.000 3.105 3.105 3.105 . 0 0 "[ ]" 1 851 1 132 GLY QA 1 133 ASP H 4.000 . 6.000 2.718 2.718 2.718 . 0 0 "[ ]" 1 852 1 132 GLY H 1 133 ASP H 4.000 . 5.000 1.918 1.918 1.918 . 0 0 "[ ]" 1 853 1 133 ASP H 1 134 GLY H 3.000 . 3.300 2.372 2.372 2.372 . 0 0 "[ ]" 1 854 1 134 GLY QA 1 135 GLN H 4.000 . 6.000 2.798 2.798 2.798 . 0 0 "[ ]" 1 855 1 134 GLY H 1 135 GLN H 4.000 . 5.000 2.636 2.636 2.636 . 0 0 "[ ]" 1 856 1 135 GLN HA 1 136 VAL QG 3.000 . 5.700 3.472 3.472 3.472 . 0 0 "[ ]" 1 857 1 135 GLN QB 1 136 VAL H 4.000 . 6.000 2.609 2.609 2.609 . 0 0 "[ ]" 1 858 1 135 GLN HA 1 136 VAL H 2.500 . 2.700 2.355 2.355 2.355 . 0 0 "[ ]" 1 859 1 136 VAL QG 1 137 ASN H 4.000 . 7.400 2.488 2.488 2.488 . 0 0 "[ ]" 1 860 1 136 VAL HA 1 137 ASN H 4.000 . 5.000 2.178 2.178 2.178 . 0 0 "[ ]" 1 861 1 137 ASN HA 1 138 TYR H 3.000 . 3.300 2.701 2.701 2.701 . 0 0 "[ ]" 1 862 1 137 ASN QB 1 138 TYR H 3.000 . 4.300 1.963 1.963 1.963 . 0 0 "[ ]" 1 863 1 138 TYR HA 1 139 GLU H 4.000 . 5.000 3.521 3.521 3.521 . 0 0 "[ ]" 1 864 1 138 TYR QD 1 139 GLU H 4.000 . 7.000 4.050 4.050 4.050 . 0 0 "[ ]" 1 865 1 138 TYR H 1 139 GLU H 4.000 . 5.000 2.547 2.547 2.547 . 0 0 "[ ]" 1 866 1 138 TYR QB 1 139 GLU H 3.000 . 4.300 2.585 2.585 2.585 . 0 0 "[ ]" 1 867 1 139 GLU H 1 140 GLU H 3.000 . 3.300 2.778 2.778 2.778 . 0 0 "[ ]" 1 868 1 139 GLU HA 1 140 GLU H 4.000 . 5.000 3.552 3.552 3.552 . 0 0 "[ ]" 1 869 1 139 GLU QB 1 140 GLU H 4.000 . 6.000 2.528 2.528 2.528 . 0 0 "[ ]" 1 870 1 140 GLU QB 1 141 PHE H 4.000 . 6.000 2.716 2.716 2.716 . 0 0 "[ ]" 1 871 1 140 GLU H 1 141 PHE H 3.000 . 3.300 2.582 2.582 2.582 . 0 0 "[ ]" 1 872 1 140 GLU HA 1 141 PHE H 3.000 . 3.300 3.470 3.470 3.470 0.170 1 0 "[ ]" 1 873 1 141 PHE QD 1 142 VAL H 4.000 . 7.000 3.320 3.320 3.320 . 0 0 "[ ]" 1 874 1 141 PHE HA 1 142 VAL H 4.000 . 5.000 3.515 3.515 3.515 . 0 0 "[ ]" 1 875 1 141 PHE QB 1 142 VAL H 3.000 . 4.300 2.625 2.625 2.625 . 0 0 "[ ]" 1 876 1 142 VAL H 1 143 THR MG 4.000 . 6.500 5.485 5.485 5.485 . 0 0 "[ ]" 1 877 1 141 PHE H 1 142 VAL H 3.000 . 3.300 2.555 2.555 2.555 . 0 0 "[ ]" 1 878 1 142 VAL HA 1 143 THR H 4.000 . 5.000 3.526 3.526 3.526 . 0 0 "[ ]" 1 879 1 142 VAL QG 1 143 THR H 4.000 . 7.400 2.649 2.649 2.649 . 0 0 "[ ]" 1 880 1 142 VAL H 1 143 THR H 2.500 . 2.700 2.442 2.442 2.442 . 0 0 "[ ]" 1 881 1 142 VAL HB 1 143 THR H 4.000 . 5.000 2.678 2.678 2.678 . 0 0 "[ ]" 1 882 1 143 THR H 1 144 MET H 2.500 . 2.700 2.710 2.710 2.710 0.010 1 0 "[ ]" 1 883 1 143 THR HB 1 144 MET H 4.000 . 5.000 3.203 3.203 3.203 . 0 0 "[ ]" 1 884 1 144 MET QB 1 145 MET H 3.000 . 4.300 2.537 2.537 2.537 . 0 0 "[ ]" 1 885 1 145 MET H 1 146 THR MG 4.000 . 6.500 4.588 4.588 4.588 . 0 0 "[ ]" 1 886 1 144 MET H 1 145 MET H 3.000 . 3.300 2.417 2.417 2.417 . 0 0 "[ ]" 1 887 1 144 MET QB 1 145 MET HA 4.000 . 6.000 4.099 4.099 4.099 . 0 0 "[ ]" 1 888 1 145 MET H 1 146 THR H 4.000 . 5.000 2.399 2.399 2.399 . 0 0 "[ ]" 1 889 1 145 MET QB 1 146 THR H 4.000 . 6.000 3.006 3.006 3.006 . 0 0 "[ ]" 1 890 1 145 MET QB 1 146 THR MG 4.000 . 7.500 4.988 4.988 4.988 . 0 0 "[ ]" 1 891 1 146 THR MG 1 147 SER H 4.000 . 6.500 3.553 3.553 3.553 . 0 0 "[ ]" 1 892 1 146 THR H 1 147 SER H 4.000 . 5.000 4.489 4.489 4.489 . 0 0 "[ ]" 1 893 1 146 THR HA 1 147 SER H 3.000 . 3.300 2.161 2.161 2.161 . 0 0 "[ ]" 1 894 1 146 THR HB 1 147 SER H 4.000 . 5.000 4.529 4.529 4.529 . 0 0 "[ ]" 1 895 1 147 SER HA 1 148 LYS H 3.000 . 3.300 2.307 2.307 2.307 . 0 0 "[ ]" 1 896 1 141 PHE HA 1 145 MET ME 3.000 . 4.800 2.863 2.863 2.863 . 0 0 "[ ]" 1 897 1 141 PHE QB 1 145 MET ME 3.000 . 5.800 3.838 3.838 3.838 . 0 0 "[ ]" 1 898 1 141 PHE QD 1 145 MET ME 4.000 . 8.500 2.666 2.666 2.666 . 0 0 "[ ]" 1 899 1 141 PHE HA 1 144 MET ME 4.000 . 6.500 3.537 3.537 3.537 . 0 0 "[ ]" 1 900 1 141 PHE QB 1 144 MET ME 4.000 . 7.500 4.935 4.935 4.935 . 0 0 "[ ]" 1 901 1 32 LEU QD 1 36 MET ME 2.500 . 6.600 2.090 2.090 2.090 . 0 0 "[ ]" 1 902 1 48 LEU QD 1 51 MET ME 4.000 . 7.200 3.162 3.162 3.162 . 0 0 "[ ]" 1 903 1 68 PHE QD 1 72 MET ME 2.500 . 6.200 4.088 4.088 4.088 . 0 0 "[ ]" 1 904 1 68 PHE QE 1 72 MET ME 2.500 . 6.200 2.270 2.270 2.270 . 0 0 "[ ]" 1 905 1 15 ALA MB 1 19 PHE QD 4.000 . 8.500 4.310 4.310 4.310 . 0 0 "[ ]" 1 906 1 15 ALA MB 1 19 PHE QE 4.000 . 8.500 5.936 5.936 5.936 . 0 0 "[ ]" 1 907 1 65 PHE QD 1 69 LEU QD 4.000 . 9.400 4.652 4.652 4.652 . 0 0 "[ ]" 1 908 1 88 ALA MB 1 92 PHE QD 4.000 . 8.500 4.052 4.052 4.052 . 0 0 "[ ]" 1 909 1 88 ALA MB 1 92 PHE QE 4.000 . 8.500 3.722 3.722 3.722 . 0 0 "[ ]" 1 910 1 138 TYR QD 1 141 PHE QE 4.000 . 9.000 6.105 6.105 6.105 . 0 0 "[ ]" 1 911 1 138 TYR QE 1 141 PHE QE 4.000 . 9.000 5.414 5.414 5.414 . 0 0 "[ ]" 1 912 1 2 ASP HA 1 4 LEU QB 4.000 . 6.000 4.227 4.227 4.227 . 0 0 "[ ]" 1 913 1 2 ASP HA 1 5 THR MG 3.000 . 4.800 2.184 2.184 2.184 . 0 0 "[ ]" 1 914 1 2 ASP HA 1 4 LEU QD 4.000 . 7.400 3.898 3.898 3.898 . 0 0 "[ ]" 1 915 1 3 GLN QG 1 5 THR H 4.000 . 6.000 5.186 5.186 5.186 . 0 0 "[ ]" 1 916 1 6 GLU HA 1 9 ILE HB 4.000 . 5.000 2.423 2.423 2.423 . 0 0 "[ ]" 1 917 1 6 GLU HA 1 9 ILE MG 3.000 . 4.800 3.779 3.779 3.779 . 0 0 "[ ]" 1 918 1 6 GLU HA 1 9 ILE QG 4.000 . 6.000 2.861 2.861 2.861 . 0 0 "[ ]" 1 919 1 7 GLU HA 1 10 ALA MB 3.000 . 4.800 2.713 2.713 2.713 . 0 0 "[ ]" 1 920 1 6 GLU HA 1 8 GLN H 4.000 . 5.000 4.386 4.386 4.386 . 0 0 "[ ]" 1 921 1 8 GLN H 1 10 ALA MB 4.000 . 6.500 4.696 4.696 4.696 . 0 0 "[ ]" 1 922 1 8 GLN HA 1 11 GLU QB 4.000 . 6.000 2.350 2.350 2.350 . 0 0 "[ ]" 1 923 1 6 GLU HA 1 9 ILE H 4.000 . 5.000 3.349 3.349 3.349 . 0 0 "[ ]" 1 924 1 9 ILE HA 1 12 PHE QB 4.000 . 6.000 3.419 3.419 3.419 . 0 0 "[ ]" 1 925 1 9 ILE MG 1 12 PHE QD 4.000 . 8.500 3.923 3.923 3.923 . 0 0 "[ ]" 1 926 1 9 ILE MG 1 12 PHE QE 4.000 . 8.500 5.275 5.275 5.275 . 0 0 "[ ]" 1 927 1 9 ILE MG 1 13 LYS QE 4.000 . 7.500 5.018 5.018 5.018 . 0 0 "[ ]" 1 928 1 6 GLU QB 1 9 ILE MD 4.000 . 7.500 3.512 3.512 3.512 . 0 0 "[ ]" 1 929 1 6 GLU QG 1 9 ILE MD 4.000 . 7.500 2.265 2.265 2.265 . 0 0 "[ ]" 1 930 1 7 GLU HA 1 10 ALA H 4.000 . 5.000 3.704 3.704 3.704 . 0 0 "[ ]" 1 931 1 10 ALA HA 1 13 LYS QB 2.500 . 3.700 2.438 2.438 2.438 . 0 0 "[ ]" 1 932 1 10 ALA HA 1 13 LYS QG 4.000 . 6.000 4.316 4.316 4.316 . 0 0 "[ ]" 1 933 1 10 ALA HA 1 13 LYS QD 4.000 . 6.000 3.018 3.018 3.018 . 0 0 "[ ]" 1 934 1 7 GLU QB 1 10 ALA MB 4.000 . 7.500 4.375 4.375 4.375 . 0 0 "[ ]" 1 935 1 7 GLU QG 1 10 ALA MB 4.000 . 7.500 4.161 4.161 4.161 . 0 0 "[ ]" 1 936 1 8 GLN HA 1 11 GLU H 3.000 . 3.300 3.186 3.186 3.186 . 0 0 "[ ]" 1 937 1 9 ILE HA 1 12 PHE H 4.000 . 5.000 3.791 3.791 3.791 . 0 0 "[ ]" 1 938 1 12 PHE HA 1 15 ALA MB 3.000 . 4.800 2.437 2.437 2.437 . 0 0 "[ ]" 1 939 1 10 ALA HA 1 13 LYS H 4.000 . 5.000 3.753 3.753 3.753 . 0 0 "[ ]" 1 940 1 13 LYS HA 1 16 PHE QE 4.000 . 7.000 6.155 6.155 6.155 . 0 0 "[ ]" 1 941 1 14 GLU HA 1 17 SER QB 3.000 . 4.300 2.396 2.396 2.396 . 0 0 "[ ]" 1 942 1 12 PHE HA 1 15 ALA H 4.000 . 5.000 3.382 3.382 3.382 . 0 0 "[ ]" 1 943 1 11 GLU HA 1 15 ALA H 4.000 . 5.000 4.502 4.502 4.502 . 0 0 "[ ]" 1 944 1 15 ALA HA 1 18 LEU QB 3.000 . 4.300 2.608 2.608 2.608 . 0 0 "[ ]" 1 945 1 15 ALA HA 1 18 LEU HG 4.000 . 6.000 4.864 4.864 4.864 . 0 0 "[ ]" 1 946 1 15 ALA HA 1 18 LEU QD 3.000 . 5.700 3.399 3.399 3.399 . 0 0 "[ ]" 1 947 1 15 ALA MB 1 18 LEU QD 4.000 . 8.900 4.304 4.304 4.304 . 0 0 "[ ]" 1 948 1 12 PHE HA 1 16 PHE H 4.000 . 5.000 4.427 4.427 4.427 . 0 0 "[ ]" 1 949 1 13 LYS HA 1 16 PHE H 4.000 . 5.000 3.410 3.410 3.410 . 0 0 "[ ]" 1 950 1 16 PHE HA 1 19 PHE QB 4.000 . 6.000 2.919 2.919 2.919 . 0 0 "[ ]" 1 951 1 13 LYS HA 1 16 PHE QB 4.000 . 6.000 2.672 2.672 2.672 . 0 0 "[ ]" 1 952 1 17 SER HA 1 20 ASP QB 4.000 . 6.000 3.260 3.260 3.260 . 0 0 "[ ]" 1 953 1 15 ALA HA 1 18 LEU H 4.000 . 5.000 3.451 3.451 3.451 . 0 0 "[ ]" 1 954 1 16 PHE HA 1 19 PHE H 4.000 . 5.000 3.357 3.357 3.357 . 0 0 "[ ]" 1 955 1 17 SER HA 1 20 ASP H 4.000 . 5.000 3.993 3.993 3.993 . 0 0 "[ ]" 1 956 1 24 ASP H 1 26 THR H 4.000 . 5.000 4.579 4.579 4.579 . 0 0 "[ ]" 1 957 1 27 ILE MG 1 32 LEU HA 4.000 . 6.500 4.161 4.161 4.161 . 0 0 "[ ]" 1 958 1 27 ILE MG 1 32 LEU QB 3.000 . 5.800 2.794 2.794 2.794 . 0 0 "[ ]" 1 959 1 29 THR HA 1 32 LEU QB 3.000 . 4.300 2.346 2.346 2.346 . 0 0 "[ ]" 1 960 1 29 THR HA 1 32 LEU HG 4.000 . 5.000 5.027 5.027 5.027 0.027 1 0 "[ ]" 1 961 1 29 THR HA 1 32 LEU QD 3.000 . 5.700 2.969 2.969 2.969 . 0 0 "[ ]" 1 962 1 29 THR MG 1 32 LEU QD 3.000 . 7.200 3.560 3.560 3.560 . 0 0 "[ ]" 1 963 1 29 THR MG 1 52 ILE MG 2.500 . 5.700 3.271 3.271 3.271 . 0 0 "[ ]" 1 964 1 28 THR HB 1 30 LYS H 4.000 . 5.000 2.556 2.556 2.556 . 0 0 "[ ]" 1 965 1 28 THR HA 1 30 LYS H 4.000 . 5.000 3.943 3.943 3.943 . 0 0 "[ ]" 1 966 1 30 LYS HA 1 32 LEU QD 4.000 . 8.400 5.982 5.982 5.982 . 0 0 "[ ]" 1 967 1 27 ILE MG 1 31 GLU H 4.000 . 6.500 5.290 5.290 5.290 . 0 0 "[ ]" 1 968 1 31 GLU HA 1 34 THR HB 4.000 . 5.000 4.372 4.372 4.372 . 0 0 "[ ]" 1 969 1 32 LEU HA 1 35 VAL HB 3.000 . 3.300 3.210 3.210 3.210 . 0 0 "[ ]" 1 970 1 32 LEU HA 1 35 VAL QG 4.000 . 7.400 3.737 3.737 3.737 . 0 0 "[ ]" 1 971 1 31 GLU HA 1 34 THR H 4.000 . 5.000 3.950 3.950 3.950 . 0 0 "[ ]" 1 972 1 34 THR HA 1 37 ARG QB 2.500 . 