NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
470881 | 1ap8 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ap8 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 10 _Distance_constraint_stats_list.Viol_count 24 _Distance_constraint_stats_list.Viol_total 22.994 _Distance_constraint_stats_list.Viol_max 0.093 _Distance_constraint_stats_list.Viol_rms 0.0174 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0057 _Distance_constraint_stats_list.Viol_average_violations_only 0.0479 _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 46 TRP 0.000 0.000 . 0 "[ . 1 . 2]" 1 58 TRP 1.150 0.093 6 0 "[ . 1 . 2]" 1 104 TRP 0.000 0.000 . 0 "[ . 1 . 2]" 1 105 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 166 TRP 0.000 0.000 . 0 "[ . 1 . 2]" 1 202 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 2 1 M7G 1.150 0.093 6 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 104 TRP QB 1 105 GLU H 5.000 . 5.500 3.309 3.140 3.475 . 0 0 "[ . 1 . 2]" 1 2 1 104 TRP H 1 105 GLU QB 4.500 . 4.900 4.348 4.251 4.447 . 0 0 "[ . 1 . 2]" 1 3 1 58 TRP HE1 1 105 GLU QB 4.500 . 5.000 4.409 4.223 4.597 . 0 0 "[ . 1 . 2]" 1 4 1 104 TRP HE1 1 202 ALA MB 5.000 . 5.000 4.003 3.886 4.123 . 0 0 "[ . 1 . 2]" 1 5 1 58 TRP HD1 2 1 M7G H1' 4.500 . 5.000 5.052 5.019 5.093 0.093 6 0 "[ . 1 . 2]" 1 6 1 58 TRP HE3 2 1 M7G H1' 4.000 . 4.500 4.067 3.680 4.463 . 0 0 "[ . 1 . 2]" 1 7 1 58 TRP H 2 1 M7G H1' 5.000 . 5.500 5.235 4.687 5.540 0.040 5 0 "[ . 1 . 2]" 1 8 1 58 TRP QB 2 1 M7G H1' 5.000 . 5.500 2.886 2.394 3.166 . 0 0 "[ . 1 . 2]" 1 9 1 104 TRP H 1 166 TRP HH2 5.500 . 6.000 2.486 1.862 2.977 . 0 0 "[ . 1 . 2]" 1 10 1 46 TRP HZ3 1 104 TRP H 5.500 . 6.000 4.752 3.574 5.952 . 0 0 "[ . 1 . 2]" 1 stop_ save_ save_distance_constraint_statistics_2 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 2 _Distance_constraint_stats_list.Constraint_count 2 _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 1 157 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 158 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 2 1 M7G 0.000 0.000 . 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 157 ARG H 2 1 M7G PB 8.000 . 8.500 7.918 6.561 8.449 . 0 0 "[ . 1 . 2]" 2 2 1 158 LYS H 2 1 M7G PB 10.000 . 10.500 7.598 5.869 9.238 . 0 0 "[ . 1 . 2]" 2 stop_ save_ save_distance_constraint_statistics_3 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 3 _Distance_constraint_stats_list.Constraint_count 1732 _Distance_constraint_stats_list.Viol_count 3557 _Distance_constraint_stats_list.Viol_total 6607.497 _Distance_constraint_stats_list.Viol_max 1.969 _Distance_constraint_stats_list.Viol_rms 0.0570 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0095 _Distance_constraint_stats_list.Viol_average_violations_only 0.0929 _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 14 VAL 0.001 0.001 9 0 "[ . 1 . 2]" 1 15 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 16 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 17 ASP 0.001 0.001 9 0 "[ . 1 . 2]" 1 18 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 19 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 20 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 21 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 22 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 24 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 25 THR 0.000 0.000 16 0 "[ . 1 . 2]" 1 26 VAL 0.000 0.000 16 0 "[ . 1 . 2]" 1 27 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 28 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 31 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 32 HIS 0.000 0.000 . 0 "[ . 1 . 2]" 1 33 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 1 34 ASP 1.461 0.094 17 0 "[ . 1 . 2]" 1 35 VAL 3.127 0.250 19 0 "[ . 1 . 2]" 1 36 LYS 2.175 0.250 19 0 "[ . 1 . 2]" 1 37 HIS 3.745 0.222 16 0 "[ . 1 . 2]" 1 38 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 39 LEU 16.996 1.036 13 10 "[** *.* * * +*.- *2]" 1 40 ASN 5.207 0.438 19 0 "[ . 1 . 2]" 1 41 THR 3.295 0.243 3 0 "[ . 1 . 2]" 1 42 LYS 3.724 0.420 3 0 "[ . 1 . 2]" 1 43 TRP 2.892 0.238 2 0 "[ . 1 . 2]" 1 44 THR 5.490 0.242 6 0 "[ . 1 . 2]" 1 45 LEU 4.900 0.236 3 0 "[ . 1 . 2]" 1 46 TRP 1.644 0.148 2 0 "[ . 1 . 2]" 1 47 TYR 1.930 0.145 20 0 "[ . 1 . 2]" 1 48 THR 3.096 0.127 2 0 "[ . 1 . 2]" 1 49 LYS 0.040 0.033 5 0 "[ . 1 . 2]" 1 51 ALA 4.723 0.228 10 0 "[ . 1 . 2]" 1 52 VAL 7.357 0.381 8 0 "[ . 1 . 2]" 1 53 ASP 6.512 0.381 8 0 "[ . 1 . 2]" 1 54 LYS 6.263 0.292 14 0 "[ . 1 . 2]" 1 55 SER 7.902 0.239 2 0 "[ . 1 . 2]" 1 56 GLU 2.478 0.352 3 0 "[ . 1 . 2]" 1 57 SER 10.556 0.299 2 0 "[ . 1 . 2]" 1 58 TRP 2.289 0.177 11 0 "[ . 1 . 2]" 1 59 SER 0.871 0.051 7 0 "[ . 1 . 2]" 1 60 ASP 5.188 0.396 7 0 "[ . 1 . 2]" 1 61 LEU 7.564 0.659 16 3 "[ * 1 -+ 2]" 1 62 LEU 7.380 0.362 2 0 "[ . 1 . 2]" 1 63 ARG 1.421 0.145 20 0 "[ . 1 . 2]" 1 64 PRO 0.445 0.062 16 0 "[ . 1 . 2]" 1 65 VAL 0.657 0.080 6 0 "[ . 1 . 2]" 1 66 THR 3.767 0.236 3 0 "[ . 1 . 2]" 1 67 SER 1.928 0.238 2 0 "[ . 1 . 2]" 1 68 PHE 2.084 0.420 3 0 "[ . 1 . 2]" 1 69 GLN 3.701 0.209 14 0 "[ . 1 . 2]" 1 70 THR 7.119 0.481 3 0 "[ . 1 . 2]" 1 71 VAL 4.751 0.481 3 0 "[ . 1 . 2]" 1 72 GLU 4.747 0.222 16 0 "[ . 1 . 2]" 1 73 GLU 2.220 0.188 6 0 "[ . 1 . 2]" 1 74 PHE 3.594 0.107 13 0 "[ . 1 . 2]" 1 75 TRP 4.663 0.372 4 0 "[ . 1 . 2]" 1 76 ALA 1.168 0.113 16 0 "[ . 1 . 2]" 1 77 ILE 0.000 0.000 . 0 "[ . 1 . 2]" 1 78 ILE 1.685 0.143 9 0 "[ . 1 . 2]" 1 79 GLN 1.362 0.372 4 0 "[ . 