3.700 3.007 3.007 3.007 . 0 0 "[ ]" 1 973 1 34 THR HA 1 37 ARG QD 4.000 . 6.000 3.357 3.357 3.357 . 0 0 "[ ]" 1 974 1 30 LYS QB 1 34 THR MG 4.000 . 7.500 4.178 4.178 4.178 . 0 0 "[ ]" 1 975 1 30 LYS QD 1 34 THR MG 4.000 . 7.500 4.248 4.248 4.248 . 0 0 "[ ]" 1 976 1 32 LEU HA 1 35 VAL H 4.000 . 5.000 4.073 4.073 4.073 . 0 0 "[ ]" 1 977 1 35 VAL HA 1 38 SER QB 4.000 . 6.000 2.951 2.951 2.951 . 0 0 "[ ]" 1 978 1 35 VAL HA 1 39 LEU QD 4.000 . 7.400 4.071 4.071 4.071 . 0 0 "[ ]" 1 979 1 35 VAL QG 1 39 LEU QD 4.000 . 9.800 2.447 2.447 2.447 . 0 0 "[ ]" 1 980 1 32 LEU QD 1 36 MET H 4.000 . 7.400 4.245 4.245 4.245 . 0 0 "[ ]" 1 981 1 33 GLY QA 1 36 MET H 4.000 . 6.000 4.123 4.123 4.123 . 0 0 "[ ]" 1 982 1 36 MET HA 1 39 LEU QD 2.500 . 5.100 3.115 3.115 3.115 . 0 0 "[ ]" 1 983 1 36 MET HA 1 39 LEU QB 3.000 . 4.300 2.484 2.484 2.484 . 0 0 "[ ]" 1 984 1 36 MET ME 1 39 LEU QD 4.000 . 8.900 4.312 4.312 4.312 . 0 0 "[ ]" 1 985 1 34 THR HA 1 37 ARG H 4.000 . 5.000 4.141 4.141 4.141 . 0 0 "[ ]" 1 986 1 35 VAL HA 1 38 SER H 4.000 . 5.000 3.299 3.299 3.299 . 0 0 "[ ]" 1 987 1 36 MET HA 1 39 LEU H 4.000 . 5.000 3.857 3.857 3.857 . 0 0 "[ ]" 1 988 1 37 ARG HA 1 41 GLN H 2.500 . 2.700 2.765 2.765 2.765 0.065 1 0 "[ ]" 1 989 1 41 GLN QB 1 43 PRO QD 4.000 . 7.000 3.803 3.803 3.803 . 0 0 "[ ]" 1 990 1 44 THR H 1 47 GLU QG 4.000 . 6.000 3.931 3.931 3.931 . 0 0 "[ ]" 1 991 1 44 THR HA 1 47 GLU QB 4.000 . 6.000 5.054 5.054 5.054 . 0 0 "[ ]" 1 992 1 44 THR HB 1 47 GLU QG 4.000 . 6.000 3.632 3.632 3.632 . 0 0 "[ ]" 1 993 1 45 GLU H 1 48 LEU QD 4.000 . 7.400 4.501 4.501 4.501 . 0 0 "[ ]" 1 994 1 45 GLU HA 1 48 LEU QB 3.000 . 4.300 2.583 2.583 2.583 . 0 0 "[ ]" 1 995 1 44 THR MG 1 46 ALA H 3.000 . 5.300 4.427 4.427 4.427 . 0 0 "[ ]" 1 996 1 46 ALA HA 1 49 GLN QB 4.000 . 6.000 2.896 2.896 2.896 . 0 0 "[ ]" 1 997 1 46 ALA MB 1 48 LEU QD 4.000 . 8.900 5.283 5.283 5.283 . 0 0 "[ ]" 1 998 1 47 GLU HA 1 50 ASP QB 3.000 . 4.300 2.698 2.698 2.698 . 0 0 "[ ]" 1 999 1 45 GLU HA 1 48 LEU H 3.000 . 3.300 3.265 3.265 3.265 . 0 0 "[ ]" 1 1000 1 48 LEU HA 1 51 MET QB 3.000 . 4.300 2.636 2.636 2.636 . 0 0 "[ ]" 1 1001 1 48 LEU QD 1 51 MET QB 4.000 . 8.400 4.173 4.173 4.173 . 0 0 "[ ]" 1 1002 1 46 ALA HA 1 49 GLN H 4.000 . 5.000 3.601 3.601 3.601 . 0 0 "[ ]" 1 1003 1 49 GLN HA 1 52 ILE HB 2.500 . 2.700 2.705 2.705 2.705 0.005 1 0 "[ ]" 1 1004 1 49 GLN HA 1 52 ILE MD 3.000 . 4.800 3.305 3.305 3.305 . 0 0 "[ ]" 1 1005 1 49 GLN HA 1 52 ILE MG 3.000 . 4.800 3.282 3.282 3.282 . 0 0 "[ ]" 1 1006 1 47 GLU HA 1 50 ASP H 4.000 . 5.000 3.526 3.526 3.526 . 0 0 "[ ]" 1 1007 1 50 ASP HA 1 53 ASN QB 2.500 . 3.700 2.718 2.718 2.718 . 0 0 "[ ]" 1 1008 1 51 MET HA 1 54 GLU QB 4.000 . 6.000 2.747 2.747 2.747 . 0 0 "[ ]" 1 1009 1 51 MET HA 1 55 VAL QG 4.000 . 7.400 5.639 5.639 5.639 . 0 0 "[ ]" 1 1010 1 49 GLN HA 1 52 ILE H 4.000 . 5.000 3.417 3.417 3.417 . 0 0 "[ ]" 1 1011 1 52 ILE HA 1 55 VAL QG 2.500 . 5.100 3.339 3.339 3.339 . 0 0 "[ ]" 1 1012 1 52 ILE MG 1 56 ASP QB 4.000 . 7.500 2.649 2.649 2.649 . 0 0 "[ ]" 1 1013 1 51 MET HA 1 53 ASN H 4.000 . 5.000 4.264 4.264 4.264 . 0 0 "[ ]" 1 1014 1 49 GLN HA 1 53 ASN H 4.000 . 5.000 4.369 4.369 4.369 . 0 0 "[ ]" 1 1015 1 53 ASN HA 1 56 ASP QB 3.000 . 4.300 2.435 2.435 2.435 . 0 0 "[ ]" 1 1016 1 54 GLU HA 1 56 ASP H 4.000 . 5.000 4.900 4.900 4.900 . 0 0 "[ ]" 1 1017 1 53 ASN HA 1 56 ASP H 3.000 . 3.300 3.081 3.081 3.081 . 0 0 "[ ]" 1 1018 1 52 ILE MG 1 56 ASP H 4.000 . 6.500 3.826 3.826 3.826 . 0 0 "[ ]" 1 1019 1 60 ASN H 1 62 THR H 4.000 . 5.000 3.989 3.989 3.989 . 0 0 "[ ]" 1 1020 1 59 GLY QA 1 62 THR H 4.000 . 6.000 5.172 5.172 5.172 . 0 0 "[ ]" 1 1021 1 63 ILE MG 1 68 PHE HA 4.000 . 6.500 2.799 2.799 2.799 . 0 0 "[ ]" 1 1022 1 63 ILE MG 1 68 PHE QB 4.000 . 7.500 2.910 2.910 2.910 . 0 0 "[ ]" 1 1023 1 63 ILE MG 1 67 GLU QB 4.000 . 7.500 1.906 1.906 1.906 . 0 0 "[ ]" 1 1024 1 64 ASP H 1 67 GLU QB 4.000 . 6.000 2.149 2.149 2.149 . 0 0 "[ ]" 1 1025 1 65 PHE HA 1 69 LEU QD 4.000 . 7.400 4.414 4.414 4.414 . 0 0 "[ ]" 1 1026 1 67 GLU HA 1 70 THR HB 4.000 . 5.000 2.332 2.332 2.332 . 0 0 "[ ]" 1 1027 1 67 GLU HA 1 70 THR MG 3.000 . 4.800 3.620 3.620 3.620 . 0 0 "[ ]" 1 1028 1 63 ILE MG 1 68 PHE H 4.000 . 6.500 2.777 2.777 2.777 . 0 0 "[ ]" 1 1029 1 63 ILE HB 1 68 PHE H 4.000 . 5.000 4.846 4.846 4.846 . 0 0 "[ ]" 1 1030 1 68 PHE HA 1 71 MET QB 3.000 . 4.300 2.578 2.578 2.578 . 0 0 "[ ]" 1 1031 1 68 PHE HA 1 70 THR MG 4.000 . 7.500 5.992 5.992 5.992 . 0 0 "[ ]" 1 1032 1 65 PHE HA 1 69 LEU H 4.000 . 5.000 3.746 3.746 3.746 . 0 0 "[ ]" 1 1033 1 67 GLU HA 1 70 THR H 4.000 . 5.000 3.565 3.565 3.565 . 0 0 "[ ]" 1 1034 1 70 THR MG 1 74 ARG QD 4.000 . 7.500 3.781 3.781 3.781 . 0 0 "[ ]" 1 1035 1 68 PHE HA 1 71 MET H 4.000 . 5.000 3.150 3.150 3.150 . 0 0 "[ ]" 1 1036 1 71 MET HA 1 74 ARG QD 4.000 . 6.000 4.487 4.487 4.487 . 0 0 "[ ]" 1 1037 1 71 MET HA 1 74 ARG QB 4.000 . 6.000 3.131 3.131 3.131 . 0 0 "[ ]" 1 1038 1 69 LEU HA 1 72 MET H 3.500 . 4.000 3.584 3.584 3.584 . 0 0 "[ ]" 1 1039 1 68 PHE HZ 1 72 MET ME 4.000 . 6.500 2.573 2.573 2.573 . 0 0 "[ ]" 1 1040 1 70 THR HA 1 73 ALA H 4.000 . 5.000 3.366 3.366 3.366 . 0 0 "[ ]" 1 1041 1 69 LEU HA 1 73 ALA H 4.000 . 5.000 3.786 3.786 3.786 . 0 0 "[ ]" 1 1042 1 70 THR HA 1 73 ALA MB 4.000 . 6.500 2.675 2.675 2.675 . 0 0 "[ ]" 1 1043 1 82 GLU HA 1 85 ILE MG 4.000 . 6.500 4.633 4.633 4.633 . 0 0 "[ ]" 1 1044 1 82 GLU HA 1 85 ILE MD 4.000 . 6.500 2.163 2.163 2.163 . 0 0 "[ ]" 1 1045 1 83 GLU HA 1 86 ARG QG 4.000 . 6.000 4.296 4.296 4.296 . 0 0 "[ ]" 1 1046 1 83 GLU HA 1 86 ARG QD 4.000 . 6.000 2.876 2.876 2.876 . 0 0 "[ ]" 1 1047 1 83 GLU QG 1 86 ARG QD 4.000 . 7.000 3.459 3.459 3.459 . 0 0 "[ ]" 1 1048 1 85 ILE HA 1 88 ALA MB 2.500 . 4.200 2.582 2.582 2.582 . 0 0 "[ ]" 1 1049 1 85 ILE MG 1 89 PHE QD 3.000 . 6.800 4.249 4.249 4.249 . 0 0 "[ ]" 1 1050 1 85 ILE MG 1 89 PHE QE 4.000 . 8.500 5.700 5.700 5.700 . 0 0 "[ ]" 1 1051 1 83 GLU HA 1 86 ARG QB 3.000 . 4.300 2.407 2.407 2.407 . 0 0 "[ ]" 1 1052 1 86 ARG HA 1 89 PHE QB 3.000 . 4.300 2.823 2.823 2.823 . 0 0 "[ ]" 1 1053 1 84 GLU HA 1 87 GLU H 4.000 . 5.000 3.775 3.775 3.775 . 0 0 "[ ]" 1 1054 1 87 GLU HA 1 90 ARG QB 3.000 . 4.300 2.759 2.759 2.759 . 0 0 "[ ]" 1 1055 1 87 GLU HA 1 90 ARG QD 4.000 . 6.000 3.767 3.767 3.767 . 0 0 "[ ]" 1 1056 1 85 ILE HA 1 88 ALA H 4.000 . 5.000 3.547 3.547 3.547 . 0 0 "[ ]" 1 1057 1 88 ALA HA 1 91 VAL HB 4.000 . 5.000 3.303 3.303 3.303 . 0 0 "[ ]" 1 1058 1 88 ALA HA 1 91 VAL QG 3.000 . 5.700 2.431 2.431 2.431 . 0 0 "[ ]" 1 1059 1 88 ALA MB 1 91 VAL QG 4.000 . 8.900 3.779 3.779 3.779 . 0 0 "[ ]" 1 1060 1 85 ILE MD 1 88 ALA MB 4.000 . 8.000 5.092 5.092 5.092 . 0 0 "[ ]" 1 1061 1 86 ARG HA 1 89 PHE H 3.500 . 4.000 3.553 3.553 3.553 . 0 0 "[ ]" 1 1062 1 89 PHE HA 1 92 PHE QD 3.500 . 6.000 3.604 3.604 3.604 . 0 0 "[ ]" 1 1063 1 89 PHE HA 1 92 PHE QB 4.000 . 6.000 2.685 2.685 2.685 . 0 0 "[ ]" 1 1064 1 87 GLU HA 1 90 ARG H 3.000 . 3.300 3.421 3.421 3.421 0.121 1 0 "[ ]" 1 1065 1 90 ARG HA 1 93 ASP QB 3.000 . 4.300 2.894 2.894 2.894 . 0 0 "[ ]" 1 1066 1 88 ALA HA 1 91 VAL H 3.500 . 4.000 3.711 3.711 3.711 . 0 0 "[ ]" 1 1067 1 87 GLU QG 1 91 VAL QG 4.000 . 8.400 3.226 3.226 3.226 . 0 0 "[ ]" 1 1068 1 90 ARG HA 1 93 ASP H 4.000 . 5.000 3.585 3.585 3.585 . 0 0 "[ ]" 1 1069 1 97 ASN H 1 99 PHE H 4.000 . 5.000 4.442 4.442 4.442 . 0 0 "[ ]" 1 1070 1 100 ILE MG 1 105 LEU HA 4.000 . 6.500 3.578 3.578 3.578 . 0 0 "[ ]" 1 1071 1 100 ILE MG 1 104 GLU QB 4.000 . 7.500 2.946 2.946 2.946 . 0 0 "[ ]" 1 1072 1 100 ILE MG 1 105 LEU QB 4.000 . 7.500 2.178 2.178 2.178 . 0 0 "[ ]" 1 1073 1 101 SER H 1 104 GLU QB 4.000 . 6.000 2.061 2.061 2.061 . 0 0 "[ ]" 1 1074 1 102 ALA HA 1 105 LEU QB 4.000 . 6.000 3.761 3.761 3.761 . 0 0 "[ ]" 1 1075 1 102 ALA HA 1 105 LEU QD 4.000 . 7.400 4.492 4.492 4.492 . 0 0 "[ ]" 1 1076 1 101 SER QB 1 103 ALA H 4.000 . 6.000 2.755 2.755 2.755 . 0 0 "[ ]" 1 1077 1 103 ALA HA 1 106 ARG QB 2.500 . 3.700 2.601 2.601 2.601 . 0 0 "[ ]" 1 1078 1 100 ILE MG 1 104 GLU H 4.000 . 7.500 4.863 4.863 4.863 . 0 0 "[ ]" 1 1079 1 104 GLU HA 1 107 HIS QB 4.000 . 6.000 3.203 3.203 3.203 . 0 0 "[ ]" 1 1080 1 102 ALA HA 1 105 LEU H 4.000 . 5.000 4.513 4.513 4.513 . 0 0 "[ ]" 1 1081 1 105 LEU HA 1 108 VAL HB 4.000 . 5.500 2.458 2.458 2.458 . 0 0 "[ ]" 1 1082 1 105 LEU QD 1 108 VAL QG 4.000 . 9.800 3.062 3.062 3.062 . 0 0 "[ ]" 1 1083 1 105 LEU QD 1 109 MET ME 3.000 . 7.200 2.323 2.323 2.323 . 0 0 "[ ]" 1 1084 1 103 ALA HA 1 106 ARG H 4.000 . 5.000 3.923 3.923 3.923 . 0 0 "[ ]" 1 1085 1 106 ARG HA 1 109 MET QB 3.000 . 4.300 2.902 2.902 2.902 . 0 0 "[ ]" 1 1086 1 106 ARG QG 1 110 THR MG 4.000 . 7.500 4.058 4.058 4.058 . 0 0 "[ ]" 1 1087 1 104 GLU HA 1 107 HIS H 4.000 . 5.000 3.875 3.875 3.875 . 0 0 "[ ]" 1 1088 1 107 HIS HA 1 110 THR HB 4.000 . 5.000 2.815 2.815 2.815 . 0 0 "[ ]" 1 1089 1 107 HIS HA 1 110 THR MG 4.000 . 6.500 4.102 4.102 4.102 . 0 0 "[ ]" 1 1090 1 105 LEU HA 1 108 VAL H 4.000 . 5.000 3.077 3.077 3.077 . 0 0 "[ ]" 1 1091 1 106 ARG H 1 109 MET H 4.000 . 5.000 4.641 4.641 4.641 . 0 0 "[ ]" 1 1092 1 109 MET HA 1 112 LEU QB 4.000 . 6.000 2.836 2.836 2.836 . 0 0 "[ ]" 1 1093 1 116 LEU QD 1 121 VAL HA 4.000 . 7.400 4.730 4.730 4.730 . 0 0 "[ ]" 1 1094 1 117 THR H 1 120 GLU QG 4.000 . 6.000 5.005 5.005 5.005 . 0 0 "[ ]" 1 1095 1 118 ASP HA 1 121 VAL HB 3.000 . 3.300 3.283 3.283 3.283 . 0 0 "[ ]" 1 1096 1 118 ASP HA 1 121 VAL QG 3.000 . 5.700 3.751 3.751 3.751 . 0 0 "[ ]" 1 1097 1 119 GLU HA 1 122 ASP QB 2.500 . 3.700 2.627 2.627 2.627 . 0 0 "[ ]" 1 1098 1 120 GLU HA 1 123 GLU QB 3.000 . 4.300 2.995 2.995 2.995 . 0 0 "[ ]" 1 1099 1 116 LEU QB 1 121 VAL H 4.000 . 6.000 3.613 3.613 3.613 . 0 0 "[ ]" 1 1100 1 116 LEU QD 1 121 VAL H 4.000 . 8.400 4.197 4.197 4.197 . 0 0 "[ ]" 1 1101 1 119 GLU QB 1 121 VAL H 4.000 . 6.000 5.016 5.016 5.016 . 0 0 "[ ]" 1 1102 1 121 VAL HA 1 124 MET QB 3.000 . 4.300 2.327 2.327 2.327 . 0 0 "[ ]" 1 1103 1 121 VAL QG 1 125 ILE MD 4.000 . 9.900 2.160 2.160 2.160 . 0 0 "[ ]" 1 1104 1 121 VAL QG 1 124 MET QG 4.000 . 8.400 3.778 3.778 3.778 . 0 0 "[ ]" 1 1105 1 119 GLU HA 1 122 ASP H 4.000 . 5.000 3.808 3.808 3.808 . 0 0 "[ ]" 1 1106 1 122 ASP HA 1 125 ILE HB 3.000 . 3.300 3.169 3.169 3.169 . 0 0 "[ ]" 1 1107 1 122 ASP HA 1 125 ILE MG 4.000 . 6.500 4.511 4.511 4.511 . 0 0 "[ ]" 1 1108 1 122 ASP HA 1 125 ILE QG 4.000 . 6.000 3.415 3.415 3.415 . 0 0 "[ ]" 1 1109 1 123 GLU HA 1 126 ARG QB 4.000 . 6.000 2.403 2.403 2.403 . 0 0 "[ ]" 1 1110 1 121 VAL HA 1 124 MET H 4.000 . 5.000 3.178 3.178 3.178 . 0 0 "[ ]" 1 1111 1 124 MET HA 1 127 GLU QB 4.000 . 6.000 3.270 3.270 3.270 . 0 0 "[ ]" 1 1112 1 122 ASP HA 1 125 ILE H 3.000 . 3.800 3.795 3.795 3.795 . 0 0 "[ ]" 1 1113 1 125 ILE HA 1 128 ALA MB 4.000 . 6.500 2.543 2.543 2.543 . 0 0 "[ ]" 1 1114 1 122 ASP HA 1 125 ILE MD 4.000 . 6.500 3.496 3.496 3.496 . 0 0 "[ ]" 1 1115 1 125 ILE MG 1 129 ASP QB 4.000 . 7.500 3.489 3.489 3.489 . 0 0 "[ ]" 1 1116 1 123 GLU QB 1 126 ARG H 4.000 . 6.000 5.133 5.133 5.133 . 0 0 "[ ]" 1 1117 1 126 ARG HA 1 129 ASP QB 4.000 . 6.000 3.087 3.087 3.087 . 0 0 "[ ]" 1 1118 1 125 ILE HA 1 128 ALA H 4.000 . 5.000 3.584 3.584 3.584 . 0 0 "[ ]" 1 1119 1 126 ARG HA 1 129 ASP H 4.000 . 5.000 3.553 3.553 3.553 . 0 0 "[ ]" 1 1120 1 125 ILE MG 1 129 ASP H 4.000 . 6.500 4.193 4.193 4.193 . 0 0 "[ ]" 1 1121 1 136 VAL HA 1 140 GLU QB 4.000 . 6.000 3.368 3.368 3.368 . 0 0 "[ ]" 1 1122 1 136 VAL QG 1 141 PHE HA 4.000 . 7.400 3.213 3.213 3.213 . 0 0 "[ ]" 1 1123 1 136 VAL QG 1 141 PHE QB 4.000 . 8.400 2.536 2.536 2.536 . 0 0 "[ ]" 1 1124 1 136 VAL QG 1 140 GLU QB 4.000 . 8.400 2.397 2.397 2.397 . 0 0 "[ ]" 1 1125 1 138 TYR HA 1 141 PHE QB 3.000 . 4.300 2.361 2.361 2.361 . 0 0 "[ ]" 1 1126 1 138 TYR QD 1 142 VAL QG 4.000 . 10.400 2.775 2.775 2.775 . 0 0 "[ ]" 1 1127 1 138 TYR QE 1 142 VAL QG 4.000 . 9.400 2.259 2.259 2.259 . 0 0 "[ ]" 1 1128 1 139 GLU HA 1 142 VAL HB 4.000 . 5.500 2.967 2.967 2.967 . 0 0 "[ ]" 1 1129 1 139 GLU HA 1 142 VAL QG 4.000 . 7.400 3.609 3.609 3.609 . 0 0 "[ ]" 1 1130 1 140 GLU HA 1 143 THR HB 4.000 . 5.000 2.473 2.473 2.473 . 0 0 "[ ]" 1 1131 1 136 VAL QG 1 141 PHE H 4.000 . 7.400 3.314 3.314 3.314 . 0 0 "[ ]" 1 1132 1 138 TYR HA 1 141 PHE H 4.000 . 5.000 3.414 3.414 3.414 . 0 0 "[ ]" 1 1133 1 141 PHE HA 1 144 MET QB 3.000 . 4.300 3.172 3.172 3.172 . 0 0 "[ ]" 1 1134 1 139 GLU HA 1 142 VAL H 4.000 . 5.000 3.556 3.556 3.556 . 0 0 "[ ]" 1 1135 1 142 VAL HA 1 145 MET QB 4.000 . 6.000 3.257 3.257 3.257 . 0 0 "[ ]" 1 1136 1 142 VAL QG 1 146 THR MG 3.000 . 7.200 2.559 2.559 2.559 . 0 0 "[ ]" 1 1137 1 142 VAL QG 1 146 THR HB 3.000 . 5.700 2.338 2.338 2.338 . 0 0 "[ ]" 1 1138 1 142 VAL HA 1 146 THR MG 4.000 . 6.500 4.444 4.444 4.444 . 0 0 "[ ]" 1 1139 1 143 THR HA 1 146 THR HB 4.000 . 5.000 4.157 4.157 4.157 . 0 0 "[ ]" 1 1140 1 144 MET QB 1 146 THR H 4.000 . 6.000 4.538 4.538 4.538 . 0 0 "[ ]" 1 1141 1 146 THR HA 1 148 LYS H 4.000 . 5.000 5.073 5.073 5.073 0.073 1 0 "[ ]" 1 1142 1 39 LEU QD 1 91 VAL QG 4.000 . 9.800 1.998 1.998 1.998 . 0 0 "[ ]" 1 1143 1 39 LEU QD 1 91 VAL HA 4.000 . 7.400 4.512 4.512 4.512 . 0 0 "[ ]" 1 1144 1 21 LYS QE 1 112 LEU QD 4.000 . 8.400 4.577 4.577 4.577 . 0 0 "[ ]" 1 1145 1 35 VAL QG 1 112 LEU QD 4.000 . 9.800 3.709 3.709 3.709 . 0 0 "[ ]" 1 1146 1 92 PHE HZ 1 109 MET ME 3.500 . 6.500 4.780 4.780 4.780 . 0 0 "[ ]" 1 1147 1 92 PHE QE 1 109 MET ME 4.000 . 8.500 3.605 3.605 3.605 . 0 0 "[ ]" 1 1148 1 128 ALA MB 1 144 MET ME 2.500 . 5.700 2.281 2.281 2.281 . 0 0 "[ ]" 1 1149 1 128 ALA HA 1 144 MET ME 2.500 . 4.200 2.976 2.976 2.976 . 0 0 "[ ]" 1 1150 1 19 PHE HZ 1 36 MET ME 4.000 . 6.500 4.830 4.830 4.830 . 0 0 "[ ]" 1 1151 1 32 LEU QD 1 51 MET ME 2.500 . 6.600 3.069 3.069 3.069 . 0 0 "[ ]" 1 1152 1 9 ILE MG 1 65 PHE QD 4.000 . 8.500 4.917 4.917 4.917 . 0 0 "[ ]" 1 1153 1 15 ALA MB 1 68 PHE QE 4.000 . 6.800 2.883 2.883 2.883 . 0 0 "[ ]" 1 1154 1 27 ILE MD 1 68 PHE QE 4.000 . 8.500 5.418 5.418 5.418 . 0 0 "[ ]" 1 1155 1 88 ALA MB 1 141 PHE QE 4.000 . 8.500 4.489 4.489 4.489 . 0 0 "[ ]" 1 1156 1 89 PHE QD 1 142 VAL QG 4.000 . 9.400 4.780 4.780 4.780 . 0 0 "[ ]" 1 1157 1 85 ILE MG 1 138 TYR QE 3.000 . 6.800 4.496 4.496 4.496 . 0 0 "[ ]" 1 1158 1 85 ILE MG 1 138 TYR QD 4.000 . 8.500 5.802 5.802 5.802 . 0 0 "[ ]" 1 1159 1 86 ARG QG 1 138 TYR QE 4.000 . 8.000 3.113 3.113 3.113 . 0 0 "[ ]" 1 1160 1 86 ARG QB 1 138 TYR QE 4.000 . 8.000 4.907 4.907 4.907 . 0 0 "[ ]" 1 1161 1 89 PHE QD 1 138 TYR QD 4.000 . 9.000 3.201 3.201 3.201 . 0 0 "[ ]" 1 1162 1 89 PHE QD 1 138 TYR QE 4.000 . 9.000 2.341 2.341 2.341 . 0 0 "[ ]" 1 1163 1 85 ILE MG 1 141 PHE QD 4.000 . 8.500 3.728 3.728 3.728 . 0 0 "[ ]" 1 1164 1 85 ILE MG 1 141 PHE QE 4.000 . 8.500 2.244 2.244 2.244 . 0 0 "[ ]" 1 1165 1 9 ILE HA 1 69 LEU QD 4.000 . 7.400 3.436 3.436 3.436 . 0 0 "[ ]" 1 1166 1 9 ILE MG 1 69 LEU QD 3.000 . 7.200 3.229 3.229 3.229 . 0 0 "[ ]" 1 1167 1 12 PHE H 1 69 LEU QD 4.000 . 7.400 4.917 4.917 4.917 . 0 0 "[ ]" 1 1168 1 15 ALA MB 1 68 PHE QD 3.000 . 6.800 4.605 4.605 4.605 . 0 0 "[ ]" 1 1169 1 16 PHE HA 1 27 ILE MD 4.000 . 6.500 4.794 4.794 4.794 . 0 0 "[ ]" 1 1170 1 18 LEU HG 1 35 VAL QG 4.000 . 7.400 5.414 5.414 5.414 . 0 0 "[ ]" 1 1171 1 19 PHE HA 1 35 VAL QG 4.000 . 7.400 3.633 3.633 3.633 . 0 0 "[ ]" 1 1172 1 19 PHE QB 1 27 ILE MG 4.000 . 7.500 5.436 5.436 5.436 . 0 0 "[ ]" 1 1173 1 19 PHE HA 1 27 ILE MD 4.000 . 6.500 4.854 4.854 4.854 . 0 0 "[ ]" 1 1174 1 19 PHE QB 1 27 ILE MD 3.000 . 5.800 2.860 2.860 2.860 . 0 0 "[ ]" 1 1175 1 20 ASP HA 1 27 ILE MD 4.000 . 6.500 5.208 5.208 5.208 . 0 0 "[ ]" 1 1176 1 21 LYS H 1 31 GLU QB 4.000 . 6.000 4.203 4.203 4.203 . 0 0 "[ ]" 1 1177 1 21 LYS QD 1 35 VAL QG 4.000 . 8.400 3.310 3.310 3.310 . 0 0 "[ ]" 1 1178 1 26 THR HA 1 64 ASP HA 3.000 . 3.300 3.424 3.424 3.424 0.124 1 0 "[ ]" 1 1179 1 26 THR MG 1 62 THR HB 4.000 . 6.500 3.687 3.687 3.687 . 0 0 "[ ]" 1 1180 1 26 THR HB 1 62 THR HB 2.500 . 2.700 2.386 2.386 2.386 . 0 0 "[ ]" 1 1181 1 26 THR HB 1 62 THR MG 4.000 . 6.500 3.821 3.821 3.821 . 0 0 "[ ]" 1 1182 1 16 PHE QE 1 27 ILE MD 4.000 . 8.500 4.105 4.105 4.105 . 0 0 "[ ]" 1 1183 1 27 ILE MD 1 63 ILE MD 3.000 . 6.300 4.270 4.270 4.270 . 0 0 "[ ]" 1 1184 1 28 THR HA 1 62 THR HB 3.000 . 3.800 3.852 3.852 3.852 0.052 1 0 "[ ]" 1 1185 1 28 THR HA 1 62 THR MG 2.500 . 4.200 3.386 3.386 3.386 . 0 0 "[ ]" 1 1186 1 28 THR HA 1 62 THR HA 3.000 . 3.800 3.292 3.292 3.292 . 0 0 "[ ]" 1 1187 1 28 THR HA 1 52 ILE MD 3.000 . 4.800 2.813 2.813 2.813 . 0 0 "[ ]" 1 1188 1 28 THR MG 1 62 THR MG 3.000 . 6.300 2.082 2.082 2.082 . 0 0 "[ ]" 1 1189 1 28 THR MG 1 62 THR HB 4.000 . 6.500 3.606 3.606 3.606 . 0 0 "[ ]" 1 1190 1 28 THR HB 1 62 THR MG 4.000 . 6.500 3.965 3.965 3.965 . 0 0 "[ ]" 1 1191 1 29 THR HA 1 52 ILE MD 3.000 . 4.800 2.909 2.909 2.909 . 0 0 "[ ]" 1 1192 1 29 THR MG 1 48 LEU QB 3.000 . 5.800 2.300 2.300 2.300 . 0 0 "[ ]" 1 1193 1 29 THR MG 1 49 GLN QB 4.000 . 7.500 2.802 2.802 2.802 . 0 0 "[ ]" 1 1194 1 29 THR MG 1 49 GLN QG 4.000 . 7.500 3.146 3.146 3.146 . 0 0 "[ ]" 1 1195 1 29 THR MG 1 52 ILE MD 2.500 . 5.700 1.917 1.917 1.917 . 0 0 "[ ]" 1 1196 1 19 PHE QD 1 32 LEU QD 4.000 . 9.400 5.167 5.167 5.167 . 0 0 "[ ]" 1 1197 1 19 PHE QE 1 32 LEU QD 4.000 . 9.400 3.823 3.823 3.823 . 0 0 "[ ]" 1 1198 1 19 PHE HZ 1 32 LEU QD 4.000 . 7.400 3.658 3.658 3.658 . 0 0 "[ ]" 1 1199 1 19 PHE QD 1 35 VAL QG 3.000 . 7.700 3.023 3.023 3.023 . 0 0 "[ ]" 1 1200 1 36 MET QG 1 48 LEU QD 4.000 . 8.400 4.364 4.364 4.364 . 0 0 "[ ]" 1 1201 1 37 ARG QB 1 48 LEU QD 4.000 . 8.400 4.891 4.891 4.891 . 0 0 "[ ]" 1 1202 1 29 THR MG 1 48 LEU H 4.000 . 6.500 4.771 4.771 4.771 . 0 0 "[ ]" 1 1203 1 29 THR MG 1 49 GLN HA 3.000 . 4.800 2.377 2.377 2.377 . 0 0 "[ ]" 1 1204 1 52 ILE MD 1 63 ILE QG 4.000 . 7.500 4.299 4.299 4.299 . 0 0 "[ ]" 1 1205 1 52 ILE MD 1 63 ILE MD 4.000 . 9.000 4.154 4.154 4.154 . 0 0 "[ ]" 1 1206 1 52 ILE MD 1 62 THR HA 4.000 . 6.500 4.064 4.064 4.064 . 0 0 "[ ]" 1 1207 1 55 VAL QG 1 63 ILE MG 4.000 . 8.900 3.691 3.691 3.691 . 0 0 "[ ]" 1 1208 1 55 VAL QG 1 63 ILE QG 4.000 . 8.400 3.836 3.836 3.836 . 0 0 "[ ]" 1 1209 1 56 ASP HA 1 63 ILE MD 4.000 . 6.500 4.849 4.849 4.849 . 0 0 "[ ]" 1 1210 1 28 THR MG 1 62 THR HA 4.000 . 7.500 3.579 3.579 3.579 . 0 0 "[ ]" 1 1211 1 27 ILE H 1 63 ILE H 4.000 . 5.000 3.132 3.132 3.132 . 