1 . 2]" 1 80 ASN 3.495 0.187 2 0 "[ . 1 . 2]" 1 81 ILE 6.907 0.187 2 0 "[ . 1 . 2]" 1 82 PRO 2.631 0.228 2 0 "[ . 1 . 2]" 1 83 GLU 0.289 0.056 7 0 "[ . 1 . 2]" 1 84 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 85 HIS 3.098 0.228 2 0 "[ . 1 . 2]" 1 86 GLU 2.693 0.093 3 0 "[ . 1 . 2]" 1 87 LEU 2.956 0.107 18 0 "[ . 1 . 2]" 1 88 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 89 LEU 3.680 0.794 19 4 "[ . 1 **.- +2]" 1 90 LYS 2.918 0.233 19 0 "[ . 1 . 2]" 1 91 SER 2.406 0.186 18 0 "[ . 1 . 2]" 1 92 ASP 0.721 0.069 15 0 "[ . 1 . 2]" 1 93 TYR 0.761 0.133 2 0 "[ . 1 . 2]" 1 94 HIS 1.467 0.148 2 0 "[ . 1 . 2]" 1 95 VAL 0.171 0.076 13 0 "[ . 1 . 2]" 1 96 PHE 6.141 0.234 3 0 "[ . 1 . 2]" 1 97 ARG 3.351 0.257 13 0 "[ . 1 . 2]" 1 98 ASN 1.685 0.156 1 0 "[ . 1 . 2]" 1 99 ASP 2.481 0.156 1 0 "[ . 1 . 2]" 1 100 VAL 6.159 0.234 3 0 "[ . 1 . 2]" 1 101 ARG 7.680 0.291 7 0 "[ . 1 . 2]" 1 103 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 104 TRP 0.000 0.000 . 0 "[ . 1 . 2]" 1 105 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 106 ASP 4.731 0.332 16 0 "[ . 1 . 2]" 1 107 GLU 1.500 0.101 9 0 "[ . 1 . 2]" 1 108 ALA 4.567 0.332 16 0 "[ . 1 . 2]" 1 109 ASN 0.218 0.177 1 0 "[ . 1 . 2]" 1 110 ALA 3.139 0.311 17 0 "[ . 1 . 2]" 1 111 LYS 0.564 0.097 17 0 "[ . 1 . 2]" 1 112 GLY 1.362 0.311 17 0 "[ . 1 . 2]" 1 113 GLY 5.781 0.315 15 0 "[ . 1 . 2]" 1 114 LYS 0.668 0.070 17 0 "[ . 1 . 2]" 1 115 TRP 2.438 0.135 17 0 "[ . 1 . 2]" 1 116 SER 0.397 0.101 5 0 "[ . 1 . 2]" 1 117 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 1 118 GLN 0.195 0.068 14 0 "[ . 1 . 2]" 1 119 LEU 1.055 0.118 11 0 "[ . 1 . 2]" 1 120 ARG 0.071 0.063 9 0 "[ . 1 . 2]" 1 121 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 122 LYS 0.437 0.090 18 0 "[ . 1 . 2]" 1 123 GLY 0.190 0.043 12 0 "[ . 1 . 2]" 1 124 ALA 2.841 0.227 10 0 "[ . 1 . 2]" 1 125 ASP 1.366 0.198 15 0 "[ . 1 . 2]" 1 126 ILE 0.832 0.069 1 0 "[ . 1 . 2]" 1 127 ASP 0.129 0.052 16 0 "[ . 1 . 2]" 1 128 GLU 0.285 0.096 10 0 "[ . 1 . 2]" 1 129 LEU 39.865 1.969 17 20 [************-***+***] 1 130 TRP 2.858 0.349 7 0 "[ . 1 . 2]" 1 131 LEU 0.234 0.096 10 0 "[ . 1 . 2]" 1 132 ARG 1.645 0.164 11 0 "[ . 1 . 2]" 1 133 THR 1.415 0.130 7 0 "[ . 1 . 2]" 1 134 LEU 0.677 0.101 1 0 "[ . 1 . 2]" 1 135 LEU 1.145 0.112 3 0 "[ . 1 . 2]" 1 136 ALA 1.390 0.130 7 0 "[ . 1 . 2]" 1 137 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 138 ILE 1.121 0.166 2 0 "[ . 1 . 2]" 1 139 GLY 1.812 0.215 1 0 "[ . 1 . 2]" 1 140 GLU 5.329 0.293 1 0 "[ . 1 . 2]" 1 141 THR 5.702 0.293 1 0 "[ . 1 . 2]" 1 142 ILE 0.460 0.258 17 0 "[ . 1 . 2]" 1 143 ASP 1.275 0.122 10 0 "[ . 1 . 2]" 1 144 GLU 0.014 0.011 2 0 "[ . 1 . 2]" 1 145 ASP 0.959 0.249 16 0 "[ . 1 . 2]" 1 146 ASP 0.173 0.066 17 0 "[ . 1 . 2]" 1 147 SER 0.537 0.249 16 0 "[ . 1 . 2]" 1 149 ILE 0.730 0.113 19 0 "[ . 1 . 2]" 1 150 ASN 6.802 0.257 13 0 "[ . 1 . 2]" 1 151 GLY 2.935 0.194 16 0 "[ . 1 . 2]" 1 152 VAL 8.773 0.212 18 0 "[ . 1 . 2]" 1 153 VAL 1.029 0.108 8 0 "[ . 1 . 2]" 1 154 LEU 3.646 0.139 3 0 "[ . 1 . 2]" 1 155 SER 4.231 0.213 6 0 "[ . 1 . 2]" 1 156 ILE 0.046 0.046 20 0 "[ . 1 . 2]" 1 157 ARG 3.881 0.233 19 0 "[ . 1 . 2]" 1 158 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 159 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 160 GLY 0.545 0.065 5 0 "[ . 1 . 2]" 1 161 ASN 2.014 0.178 1 0 "[ . 1 . 2]" 1 162 LYS 3.927 0.213 6 0 "[ . 1 . 2]" 1 163 PHE 0.330 0.068 20 0 "[ . 1 . 2]" 1 164 ALA 1.491 0.083 8 0 "[ . 1 . 2]" 1 165 LEU 3.354 0.203 18 0 "[ . 1 . 2]" 1 166 TRP 9.502 0.243 2 0 "[ . 1 . 2]" 1 167 THR 15.826 0.315 15 0 "[ . 1 . 2]" 1 168 LYS 2.712 0.286 1 0 "[ . 1 . 2]" 1 169 SER 3.439 0.219 18 0 "[ . 1 . 2]" 1 170 GLU 1.424 0.220 6 0 "[ . 1 . 2]" 1 171 ASP 4.742 0.289 16 0 "[ . 1 . 2]" 1 172 LYS 8.138 0.289 16 0 "[ . 1 . 2]" 1 173 GLU 6.354 0.163 4 0 "[ . 1 . 2]" 1 174 PRO 0.887 0.117 6 0 "[ . 1 . 2]" 1 175 LEU 6.802 0.240 10 0 "[ . 1 . 2]" 1 176 LEU 5.089 0.214 18 0 "[ . 1 . 2]" 1 177 ARG 1.187 0.117 6 0 "[ . 1 . 2]" 1 178 ILE 2.198 0.370 1 0 "[ . 1 . 2]" 1 179 GLY 2.543 0.370 1 0 "[ . 1 . 2]" 1 180 GLY 1.153 0.112 14 0 "[ . 1 . 2]" 1 181 LYS 0.882 0.265 15 0 "[ . 1 . 2]" 1 182 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 1 183 LYS 0.690 0.265 15 0 "[ . 1 . 2]" 1 184 GLN 3.016 0.702 19 3 "[ . 1- . * +2]" 1 185 VAL 1.983 0.143 18 0 "[ . 1 . 2]" 1 186 LEU 0.158 0.113 11 0 "[ . 1 . 2]" 1 187 LYS 4.935 0.158 11 0 "[ . 1 . 2]" 1 188 LEU 3.997 0.259 3 0 "[ . 1 . 2]" 1 189 THR 5.692 0.283 10 0 "[ . 1 . 2]" 1 190 ASP 0.102 0.057 14 0 "[ . 1 . 2]" 1 191 ASP 2.146 0.283 10 0 "[ . 1 . 2]" 1 192 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 193 HIS 4.210 0.448 15 0 "[ . 1 . 2]" 1 194 LEU 2.361 0.257 11 0 "[ . 1 . 2]" 1 195 GLU 2.091 0.130 16 0 "[ . 1 . 2]" 1 196 PHE 0.466 0.087 12 0 "[ . 1 . 2]" 1 197 PHE 1.357 0.097 8 0 "[ . 1 . 2]" 1 198 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 199 HIS 1.054 0.144 17 0 "[ . 1 . 2]" 1 200 SER 0.028 0.028 17 0 "[ . 1 . 2]" 1 201 SER 1.726 0.079 6 0 "[ . 1 . 2]" 1 202 ALA 2.675 0.160 18 0 "[ . 1 . 2]" 1 203 ASN 1.291 0.148 6 0 "[ . 1 . 2]" 1 204 GLY 0.073 0.017 11 0 "[ . 1 . 2]" 1 205 ARG 0.031 0.009 4 0 "[ . 1 . 2]" 1 206 HIS 0.835 0.184 7 0 "[ . 1 . 2]" 1 210 SER 3.308 0.128 2 0 "[ . 1 . 2]" 1 211 ILE 6.631 0.283 5 0 "[ . 1 . 2]" 1 212 THR 7.635 0.257 11 0 "[ . 1 . 2]" 1 213 LEU 12.440 0.448 15 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 27 LEU H 1 28 SER H . . 