0 0 "[ ]" 1 1212 1 27 ILE HB 1 63 ILE MG 4.000 . 6.500 3.799 3.799 3.799 . 0 0 "[ ]" 1 1213 1 26 THR MG 1 64 ASP HA 4.000 . 6.500 2.296 2.296 2.296 . 0 0 "[ ]" 1 1214 1 16 PHE QE 1 64 ASP HA 4.000 . 7.000 2.810 2.810 2.810 . 0 0 "[ ]" 1 1215 1 27 ILE MD 1 68 PHE QD 4.000 . 8.500 5.740 5.740 5.740 . 0 0 "[ ]" 1 1216 1 12 PHE QB 1 69 LEU QD 4.000 . 8.400 3.449 3.449 3.449 . 0 0 "[ ]" 1 1217 1 12 PHE QD 1 69 LEU QD 3.000 . 7.700 2.453 2.453 2.453 . 0 0 "[ ]" 1 1218 1 12 PHE QE 1 69 LEU QD 4.000 . 9.400 2.220 2.220 2.220 . 0 0 "[ ]" 1 1219 1 55 VAL QG 1 71 MET HA 4.000 . 7.400 4.728 4.728 4.728 . 0 0 "[ ]" 1 1220 1 85 ILE MG 1 142 VAL QG 4.000 . 8.900 3.529 3.529 3.529 . 0 0 "[ ]" 1 1221 1 86 ARG HA 1 138 TYR QE 3.000 . 5.300 3.690 3.690 3.690 . 0 0 "[ ]" 1 1222 1 86 ARG HA 1 138 TYR QD 4.000 . 7.000 5.857 5.857 5.857 . 0 0 "[ ]" 1 1223 1 88 ALA MB 1 141 PHE HZ 4.000 . 6.500 3.896 3.896 3.896 . 0 0 "[ ]" 1 1224 1 89 PHE HA 1 100 ILE MD 4.000 . 6.500 5.299 5.299 5.299 . 0 0 "[ ]" 1 1225 1 89 PHE QB 1 141 PHE QE 4.000 . 8.000 4.116 4.116 4.116 . 0 0 "[ ]" 1 1226 1 91 VAL QG 1 108 VAL QG 4.000 . 9.800 3.100 3.100 3.100 . 0 0 "[ ]" 1 1227 1 92 PHE HA 1 100 ILE MD 4.000 . 6.500 5.205 5.205 5.205 . 0 0 "[ ]" 1 1228 1 92 PHE HA 1 108 VAL QG 4.000 . 7.400 2.335 2.335 2.335 . 0 0 "[ ]" 1 1229 1 93 ASP H 1 100 ILE MD 4.000 . 6.500 5.066 5.066 5.066 . 0 0 "[ ]" 1 1230 1 99 PHE HA 1 137 ASN HA 3.000 . 3.300 2.905 2.905 2.905 . 0 0 "[ ]" 1 1231 1 99 PHE QD 1 135 GLN QB 4.000 . 8.000 3.402 3.402 3.402 . 0 0 "[ ]" 1 1232 1 99 PHE QD 1 135 GLN QG 4.000 . 8.000 4.265 4.265 4.265 . 0 0 "[ ]" 1 1233 1 100 ILE H 1 136 VAL H 4.000 . 5.000 2.830 2.830 2.830 . 0 0 "[ ]" 1 1234 1 100 ILE H 1 136 VAL HB 4.000 . 5.000 2.769 2.769 2.769 . 0 0 "[ ]" 1 1235 1 89 PHE QE 1 100 ILE MD 4.000 . 8.500 3.250 3.250 3.250 . 0 0 "[ ]" 1 1236 1 89 PHE QD 1 100 ILE MD 4.000 . 8.500 4.348 4.348 4.348 . 0 0 "[ ]" 1 1237 1 100 ILE MD 1 136 VAL HB 4.000 . 6.500 2.734 2.734 2.734 . 0 0 "[ ]" 1 1238 1 100 ILE HB 1 136 VAL HB 4.000 . 5.000 2.429 2.429 2.429 . 0 0 "[ ]" 1 1239 1 100 ILE HB 1 136 VAL QG 4.000 . 7.400 2.985 2.985 2.985 . 0 0 "[ ]" 1 1240 1 92 PHE QB 1 100 ILE MD 3.000 . 5.800 2.950 2.950 2.950 . 0 0 "[ ]" 1 1241 1 100 ILE MD 1 136 VAL QG 3.000 . 7.200 2.543 2.543 2.543 . 0 0 "[ ]" 1 1242 1 92 PHE QB 1 100 ILE MG 4.000 . 7.500 3.551 3.551 3.551 . 0 0 "[ ]" 1 1243 1 100 ILE MG 1 125 ILE MD 4.000 . 8.000 2.877 2.877 2.877 . 0 0 "[ ]" 1 1244 1 100 ILE MG 1 136 VAL QG 3.000 . 7.200 3.709 3.709 3.709 . 0 0 "[ ]" 1 1245 1 101 SER HA 1 135 GLN HA 4.000 . 5.000 4.165 4.165 4.165 . 0 0 "[ ]" 1 1246 1 101 SER HA 1 135 GLN QB 4.000 . 6.000 4.107 4.107 4.107 . 0 0 "[ ]" 1 1247 1 101 SER HA 1 135 GLN QG 4.000 . 6.000 3.008 3.008 3.008 . 0 0 "[ ]" 1 1248 1 101 SER HA 1 125 ILE MD 4.000 . 6.500 3.609 3.609 3.609 . 0 0 "[ ]" 1 1249 1 102 ALA H 1 125 ILE MG 4.000 . 6.500 4.866 4.866 4.866 . 0 0 "[ ]" 1 1250 1 102 ALA H 1 125 ILE MD 4.000 . 7.500 3.624 3.624 3.624 . 0 0 "[ ]" 1 1251 1 102 ALA HA 1 125 ILE MD 3.000 . 4.800 2.455 2.455 2.455 . 0 0 "[ ]" 1 1252 1 102 ALA HA 1 121 VAL QG 4.000 . 7.400 2.775 2.775 2.775 . 0 0 "[ ]" 1 1253 1 102 ALA MB 1 121 VAL QG 4.000 . 8.900 3.384 3.384 3.384 . 0 0 "[ ]" 1 1254 1 102 ALA MB 1 125 ILE MD 4.000 . 9.000 3.202 3.202 3.202 . 0 0 "[ ]" 1 1255 1 102 ALA HA 1 125 ILE QG 4.000 . 6.000 4.245 4.245 4.245 . 0 0 "[ ]" 1 1256 1 103 ALA HA 1 121 VAL QG 4.000 . 8.400 5.233 5.233 5.233 . 0 0 "[ ]" 1 1257 1 92 PHE QD 1 105 LEU QD 3.000 . 7.700 2.380 2.380 2.380 . 0 0 "[ ]" 1 1258 1 92 PHE QE 1 105 LEU QD 3.000 . 7.700 2.886 2.886 2.886 . 0 0 "[ ]" 1 1259 1 92 PHE QB 1 105 LEU QD 4.000 . 9.400 3.387 3.387 3.387 . 0 0 "[ ]" 1 1260 1 105 LEU QD 1 121 VAL QG 4.000 . 9.800 1.849 1.849 1.849 . 0 0 "[ ]" 1 1261 1 105 LEU QD 1 124 MET QB 3.000 . 6.700 3.811 3.811 3.811 . 0 0 "[ ]" 1 1262 1 105 LEU QB 1 125 ILE MD 4.000 . 7.500 3.072 3.072 3.072 . 0 0 "[ ]" 1 1263 1 106 ARG HA 1 121 VAL QG 3.000 . 5.700 2.967 2.967 2.967 . 0 0 "[ ]" 1 1264 1 106 ARG HA 1 116 LEU QD 4.000 . 8.400 4.626 4.626 4.626 . 0 0 "[ ]" 1 1265 1 106 ARG QG 1 121 VAL QG 4.000 . 8.400 3.426 3.426 3.426 . 0 0 "[ ]" 1 1266 1 106 ARG QD 1 121 VAL QG 4.000 . 8.400 4.504 4.504 4.504 . 0 0 "[ ]" 1 1267 1 106 ARG QB 1 121 VAL QG 4.000 . 8.400 3.329 3.329 3.329 . 0 0 "[ ]" 1 1268 1 92 PHE QD 1 108 VAL QG 4.000 . 9.400 3.556 3.556 3.556 . 0 0 "[ ]" 1 1269 1 92 PHE QE 1 108 VAL QG 4.000 . 9.400 3.793 3.793 3.793 . 0 0 "[ ]" 1 1270 1 92 PHE HZ 1 108 VAL QG 4.000 . 8.400 4.395 4.395 4.395 . 0 0 "[ ]" 1 1271 1 109 MET HA 1 116 LEU QD 4.000 . 8.400 3.714 3.714 3.714 . 0 0 "[ ]" 1 1272 1 109 MET ME 1 116 LEU QD 3.000 . 7.200 3.232 3.232 3.232 . 0 0 "[ ]" 1 1273 1 109 MET QB 1 121 VAL QG 4.000 . 9.400 3.219 3.219 3.219 . 0 0 "[ ]" 1 1274 1 109 MET QG 1 121 VAL QG 4.000 . 9.400 3.977 3.977 3.977 . 0 0 "[ ]" 1 1275 1 116 LEU QD 1 124 MET ME 4.000 . 9.900 4.145 4.145 4.145 . 0 0 "[ ]" 1 1276 1 105 LEU QD 1 125 ILE H 4.000 . 8.400 4.667 4.667 4.667 . 0 0 "[ ]" 1 1277 1 125 ILE HA 1 136 VAL QG 4.000 . 7.400 2.910 2.910 2.910 . 0 0 "[ ]" 1 1278 1 125 ILE MD 1 136 VAL QG 4.000 . 8.900 3.383 3.383 3.383 . 0 0 "[ ]" 1 1279 1 125 ILE MD 1 136 VAL HB 4.000 . 6.500 4.644 4.644 4.644 . 0 0 "[ ]" 1 1280 1 125 ILE MD 1 135 GLN HA 4.000 . 6.500 4.116 4.116 4.116 . 0 0 "[ ]" 1 1281 1 125 ILE MG 1 136 VAL QG 4.000 . 9.900 1.971 1.971 1.971 . 0 0 "[ ]" 1 1282 1 128 ALA MB 1 136 VAL QG 4.000 . 8.900 2.192 2.192 2.192 . 0 0 "[ ]" 1 1283 1 128 ALA MB 1 136 VAL HB 4.000 . 6.500 4.745 4.745 4.745 . 0 0 "[ ]" 1 1284 1 125 ILE MG 1 135 GLN HA 3.000 . 4.800 2.842 2.842 2.842 . 0 0 "[ ]" 1 1285 1 100 ILE HB 1 136 VAL H 4.000 . 5.000 3.085 3.085 3.085 . 0 0 "[ ]" 1 1286 1 125 ILE MG 1 136 VAL H 4.000 . 6.500 3.178 3.178 3.178 . 0 0 "[ ]" 1 1287 1 100 ILE MD 1 136 VAL H 4.000 . 6.500 4.461 4.461 4.461 . 0 0 "[ ]" 1 1288 1 89 PHE HZ 1 138 TYR H 4.000 . 5.000 4.645 4.645 4.645 . 0 0 "[ ]" 1 1289 1 100 ILE MD 1 141 PHE QD 4.000 . 8.500 2.989 2.989 2.989 . 0 0 "[ ]" 1 1290 1 100 ILE MD 1 141 PHE QE 4.000 . 8.500 3.776 3.776 3.776 . 0 0 "[ ]" 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 153 _Distance_constraint_stats_list.Viol_count 24 _Distance_constraint_stats_list.Viol_total 3.198 _Distance_constraint_stats_list.Viol_max 0.297 _Distance_constraint_stats_list.Viol_rms 0.0559 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0209 _Distance_constraint_stats_list.Viol_average_violations_only 0.1332 _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 2 1 LYS 0.000 0.000 . 0 "[ ]" 2 3 ARG 0.000 0.000 . 0 "[ ]" 2 4 TRP 0.000 0.000 . 0 "[ ]" 2 5 LYS 0.128 0.128 1 0 "[ ]" 2 6 LYS 0.329 0.161 1 0 "[ ]" 2 7 ASN 0.251 0.161 1 0 "[ ]" 2 8 PHE 0.183 0.154 1 0 "[ ]" 2 9 ILE 0.519 0.245 1 0 "[ ]" 2 10 ALA 0.275 0.200 1 0 "[ ]" 2 11 VAL 0.670 0.297 1 0 "[ ]" 2 12 SER 0.088 0.088 1 0 "[ ]" 2 13 ALA 0.248 0.132 1 0 "[ ]" 2 14 ALA 0.291 0.176 1 0 "[ ]" 2 15 ASN 0.049 0.049 1 0 "[ ]" 2 16 ARG 0.049 0.049 1 0 "[ ]" 2 17 PHE 0.000 0.000 . 0 "[ ]" 2 18 LYS 0.212 0.212 1 0 "[ ]" 2 19 LYS 0.345 0.204 1 0 "[ ]" 2 20 ILE 0.499 0.227 1 0 "[ ]" 2 21 SER 0.164 0.110 1 0 "[ ]" 2 22 SER 0.000 0.000 . 0 "[ ]" 2 23 SER 0.000 0.000 . 0 "[ ]" 2 26 LEU 0.000 0.000 . 0 "[ ]" 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 2 1 LYS HA 2 1 LYS QB 2.500 . 3.700 2.414 2.414 2.414 . 0 0 "[ ]" 2 2 2 4 TRP H 2 4 TRP HA 3.000 . 3.300 2.886 2.886 2.886 . 0 0 "[ ]" 2 3 2 4 TRP H 2 4 TRP QB 3.000 . 3.900 2.402 2.402 2.402 . 0 0 "[ ]" 2 4 2 4 TRP HA 2 4 TRP QB 2.500 . 3.700 2.408 2.408 2.408 . 0 0 "[ ]" 2 5 2 4 TRP HA 2 4 TRP HD1 4.000 . 5.000 3.584 3.584 3.584 . 0 0 "[ ]" 2 6 2 4 TRP QB 2 4 TRP HD1 2.500 . 3.700 2.789 2.789 2.789 . 0 0 "[ ]" 2 7 2 4 TRP HA 2 4 TRP HE3 4.000 . 5.000 3.743 3.743 3.743 . 0 0 "[ ]" 2 8 2 4 TRP QB 2 4 TRP HE3 3.000 . 4.300 2.216 2.216 2.216 . 0 0 "[ ]" 2 9 2 5 LYS H 2 5 LYS HA 2.500 . 2.700 2.828 2.828 2.828 0.128 1 0 "[ ]" 2 10 2 5 LYS H 2 5 LYS QB 2.500 . 3.300 2.392 2.392 2.392 . 0 0 "[ ]" 2 11 2 5 LYS HA 2 5 LYS QB 2.500 . 3.700 2.388 2.388 2.388 . 0 0 "[ ]" 2 12 2 6 LYS H 2 6 LYS HA 2.500 . 2.700 2.778 2.778 2.778 0.078 1 0 "[ ]" 2 13 2 6 LYS H 2 6 LYS QB 2.500 . 3.300 3.018 3.018 3.018 . 0 0 "[ ]" 2 14 2 6 LYS HA 2 6 LYS QB 2.500 . 3.700 2.169 2.169 2.169 . 0 0 "[ ]" 2 15 2 7 ASN H 2 7 ASN HA 3.000 . 3.300 2.898 2.898 2.898 . 0 0 "[ ]" 2 16 2 7 ASN H 2 7 ASN QB 2.500 . 3.300 2.079 2.079 2.079 . 0 0 "[ ]" 2 17 2 7 ASN HA 2 7 ASN QB 2.500 . 3.700 2.546 2.546 2.546 . 0 0 "[ ]" 2 18 2 8 PHE H 2 8 PHE QD 4.000 . 7.000 4.044 4.044 4.044 . 0 0 "[ ]" 2 19 2 8 PHE H 2 8 PHE HA 2.500 . 2.700 2.854 2.854 2.854 0.154 1 0 "[ ]" 2 20 2 8 PHE H 2 8 PHE QB 2.500 . 3.300 2.167 2.167 2.167 . 0 0 "[ ]" 2 21 2 8 PHE HA 2 8 PHE QB 2.500 . 3.700 2.260 2.260 2.260 . 0 0 "[ ]" 2 22 2 8 PHE QB 2 8 PHE QD 2.500 . 5.700 2.157 2.157 2.157 . 0 0 "[ ]" 2 23 2 8 PHE HA 2 8 PHE QD 2.500 . 4.700 2.713 2.713 2.713 . 0 0 "[ ]" 2 24 2 9 ILE H 2 9 ILE HA 2.500 . 2.700 2.745 2.745 2.745 0.045 1 0 "[ ]" 2 25 2 9 ILE H 2 9 ILE HB 2.500 . 2.700 2.192 2.192 2.192 . 0 0 "[ ]" 2 26 2 9 ILE H 2 9 ILE MG 2.500 . 