3.500 2.639 1.966 3.354 . 0 0 "[ . 1 . 2]" 3 2 1 34 ASP H 1 35 VAL H . . 3.100 2.630 1.863 3.099 . 0 0 "[ . 1 . 2]" 3 3 1 35 VAL H 1 36 LYS H 2.500 . 3.000 2.803 2.707 3.133 0.133 19 0 "[ . 1 . 2]" 3 4 1 36 LYS H 1 37 HIS H . . 3.200 2.530 1.997 3.369 0.169 14 0 "[ . 1 . 2]" 3 5 1 37 HIS H 1 72 GLU H 5.000 . 5.500 5.610 5.534 5.722 0.222 16 0 "[ . 1 . 2]" 3 6 1 39 LEU H 1 40 ASN H . . 4.100 3.878 1.953 4.266 0.166 4 0 "[ . 1 . 2]" 3 7 1 39 LEU H 1 41 THR H 4.600 . 5.100 4.874 3.875 5.254 0.154 14 0 "[ . 1 . 2]" 3 8 1 40 ASN H 1 41 THR H 3.000 . 3.500 1.859 1.727 2.128 0.073 3 0 "[ . 1 . 2]" 3 9 1 41 THR H 1 42 LYS H 4.600 . 5.000 4.449 4.386 4.567 . 0 0 "[ . 1 . 2]" 3 10 1 41 THR H 1 43 TRP HE1 4.600 2.200 5.100 4.326 2.155 5.141 0.045 3 0 "[ . 1 . 2]" 3 11 1 43 TRP H 1 43 TRP HE1 4.600 . 5.100 4.265 3.912 5.126 0.026 6 0 "[ . 1 . 2]" 3 12 1 43 TRP H 1 67 SER H 6.000 . 6.500 6.587 6.389 6.738 0.238 2 0 "[ . 1 . 2]" 3 13 1 43 TRP H 1 68 PHE H 4.000 . 4.500 3.838 3.449 4.469 . 0 0 "[ . 1 . 2]" 3 14 1 43 TRP H 1 69 GLN QE 6.000 . 6.500 4.518 3.149 5.692 . 0 0 "[ . 1 . 2]" 3 15 1 44 THR H 1 46 TRP H 5.600 . 6.100 5.820 5.582 6.178 0.078 4 0 "[ . 1 . 2]" 3 16 1 44 THR H 1 96 PHE H 2.800 . 3.300 2.714 2.355 3.222 . 0 0 "[ . 1 . 2]" 3 17 1 45 LEU H 1 46 TRP H 4.600 . 5.100 4.126 3.971 4.346 . 0 0 "[ . 1 . 2]" 3 18 1 45 LEU H 1 65 VAL H 4.000 . 4.500 3.245 2.733 3.752 . 0 0 "[ . 1 . 2]" 3 19 1 45 LEU H 1 66 THR H 4.000 . 4.500 4.533 4.452 4.587 0.087 9 0 "[ . 1 . 2]" 3 20 1 46 TRP H 1 47 TYR H . . 4.500 4.284 4.173 4.393 . 0 0 "[ . 1 . 2]" 3 21 1 46 TRP H 1 94 HIS H 3.400 . 3.500 3.553 3.368 3.627 0.127 17 0 "[ . 1 . 2]" 3 22 1 46 TRP H 1 96 PHE H 4.600 . 5.100 4.643 4.169 4.994 . 0 0 "[ . 1 . 2]" 3 23 1 46 TRP HE1 1 96 PHE H 5.600 . 6.100 5.849 5.157 6.140 0.040 3 0 "[ . 1 . 2]" 3 24 1 47 TYR H 1 48 THR H 4.600 . 5.100 4.537 4.498 4.576 . 0 0 "[ . 1 . 2]" 3 25 1 47 TYR H 1 63 ARG H 2.800 . 3.100 3.003 2.611 3.245 0.145 20 0 "[ . 1 . 2]" 3 26 1 48 THR H 1 92 ASP H 2.800 2.200 3.300 3.274 3.083 3.363 0.063 18 0 "[ . 1 . 2]" 3 27 1 51 ALA H 1 52 VAL H . . 3.600 2.080 1.770 3.009 0.030 2 0 "[ . 1 . 2]" 3 28 1 52 VAL H 1 53 ASP H 2.500 . 3.000 2.826 2.497 3.052 0.052 20 0 "[ . 1 . 2]" 3 29 1 53 ASP H 1 54 LYS H . . 3.800 3.049 2.315 4.092 0.292 14 0 "[ . 1 . 2]" 3 30 1 54 LYS H 1 55 SER H 3.600 . 4.000 2.572 1.839 3.210 . 0 0 "[ . 1 . 2]" 3 31 1 55 SER H 1 56 GLU H 2.500 . 3.000 1.883 1.718 2.333 0.082 7 0 "[ . 1 . 2]" 3 32 1 55 SER H 1 57 SER H 4.600 . 5.100 4.815 3.724 5.339 0.239 2 0 "[ . 1 . 2]" 3 33 1 56 GLU H 1 57 SER H . . 3.600 3.368 2.900 3.642 0.042 2 0 "[ . 1 . 2]" 3 34 1 57 SER H 1 61 LEU H . . 4.200 4.322 4.223 4.473 0.273 2 0 "[ . 1 . 2]" 3 35 1 58 TRP H 1 59 SER H 3.300 . 3.500 2.794 2.735 2.852 . 0 0 "[ . 1 . 2]" 3 36 1 59 SER H 1 60 ASP H 2.500 . 3.000 2.364 2.285 2.429 . 0 0 "[ . 1 . 2]" 3 37 1 59 SER H 1 61 LEU H 4.600 . 5.100 3.893 3.715 4.033 . 0 0 "[ . 1 . 2]" 3 38 1 60 ASP H 1 61 LEU H 2.500 . 3.000 2.304 2.145 2.400 . 0 0 "[ . 1 . 2]" 3 39 1 60 ASP H 1 62 LEU H 4.100 . 4.600 4.442 4.320 4.605 0.005 12 0 "[ . 1 . 2]" 3 40 1 61 LEU H 1 62 LEU H 2.500 . 3.000 2.503 2.390 2.669 . 0 0 "[ . 1 . 2]" 3 41 1 65 VAL H 1 66 THR H 3.600 2.200 4.100 4.027 3.948 4.180 0.080 6 0 "[ . 1 . 2]" 3 42 1 66 THR H 1 67 SER H 4.600 . 5.100 4.301 4.105 4.395 . 0 0 "[ . 1 . 2]" 3 43 1 67 SER H 1 68 PHE H 4.600 . 5.100 3.679 3.474 4.171 . 0 0 "[ . 1 . 2]" 3 44 1 68 PHE H 1 69 GLN H 4.600 . 5.000 4.411 4.066 4.486 . 0 0 "[ . 1 . 2]" 3 45 1 69 GLN H 1 70 THR H 3.000 . 3.500 2.868 1.967 3.488 . 0 0 "[ . 1 . 2]" 3 46 1 69 GLN QE 1 70 THR H 5.600 . 6.100 5.312 4.350 5.735 . 0 0 "[ . 1 . 2]" 3 47 1 70 THR H 1 71 VAL H . . 4.100 4.190 3.866 4.346 0.246 16 0 "[ . 1 . 2]" 3 48 1 71 VAL H 1 72 GLU H 2.500 . 3.000 2.001 1.812 2.648 . 0 0 "[ . 1 . 2]" 3 49 1 71 VAL H 1 73 GLU H 4.600 . 5.100 4.116 3.540 4.938 . 0 0 "[ . 1 . 2]" 3 50 1 72 GLU H 1 73 GLU H 2.500 . 3.000 2.976 2.775 3.107 0.107 2 0 "[ . 1 . 2]" 3 51 1 72 GLU H 1 74 PHE H 4.600 . 5.100 4.681 4.324 4.954 . 0 0 "[ . 1 . 2]" 3 52 1 73 GLU H 1 74 PHE H 2.500 . 3.000 2.980 2.744 3.107 0.107 13 0 "[ . 1 . 2]" 3 53 1 73 GLU H 1 75 TRP H 4.100 . 4.600 4.157 4.023 4.405 . 0 0 "[ . 1 . 2]" 3 54 1 74 PHE H 1 75 TRP H 2.600 . 3.100 2.889 2.768 2.956 . 0 0 "[ . 1 . 2]" 3 55 1 74 PHE H 1 76 ALA H 4.100 . 4.600 4.004 3.940 4.081 . 0 0 "[ . 1 . 2]" 3 56 1 75 TRP H 1 76 ALA H 2.500 . 3.000 2.673 2.624 2.713 . 0 0 "[ . 1 . 2]" 3 57 1 75 TRP H 1 77 ILE H 4.600 . 5.100 4.765 4.701 4.868 . 0 0 "[ . 1 . 2]" 3 58 1 75 TRP HE1 1 79 GLN QE 5.600 . 6.100 3.881 3.190 4.617 . 0 0 "[ . 1 . 2]" 3 59 1 78 ILE H 1 80 ASN H 4.100 . 4.600 3.955 3.775 4.119 . 0 0 "[ . 1 . 2]" 3 60 1 79 GLN H 1 80 ASN H 2.500 . 3.000 2.725 2.671 2.778 . 0 0 "[ . 1 . 2]" 3 61 1 79 GLN H 1 80 ASN QD . . 5.200 3.293 3.197 3.387 . 0 0 "[ . 1 . 2]" 3 62 1 79 GLN H 1 81 ILE H 4.600 . 5.100 4.060 3.934 4.167 . 0 0 "[ . 1 . 2]" 3 63 1 80 ASN H 1 80 ASN QD . . 4.100 1.824 1.810 1.838 . 0 0 "[ . 1 . 2]" 3 64 1 80 ASN H 1 81 ILE H 2.500 . 3.000 2.509 2.453 2.590 . 0 0 "[ . 1 . 2]" 3 65 1 80 ASN QD 1 81 ILE H 4.800 . 4.900 4.051 3.944 4.166 . 0 0 "[ . 1 . 2]" 3 66 1 81 ILE H 1 83 GLU H 5.000 2.200 5.500 4.906 4.682 5.268 . 0 0 "[ . 1 . 2]" 3 67 1 83 GLU H 1 85 HIS H 4.600 . 5.100 5.044 4.959 5.110 0.010 13 0 "[ . 1 . 2]" 3 68 1 85 HIS H 1 86 GLU H 2.600 . 3.100 2.375 1.919 2.825 . 0 0 "[ . 1 . 2]" 3 69 1 85 HIS H 1 87 LEU H 4.600 . 5.100 3.970 3.673 4.296 . 