4.200 3.647 3.647 3.647 . 0 0 "[ ]" 2 27 2 9 ILE H 2 9 ILE MD 4.000 . 6.500 3.615 3.615 3.615 . 0 0 "[ ]" 2 28 2 9 ILE HA 2 9 ILE HB 2.500 . 2.700 2.945 2.945 2.945 0.245 1 0 "[ ]" 2 29 2 9 ILE HA 2 9 ILE MG 2.500 . 3.800 2.652 2.652 2.652 . 0 0 "[ ]" 2 30 2 9 ILE HA 2 9 ILE MD 3.000 . 4.800 3.728 3.728 3.728 . 0 0 "[ ]" 2 31 2 10 ALA H 2 10 ALA HA 2.500 . 2.700 2.775 2.775 2.775 0.075 1 0 "[ ]" 2 32 2 10 ALA H 2 10 ALA MB 2.500 . 3.800 2.270 2.270 2.270 . 0 0 "[ ]" 2 33 2 11 VAL H 2 11 VAL HA 2.500 . 2.700 2.809 2.809 2.809 0.109 1 0 "[ ]" 2 34 2 11 VAL H 2 11 VAL HB 2.500 . 2.700 2.500 2.500 2.500 . 0 0 "[ ]" 2 35 2 11 VAL H 2 11 VAL QG 2.500 . 4.400 2.271 2.271 2.271 . 0 0 "[ ]" 2 36 2 11 VAL HA 2 11 VAL HB 2.500 . 2.700 2.997 2.997 2.997 0.297 1 0 "[ ]" 2 37 2 11 VAL HA 2 11 VAL QG 2.500 . 3.300 2.061 2.061 2.061 . 0 0 "[ ]" 2 38 2 12 SER H 2 12 SER QB 3.000 . 3.900 2.235 2.235 2.235 . 0 0 "[ ]" 2 39 2 13 ALA H 2 13 ALA HA 2.500 . 2.700 2.832 2.832 2.832 0.132 1 0 "[ ]" 2 40 2 13 ALA H 2 13 ALA MB 2.500 . 3.800 2.193 2.193 2.193 . 0 0 "[ ]" 2 41 2 14 ALA H 2 14 ALA HA 3.000 . 3.300 2.875 2.875 2.875 . 0 0 "[ ]" 2 42 2 15 ASN H 2 15 ASN QB 3.000 . 3.900 2.228 2.228 2.228 . 0 0 "[ ]" 2 43 2 15 ASN HA 2 15 ASN QB 2.500 . 4.200 2.265 2.265 2.265 . 0 0 "[ ]" 2 44 2 16 ARG HA 2 16 ARG QB 2.500 . 3.700 2.424 2.424 2.424 . 0 0 "[ ]" 2 45 2 17 PHE H 2 17 PHE HA 3.000 . 3.300 2.886 2.886 2.886 . 0 0 "[ ]" 2 46 2 17 PHE H 2 17 PHE QB 3.000 . 3.900 2.194 2.194 2.194 . 0 0 "[ ]" 2 47 2 17 PHE H 2 17 PHE QD 3.000 . 5.300 2.945 2.945 2.945 . 0 0 "[ ]" 2 48 2 17 PHE HA 2 17 PHE QB 2.500 . 3.700 2.479 2.479 2.479 . 0 0 "[ ]" 2 49 2 17 PHE HA 2 17 PHE QD 2.500 . 4.700 2.482 2.482 2.482 . 0 0 "[ ]" 2 50 2 17 PHE HA 2 17 PHE QE 3.000 . 5.300 4.060 4.060 4.060 . 0 0 "[ ]" 2 51 2 18 LYS H 2 18 LYS HA 2.500 . 2.700 2.912 2.912 2.912 0.212 1 0 "[ ]" 2 52 2 18 LYS H 2 18 LYS QB 2.500 . 3.300 2.310 2.310 2.310 . 0 0 "[ ]" 2 53 2 18 LYS HA 2 18 LYS QB 2.500 . 3.700 2.430 2.430 2.430 . 0 0 "[ ]" 2 54 2 18 LYS HA 2 18 LYS QD 4.000 . 6.000 3.955 3.955 3.955 . 0 0 "[ ]" 2 55 2 19 LYS H 2 19 LYS HA 2.500 . 2.700 2.904 2.904 2.904 0.204 1 0 "[ ]" 2 56 2 19 LYS H 2 19 LYS QB 2.500 . 3.300 2.124 2.124 2.124 . 0 0 "[ ]" 2 57 2 19 LYS HA 2 19 LYS QB 2.500 . 3.700 2.527 2.527 2.527 . 0 0 "[ ]" 2 58 2 20 ILE H 2 20 ILE HA 2.500 . 2.700 2.778 2.778 2.778 0.078 1 0 "[ ]" 2 59 2 20 ILE H 2 20 ILE HB 2.500 . 2.700 2.182 2.182 2.182 . 0 0 "[ ]" 2 60 2 20 ILE H 2 20 ILE MG 3.000 . 4.800 3.607 3.607 3.607 . 0 0 "[ ]" 2 61 2 20 ILE HA 2 20 ILE HB 2.500 . 2.700 2.927 2.927 2.927 0.227 1 0 "[ ]" 2 62 2 20 ILE HA 2 20 ILE QG 2.500 . 3.300 2.140 2.140 2.140 . 0 0 "[ ]" 2 63 2 20 ILE HA 2 20 ILE MG 2.500 . 3.800 2.788 2.788 2.788 . 0 0 "[ ]" 2 64 2 20 ILE HA 2 20 ILE MD 2.500 . 4.200 3.667 3.667 3.667 . 0 0 "[ ]" 2 65 2 21 SER H 2 21 SER HA 2.500 . 2.700 2.810 2.810 2.810 0.110 1 0 "[ ]" 2 66 2 21 SER H 2 21 SER QB 2.500 . 3.300 2.384 2.384 2.384 . 0 0 "[ ]" 2 67 2 21 SER HA 2 21 SER QB 2.500 . 3.700 2.222 2.222 2.222 . 0 0 "[ ]" 2 68 2 22 SER HA 2 22 SER QB 2.500 . 3.700 2.410 2.410 2.410 . 0 0 "[ ]" 2 69 2 23 SER HA 2 23 SER QB 2.500 . 3.700 2.414 2.414 2.414 . 0 0 "[ ]" 2 70 2 26 LEU HA 2 26 LEU QB 2.500 . 3.700 2.410 2.410 2.410 . 0 0 "[ ]" 2 71 2 3 ARG H 2 4 TRP H 4.000 . 5.000 4.287 4.287 4.287 . 0 0 "[ ]" 2 72 2 4 TRP H 2 5 LYS H 2.500 . 2.700 2.518 2.518 2.518 . 0 0 "[ ]" 2 73 2 4 TRP HA 2 5 LYS H 4.000 . 5.000 3.252 3.252 3.252 . 0 0 "[ ]" 2 74 2 4 TRP QB 2 5 LYS H 4.000 . 6.000 3.270 3.270 3.270 . 0 0 "[ ]" 2 75 2 5 LYS QB 2 6 LYS H 3.000 . 4.300 2.120 2.120 2.120 . 0 0 "[ ]" 2 76 2 6 LYS H 2 7 ASN H 2.500 . 2.700 2.791 2.791 2.791 0.091 1 0 "[ ]" 2 77 2 6 LYS HA 2 7 ASN H 3.000 . 3.300 3.461 3.461 3.461 0.161 1 0 "[ ]" 2 78 2 7 ASN H 2 8 PHE H 2.500 . 2.700 2.581 2.581 2.581 . 0 0 "[ ]" 2 79 2 7 ASN QB 2 8 PHE H 4.000 . 6.000 2.511 2.511 2.511 . 0 0 "[ ]" 2 80 2 8 PHE QD 2 9 ILE HA 4.000 . 7.000 3.188 3.188 3.188 . 0 0 "[ ]" 2 81 2 8 PHE QD 2 9 ILE HB 3.000 . 5.300 3.959 3.959 3.959 . 0 0 "[ ]" 2 82 2 8 PHE QD 2 9 ILE MG 3.000 . 6.800 4.717 4.717 4.717 . 0 0 "[ ]" 2 83 2 8 PHE QD 2 9 ILE MD 4.000 . 8.500 3.854 3.854 3.854 . 0 0 "[ ]" 2 84 2 8 PHE H 2 9 ILE H 2.500 . 2.700 2.729 2.729 2.729 0.029 1 0 "[ ]" 2 85 2 8 PHE QD 2 9 ILE H 3.000 . 5.300 2.521 2.521 2.521 . 0 0 "[ ]" 2 86 2 8 PHE HA 2 9 ILE H 4.000 . 5.000 3.533 3.533 3.533 . 0 0 "[ ]" 2 87 2 9 ILE H 2 10 ALA MB 4.000 . 6.500 4.484 4.484 4.484 . 0 0 "[ ]" 2 88 2 9 ILE H 2 10 ALA H 2.500 . 2.700 2.900 2.900 2.900 0.200 1 0 "[ ]" 2 89 2 9 ILE HA 2 10 ALA H 4.000 . 5.000 3.520 3.520 3.520 . 0 0 "[ ]" 2 90 2 9 ILE HB 2 10 ALA H 2.500 . 2.700 2.470 2.470 2.470 . 0 0 "[ ]" 2 91 2 9 ILE MG 2 10 ALA H 3.000 . 4.800 2.431 2.431 2.431 . 0 0 "[ ]" 2 92 2 9 ILE QG 2 10 ALA HA 3.000 . 4.300 2.756 2.756 2.756 . 0 0 "[ ]" 2 93 2 10 ALA H 2 11 VAL H 3.000 . 3.300 3.018 3.018 3.018 . 0 0 "[ ]" 2 94 2 10 ALA HA 2 11 VAL H 4.000 . 5.000 3.558 3.558 3.558 . 0 0 "[ ]" 2 95 2 10 ALA MB 2 11 VAL H 2.500 . 4.200 2.144 2.144 2.144 . 0 0 "[ ]" 2 96 2 10 ALA MB 2 11 VAL QG 3.000 . 7.200 3.017 3.017 3.017 . 0 0 "[ ]" 2 97 2 11 VAL H 2 12 SER H 3.000 . 3.300 2.654 2.654 2.654 . 0 0 "[ ]" 2 98 2 11 VAL HB 2 12 SER H 2.500 . 2.700 2.788 2.788 2.788 0.088 1 0 "[ ]" 2 99 2 11 VAL QG 2 12 SER H 3.000 . 5.700 3.324 3.324 3.324 . 0 0 "[ ]" 2 100 2 12 SER H 2 13 ALA H 2.500 . 2.700 2.675 2.675 2.675 . 0 0 "[ ]" 2 101 2 12 SER HA 2 13 ALA H 4.000 . 5.000 3.540 3.540 3.540 . 0 0 "[ ]" 2 102 2 12 SER QB 2 13 ALA H 4.000 . 6.000 2.617 2.617 2.617 . 0 0 "[ ]" 2 103 2 13 ALA H 2 14 ALA H 2.500 . 2.700 2.815 2.815 2.815 0.115 1 0 "[ ]" 2 104 2 13 ALA HA 2 14 ALA H 4.000 . 5.000 3.552 3.552 3.552 . 0 0 "[ ]" 2 105 2 13 ALA MB 2 14 ALA H 2.500 . 4.200 2.299 2.299 2.299 . 0 0 "[ ]" 2 106 2 14 ALA H 2 15 ASN H 3.000 . 3.300 2.764 2.764 2.764 . 0 0 "[ ]" 2 107 2 14 ALA MB 2 15 ASN H 2.500 . 4.200 2.473 2.473 2.473 . 0 0 "[ ]" 2 108 2 15 ASN H 2 16 ARG H 2.500 . 2.700 2.749 2.749 2.749 0.049 1 0 "[ ]" 2 109 2 15 ASN QB 2 16 ARG H 4.000 . 6.000 2.684 2.684 2.684 . 0 0 "[ ]" 2 110 2 16 ARG H 2 17 PHE H 2.500 . 2.700 2.590 2.590 2.590 . 0 0 "[ ]" 2 111 2 17 PHE H 2 18 LYS H 3.000 . 3.300 2.500 2.500 2.500 . 0 0 "[ ]" 2 112 2 17 PHE QB 2 18 LYS H 4.000 . 6.000 3.174 3.174 3.174 . 0 0 "[ ]" 2 113 2 18 LYS H 2 19 LYS H 2.500 . 2.700 2.282 2.282 2.282 . 0 0 "[ ]" 2 114 2 18 LYS HA 2 19 LYS H 4.000 . 5.000 3.491 3.491 3.491 . 0 0 "[ ]" 2 115 2 19 LYS H 2 20 ILE H 3.000 . 3.300 2.347 2.347 2.347 . 0 0 "[ ]" 2 116 2 19 LYS HA 2 20 ILE H 3.000 . 3.300 3.440 3.440 3.440 0.140 1 0 "[ ]" 2 117 2 20 ILE H 2 21 SER H 2.500 . 2.700 2.754 2.754 2.754 0.054 1 0 "[ ]" 2 118 2 20 ILE HB 2 21 SER H 4.000 . 5.000 3.109 3.109 3.109 . 0 0 "[ ]" 2 119 2 20 ILE QG 2 21 SER H 3.000 . 4.300 2.846 2.846 2.846 . 0 0 "[ ]" 2 120 2 20 ILE HB 2 21 SER HA 4.000 . 5.000 4.942 4.942 4.942 . 0 0 "[ ]" 2 121 2 4 TRP HA 2 7 ASN QB 4.000 . 6.000 2.713 2.713 2.713 . 0 0 "[ ]" 2 122 2 5 LYS HA 2 8 PHE QB 2.500 . 3.700 2.322 2.322 2.322 . 0 0 "[ ]" 2 123 2 6 LYS HA 2 9 ILE MG 4.000 . 6.500 3.316 3.316 3.316 . 0 0 "[ ]" 2 124 2 6 LYS HA 2 9 ILE MD 2.500 . 4.200 3.164 3.164 3.164 . 0 0 "[ ]" 2 125 2 7 ASN HA 2 10 ALA MB 3.000 . 4.800 2.863 2.863 2.863 . 0 0 "[ ]" 2 126 2 5 LYS HA 2 8 PHE H 4.000 . 5.000 3.259 3.259 3.259 . 0 0 "[ ]" 2 127 2 8 PHE HA 2 11 VAL HB 3.000 . 3.300 2.912 2.912 2.912 . 0 0 "[ ]" 2 128 2 8 PHE HA 2 11 VAL QG 3.000 . 5.700 3.170 3.170 3.170 . 0 0 "[ ]" 2 129 2 5 LYS HA 2 8 PHE QD 3.000 . 5.300 3.003 3.003 3.003 . 0 0 "[ ]" 2 130 2 8 PHE QD 2 10 ALA MB 4.000 . 8.500 5.948 5.948 5.948 . 0 0 "[ ]" 2 131 2 5 LYS HA 2 9 ILE H 4.000 . 5.000 3.056 3.056 3.056 . 0 0 "[ ]" 2 132 2 6 LYS HA 2 9 ILE H 4.000 . 5.000 3.937 3.937 3.937 . 0 0 "[ ]" 2 133 2 9 ILE HA 2 12 SER QB 2.500 . 3.700 2.181 2.181 2.181 . 0 0 "[ ]" 2 134 2 10 ALA HA 2 13 ALA MB 3.000 . 4.800 2.993 2.993 2.993 . 0 0 "[ ]" 2 135 2 11 VAL HA 2 14 ALA MB 2.500 . 4.200 3.046 3.046 3.046 . 0 0 "[ ]" 2 136 2 11 VAL QG 2 14 ALA MB 3.000 . 7.200 3.453 3.453 3.453 . 0 0 "[ ]" 2 137 2 9 ILE HA 2 12 SER H 4.000 . 5.000 3.284 3.284 3.284 . 0 0 "[ ]" 2 138 2 12 SER HA 2 15 ASN QB 2.500 . 3.700 2.321 2.321 2.321 . 0 0 "[ ]" 2 139 2 10 ALA HA 2 13 ALA H 4.000 . 5.000 3.409 3.409 3.409 . 0 0 "[ ]" 2 140 2 13 ALA HA 2 16 ARG QB 3.000 . 4.300 2.986 2.986 2.986 . 0 0 "[ ]" 2 141 2 11 VAL HA 2 14 ALA H 3.000 . 3.300 3.476 3.476 3.476 0.176 1 0 "[ ]" 2 142 2 14 ALA HA 2 17 PHE QB 4.000 . 6.000 2.503 2.503 2.503 . 0 0 "[ ]" 2 143 2 12 SER HA 2 15 ASN H 4.000 . 5.000 3.660 3.660 3.660 . 0 0 "[ ]" 2 144 2 15 ASN HA 2 18 LYS QB 3.000 . 4.300 2.890 2.890 2.890 . 0 0 "[ ]" 2 145 2 17 PHE HA 2 20 ILE HB 3.000 . 3.300 2.424 2.424 2.424 . 0 0 "[ ]" 2 146 2 17 PHE HA 2 20 ILE MG 4.000 . 6.500 3.738 3.738 3.738 . 0 0 "[ ]" 2 147 2 17 PHE HA 2 20 ILE MD 2.500 . 4.200 2.218 2.218 2.218 . 0 0 "[ ]" 2 148 2 14 ALA HA 2 17 PHE QD 2.500 . 4.700 3.084 3.084 3.084 . 0 0 "[ ]" 2 149 2 14 ALA HA 2 17 PHE QE 4.000 . 7.000 5.263 5.263 5.263 . 0 0 "[ ]" 2 150 2 14 ALA MB 2 17 PHE QD 3.000 . 6.800 4.535 4.535 4.535 . 