0 0 "[ . 1 . 2]" 3 70 1 86 GLU H 1 87 LEU H 2.800 . 3.100 1.899 1.838 2.029 . 0 0 "[ . 1 . 2]" 3 71 1 89 LEU H 1 90 LYS H 4.800 . 5.300 4.606 4.484 4.680 . 0 0 "[ . 1 . 2]" 3 72 1 90 LYS H 1 91 SER H 2.800 . 3.100 2.766 2.634 2.914 . 0 0 "[ . 1 . 2]" 3 73 1 90 LYS H 1 156 ILE H 4.600 . 5.100 4.635 4.455 4.901 . 0 0 "[ . 1 . 2]" 3 74 1 91 SER H 1 92 ASP H 4.600 . 5.000 4.643 4.565 4.696 . 0 0 "[ . 1 . 2]" 3 75 1 91 SER H 1 156 ILE H . . 4.500 2.685 2.557 2.834 . 0 0 "[ . 1 . 2]" 3 76 1 93 TYR H 1 154 LEU H 2.500 . 3.000 2.930 2.473 3.133 0.133 2 0 "[ . 1 . 2]" 3 77 1 95 VAL H 1 96 PHE H 4.600 . 5.100 4.200 3.975 4.447 . 0 0 "[ . 1 . 2]" 3 78 1 95 VAL H 1 152 VAL H 3.700 . 3.800 3.657 3.350 3.876 0.076 13 0 "[ . 1 . 2]" 3 79 1 98 ASN H 1 98 ASN QD . . 5.300 2.401 1.837 4.021 . 0 0 "[ . 1 . 2]" 3 80 1 98 ASN H 1 99 ASP H 2.900 . 3.400 2.770 1.840 3.446 0.046 1 0 "[ . 1 . 2]" 3 81 1 99 ASP H 1 100 VAL H 2.500 . 3.000 2.275 1.794 3.072 0.072 10 0 "[ . 1 . 2]" 3 82 1 100 VAL H 1 101 ARG H 3.300 2.200 3.800 3.894 3.559 4.025 0.225 13 0 "[ . 1 . 2]" 3 83 1 103 GLU H 1 109 ASN QD 5.500 . 6.000 5.307 4.499 5.464 . 0 0 "[ . 1 . 2]" 3 84 1 104 TRP H 1 104 TRP HE1 6.600 . 7.000 6.065 5.949 6.246 . 0 0 "[ . 1 . 2]" 3 85 1 104 TRP H 1 105 GLU H 2.500 . 3.000 2.761 2.651 2.850 . 0 0 "[ . 1 . 2]" 3 86 1 105 GLU H 1 106 ASP H 2.500 . 3.000 2.461 2.334 2.680 . 0 0 "[ . 1 . 2]" 3 87 1 106 ASP H 1 107 GLU H 4.600 . 4.700 1.866 1.762 2.114 0.038 17 0 "[ . 1 . 2]" 3 88 1 106 ASP H 1 108 ALA H 4.600 . 5.100 3.082 2.676 3.906 . 0 0 "[ . 1 . 2]" 3 89 1 106 ASP H 1 109 ASN QD 5.000 . 5.100 3.597 2.378 4.379 . 0 0 "[ . 1 . 2]" 3 90 1 107 GLU H 1 108 ALA H 2.500 . 3.000 2.680 2.555 2.855 . 0 0 "[ . 1 . 2]" 3 91 1 107 GLU H 1 109 ASN H 4.600 . 4.700 3.910 3.665 4.274 . 0 0 "[ . 1 . 2]" 3 92 1 108 ALA H 1 109 ASN H 2.500 . 3.000 2.337 2.147 2.538 . 0 0 "[ . 1 . 2]" 3 93 1 108 ALA H 1 110 ALA H 4.100 . 4.600 3.809 3.572 4.453 . 0 0 "[ . 1 . 2]" 3 94 1 109 ASN H 1 110 ALA H 2.500 . 3.000 2.489 2.123 2.675 . 0 0 "[ . 1 . 2]" 3 95 1 109 ASN H 1 111 LYS H 4.600 . 5.100 4.558 4.125 5.100 . 0 0 "[ . 1 . 2]" 3 96 1 110 ALA H 1 111 LYS H 3.100 . 3.300 2.732 2.471 3.162 . 0 0 "[ . 1 . 2]" 3 97 1 110 ALA H 1 112 GLY H 4.100 . 4.600 3.753 3.368 4.323 . 0 0 "[ . 1 . 2]" 3 98 1 111 LYS H 1 112 GLY H 2.500 . 3.000 2.669 1.787 2.979 0.013 17 0 "[ . 1 . 2]" 3 99 1 111 LYS H 1 113 GLY H 4.600 . 5.100 4.957 4.325 5.134 0.034 1 0 "[ . 1 . 2]" 3 100 1 112 GLY H 1 113 GLY H 2.700 . 3.200 3.053 2.320 3.345 0.145 17 0 "[ . 1 . 2]" 3 101 1 113 GLY H 1 167 THR H 2.500 . 3.000 3.144 2.813 3.315 0.315 15 0 "[ . 1 . 2]" 3 102 1 113 GLY H 1 169 SER H 4.600 . 5.100 4.993 4.126 5.248 0.148 8 0 "[ . 1 . 2]" 3 103 1 114 LYS H 1 197 PHE H 2.800 . 3.300 3.315 3.150 3.370 0.070 17 0 "[ . 1 . 2]" 3 104 1 114 LYS H 1 199 HIS H 4.600 . 5.100 3.981 3.519 4.971 . 0 0 "[ . 1 . 2]" 3 105 1 115 TRP H 1 165 LEU H 2.500 . 3.000 3.012 2.732 3.123 0.123 19 0 "[ . 1 . 2]" 3 106 1 115 TRP HE1 1 178 ILE H 4.600 . 5.100 4.521 3.891 5.128 0.028 11 0 "[ . 1 . 2]" 3 107 1 115 TRP HE1 1 179 GLY H 2.800 . 3.300 2.956 2.574 3.234 . 0 0 "[ . 1 . 2]" 3 108 1 115 TRP HE1 1 180 GLY H 5.000 2.200 5.500 4.837 4.339 5.269 . 0 0 "[ . 1 . 2]" 3 109 1 116 SER H 1 117 PHE H 4.600 . 5.100 4.423 3.932 4.599 . 0 0 "[ . 1 . 2]" 3 110 1 116 SER H 1 195 GLU H 2.700 . 3.200 3.160 2.994 3.301 0.101 5 0 "[ . 1 . 2]" 3 111 1 117 PHE H 1 163 PHE H 2.500 . 3.000 2.431 2.161 2.825 . 0 0 "[ . 1 . 2]" 3 112 1 118 GLN H 1 119 LEU H 4.000 . 4.500 4.397 4.159 4.568 0.068 14 0 "[ . 1 . 2]" 3 113 1 119 LEU H 1 161 ASN H . . 3.900 3.455 3.021 3.907 0.007 17 0 "[ . 1 . 2]" 3 114 1 123 GLY H 1 124 ALA H 2.500 . 3.000 2.532 1.844 3.043 0.043 12 0 "[ . 1 . 2]" 3 115 1 124 ALA H 1 125 ASP H 2.500 . 3.000 2.466 1.837 3.198 0.198 15 0 "[ . 1 . 2]" 3 116 1 124 ALA H 1 126 ILE H 4.100 . 4.600 3.425 2.604 4.242 . 0 0 "[ . 1 . 2]" 3 117 1 125 ASP H 1 126 ILE H 2.500 . 3.000 2.199 1.859 2.763 . 0 0 "[ . 1 . 2]" 3 118 1 125 ASP H 1 127 ASP H 4.100 . 4.600 4.444 4.004 4.652 0.052 16 0 "[ . 1 . 2]" 3 119 1 128 GLU H 1 129 LEU H 2.500 . 3.000 2.362 2.264 2.452 . 0 0 "[ . 1 . 2]" 3 120 1 129 LEU H 1 130 TRP H 2.500 . 3.000 2.462 2.266 2.633 . 0 0 "[ . 1 . 2]" 3 121 1 129 LEU H 1 131 LEU H 4.100 . 4.600 3.844 3.554 4.137 . 0 0 "[ . 1 . 2]" 3 122 1 130 TRP H 1 131 LEU H 2.700 . 3.200 2.597 2.526 2.648 . 0 0 "[ . 1 . 2]" 3 123 1 131 LEU H 1 132 ARG H 2.500 . 3.000 2.673 2.564 2.799 . 0 0 "[ . 1 . 2]" 3 124 1 132 ARG H 1 133 THR H 2.500 . 3.000 2.801 2.731 2.896 . 0 0 "[ . 1 . 2]" 3 125 1 133 THR H 1 134 LEU H 2.500 . 3.000 2.387 2.341 2.440 . 0 0 "[ . 1 . 2]" 3 126 1 135 LEU H 1 136 ALA H 2.500 . 3.000 2.764 2.666 2.900 . 0 0 "[ . 1 . 2]" 3 127 1 136 ALA H 1 137 VAL H 2.500 . 3.000 2.520 2.413 2.737 . 0 0 "[ . 1 . 2]" 3 128 1 136 ALA H 1 138 ILE H 4.600 . 5.100 4.277 3.934 4.724 . 0 0 "[ . 1 . 2]" 3 129 1 137 VAL H 1 138 ILE H 2.700 . 3.100 2.810 2.646 2.971 . 0 0 "[ . 1 . 2]" 3 130 1 137 VAL H 1 139 GLY H 4.600 . 5.100 4.305 3.960 4.747 . 0 0 "[ . 1 . 2]" 3 131 1 138 ILE H 1 139 GLY H 2.600 . 3.100 2.528 2.296 2.855 . 0 0 "[ . 1 . 2]" 3 132 1 139 GLY H 1 141 THR H 4.100 . 4.600 4.552 3.937 4.815 0.215 1 0 "[ . 1 . 2]" 3 133 1 140 GLU H 1 141 THR H 2.500 . 3.000 2.912 1.993 3.060 0.060 5 0 "[ . 1 . 2]" 3 134 1 140 GLU H 1 142 ILE H 4.600 . 5.100 4.629 3.290 5.113 0.013 9 0 "[ . 1 . 2]" 3 135 1 141 THR H 1 142 ILE H 2.500 . 3.000 2.733 1.864 3.086 0.086 11 0 "[ . 1 . 2]" 3 136 1 141 THR H 1 143 ASP H 4.600 . 5.100 4.827 3.899 5.110 0.010 20 0 "[ . 1 . 2]" 3 137 1 142 ILE H 1 143 ASP H 2.500 . 3.000 2.868 2.243 3.013 0.013 20 0 "[ . 1 . 2]" 3 138 1 145 ASP H 1 146 ASP H 2.500 . 3.000 2.560 1.867 3.019 0.019 9 0 "[ . 1 . 2]" 3 139 1 146 ASP H 1 147 SER H 2.700 . 3.100 2.620 1.866 3.133 0.033 17 0 "[ . 1 . 2]" 3 140 1 150 ASN H 1 151 GLY H 2.500 . 3.000 2.025 1.881 2.293 . 0 0 "[ . 1 . 2]" 3 141 1 150 ASN H 1 166 TRP H 4.600 . 5.100 5.069 4.829 5.227 0.127 9 0 "[ . 1 . 2]" 3 142 1 150 ASN H 1 167 THR H 4.600 . 4.900 4.642 4.391 4.961 0.061 4 0 "[ . 1 . 2]" 3 143 1 151 GLY H 1 166 TRP H 3.600 . 3.700 3.756 3.642 3.848 0.148 14 0 "[ . 1 . 2]" 3 144 1 153 VAL H 1 164 ALA H 2.800 . 3.300 3.280 3.009 3.354 0.054 14 0 "[ . 1 . 2]" 3 145 1 155 SER H 1 162 LYS H 3.200 . 3.300 3.423 3.353 3.513 0.213 6 0 "[ . 1 . 2]" 3 146 1 156 ILE H 1 157 ARG H 4.600 . 5.100 4.580 4.551 4.609 . 0 0 "[ . 1 . 2]" 3 147 1 157 ARG H 1 157 ARG HE 4.600 . 5.100 4.819 4.126 5.134 0.034 8 0 "[ . 1 . 2]" 3 148 1 157 ARG H 1 158 LYS H 4.600 . 5.100 3.601 1.820 4.460 . 0 0 "[ . 1 . 2]" 3 149 1 157 ARG H 1 162 LYS H 4.600 2.200 5.000 4.335 4.038 4.641 . 0 0 "[ . 1 . 2]" 3 150 1 159 GLY H 1 160 GLY H 3.500 . 3.900 3.007 2.537 3.615 . 0 0 "[ . 1 . 2]" 3 151 1 160 GLY H 1 161 ASN H . . 3.100 3.080 2.894 3.143 0.043 13 0 "[ . 1 . 2]" 3 152 1 161 ASN H 1 161 ASN QD . . 4.100 3.512 2.677 3.764 . 0 0 "[ . 1 . 2]" 3 153 1 161 ASN H 1 162 LYS H . . 4.500 4.493 4.281 4.678 0.178 1 0 "[ . 1 . 2]" 3 154 1 164 ALA H 1 165 LEU H 4.600 . 4.900 4.333 4.025 4.576 . 0 0 "[ . 1 . 2]" 3 155 1 166 TRP HE1 1 167 THR H 5.600 . 6.100 6.296 6.231 6.343 0.243 2 0 "[ . 1 . 2]" 3 156 1 168 LYS H 1 169 SER H 2.500 . 3.000 2.822 2.184 3.026 0.026 7 0 "[ . 1 . 2]" 3 157 1 169 SER H 1 170 GLU H 2.800 . 3.300 2.985 1.765 3.469 0.169 6 0 "[ . 1 . 2]" 3 158 1 170 GLU H 1 171 ASP H 2.500 . 3.000 2.899 2.128 3.083 0.083 4 0 "[ . 1 . 2]" 3 159 1 171 ASP H 1 172 LYS H . . 3.800 3.884 2.648 4.089 0.289 16 0 "[ . 1 . 2]" 3 160 1 172 LYS H 1 173 GLU H 2.500 . 3.000 2.675 2.495 3.091 0.091 18 0 "[ . 1 . 2]" 3 161 1 173 GLU H 1 175 LEU H 4.100 . 4.600 3.663 3.384 3.818 . 0 0 "[ . 1 . 2]" 3 162 1 175 LEU H 1 176 LEU H 2.800 . 3.100 2.635 2.510 2.784 . 0 0 "[ . 1 . 2]" 3 163 1 176 LEU H 1 177 ARG H 2.500 . 3.000 2.690 2.643 2.759 . 0 0 "[ . 1 . 2]" 3 164 1 177 ARG H 1 178 ILE H 2.500 . 3.000 2.520 2.317 2.698 . 0 0 "[ . 1 . 2]" 3 165 1 178 ILE H 1 179 GLY H 2.500 . 3.000 2.636 2.512 2.795 . 0 0 "[ . 1 . 2]" 3 166 1 178 ILE H 1 180 GLY H 4.600 . 5.100 4.127 3.849 4.414 . 0 0 "[ . 1 . 2]" 3 167 1 179 GLY H 1 180 GLY H 2.500 . 3.000 2.811 2.588 2.949 . 0 0 "[ . 1 . 2]" 3 168 1 179 GLY H 1 181 LYS H 4.600 . 5.100 4.561 4.206 4.930 . 0 0 "[ . 1 . 2]" 3 169 1 180 GLY H 1 181 LYS H 2.500 . 3.000 2.951 2.729 3.017 0.017 6 0 "[ . 1 . 2]" 3 170 1 180 GLY H 1 182 PHE H 4.600 . 5.100 4.248 3.621 4.611 . 0 0 "[ . 1 . 2]" 3 171 1 181 LYS H 1 182 PHE H 2.500 . 3.000 2.801 2.569 2.955 . 0 0 "[ . 1 . 2]" 3 172 1 181 LYS H 1 183 LYS H 4.600 . 5.100 3.918 3.742 4.420 . 0 0 "[ . 1 . 2]" 3 173 1 182 PHE H 1 183 LYS H 2.500 . 3.000 2.684 2.503 2.882 . 0 0 "[ . 1 . 2]" 3 174 1 182 PHE H 1 184 GLN H 4.600 . 5.100 4.584 4.080 4.990 . 0 0 "[ . 1 . 2]" 3 175 1 183 LYS H 1 184 GLN H 2.500 . 3.000 2.672 2.425 2.943 . 0 0 "[ . 1 . 2]" 3 176 1 183 LYS H 1 184 GLN QE 6.600 . 7.100 5.116 3.892 6.196 . 0 0 "[ . 1 . 2]" 3 177 1 184 GLN H 1 184 GLN QE 6.600 2.800 7.100 3.207 2.098 4.283 0.702 19 3 "[ . 1- . * +2]" 3 178 1 184 GLN H 1 185 VAL H 2.500 . 3.000 2.670 2.328 2.992 . 0 0 "[ . 1 . 2]" 3 179 1 184 GLN H 1 186 LEU H 4.600 . 5.100 4.150 3.792 4.401 . 0 0 "[ . 1 . 2]" 3 180 1 184 GLN QE 1 187 LYS H 6.500 3.300 7.000 6.055 5.735 6.170 . 0 0 "[ . 1 . 2]" 3 181 1 184 GLN QE 1 185 VAL H 6.500 2.700 7.000 5.153 4.343 5.675 . 0 0 "[ . 1 . 2]" 3 182 1 184 GLN QE 1 188 LEU H 6.500 3.300 7.000 5.395 4.601 6.044 . 0 0 "[ . 1 . 2]" 3 183 1 185 VAL H 1 186 LEU H 2.500 . 3.000 2.817 2.725 3.046 0.046 11 0 "[ . 1 . 2]" 3 184 1 185 VAL H 1 187 LYS H 4.600 . 5.100 4.015 3.897 4.164 . 0 0 "[ . 1 . 2]" 3 185 1 186 LEU H 1 188 LEU H 4.600 . 5.100 4.050 3.735 4.419 . 0 0 "[ . 1 . 2]" 3 186 1 187 LYS H 1 188 LEU H 2.500 . 3.000 2.643 2.496 2.932 . 0 0 "[ . 1 . 2]" 3 187 1 189 THR H 1 190 ASP H 2.500 . 3.000 2.304 1.841 3.057 0.057 14 0 "[ . 1 . 2]" 3 188 1 191 ASP H 1 193 HIS H 4.600 . 5.100 4.601 2.996 5.152 0.052 19 0 "[ . 1 . 2]" 3 189 1 194 LEU H 1 213 LEU H 3.000 . 3.100 2.894 2.509 3.151 0.051 14 0 "[ . 1 . 2]" 3 190 1 195 GLU H 1 196 PHE H 4.000 . 4.500 4.192 3.766 4.514 0.014 19 0 "[ . 1 . 2]" 3 191 1 196 PHE H 1 211 ILE H . . 3.100 2.576 2.224 3.060 . 0 0 "[ . 1 . 2]" 3 192 1 199 HIS H 1 200 SER H 2.500 . 3.000 2.842 2.746 2.907 . 0 0 "[ . 1 . 2]" 3 193 1 200 SER H 1 201 SER H . . 3.100 2.779 2.671 2.960 . 0 0 "[ . 1 . 2]" 3 194 1 201 SER H 1 203 ASN H 4.600 . 5.100 4.188 3.380 5.109 0.009 18 0 "[ . 1 . 2]" 3 195 1 202 ALA H 1 203 ASN H 3.000 . 3.100 2.910 2.653 3.123 0.023 8 0 "[ . 1 . 2]" 3 196 1 202 ALA H 1 204 GLY H 4.600 . 5.100 4.388 3.549 5.117 0.017 11 0 "[ . 1 . 2]" 3 197 1 203 ASN H 1 203 ASN QD . . 4.900 3.035 1.864 4.384 . 0 0 "[ . 1 . 2]" 3 198 1 203 ASN H 1 204 GLY H 2.500 . 3.000 2.404 1.864 3.015 0.015 15 0 "[ . 1 . 2]" 3 199 1 203 ASN H 1 205 ARG H 4.600 . 5.100 4.104 2.558 5.104 0.004 19 0 "[ . 1 . 2]" 3 200 1 204 GLY H 1 205 ARG H . . 3.200 2.587 1.887 3.209 0.009 4 0 "[ . 