0 0 "[ ]" 2 151 2 14 ALA MB 2 17 PHE QE 4.000 . 8.500 6.149 6.149 6.149 . 0 0 "[ ]" 2 152 2 13 ALA HA 2 17 PHE QD 4.000 . 7.000 3.810 3.810 3.810 . 0 0 "[ ]" 2 153 2 13 ALA HA 2 17 PHE QE 4.000 . 7.000 4.264 4.264 4.264 . 0 0 "[ ]" 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 131 _Distance_constraint_stats_list.Viol_count 0 _Distance_constraint_stats_list.Viol_total 0.000 _Distance_constraint_stats_list.Viol_max 0.000 _Distance_constraint_stats_list.Viol_rms 0.0000 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0000 _Distance_constraint_stats_list.Viol_average_violations_only 0.0000 _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 11 GLU 0.000 0.000 . 0 "[ ]" 1 12 PHE 0.000 0.000 . 0 "[ ]" 1 15 ALA 0.000 0.000 . 0 "[ ]" 1 19 PHE 0.000 0.000 . 0 "[ ]" 1 27 ILE 0.000 0.000 . 0 "[ ]" 1 32 LEU 0.000 0.000 . 0 "[ ]" 1 36 MET 0.000 0.000 . 0 "[ ]" 1 39 LEU 0.000 0.000 . 0 "[ ]" 1 51 MET 0.000 0.000 . 0 "[ ]" 1 52 ILE 0.000 0.000 . 0 "[ ]" 1 55 VAL 0.000 0.000 . 0 "[ ]" 1 63 ILE 0.000 0.000 . 0 "[ ]" 1 71 MET 0.000 0.000 . 0 "[ ]" 1 72 MET 0.000 0.000 . 0 "[ ]" 1 85 ILE 0.000 0.000 . 0 "[ ]" 1 88 ALA 0.000 0.000 . 0 "[ ]" 1 91 VAL 0.000 0.000 . 0 "[ ]" 1 92 PHE 0.000 0.000 . 0 "[ ]" 1 100 ILE 0.000 0.000 . 0 "[ ]" 1 105 LEU 0.000 0.000 . 0 "[ ]" 1 108 VAL 0.000 0.000 . 0 "[ ]" 1 109 MET 0.000 0.000 . 0 "[ ]" 1 112 LEU 0.000 0.000 . 0 "[ ]" 1 121 VAL 0.000 0.000 . 0 "[ ]" 1 124 MET 0.000 0.000 . 0 "[ ]" 1 125 ILE 0.000 0.000 . 0 "[ ]" 1 136 VAL 0.000 0.000 . 0 "[ ]" 1 144 MET 0.000 0.000 . 0 "[ ]" 1 145 MET 0.000 0.000 . 0 "[ ]" 2 2 ARG 0.000 0.000 . 0 "[ ]" 2 4 TRP 0.000 0.000 . 0 "[ ]" 2 5 LYS 0.000 0.000 . 0 "[ ]" 2 6 LYS 0.000 0.000 . 0 "[ ]" 2 7 ASN 0.000 0.000 . 0 "[ ]" 2 8 PHE 0.000 0.000 . 0 "[ ]" 2 9 ILE 0.000 0.000 . 0 "[ ]" 2 10 ALA 0.000 0.000 . 0 "[ ]" 2 11 VAL 0.000 0.000 . 0 "[ ]" 2 12 SER 0.000 0.000 . 0 "[ ]" 2 13 ALA 0.000 0.000 . 0 "[ ]" 2 14 ALA 0.000 0.000 . 0 "[ ]" 2 15 ASN 0.000 0.000 . 0 "[ ]" 2 17 PHE 0.000 0.000 . 0 "[ ]" 2 18 LYS 0.000 0.000 . 0 "[ ]" 2 20 ILE 0.000 0.000 . 0 "[ ]" 2 21 SER 0.000 0.000 . 0 "[ ]" 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 85 ILE QG 2 15 ASN QD 4.000 . 7.000 5.012 5.012 5.012 . 0 0 "[ ]" 3 2 1 85 ILE MD 2 15 ASN QD 4.000 . 7.500 5.363 5.363 5.363 . 0 0 "[ ]" 3 3 1 109 MET ME 2 4 TRP HA 4.000 . 6.500 3.723 3.723 3.723 . 0 0 "[ ]" 3 4 1 109 MET ME 2 7 ASN HA 4.000 . 6.500 4.938 4.938 4.938 . 0 0 "[ ]" 3 5 1 109 MET ME 2 7 ASN QB 4.000 . 7.500 3.116 3.116 3.116 . 0 0 "[ ]" 3 6 1 109 MET ME 2 4 TRP HD1 4.000 . 6.500 5.393 5.393 5.393 . 0 0 "[ ]" 3 7 1 124 MET ME 2 4 TRP HD1 4.000 . 6.500 3.612 3.612 3.612 . 0 0 "[ ]" 3 8 1 124 MET ME 2 4 TRP HZ2 4.000 . 6.500 3.680 3.680 3.680 . 0 0 "[ ]" 3 9 1 124 MET ME 2 4 TRP HH2 4.000 . 6.500 4.907 4.907 4.907 . 0 0 "[ ]" 3 10 1 124 MET ME 2 4 TRP HA 3.000 . 4.800 3.818 3.818 3.818 . 0 0 "[ ]" 3 11 1 124 MET ME 2 2 ARG HA 4.000 . 6.500 2.270 2.270 2.270 . 0 0 "[ ]" 3 12 1 145 MET ME 2 4 TRP HD1 4.000 . 6.500 4.163 4.163 4.163 . 0 0 "[ ]" 3 13 1 145 MET ME 2 4 TRP HZ3 4.000 . 6.500 4.813 4.813 4.813 . 0 0 "[ ]" 3 14 1 145 MET ME 2 4 TRP HE3 3.000 . 4.800 3.302 3.302 3.302 . 0 0 "[ ]" 3 15 1 145 MET ME 2 4 TRP HA 4.000 . 6.500 4.613 4.613 4.613 . 0 0 "[ ]" 3 16 1 145 MET ME 2 5 LYS HA 4.000 . 6.500 4.848 4.848 4.848 . 0 0 "[ ]" 3 17 1 145 MET ME 2 4 TRP QB 3.000 . 5.800 2.113 2.113 2.113 . 0 0 "[ ]" 3 18 1 145 MET ME 2 8 PHE QB 4.000 . 7.500 3.625 3.625 3.625 . 0 0 "[ ]" 3 19 1 145 MET ME 2 8 PHE QD 4.000 . 7.500 4.746 4.746 4.746 . 0 0 "[ ]" 3 20 1 144 MET ME 2 4 TRP HD1 4.000 . 6.500 2.655 2.655 2.655 . 0 0 "[ ]" 3 21 1 144 MET ME 2 4 TRP HE3 4.000 . 6.500 4.870 4.870 4.870 . 0 0 "[ ]" 3 22 1 144 MET ME 2 4 TRP HZ2 4.000 . 6.500 4.721 4.721 4.721 . 0 0 "[ ]" 3 23 1 144 MET ME 2 4 TRP HA 4.000 . 6.500 5.260 5.260 5.260 . 0 0 "[ ]" 3 24 1 36 MET ME 2 17 PHE QD 3.000 . 6.800 4.530 4.530 4.530 . 0 0 "[ ]" 3 25 1 36 MET ME 2 17 PHE HA 4.000 . 6.500 4.678 4.678 4.678 . 0 0 "[ ]" 3 26 1 36 MET ME 2 17 PHE QB 3.000 . 5.800 2.764 2.764 2.764 . 0 0 "[ ]" 3 27 1 36 MET ME 2 18 LYS HA 3.000 . 4.800 3.046 3.046 3.046 . 0 0 "[ ]" 3 28 1 36 MET ME 2 18 LYS QB 3.000 . 5.800 2.214 2.214 2.214 . 0 0 "[ ]" 3 29 1 36 MET ME 2 14 ALA HA 3.000 . 4.800 3.298 3.298 3.298 . 0 0 "[ ]" 3 30 1 36 MET ME 2 14 ALA MB 3.000 . 6.300 2.801 2.801 2.801 . 0 0 "[ ]" 3 31 1 51 MET ME 2 17 PHE QD 4.000 . 8.500 4.067 4.067 4.067 . 0 0 "[ ]" 3 32 1 51 MET ME 2 17 PHE QB 4.000 . 7.500 3.559 3.559 3.559 . 0 0 "[ ]" 3 33 1 51 MET ME 2 18 LYS HA 2.500 . 4.200 2.900 2.900 2.900 . 0 0 "[ ]" 3 34 1 51 MET ME 2 21 SER QB 3.000 . 5.800 3.511 3.511 3.511 . 0 0 "[ ]" 3 35 1 71 MET ME 2 20 ILE HA 4.000 . 6.500 4.804 4.804 4.804 . 0 0 "[ ]" 3 36 1 71 MET ME 2 20 ILE MD 3.000 . 6.300 2.090 2.090 2.090 . 0 0 "[ ]" 3 37 1 72 MET ME 2 13 ALA HA 4.000 . 6.500 4.199 4.199 4.199 . 0 0 "[ ]" 3 38 1 72 MET ME 2 12 SER QB 4.000 . 7.500 3.015 3.015 3.015 . 0 0 "[ ]" 3 39 1 72 MET ME 2 13 ALA MB 4.000 . 8.000 3.972 3.972 3.972 . 0 0 "[ ]" 3 40 1 72 MET ME 2 9 ILE MG 3.000 . 6.300 2.700 2.700 2.700 . 0 0 "[ ]" 3 41 1 72 MET ME 2 9 ILE MD 4.000 . 8.000 3.557 3.557 3.557 . 0 0 "[ ]" 3 42 1 100 ILE MD 2 4 TRP HH2 4.000 . 6.500 2.399 2.399 2.399 . 0 0 "[ ]" 3 43 1 100 ILE MD 2 4 TRP HZ2 3.000 . 4.800 3.952 3.952 3.952 . 0 0 "[ ]" 3 44 1 105 LEU QD 2 4 TRP HZ3 3.000 . 5.700 2.072 2.072 2.072 . 0 0 "[ ]" 3 45 1 105 LEU QD 2 4 TRP HH2 3.000 . 5.700 2.154 2.154 2.154 . 0 0 "[ ]" 3 46 1 105 LEU QD 2 4 TRP HZ2 3.000 . 5.700 3.305 3.305 3.305 . 0 0 "[ ]" 3 47 1 105 LEU QD 2 4 TRP HE3 4.000 . 7.400 3.512 3.512 3.512 . 0 0 "[ ]" 3 48 1 100 ILE MD 2 4 TRP HZ3 4.000 . 6.500 2.206 2.206 2.206 . 0 0 "[ ]" 3 49 1 100 ILE MG 2 4 TRP HH2 3.000 . 4.800 2.314 2.314 2.314 . 0 0 "[ ]" 3 50 1 100 ILE MG 2 4 TRP HZ3 4.000 . 6.500 3.210 3.210 3.210 . 0 0 "[ ]" 3 51 1 100 ILE MG 2 4 TRP HZ2 4.000 . 6.500 4.346 4.346 4.346 . 0 0 "[ ]" 3 52 1 125 ILE MG 2 4 TRP HZ2 3.000 . 4.800 3.826 3.826 3.826 . 0 0 "[ ]" 3 53 1 105 LEU QD 2 4 TRP QB 4.000 . 8.400 4.824 4.824 4.824 . 0 0 "[ ]" 3 54 1 136 VAL QG 2 4 TRP HE3 4.000 . 7.400 5.206 5.206 5.206 . 0 0 "[ ]" 3 55 1 136 VAL QG 2 4 TRP HZ2 4.000 . 7.400 3.470 3.470 3.470 . 0 0 "[ ]" 3 56 1 136 VAL QG 2 4 TRP HH2 4.000 . 7.400 3.648 3.648 3.648 . 0 0 "[ ]" 3 57 1 136 VAL QG 2 4 TRP HZ3 4.000 . 7.400 4.611 4.611 4.611 . 0 0 "[ ]" 3 58 1 125 ILE HA 2 4 TRP HZ2 3.000 . 3.300 2.853 2.853 2.853 . 0 0 "[ ]" 3 59 1 125 ILE HA 2 4 TRP HH2 4.000 . 5.000 4.643 4.643 4.643 . 0 0 "[ ]" 3 60 1 125 ILE MD 2 4 TRP HZ2 3.000 . 4.800 3.839 3.839 3.839 . 0 0 "[ ]" 3 61 1 125 ILE MD 2 4 TRP HH2 3.000 . 4.800 3.454 3.454 3.454 . 0 0 "[ ]" 3 62 1 125 ILE MD 2 4 TRP HZ3 4.000 . 6.500 5.408 5.408 5.408 . 0 0 "[ ]" 3 63 1 121 VAL QG 2 4 TRP HZ2 3.000 . 5.700 3.949 3.949 3.949 . 0 0 "[ ]" 3 64 1 121 VAL QG 2 4 TRP HH2 3.000 . 5.700 4.023 4.023 4.023 . 0 0 "[ ]" 3 65 1 121 VAL QG 2 4 TRP HZ3 4.000 . 7.400 5.407 5.407 5.407 . 0 0 "[ ]" 3 66 1 15 ALA MB 2 6 LYS HA 3.000 . 4.800 3.343 3.343 3.343 . 0 0 "[ ]" 3 67 1 112 LEU QD 2 7 ASN HA 3.000 . 5.700 3.288 3.288 3.288 . 0 0 "[ ]" 3 68 1 85 ILE MG 2 8 PHE QD 4.000 . 8.500 4.135 4.135 4.135 . 0 0 "[ ]" 3 69 1 85 ILE MG 2 8 PHE QE 2.500 . 6.200 2.836 2.836 2.836 . 0 0 "[ ]" 3 70 1 85 ILE MG 2 8 PHE HZ 3.000 . 4.800 3.443 3.443 3.443 . 0 0 "[ ]" 3 71 1 85 ILE HA 2 8 PHE QD 4.000 . 7.000 4.536 4.536 4.536 . 0 0 "[ ]" 3 72 1 85 ILE HA 2 8 PHE QE 2.500 . 4.700 2.292 2.292 2.292 . 0 0 "[ ]" 3 73 1 85 ILE HA 2 8 PHE HZ 3.000 . 3.300 3.193 3.193 3.193 . 0 0 "[ ]" 3 74 1 88 ALA MB 2 8 PHE QD 2.500 . 6.200 2.452 2.452 2.452 . 0 0 "[ ]" 3 75 1 88 ALA MB 2 8 PHE QE 2.500 . 6.200 2.118 2.118 2.118 . 0 0 "[ ]" 3 76 1 88 ALA MB 2 8 PHE HZ 4.000 . 6.500 3.959 3.959 3.959 . 0 0 "[ ]" 3 77 1 85 ILE QG 2 8 PHE QE 3.000 . 6.300 3.168 3.168 3.168 . 0 0 "[ ]" 3 78 1 85 ILE QG 2 8 PHE HZ 3.000 . 4.300 2.302 2.302 2.302 . 0 0 "[ ]" 3 79 1 92 PHE QE 2 8 PHE HA 4.000 . 7.000 3.119 3.119 3.119 . 0 0 "[ ]" 3 80 1 12 PHE HA 2 9 ILE MG 3.000 . 4.800 3.419 3.419 3.419 . 0 0 "[ ]" 3 81 1 12 PHE HA 2 9 ILE MD 3.000 . 4.800 3.855 3.855 3.855 . 0 0 "[ ]" 3 82 1 12 PHE QD 2 9 ILE MG 4.000 . 8.500 3.072 3.072 3.072 . 0 0 "[ ]" 3 83 1 12 PHE QE 2 9 ILE MG 4.000 . 8.500 3.924 3.924 3.924 . 0 0 "[ ]" 3 84 1 11 GLU QB 2 9 ILE MD 3.000 . 5.800 3.243 3.243 3.243 . 0 0 "[ ]" 3 85 1 15 ALA MB 2 9 ILE MG 2.500 . 5.700 2.145 2.145 2.145 . 0 0 "[ ]" 3 86 1 15 ALA MB 2 9 ILE MD 3.000 . 6.300 3.719 3.719 3.719 . 0 0 "[ ]" 3 87 1 15 ALA MB 2 9 ILE HA 4.000 . 6.500 5.325 5.325 5.325 . 0 0 "[ ]" 3 88 1 15 ALA MB 2 10 ALA MB 2.500 . 5.700 2.987 2.987 2.987 . 0 0 "[ ]" 3 89 1 15 ALA MB 2 10 ALA HA 3.000 . 4.800 3.174 3.174 3.174 . 0 0 "[ ]" 3 90 1 15 ALA HA 2 10 ALA MB 3.000 . 4.800 3.349 3.349 3.349 . 0 0 "[ ]" 3 91 1 19 PHE QE 2 10 ALA MB 4.000 . 8.500 3.318 3.318 3.318 . 0 0 "[ ]" 3 92 1 112 LEU QD 2 10 ALA MB 3.000 . 7.200 3.276 3.276 3.276 . 0 0 "[ ]" 3 93 1 108 VAL QG 2 11 VAL QG 3.000 . 8.100 3.818 3.818 3.818 . 0 0 "[ ]" 3 94 1 39 LEU QD 2 11 VAL HA 3.000 . 5.700 3.877 3.877 3.877 . 0 0 "[ ]" 3 95 1 92 PHE QE 2 11 VAL HA 4.000 . 