1 . 2]" 3 201 1 205 ARG H 1 206 HIS H 4.600 . 5.100 3.724 2.025 4.683 . 0 0 "[ . 1 . 2]" 3 202 1 210 SER H 1 211 ILE H 2.500 . 3.000 2.247 2.021 2.494 . 0 0 "[ . 1 . 2]" 3 203 1 212 THR H 1 213 LEU H 4.000 . 4.500 3.663 3.568 3.875 . 0 0 "[ . 1 . 2]" 3 204 1 39 LEU H 1 39 LEU QD . 2.700 4.400 2.336 1.664 3.340 1.036 13 10 "[** *.* * * +*.- *2]" 3 205 1 45 LEU MD2 1 65 VAL H . . 5.500 4.497 4.256 4.613 . 0 0 "[ . 1 . 2]" 3 206 1 51 ALA H 1 61 LEU MD2 4.200 2.100 4.500 3.244 2.777 3.649 . 0 0 "[ . 1 . 2]" 3 207 1 61 LEU H 1 61 LEU MD2 . 2.800 4.800 2.967 2.141 3.268 0.659 16 3 "[ * 1 -+ 2]" 3 208 1 61 LEU MD2 1 62 LEU H . . 5.000 4.175 3.025 4.359 . 0 0 "[ . 1 . 2]" 3 209 1 62 LEU H 1 62 LEU MD2 . . 4.700 3.841 3.673 4.052 . 0 0 "[ . 1 . 2]" 3 210 1 62 LEU MD2 1 63 ARG H 5.600 . 6.100 3.221 2.268 4.832 . 0 0 "[ . 1 . 2]" 3 211 1 86 GLU H 1 87 LEU MD2 5.600 . 6.100 3.108 2.402 4.110 . 0 0 "[ . 1 . 2]" 3 212 1 87 LEU H 1 87 LEU MD2 . . 4.600 2.391 1.729 3.582 0.071 4 0 "[ . 1 . 2]" 3 213 1 89 LEU H 1 89 LEU MD2 . 2.800 4.800 3.278 2.006 4.057 0.794 19 4 "[ . 1 **.- +2]" 3 214 1 89 LEU MD2 1 158 LYS H 5.600 . 6.100 4.218 2.944 5.052 . 0 0 "[ . 1 . 2]" 3 215 1 115 TRP HE1 1 175 LEU MD2 5.600 . 5.900 3.935 2.916 4.776 . 0 0 "[ . 1 . 2]" 3 216 1 129 LEU H 1 129 LEU QD . 3.800 3.800 1.987 1.831 2.847 1.969 17 20 [************-***+***] 3 217 1 131 LEU MD2 1 135 LEU H . 2.100 4.500 3.438 3.221 3.605 . 0 0 "[ . 1 . 2]" 3 218 1 135 LEU H 1 135 LEU MD1 4.600 3.800 5.000 3.856 3.688 4.151 0.112 3 0 "[ . 1 . 2]" 3 219 1 135 LEU MD1 1 136 ALA H . . 4.100 2.549 2.134 3.664 . 0 0 "[ . 1 . 2]" 3 220 1 154 LEU MD2 1 155 SER H 4.600 2.200 5.100 2.802 2.595 3.140 . 0 0 "[ . 1 . 2]" 3 221 1 169 SER H 1 175 LEU MD2 5.600 . 6.100 3.714 2.482 4.862 . 0 0 "[ . 1 . 2]" 3 222 1 175 LEU H 1 175 LEU MD2 . . 4.800 3.415 2.460 4.088 . 0 0 "[ . 1 . 2]" 3 223 1 186 LEU H 1 186 LEU MD2 . . 4.500 2.474 1.787 2.846 0.113 11 0 "[ . 1 . 2]" 3 224 1 25 THR HA 1 26 VAL H 2.200 . 2.700 2.388 2.213 2.700 0.000 16 0 "[ . 1 . 2]" 3 225 1 34 ASP H 1 34 ASP QB . . 3.800 2.442 1.921 3.185 . 0 0 "[ . 1 . 2]" 3 226 1 35 VAL H 1 35 VAL HA 2.700 . 3.200 2.530 2.360 3.005 . 0 0 "[ . 1 . 2]" 3 227 1 35 VAL H 1 35 VAL HB 3.000 . 3.500 3.204 2.253 3.630 0.130 11 0 "[ . 1 . 2]" 3 228 1 35 VAL HB 1 36 LYS H . 2.200 4.200 3.710 2.087 4.333 0.133 16 0 "[ . 1 . 2]" 3 229 1 35 VAL QG 1 36 LYS H . . 4.600 3.490 1.898 3.689 . 0 0 "[ . 1 . 2]" 3 230 1 36 LYS H 1 36 LYS HA 3.000 . 3.500 2.935 2.360 3.003 . 0 0 "[ . 1 . 2]" 3 231 1 36 LYS H 1 36 LYS QB 3.000 . 3.500 2.267 1.938 3.044 . 0 0 "[ . 1 . 2]" 3 232 1 36 LYS H 1 36 LYS QG . . 3.800 3.029 2.328 3.513 . 0 0 "[ . 1 . 2]" 3 233 1 36 LYS HA 1 37 HIS H 3.000 . 3.500 3.284 2.875 3.580 0.080 16 0 "[ . 1 . 2]" 3 234 1 36 LYS QB 1 37 HIS H . . 4.000 3.088 1.833 3.773 . 0 0 "[ . 1 . 2]" 3 235 1 37 HIS H 1 37 HIS QB 3.500 . 4.000 2.987 2.425 3.234 . 0 0 "[ . 1 . 2]" 3 236 1 38 PRO HA 1 39 LEU H 3.500 . 4.000 2.723 2.234 3.660 . 0 0 "[ . 1 . 2]" 3 237 1 39 LEU H 1 39 LEU QB 3.000 . 3.500 2.633 2.062 3.248 . 0 0 "[ . 1 . 2]" 3 238 1 39 LEU H 1 69 GLN QB 4.500 . 4.800 3.573 2.990 4.185 . 0 0 "[ . 1 . 2]" 3 239 1 39 LEU H 1 70 THR MG 4.700 . 5.200 3.471 2.744 4.433 . 0 0 "[ . 1 . 2]" 3 240 1 39 LEU HA 1 40 ASN H 3.000 . 3.500 3.159 2.117 3.535 0.035 11 0 "[ . 1 . 2]" 3 241 1 39 LEU HA 1 40 ASN QD 4.200 . 4.700 3.578 2.987 4.243 . 0 0 "[ . 1 . 2]" 3 242 1 39 LEU QB 1 41 THR H . . 4.100 2.856 2.340 3.654 . 0 0 "[ . 1 . 2]" 3 243 1 39 LEU QB 1 40 ASN H 4.000 . 4.500 1.900 1.673 3.611 0.127 10 0 "[ . 1 . 2]" 3 244 1 39 LEU QD 1 40 ASN H . 2.200 4.200 2.858 1.762 3.389 0.438 19 0 "[ . 1 . 2]" 3 245 1 40 ASN H 1 40 ASN QB 3.000 . 3.500 3.094 2.650 3.289 . 0 0 "[ . 1 . 2]" 3 246 1 40 ASN QB 1 41 THR H 4.600 . 4.800 3.973 3.713 4.058 . 0 0 "[ . 1 . 2]" 3 247 1 41 THR H 1 41 THR HA 2.500 . 3.000 2.971 2.924 2.996 . 0 0 "[ . 1 . 2]" 3 248 1 41 THR H 1 41 THR HB 2.800 . 3.300 2.938 2.296 3.238 . 0 0 "[ . 1 . 2]" 3 249 1 41 THR H 1 41 THR MG . . 4.000 2.353 2.096 3.198 . 0 0 "[ . 1 . 2]" 3 250 1 41 THR MG 1 42 LYS H . . 3.800 2.985 1.903 3.340 . 0 0 "[ . 1 . 2]" 3 251 1 41 THR MG 1 43 TRP HE1 5.600 . 6.100 2.697 1.712 3.562 0.088 6 0 "[ . 1 . 2]" 3 252 1 41 THR MG 1 98 ASN H 5.600 . 6.100 4.789 3.814 5.009 . 0 0 "[ . 1 . 2]" 3 253 1 41 THR MG 1 98 ASN QD 6.600 . 7.100 3.822 1.900 5.066 . 0 0 "[ . 1 . 2]" 3 254 1 42 LYS H 1 42 LYS QB 3.000 . 3.500 2.794 2.570 2.986 . 0 0 "[ . 1 . 2]" 3 255 1 43 TRP H 1 67 SER HA 6.000 . 6.500 4.228 3.971 4.673 . 0 0 "[ . 1 . 2]" 3 256 1 43 TRP HA 1 44 THR H . . 3.000 2.475 2.172 2.609 . 0 0 "[ . 1 . 2]" 3 257 1 43 TRP QB 1 44 THR H 3.500 . 3.900 2.462 2.258 3.368 . 0 0 "[ . 1 . 2]" 3 258 1 44 THR H 1 44 THR HB 4.000 . 4.500 3.747 3.540 3.935 . 0 0 "[ . 1 . 2]" 3 259 1 44 THR H 1 97 ARG QG . 2.200 5.300 3.881 2.536 4.812 . 0 0 "[ . 1 . 2]" 3 260 1 44 THR HA 1 67 SER H 5.000 . 5.500 4.188 4.039 4.413 . 0 0 "[ . 1 . 2]" 3 261 1 44 THR MG 1 68 PHE H 5.600 . 6.100 4.921 4.756 5.000 . 0 0 "[ . 1 . 2]" 3 262 1 45 LEU H 1 45 LEU QB 3.000 . 3.500 2.172 1.957 2.367 . 0 0 "[ . 1 . 2]" 3 263 1 45 LEU H 1 45 LEU HG 3.500 . 3.800 3.975 3.832 4.036 0.236 3 0 "[ . 1 . 2]" 3 264 1 45 LEU MD1 1 65 VAL H 5.600 2.200 5.600 4.634 4.538 4.743 . 0 0 "[ . 1 . 2]" 3 265 1 45 LEU QD 1 66 THR H 5.500 . 6.000 2.931 1.979 3.231 . 0 0 "[ . 1 . 2]" 3 266 1 45 LEU QD 1 67 SER H 7.000 . 7.500 5.133 4.902 5.277 . 0 0 "[ . 1 . 2]" 3 267 1 46 TRP H 1 46 TRP QB 3.300 . 