7.000 5.313 5.313 5.313 . 0 0 "[ ]" 3 96 1 92 PHE QE 2 11 VAL QG 3.000 . 7.700 2.255 2.255 2.255 . 0 0 "[ ]" 3 97 1 92 PHE HZ 2 11 VAL QG 4.000 . 7.400 2.929 2.929 2.929 . 0 0 "[ ]" 3 98 1 88 ALA MB 2 11 VAL QG 2.500 . 6.600 2.823 2.823 2.823 . 0 0 "[ ]" 3 99 1 88 ALA HA 2 11 VAL QG 2.500 . 5.100 2.707 2.707 2.707 . 0 0 "[ ]" 3 100 1 91 VAL QG 2 11 VAL HA 4.000 . 7.400 4.857 4.857 4.857 . 0 0 "[ ]" 3 101 1 91 VAL QG 2 11 VAL HB 4.000 . 7.400 4.566 4.566 4.566 . 0 0 "[ ]" 3 102 1 91 VAL QG 2 11 VAL QG 2.500 . 7.500 2.387 2.387 2.387 . 0 0 "[ ]" 3 103 1 91 VAL HB 2 11 VAL QG 3.000 . 5.700 2.922 2.922 2.922 . 0 0 "[ ]" 3 104 1 88 ALA MB 2 12 SER HA 3.000 . 4.800 3.586 3.586 3.586 . 0 0 "[ ]" 3 105 1 27 ILE MG 2 13 ALA MB 2.500 . 5.700 3.509 3.509 3.509 . 0 0 "[ ]" 3 106 1 27 ILE MG 2 13 ALA HA 4.000 . 6.500 5.347 5.347 5.347 . 0 0 "[ ]" 3 107 1 27 ILE MD 2 14 ALA MB 2.500 . 5.700 3.884 3.884 3.884 . 0 0 "[ ]" 3 108 1 32 LEU QD 2 14 ALA HA 4.000 . 7.400 2.461 2.461 2.461 . 0 0 "[ ]" 3 109 1 32 LEU QD 2 14 ALA MB 4.000 . 8.900 2.818 2.818 2.818 . 0 0 "[ ]" 3 110 1 39 LEU QD 2 14 ALA MB 2.500 . 6.600 3.227 3.227 3.227 . 0 0 "[ ]" 3 111 1 19 PHE QE 2 14 ALA HA 3.000 . 5.300 4.341 4.341 4.341 . 0 0 "[ ]" 3 112 1 19 PHE QE 2 14 ALA MB 3.000 . 6.800 2.298 2.298 2.298 . 0 0 "[ ]" 3 113 1 19 PHE HZ 2 14 ALA HA 4.000 . 5.000 3.904 3.904 3.904 . 0 0 "[ ]" 3 114 1 19 PHE HZ 2 14 ALA MB 3.000 . 4.800 2.071 2.071 2.071 . 0 0 "[ ]" 3 115 1 32 LEU QD 2 17 PHE QD 3.000 . 7.700 3.070 3.070 3.070 . 0 0 "[ ]" 3 116 1 32 LEU QD 2 17 PHE QE 3.000 . 7.700 4.216 4.216 4.216 . 0 0 "[ ]" 3 117 1 27 ILE QG 2 17 PHE QE 2.500 . 5.700 2.884 2.884 2.884 . 0 0 "[ ]" 3 118 1 27 ILE QG 2 17 PHE QD 3.000 . 6.300 2.979 2.979 2.979 . 0 0 "[ ]" 3 119 1 27 ILE MG 2 17 PHE QD 4.000 . 6.800 3.026 3.026 3.026 . 0 0 "[ ]" 3 120 1 63 ILE MG 2 17 PHE QE 2.500 . 6.200 4.139 4.139 4.139 . 0 0 "[ ]" 3 121 1 27 ILE MG 2 17 PHE QE 2.500 . 6.200 3.022 3.022 3.022 . 0 0 "[ ]" 3 122 1 32 LEU QD 2 17 PHE HA 4.000 . 7.400 4.268 4.268 4.268 . 0 0 "[ ]" 3 123 1 27 ILE MG 2 17 PHE HA 4.000 . 6.500 5.659 5.659 5.659 . 0 0 "[ ]" 3 124 1 63 ILE MD 2 17 PHE QE 2.500 . 6.200 2.545 2.545 2.545 . 0 0 "[ ]" 3 125 1 63 ILE QG 2 17 PHE QE 3.000 . 6.300 4.256 4.256 4.256 . 0 0 "[ ]" 3 126 1 55 VAL QG 2 17 PHE QD 2.500 . 7.100 3.956 3.956 3.956 . 0 0 "[ ]" 3 127 1 55 VAL QG 2 17 PHE QE 2.500 . 7.100 2.210 2.210 2.210 . 0 0 "[ ]" 3 128 1 55 VAL QG 2 17 PHE HZ 4.000 . 7.400 2.577 2.577 2.577 . 0 0 "[ ]" 3 129 1 52 ILE MG 2 17 PHE QE 4.000 . 8.500 4.908 4.908 4.908 . 0 0 "[ ]" 3 130 1 52 ILE MD 2 17 PHE QE 3.000 . 6.800 4.592 4.592 4.592 . 0 0 "[ ]" 3 131 1 55 VAL QG 2 20 ILE MD 3.000 . 7.200 2.186 2.186 2.186 . 0 0 "[ ]" 3 stop_ save_ save_distance_constraint_statistics_4 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 4 _Distance_constraint_stats_list.Constraint_count 118 _Distance_constraint_stats_list.Viol_count 18 _Distance_constraint_stats_list.Viol_total 4.930 _Distance_constraint_stats_list.Viol_max 1.122 _Distance_constraint_stats_list.Viol_rms 0.1734 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0418 _Distance_constraint_stats_list.Viol_average_violations_only 0.2739 _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 7 GLU 0.000 0.000 . 0 "[ ]" 1 8 GLN 0.000 0.000 . 0 "[ ]" 1 9 ILE 0.000 0.000 . 0 "[ ]" 1 10 ALA 0.000 0.000 . 0 "[ ]" 1 11 GLU 0.000 0.000 . 0 "[ ]" 1 12 PHE 0.000 0.000 . 0 "[ ]" 1 13 LYS 0.000 0.000 . 0 "[ ]" 1 14 GLU 0.000 0.000 . 0 "[ ]" 1 15 ALA 0.000 0.000 . 0 "[ ]" 1 16 PHE 0.000 0.000 . 0 "[ ]" 1 17 SER 0.000 0.000 . 0 "[ ]" 1 18 LEU 0.000 0.000 . 0 "[ ]" 1 19 PHE 0.000 0.000 . 0 "[ ]" 1 20 ASP 0.000 0.000 . 0 "[ ]" 1 25 GLY 0.000 0.000 . 0 "[ ]" 1 27 ILE 0.399 0.216 1 0 "[ ]" 1 29 THR 0.000 0.000 . 0 "[ ]" 1 30 LYS 0.000 0.000 . 0 "[ ]" 1 31 GLU 0.040 0.040 1 0 "[ ]" 1 32 LEU 0.000 0.000 . 0 "[ ]" 1 33 GLY 0.000 0.000 . 0 "[ ]" 1 34 THR 0.000 0.000 . 0 "[ ]" 1 35 VAL 0.040 0.040 1 0 "[ ]" 1 36 MET 0.000 0.000 . 0 "[ ]" 1 37 ARG 0.000 0.000 . 0 "[ ]" 1 38 SER 0.000 0.000 . 0 "[ ]" 1 45 GLU 0.000 0.000 . 0 "[ ]" 1 46 ALA 0.000 0.000 . 0 "[ ]" 1 47 GLU 0.000 0.000 . 0 "[ ]" 1 48 LEU 0.000 0.000 . 0 "[ ]" 1 49 GLN 0.000 0.000 . 0 "[ ]" 1 50 ASP 0.000 0.000 . 0 "[ ]" 1 51 MET 0.000 0.000 . 0 "[ ]" 1 52 ILE 0.000 0.000 . 0 "[ ]" 1 53 ASN 0.000 0.000 . 0 "[ ]" 1 54 GLU 0.000 0.000 . 0 "[ ]" 1 56 ASP 1.905 1.122 1 1 [+] 1 61 GLY 1.905 1.122 1 1 [+] 1 63 ILE 0.399 0.216 1 0 "[ ]" 1 65 PHE 0.000 0.000 . 0 "[ ]" 1 66 PRO 0.000 0.000 . 0 "[ ]" 1 67 GLU 0.000 0.000 . 0 "[ ]" 1 68 PHE 0.005 0.005 1 0 "[ ]" 1 69 LEU 0.000 0.000 . 0 "[ ]" 1 70 THR 0.000 0.000 . 0 "[ ]" 1 71 MET 0.000 0.000 . 0 "[ ]" 1 72 MET 0.005 0.005 1 0 "[ ]" 1 73 ALA 0.000 0.000 . 0 "[ ]" 1 74 ARG 0.000 0.000 . 0 "[ ]" 1 82 GLU 0.000 0.000 . 0 "[ ]" 1 83 GLU 0.000 0.000 . 0 "[ ]" 1 84 GLU 0.000 0.000 . 0 "[ ]" 1 85 ILE 0.000 0.000 . 0 "[ ]" 1 86 ARG 0.000 0.000 . 0 "[ ]" 1 87 GLU 0.000 0.000 . 0 "[ ]" 1 88 ALA 0.017 0.017 1 0 "[ ]" 1 89 PHE 0.000 0.000 . 0 "[ ]" 1 90 ARG 0.000 0.000 . 0 "[ ]" 1 91 VAL 0.000 0.000 . 0 "[ ]" 1 92 PHE 0.017 0.017 1 0 "[ ]" 1 93 ASP 0.488 0.272 1 0 "[ ]" 1 98 GLY 0.488 0.272 1 0 "[ ]" 1 100 ILE 0.141 0.104 1 0 "[ ]" 1 102 ALA 0.009 0.009 1 0 "[ ]" 1 103 ALA 0.000 0.000 . 0 "[ ]" 1 104 GLU 0.065 0.065 1 0 "[ ]" 1 105 LEU 0.000 0.000 . 0 "[ ]" 1 106 ARG 0.009 0.009 1 0 "[ ]" 1 107 HIS 0.027 0.027 1 0 "[ ]" 1 108 VAL 0.065 0.065 1 0 "[ ]" 1 109 MET 0.000 0.000 . 0 "[ ]" 1 110 THR 0.000 0.000 . 0 "[ ]" 1 111 ASN 0.027 0.027 1 0 "[ ]" 1 118 ASP 0.000 0.000 . 0 "[ ]" 1 119 GLU 0.000 0.000 . 0 "[ ]" 1 120 GLU 0.000 0.000 . 0 "[ ]" 1 121 VAL 0.000 0.000 . 0 "[ ]" 1 122 ASP 0.000 0.000 . 0 "[ ]" 1 123 GLU 0.000 0.000 . 0 "[ ]" 1 124 MET 0.000 0.000 . 0 "[ ]" 1 125 ILE 0.000 0.000 . 0 "[ ]" 1 126 ARG 0.000 0.000 . 0 "[ ]" 1 127 GLU 0.000 0.000 . 0 "[ ]" 1 129 ASP 1.794 0.962 1 1 [+] 1 134 GLY 1.794 0.962 1 1 [+] 1 136 VAL 0.141 0.104 1 0 "[ ]" 1 138 TYR 0.000 0.000 . 0 "[ ]" 1 139 GLU 0.000 0.000 . 0 "[ ]" 1 140 GLU 0.023 0.023 1 0 "[ ]" 1 141 PHE 0.019 0.019 1 0 "[ ]" 1 142 VAL 0.000 0.000 . 0 "[ ]" 1 143 THR 0.000 0.000 . 0 "[ ]" 1 144 MET 0.023 0.023 1 0 "[ ]" 1 145 MET 0.019 0.019 1 0 "[ ]" 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 7 GLU O 1 11 GLU N 2.800 2.400 3.300 3.059 3.059 3.059 . 0 0 "[ ]" 4 2 1 7 GLU O 1 11 GLU H 1.800 . 2.300 2.236 2.236 2.236 . 0 0 "[ ]" 4 3 1 8 GLN O 1 12 PHE N 2.800 2.400 3.300 3.085 3.085 3.085 . 0 0 "[ ]" 4 4 1 8 GLN O 1 12 PHE H 1.800 . 2.300 2.156 2.156 2.156 . 0 0 "[ ]" 4 5 1 9 ILE O 1 13 LYS N 2.800 2.400 3.300 3.086 3.086 3.086 . 0 0 "[ ]" 4 6 1 9 ILE O 1 13 LYS H 1.800 . 2.300 2.126 2.126 2.126 . 0 0 "[ ]" 4 7 1 10 ALA O 1 14 GLU N 2.800 2.400 3.300 3.055 3.055 3.055 . 0 0 "[ ]" 4 8 1 10 ALA O 1 14 GLU H 1.800 . 2.300 2.090 2.090 2.090 . 0 0 "[ ]" 4 9 1 11 GLU O 1 15 ALA N 2.800 2.400 3.300 3.146 3.146 3.146 . 0 0 "[ ]" 4 10 1 11 GLU O 1 15 ALA H 1.800 . 2.300 2.236 2.236 2.236 . 0 0 "[ ]" 4 11 1 12 PHE O 1 16 PHE N 2.800 2.400 3.300 2.961 2.961 2.961 . 0 0 "[ ]" 4 12 1 12 PHE O 1 16 PHE H 1.800 . 2.300 2.073 2.073 2.073 . 0 0 "[ ]" 4 13 1 13 LYS O 1 17 SER N 2.800 2.400 3.300 2.839 2.839 2.839 . 0 0 "[ ]" 4 14 1 13 LYS O 1 17 SER H 1.800 . 2.300 1.926 1.926 1.926 . 0 0 "[ ]" 4 15 1 14 GLU O 1 18 LEU N 2.800 2.400 3.300 2.842 2.842 2.842 . 0 0 "[ ]" 4 16 1 14 GLU O 1 18 LEU H 1.800 . 2.300 2.130 2.130 2.130 . 0 0 "[ ]" 4 17 1 15 ALA O 1 19 PHE N 2.800 2.400 3.300 2.731 2.731 2.731 . 0 0 "[ ]" 4 18 1 15 ALA O 1 19 PHE H 1.800 . 2.300 1.788 1.788 1.788 . 0 0 "[ ]" 4 19 1 29 THR O 1 33 GLY N 2.800 2.400 3.300 2.747 2.747 2.747 . 0 0 "[ ]" 4 20 1 29 THR O 1 33 GLY H 1.800 . 2.300 1.878 1.878 1.878 . 0 0 "[ ]" 4 21 1 30 LYS O 1 34 THR N 2.800 2.400 3.300 2.952 2.952 2.952 . 0 0 "[ ]" 4 22 1 30 LYS O 1 34 THR H 1.800 . 2.300 2.016 2.016 2.016 . 0 0 "[ ]" 4 23 1 31 GLU O 1 35 VAL N 2.800 2.400 3.300 3.260 3.260 3.260 . 0 0 "[ ]" 4 24 1 31 GLU O 1 35 VAL H 1.800 . 2.300 2.340 2.340 2.340 0.040 1 0 "[ ]" 4 25 1 32 LEU O 1 36 MET N 2.800 2.400 3.300 2.619 2.619 2.619 . 0 0 "[ ]" 4 26 1 32 LEU O 1 36 MET H 1.800 . 2.300 1.872 1.872 1.872 . 0 0 "[ ]" 4 27 1 33 GLY O 1 37 ARG N 2.800 2.400 3.300 2.650 2.650 2.650 . 0 0 "[ ]" 4 28 1 33 GLY O 1 37 ARG H 1.800 . 2.300 1.770 1.770 1.770 . 0 0 "[ ]" 4 29 1 34 THR O 1 38 SER N 2.800 2.400 3.300 3.005 3.005 3.005 . 0 0 "[ ]" 4 30 1 34 THR O 1 38 SER H 1.800 . 2.300 2.103 2.103 2.103 . 0 0 "[ ]" 4 31 1 45 GLU O 1 49 GLN N 2.800 2.400 3.300 2.923 2.923 2.923 . 0 0 "[ ]" 4 32 1 45 GLU O 1 49 GLN H 1.800 . 2.300 1.953 1.953 1.953 . 0 0 "[ ]" 4 33 1 46 ALA O 1 50 ASP N 2.800 2.400 3.300 2.896 2.896 2.896 . 0 0 "[ ]" 4 34 1 46 ALA O 1 50 ASP H 1.800 . 2.300 1.981 1.981 1.981 . 0 0 "[ ]" 4 35 1 47 GLU O 1 51 MET N 2.800 2.400 3.300 2.886 2.886 2.886 . 0 0 "[ ]" 4 36 1 47 GLU O 1 51 MET H 1.800 . 2.300 2.005 2.005 2.005 . 0 0 "[ ]" 4 37 1 48 LEU O 1 52 ILE N 2.800 2.400 3.300 3.036 3.036 3.036 . 0 0 "[ ]" 4 38 1 48 LEU O 1 52 ILE H 1.800 . 2.300 2.222 2.222 2.222 . 0 0 "[ ]" 4 39 1 49 GLN O 1 53 ASN N 2.800 2.400 3.300 3.058 3.058 3.058 . 