3.800 2.568 2.461 2.712 . 0 0 "[ . 1 . 2]" 3 268 1 46 TRP H 1 94 HIS HA 4.600 . 5.100 4.893 4.691 5.248 0.148 2 0 "[ . 1 . 2]" 3 269 1 46 TRP HA 1 65 VAL H 3.100 . 3.600 2.961 2.769 3.071 . 0 0 "[ . 1 . 2]" 3 270 1 46 TRP QB 1 46 TRP HE1 4.400 2.600 4.900 4.545 4.528 4.557 . 0 0 "[ . 1 . 2]" 3 271 1 46 TRP QB 1 47 TYR H 3.500 . 4.000 3.533 3.347 3.644 . 0 0 "[ . 1 . 2]" 3 272 1 47 TYR H 1 47 TYR QB 3.500 . 4.000 3.057 3.005 3.136 . 0 0 "[ . 1 . 2]" 3 273 1 47 TYR H 1 65 VAL MG1 5.600 . 6.100 4.135 3.929 4.962 . 0 0 "[ . 1 . 2]" 3 274 1 47 TYR H 1 65 VAL MG2 4.000 . 4.500 3.440 2.539 3.593 . 0 0 "[ . 1 . 2]" 3 275 1 47 TYR QB 1 48 THR H 4.600 . 5.100 2.678 2.295 3.024 . 0 0 "[ . 1 . 2]" 3 276 1 48 THR H 1 48 THR HA 2.400 . 2.900 2.984 2.961 2.994 0.094 12 0 "[ . 1 . 2]" 3 277 1 48 THR MG 1 49 LYS H . . 3.800 2.525 2.064 3.099 . 0 0 "[ . 1 . 2]" 3 278 1 51 ALA H 1 61 LEU MD1 . . 3.800 2.749 1.696 3.065 0.104 12 0 "[ . 1 . 2]" 3 279 1 51 ALA HA 1 53 ASP H 3.200 . 3.700 3.588 3.048 3.851 0.151 14 0 "[ . 1 . 2]" 3 280 1 51 ALA MB 1 52 VAL H 3.500 . 3.800 2.818 1.817 3.454 . 0 0 "[ . 1 . 2]" 3 281 1 51 ALA MB 1 53 ASP H 4.900 . 5.300 4.191 3.044 4.481 . 0 0 "[ . 1 . 2]" 3 282 1 52 VAL H 1 52 VAL HA 2.200 . 2.700 2.776 2.349 2.938 0.238 10 0 "[ . 1 . 2]" 3 283 1 52 VAL H 1 52 VAL HB 2.400 . 2.900 2.518 2.254 3.082 0.182 20 0 "[ . 1 . 2]" 3 284 1 52 VAL H 1 61 LEU MD1 . . 5.400 3.642 2.095 4.241 . 0 0 "[ . 1 . 2]" 3 285 1 52 VAL QG 1 53 ASP H . 2.200 4.600 3.096 1.819 3.675 0.381 8 0 "[ . 1 . 2]" 3 286 1 53 ASP H 1 53 ASP QB 3.000 . 3.500 2.754 2.021 3.197 . 0 0 "[ . 1 . 2]" 3 287 1 53 ASP QB 1 54 LYS H . . 4.500 3.490 2.743 4.057 . 0 0 "[ . 1 . 2]" 3 288 1 53 ASP QB 1 55 SER H . . 5.400 4.647 3.927 5.097 . 0 0 "[ . 1 . 2]" 3 289 1 54 LYS H 1 54 LYS QB . . 3.500 2.283 1.900 3.058 . 0 0 "[ . 1 . 2]" 3 290 1 54 LYS QB 1 55 SER H . . 3.800 2.821 2.427 3.581 . 0 0 "[ . 1 . 2]" 3 291 1 55 SER H 1 55 SER QB 3.000 . 3.500 2.693 2.215 3.065 . 0 0 "[ . 1 . 2]" 3 292 1 55 SER H 1 56 GLU QB . . 5.100 3.911 3.540 4.343 . 0 0 "[ . 1 . 2]" 3 293 1 55 SER QB 1 56 GLU H . . 3.800 3.390 2.978 3.605 . 0 0 "[ . 1 . 2]" 3 294 1 56 GLU H 1 56 GLU QB 3.000 . 3.500 2.601 2.075 3.034 . 0 0 "[ . 1 . 2]" 3 295 1 56 GLU H 1 56 GLU QG . . 3.800 2.714 1.876 3.499 . 0 0 "[ . 1 . 2]" 3 296 1 56 GLU HA 1 57 SER H 3.000 . 3.500 2.909 2.237 3.565 0.065 17 0 "[ . 1 . 2]" 3 297 1 56 GLU QG 1 57 SER H 4.000 . 4.300 3.875 3.555 4.101 . 0 0 "[ . 1 . 2]" 3 298 1 57 SER H 1 57 SER QB 3.000 . 3.500 2.529 1.967 3.011 . 0 0 "[ . 1 . 2]" 3 299 1 57 SER HA 1 58 TRP H 3.500 . 4.000 2.274 2.208 2.521 . 0 0 "[ . 1 . 2]" 3 300 1 57 SER QB 1 58 TRP H 3.500 2.800 4.000 3.445 2.808 3.666 . 0 0 "[ . 1 . 2]" 3 301 1 57 SER QB 1 59 SER H . . 3.800 2.686 2.218 3.432 . 0 0 "[ . 1 . 2]" 3 302 1 58 TRP H 1 58 TRP QB 3.000 . 3.500 2.175 2.087 2.226 . 0 0 "[ . 1 . 2]" 3 303 1 58 TRP HA 1 59 SER H 3.000 . 3.500 3.496 3.478 3.524 0.024 17 0 "[ . 1 . 2]" 3 304 1 58 TRP HA 1 60 ASP H 4.500 . 4.500 4.065 3.945 4.227 . 0 0 "[ . 1 . 2]" 3 305 1 58 TRP QB 1 59 SER H . . 3.800 2.829 2.675 2.924 . 0 0 "[ . 1 . 2]" 3 306 1 58 TRP HE1 1 62 LEU QD 5.000 . 5.500 2.367 2.120 2.778 . 0 0 "[ . 1 . 2]" 3 307 1 59 SER H 1 59 SER HA 2.400 . 2.900 2.935 2.919 2.950 0.050 6 0 "[ . 1 . 2]" 3 308 1 59 SER H 1 59 SER QB 3.000 . 3.500 1.975 1.943 2.008 . 0 0 "[ . 1 . 2]" 3 309 1 59 SER QB 1 60 ASP H 3.500 . 3.800 3.050 2.946 3.293 . 0 0 "[ . 1 . 2]" 3 310 1 60 ASP H 1 60 ASP QB 3.000 . 3.500 2.117 1.966 2.391 . 0 0 "[ . 1 . 2]" 3 311 1 60 ASP QB 1 61 LEU H . . 3.800 3.055 2.930 3.170 . 0 0 "[ . 1 . 2]" 3 312 1 61 LEU H 1 61 LEU QB 3.000 . 3.500 2.544 2.047 2.798 . 0 0 "[ . 1 . 2]" 3 313 1 61 LEU H 1 61 LEU MD1 . . 4.000 3.313 2.146 3.529 . 0 0 "[ . 1 . 2]" 3 314 1 61 LEU HA 1 62 LEU H . . 3.800 3.549 3.444 3.574 . 0 0 "[ . 1 . 2]" 3 315 1 61 LEU QB 1 62 LEU H . . 3.800 1.892 1.636 2.001 0.164 16 0 "[ . 1 . 2]" 3 316 1 61 LEU HG 1 62 LEU H 3.500 . 4.000 3.576 2.978 4.328 0.328 7 0 "[ . 1 . 2]" 3 317 1 62 LEU H 1 62 LEU QB 2.800 . 3.300 1.986 1.857 2.205 . 0 0 "[ . 1 . 2]" 3 318 1 62 LEU H 1 62 LEU HG 2.800 . 3.300 3.310 3.081 3.662 0.362 2 0 "[ . 1 . 2]" 3 319 1 62 LEU H 1 62 LEU MD1 . . 4.800 3.929 1.776 4.106 0.024 12 0 "[ . 1 . 2]" 3 320 1 63 ARG H 1 63 ARG QB 3.200 . 3.500 2.210 2.059 2.436 . 0 0 "[ . 1 . 2]" 3 321 1 65 VAL H 1 65 VAL MG1 4.300 . 4.500 2.901 2.712 3.932 . 0 0 "[ . 1 . 2]" 3 322 1 65 VAL H 1 65 VAL MG2 3.000 . 3.500 2.255 2.170 2.355 . 0 0 "[ . 1 . 2]" 3 323 1 65 VAL MG1 1 66 THR H . . 4.000 3.334 1.828 3.508 . 0 0 "[ . 1 . 2]" 3 324 1 65 VAL MG2 1 66 THR H . . 4.500 2.284 1.994 3.641 . 0 0 "[ . 1 . 2]" 3 325 1 65 VAL QG 1 67 SER H 6.500 2.800 7.000 4.989 4.743 5.075 . 0 0 "[ . 1 . 2]" 3 326 1 66 THR MG 1 67 SER H . . 5.500 3.095 2.678 3.535 . 0 0 "[ . 1 . 2]" 3 327 1 66 THR MG 1 68 PHE H . . 5.500 3.450 2.812 4.076 . 0 0 "[ . 1 . 2]" 3 328 1 67 SER H 1 67 SER QB 3.400 . 3.900 2.937 2.720 3.128 . 0 0 "[ . 1 . 2]" 3 329 1 67 SER QB 1 68 PHE H 3.400 . 3.900 3.762 3.632 3.824 . 0 0 "[ . 1 . 2]" 3 330 1 68 PHE QB 1 69 GLN H 4.500 . 4.800 2.185 1.983 3.443 . 0 0 "[ . 1 . 2]" 3 331 1 68 PHE QB 1 70 THR H . . 4.800 2.909 2.209 3.907 . 0 0 "[ . 1 . 2]" 3 332 1 69 GLN H 1 69 GLN HA 2.400 . 2.900 2.979 2.968 2.994 0.094 16 0 "[ . 1 . 2]" 3 333 1 69 GLN H 1 69 GLN QB . . 3.800 2.849 2.139 3.101 . 0 0 "[ . 1 . 2]" 3 334 1 69 GLN QB 1 70 THR H . . 4.600 3.885 2.459 4.076 . 0 0 "[ . 1 . 