0 0 "[ ]" 4 40 1 49 GLN O 1 53 ASN H 1.800 . 2.300 2.213 2.213 2.213 . 0 0 "[ ]" 4 41 1 50 ASP O 1 54 GLU N 2.800 2.400 3.300 3.085 3.085 3.085 . 0 0 "[ ]" 4 42 1 50 ASP O 1 54 GLU H 1.800 . 2.300 2.233 2.233 2.233 . 0 0 "[ ]" 4 43 1 65 PHE O 1 69 LEU N 2.800 2.400 3.300 2.902 2.902 2.902 . 0 0 "[ ]" 4 44 1 65 PHE O 1 69 LEU H 1.800 . 2.300 1.969 1.969 1.969 . 0 0 "[ ]" 4 45 1 66 PRO O 1 70 THR N 2.800 2.400 3.300 2.724 2.724 2.724 . 0 0 "[ ]" 4 46 1 66 PRO O 1 70 THR H 1.800 . 2.300 1.817 1.817 1.817 . 0 0 "[ ]" 4 47 1 67 GLU O 1 71 MET N 2.800 2.400 3.300 2.675 2.675 2.675 . 0 0 "[ ]" 4 48 1 67 GLU O 1 71 MET H 1.800 . 2.300 1.815 1.815 1.815 . 0 0 "[ ]" 4 49 1 68 PHE O 1 72 MET N 2.800 2.400 3.300 3.146 3.146 3.146 . 0 0 "[ ]" 4 50 1 68 PHE O 1 72 MET H 1.800 . 2.300 2.305 2.305 2.305 0.005 1 0 "[ ]" 4 51 1 69 LEU O 1 73 ALA N 2.800 2.400 3.300 2.616 2.616 2.616 . 0 0 "[ ]" 4 52 1 69 LEU O 1 73 ALA H 1.800 . 2.300 1.662 1.662 1.662 . 0 0 "[ ]" 4 53 1 70 THR O 1 74 ARG N 2.800 2.400 3.300 2.520 2.520 2.520 . 0 0 "[ ]" 4 54 1 70 THR O 1 74 ARG H 1.800 . 2.300 1.674 1.674 1.674 . 0 0 "[ ]" 4 55 1 82 GLU O 1 86 ARG N 2.800 2.500 3.300 2.698 2.698 2.698 . 0 0 "[ ]" 4 56 1 82 GLU O 1 86 ARG H 1.800 . 2.300 1.739 1.739 1.739 . 0 0 "[ ]" 4 57 1 83 GLU O 1 87 GLU N 2.800 2.400 3.300 2.930 2.930 2.930 . 0 0 "[ ]" 4 58 1 83 GLU O 1 87 GLU H 1.800 . 2.300 1.976 1.976 1.976 . 0 0 "[ ]" 4 59 1 84 GLU O 1 88 ALA N 2.800 2.400 3.300 2.921 2.921 2.921 . 0 0 "[ ]" 4 60 1 84 GLU O 1 88 ALA H 1.800 . 2.300 1.945 1.945 1.945 . 0 0 "[ ]" 4 61 1 85 ILE O 1 89 PHE N 2.800 2.400 3.300 2.906 2.906 2.906 . 0 0 "[ ]" 4 62 1 85 ILE O 1 89 PHE H 1.800 . 2.300 1.974 1.974 1.974 . 0 0 "[ ]" 4 63 1 86 ARG O 1 90 ARG N 2.800 2.400 3.300 3.012 3.012 3.012 . 0 0 "[ ]" 4 64 1 86 ARG O 1 90 ARG H 1.800 . 2.300 2.073 2.073 2.073 . 0 0 "[ ]" 4 65 1 87 GLU O 1 91 VAL N 2.800 2.400 3.300 3.087 3.087 3.087 . 0 0 "[ ]" 4 66 1 87 GLU O 1 91 VAL H 1.800 . 2.300 2.139 2.139 2.139 . 0 0 "[ ]" 4 67 1 88 ALA O 1 92 PHE N 2.800 2.400 3.300 3.268 3.268 3.268 . 0 0 "[ ]" 4 68 1 88 ALA O 1 92 PHE H 1.800 . 2.300 2.317 2.317 2.317 0.017 1 0 "[ ]" 4 69 1 89 PHE O 1 93 ASP N 2.800 2.400 3.300 2.891 2.891 2.891 . 0 0 "[ ]" 4 70 1 89 PHE O 1 93 ASP H 1.800 . 2.300 1.980 1.980 1.980 . 0 0 "[ ]" 4 71 1 102 ALA O 1 106 ARG N 2.800 2.400 3.300 3.214 3.214 3.214 . 0 0 "[ ]" 4 72 1 102 ALA O 1 106 ARG H 1.800 . 2.300 2.309 2.309 2.309 0.009 1 0 "[ ]" 4 73 1 103 ALA O 1 107 HIS N 2.800 2.400 3.300 3.072 3.072 3.072 . 0 0 "[ ]" 4 74 1 103 ALA O 1 107 HIS H 1.800 . 2.300 2.231 2.231 2.231 . 0 0 "[ ]" 4 75 1 104 GLU O 1 108 VAL N 2.800 2.400 3.300 3.279 3.279 3.279 . 0 0 "[ ]" 4 76 1 104 GLU O 1 108 VAL H 1.800 . 2.300 2.365 2.365 2.365 0.065 1 0 "[ ]" 4 77 1 105 LEU O 1 109 MET N 2.800 2.400 3.300 2.721 2.721 2.721 . 0 0 "[ ]" 4 78 1 105 LEU O 1 109 MET H 1.800 . 2.300 1.761 1.761 1.761 . 0 0 "[ ]" 4 79 1 106 ARG O 1 110 THR N 2.800 2.400 3.300 2.933 2.933 2.933 . 0 0 "[ ]" 4 80 1 106 ARG O 1 110 THR H 1.800 . 2.300 2.090 2.090 2.090 . 0 0 "[ ]" 4 81 1 107 HIS O 1 111 ASN N 2.800 2.400 3.300 3.126 3.126 3.126 . 0 0 "[ ]" 4 82 1 107 HIS O 1 111 ASN H 1.800 . 2.300 2.327 2.327 2.327 0.027 1 0 "[ ]" 4 83 1 118 ASP O 1 122 ASP N 2.800 2.400 3.300 3.125 3.125 3.125 . 0 0 "[ ]" 4 84 1 118 ASP O 1 122 ASP H 1.800 . 2.300 2.211 2.211 2.211 . 0 0 "[ ]" 4 85 1 119 GLU O 1 123 GLU N 2.800 2.400 3.300 2.886 2.886 2.886 . 0 0 "[ ]" 4 86 1 119 GLU O 1 123 GLU H 1.800 . 2.300 1.937 1.937 1.937 . 0 0 "[ ]" 4 87 1 120 GLU O 1 124 MET N 2.800 2.400 3.300 2.865 2.865 2.865 . 0 0 "[ ]" 4 88 1 120 GLU O 1 124 MET H 1.800 . 2.300 1.991 1.991 1.991 . 0 0 "[ ]" 4 89 1 121 VAL O 1 125 ILE N 2.800 2.400 3.300 2.741 2.741 2.741 . 0 0 "[ ]" 4 90 1 121 VAL O 1 125 ILE H 1.800 . 2.300 1.799 1.799 1.799 . 0 0 "[ ]" 4 91 1 122 ASP O 1 126 ARG N 2.800 2.400 3.300 2.944 2.944 2.944 . 0 0 "[ ]" 4 92 1 122 ASP O 1 126 ARG H 1.800 . 2.300 1.992 1.992 1.992 . 0 0 "[ ]" 4 93 1 123 GLU O 1 127 GLU N 2.800 2.400 3.300 3.249 3.249 3.249 . 0 0 "[ ]" 4 94 1 123 GLU O 1 127 GLU H 1.800 . 2.300 2.292 2.292 2.292 . 0 0 "[ ]" 4 95 1 138 TYR O 1 142 VAL N 2.800 2.400 3.300 2.890 2.890 2.890 . 0 0 "[ ]" 4 96 1 138 TYR O 1 142 VAL H 1.800 . 2.300 2.007 2.007 2.007 . 0 0 "[ ]" 4 97 1 139 GLU O 1 143 THR N 2.800 2.400 3.300 2.769 2.769 2.769 . 0 0 "[ ]" 4 98 1 139 GLU O 1 143 THR H 1.800 . 2.300 1.812 1.812 1.812 . 0 0 "[ ]" 4 99 1 140 GLU O 1 144 MET N 2.800 2.400 3.300 3.050 3.050 3.050 . 0 0 "[ ]" 4 100 1 140 GLU O 1 144 MET H 1.800 . 2.300 2.323 2.323 2.323 0.023 1 0 "[ ]" 4 101 1 141 PHE O 1 145 MET N 2.800 2.400 3.300 3.250 3.250 3.250 . 0 0 "[ ]" 4 102 1 141 PHE O 1 145 MET H 1.800 . 2.300 2.319 2.319 2.319 0.019 1 0 "[ ]" 4 103 1 27 ILE N 1 63 ILE O 2.800 2.400 3.600 3.514 3.514 3.514 . 0 0 "[ ]" 4 104 1 27 ILE H 1 63 ILE O 1.800 . 2.600 2.816 2.816 2.816 0.216 1 0 "[ ]" 4 105 1 27 ILE O 1 63 ILE N 2.800 2.400 3.600 3.524 3.524 3.524 . 0 0 "[ ]" 4 106 1 27 ILE O 1 63 ILE H 1.800 . 2.600 2.783 2.783 2.783 0.183 1 0 "[ ]" 4 107 1 100 ILE N 1 136 VAL O 2.800 2.400 3.600 3.103 3.103 3.103 . 0 0 "[ ]" 4 108 1 100 ILE H 1 136 VAL O 1.800 . 2.600 2.216 2.216 2.216 . 0 0 "[ ]" 4 109 1 100 ILE O 1 136 VAL N 2.800 2.400 3.600 3.637 3.637 3.637 0.037 1 0 "[ ]" 4 110 1 100 ILE O 1 136 VAL H 1.800 . 2.600 2.704 2.704 2.704 0.104 1 0 "[ ]" 4 111 1 20 ASP OD1 1 25 GLY N 2.800 2.400 3.600 3.379 3.379 3.379 . 0 0 "[ ]" 4 112 1 20 ASP OD1 1 25 GLY H 1.800 . 2.600 2.462 2.462 2.462 . 0 0 "[ ]" 4 113 1 56 ASP OD1 1 61 GLY N 2.800 2.400 3.600 4.383 4.383 4.383 0.783 1 1 [+] 4 114 1 56 ASP OD1 1 61 GLY H 1.800 . 2.600 3.722 3.722 3.722 1.122 1 1 [+] 4 115 1 93 ASP OD1 1 98 GLY N 2.800 2.400 3.600 3.817 3.817 3.817 0.217 1 0 "[ ]" 4 116 1 93 ASP OD1 1 98 GLY H 1.800 . 2.600 2.872 2.872 2.872 0.272 1 0 "[ ]" 4 117 1 129 ASP OD1 1 134 GLY N 2.800 2.400 3.600 4.432 4.432 4.432 0.832 1 1 [+] 4 118 1 129 ASP OD1 1 134 GLY H 1.800 . 2.600 3.562 3.562 3.562 0.962 1 1 [+] 4 stop_ save_ save_distance_constraint_statistics_5 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 5 _Distance_constraint_stats_list.Constraint_count 26 _Distance_constraint_stats_list.Viol_count 4 _Distance_constraint_stats_list.Viol_total 0.186 _Distance_constraint_stats_list.Viol_max 0.087 _Distance_constraint_stats_list.Viol_rms 0.0203 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0071 _Distance_constraint_stats_list.Viol_average_violations_only 0.0465 _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 2 4 TRP 0.000 0.000 . 0 "[ ]" 2 5 LYS 0.000 0.000 . 0 "[ ]" 2 6 LYS 0.000 0.000 . 0 "[ ]" 2 7 ASN 0.000 0.000 . 0 "[ ]" 2 8 PHE 0.000 0.000 . 0 "[ ]" 2 9 ILE 0.000 0.000 . 0 "[ ]" 2 10 ALA 0.131 0.087 1 0 "[ ]" 2 11 VAL 0.000 0.000 . 0 "[ ]" 2 12 SER 0.000 0.000 . 0 "[ ]" 2 13 ALA 0.000 0.000 . 0 "[ ]" 2 14 ALA 0.173 0.087 1 0 "[ ]" 2 15 ASN 0.013 0.013 1 0 "[ ]" 2 16 ARG 0.000 0.000 . 0 "[ ]" 2 17 PHE 0.000 0.000 . 0 "[ ]" 2 18 LYS 0.042 0.042 1 0 "[ ]" 2 19 LYS 0.013 0.013 1 0 "[ ]" 2 20 ILE 0.000 0.000 . 0 "[ ]" 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 2 4 TRP O 2 8 PHE N 2.800 2.400 3.300 2.628 2.628 2.628 . 0 0 "[ ]" 5 2 2 4 TRP O 2 8 PHE H 1.800 . 2.300 1.752 1.752 1.752 . 0 0 "[ ]" 5 3 2 5 LYS O 2 9 ILE N 2.800 2.400 3.300 2.499 2.499 2.499 . 0 0 "[ ]" 5 4 2 5 LYS O 2 9 ILE H 1.800 . 2.300 1.644 1.644 1.644 . 0 0 "[ ]" 5 5 2 6 LYS O 2 10 ALA N 2.800 2.400 3.300 2.999 2.999 2.999 . 0 0 "[ ]" 5 6 2 6 LYS O 2 10 ALA H 1.800 . 2.300 2.128 2.128 2.128 . 0 0 "[ ]" 5 7 2 7 ASN O 2 11 VAL N 2.800 2.400 3.300 3.160 3.160 3.160 . 0 0 "[ ]" 5 8 2 7 ASN O 2 11 VAL H 1.800 . 2.300 2.190 2.190 2.190 . 0 0 "[ ]" 5 9 2 8 PHE O 2 12 SER N 2.800 2.400 3.300 2.619 2.619 2.619 . 0 0 "[ ]" 5 10 2 8 PHE O 2 12 SER H 1.800 . 2.300 1.776 1.776 1.776 . 0 0 "[ ]" 5 11 2 9 ILE O 2 13 ALA N 2.800 2.400 3.300 2.818 2.818 2.818 . 0 0 "[ ]" 5 12 2 9 ILE O 2 13 ALA H 1.800 . 2.300 1.967 1.967 1.967 . 0 0 "[ ]" 5 13 2 10 ALA O 2 14 ALA N 2.800 2.400 3.300 3.344 3.344 3.344 0.044 1 0 "[ ]" 5 14 2 10 ALA O 2 14 ALA H 1.800 . 2.300 2.387 2.387 2.387 0.087 1 0 "[ ]" 5 15 2 11 VAL O 2 15 ASN N 2.800 2.400 3.300 2.676 2.676 2.676 . 0 0 "[ ]" 5 16 2 11 VAL O 2 15 ASN H 1.800 . 2.300 1.744 1.744 1.744 . 0 0 "[ ]" 5 17 2 12 SER O 2 16 ARG N 2.800 2.400 3.300 2.778 2.778 2.778 . 0 0 "[ ]" 5 18 2 12 SER O 2 16 ARG H 1.800 . 2.300 1.900 1.900 1.900 . 0 0 "[ ]" 5 19 2 13 ALA O 2 17 PHE N 2.800 2.400 3.300 3.045 3.045 3.045 . 0 0 "[ ]" 5 20 2 13 ALA O 2 17 PHE H 1.800 . 2.300 2.199 2.199 2.199 . 0 0 "[ ]" 5 21 2 14 ALA O 2 18 LYS N 2.800 2.400 3.300 3.057 3.057 3.057 . 0 0 "[ ]" 5 22 2 14 ALA O 2 18 LYS H 1.800 . 2.300 2.342 2.342 2.342 0.042 1 0 "[ ]" 5 23 2 15 ASN O 2 19 LYS N 2.800 2.400 3.300 3.175 3.175 3.175 . 0 0 "[ ]" 5 24 2 15 ASN O 2 19 LYS H 1.800 . 2.300 2.313 2.313 2.313 0.013 1 0 "[ ]" 5 25 2 16 ARG O 2 20 ILE N 2.800 2.400 3.300 2.785 2.785 2.785 . 0 0 "[ ]" 5 26 2 16 ARG O 2 20 ILE H 1.800 . 2.300 1.949 1.949 1.949 . 0 0 "[ ]" 5 stop_ save_
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