2]" 3 335 1 70 THR H 1 70 THR HA 2.300 . 2.800 2.944 2.614 2.981 0.181 9 0 "[ . 1 . 2]" 3 336 1 70 THR H 1 70 THR HB 3.300 . 3.800 3.682 2.575 3.880 0.080 4 0 "[ . 1 . 2]" 3 337 1 70 THR HA 1 71 VAL H 2.900 . 3.400 2.742 2.143 3.382 . 0 0 "[ . 1 . 2]" 3 338 1 70 THR HB 1 71 VAL H . . 3.800 2.566 2.035 3.705 . 0 0 "[ . 1 . 2]" 3 339 1 70 THR HB 1 72 GLU H 4.000 . 4.500 3.286 2.739 4.636 0.136 3 0 "[ . 1 . 2]" 3 340 1 71 VAL H 1 71 VAL HB . . 3.800 3.673 3.507 3.902 0.102 3 0 "[ . 1 . 2]" 3 341 1 71 VAL HB 1 72 GLU H 3.600 . 3.800 3.799 3.646 3.919 0.119 16 0 "[ . 1 . 2]" 3 342 1 71 VAL QG 1 72 GLU H . . 5.500 1.971 1.825 2.270 . 0 0 "[ . 1 . 2]" 3 343 1 71 VAL QG 1 74 PHE H 7.000 . 7.500 4.754 4.364 4.896 . 0 0 "[ . 1 . 2]" 3 344 1 72 GLU H 1 72 GLU QB 3.000 . 3.500 2.371 1.931 2.583 . 0 0 "[ . 1 . 2]" 3 345 1 72 GLU HA 1 75 TRP H 3.500 . 3.800 3.762 3.557 3.873 0.073 17 0 "[ . 1 . 2]" 3 346 1 72 GLU QB 1 73 GLU H 3.000 . 3.500 2.263 2.045 2.488 . 0 0 "[ . 1 . 2]" 3 347 1 73 GLU H 1 73 GLU QB 2.300 . 2.800 2.256 1.962 2.415 . 0 0 "[ . 1 . 2]" 3 348 1 73 GLU HA 1 76 ALA H 3.100 . 3.600 3.340 3.102 3.569 . 0 0 "[ . 1 . 2]" 3 349 1 73 GLU QB 1 74 PHE H 4.800 . 5.100 2.147 1.917 2.511 . 0 0 "[ . 1 . 2]" 3 350 1 74 PHE H 1 74 PHE QB 2.300 . 2.800 2.036 1.971 2.146 . 0 0 "[ . 1 . 2]" 3 351 1 74 PHE HA 1 75 TRP H 3.000 . 3.500 3.561 3.532 3.579 0.079 17 0 "[ . 1 . 2]" 3 352 1 74 PHE HA 1 76 ALA H 3.400 . 3.900 3.936 3.873 3.985 0.085 16 0 "[ . 1 . 2]" 3 353 1 75 TRP H 1 75 TRP QB 3.500 . 3.800 1.986 1.919 2.107 . 0 0 "[ . 1 . 2]" 3 354 1 75 TRP H 1 76 ALA MB . . 5.100 4.188 4.151 4.213 . 0 0 "[ . 1 . 2]" 3 355 1 75 TRP HA 1 75 TRP HE1 5.000 . 5.300 4.413 4.318 4.620 . 0 0 "[ . 1 . 2]" 3 356 1 75 TRP HA 1 78 ILE H . . 3.800 3.336 3.261 3.429 . 0 0 "[ . 1 . 2]" 3 357 1 75 TRP QB 1 76 ALA H . . 4.200 2.753 2.680 2.835 . 0 0 "[ . 1 . 2]" 3 358 1 76 ALA H 1 76 ALA HA 2.400 . 2.900 2.836 2.809 2.856 . 0 0 "[ . 1 . 2]" 3 359 1 76 ALA HA 1 77 ILE H 3.700 . 3.800 3.595 3.583 3.612 . 0 0 "[ . 1 . 2]" 3 360 1 76 ALA HA 1 79 GLN H 2.800 . 3.300 3.086 2.862 3.288 . 0 0 "[ . 1 . 2]" 3 361 1 76 ALA MB 1 77 ILE H 2.900 . 3.400 2.018 1.960 2.070 . 0 0 "[ . 1 . 2]" 3 362 1 77 ILE H 1 77 ILE MG 3.800 2.200 4.200 3.684 3.674 3.695 . 0 0 "[ . 1 . 2]" 3 363 1 77 ILE H 1 77 ILE QG 3.200 . 3.700 1.967 1.844 2.155 . 0 0 "[ . 1 . 2]" 3 364 1 77 ILE H 1 77 ILE MD 2.300 . 2.800 2.226 2.076 2.269 . 0 0 "[ . 1 . 2]" 3 365 1 77 ILE HA 1 80 ASN H 4.600 . 5.100 3.915 3.744 4.063 . 0 0 "[ . 1 . 2]" 3 366 1 78 ILE H 1 78 ILE HA 2.700 . 3.200 2.939 2.927 2.957 . 0 0 "[ . 1 . 2]" 3 367 1 78 ILE H 1 78 ILE QG . . 4.200 1.808 1.799 1.826 0.001 10 0 "[ . 1 . 2]" 3 368 1 78 ILE H 1 78 ILE MD . . 4.300 3.561 3.551 3.575 . 0 0 "[ . 1 . 2]" 3 369 1 78 ILE HA 1 80 ASN H . . 3.800 3.653 3.507 3.804 0.004 12 0 "[ . 1 . 2]" 3 370 1 78 ILE HA 1 81 ILE H 3.000 . 3.500 3.397 3.165 3.643 0.143 9 0 "[ . 1 . 2]" 3 371 1 78 ILE HB 1 79 GLN H 3.500 . 3.800 2.685 2.512 2.805 . 0 0 "[ . 1 . 2]" 3 372 1 78 ILE QG 1 79 GLN H . . 3.800 3.402 3.325 3.474 . 0 0 "[ . 1 . 2]" 3 373 1 79 GLN H 1 79 GLN HA 2.500 . 3.000 2.802 2.790 2.820 . 0 0 "[ . 1 . 2]" 3 374 1 79 GLN H 1 79 GLN QB 3.000 . 3.500 2.199 1.952 2.584 . 0 0 "[ . 1 . 2]" 3 375 1 79 GLN HA 1 79 GLN QE . . 4.000 3.133 2.945 3.250 . 0 0 "[ . 1 . 2]" 3 376 1 80 ASN H 1 80 ASN QB 3.000 . 3.500 2.281 2.215 2.356 . 0 0 "[ . 1 . 2]" 3 377 1 80 ASN H 1 81 ILE MG 5.600 . 6.100 4.617 4.465 4.774 . 0 0 "[ . 1 . 2]" 3 378 1 80 ASN H 1 81 ILE QG . . 5.100 4.018 3.898 4.133 . 0 0 "[ . 1 . 2]" 3 379 1 80 ASN HA 1 81 ILE H 2.700 . 3.200 3.372 3.359 3.387 0.187 2 0 "[ . 1 . 2]" 3 380 1 80 ASN QB 1 83 GLU H 4.800 2.200 5.200 4.800 4.728 4.847 . 0 0 "[ . 1 . 2]" 3 381 1 81 ILE H 1 81 ILE HB 3.400 . 3.800 3.939 3.910 3.959 0.159 14 0 "[ . 1 . 2]" 3 382 1 81 ILE H 1 81 ILE MG 3.000 . 3.500 2.712 2.594 2.842 . 0 0 "[ . 1 . 2]" 3 383 1 81 ILE H 1 81 ILE QG 3.000 . 3.500 2.467 2.402 2.577 . 0 0 "[ . 1 . 2]" 3 384 1 81 ILE H 1 81 ILE MD 4.200 . 4.500 3.833 3.589 3.964 . 0 0 "[ . 1 . 2]" 3 385 1 82 PRO HA 1 83 GLU H 3.000 . 3.500 3.469 3.388 3.556 0.056 7 0 "[ . 1 . 2]" 3 386 1 83 GLU H 1 83 GLU QB . . 3.800 2.733 2.365 3.374 . 0 0 "[ . 1 . 2]" 3 387 1 83 GLU H 1 86 GLU QB 3.700 2.200 4.200 3.750 3.672 3.862 . 0 0 "[ . 1 . 2]" 3 388 1 83 GLU QB 1 85 HIS H . . 4.500 3.208 2.007 4.303 . 0 0 "[ . 1 . 2]" 3 389 1 85 HIS H 1 85 HIS QB 2.900 . 3.400 2.891 2.704 3.059 . 0 0 "[ . 1 . 2]" 3 390 1 85 HIS HA 1 86 GLU H 2.500 . 3.000 2.902 2.717 3.049 0.049 9 0 "[ . 1 . 2]" 3 391 1 86 GLU H 1 86 GLU QB 2.700 . 3.200 2.380 2.157 2.493 . 0 0 "[ . 1 . 2]" 3 392 1 86 GLU HA 1 87 LEU H 2.800 . 3.300 3.332 3.250 3.392 0.092 12 0 "[ . 1 . 2]" 3 393 1 87 LEU H 1 87 LEU QB 3.300 . 3.800 2.660 2.406 2.943 . 0 0 "[ . 1 . 2]" 3 394 1 87 LEU H 1 87 LEU MD1 . . 4.800 3.595 2.317 4.050 . 0 0 "[ . 1 . 2]" 3 395 1 89 LEU H 1 89 LEU QB 3.300 . 3.800 2.893 2.185 3.280 . 0 0 "[ . 1 . 2]" 3 396 1 89 LEU H 1 89 LEU HG . . 3.800 2.573 1.843 3.902 0.102 13 0 "[ . 1 . 2]" 3 397 1 89 LEU H 1 89 LEU MD1 . . 3.800 2.612 1.751 3.159 0.049 2 0 "[ . 1 . 2]" 3 398 1 89 LEU QB 1 91 SER H . . 4.300 3.961 3.910 4.057 . 0 0 "[ . 1 . 2]" 3 399 1 89 LEU HG 1 90 LYS H 4.000 . 4.500 4.329 3.496 4.563 0.063 20 0 "[ . 1 . 2]" 3 400 1 89 LEU MD1 1 90 LYS H . . 5.000 4.089 3.704 4.228 . 0 0 "[ . 1 . 2]" 3 401 1 89 LEU MD1 1 158 LYS H 5.500 . 6.000 4.723 4.099 4.966 . 0 0 "[ . 1 . 2]" 3 402 1 90 LYS H 1 90 LYS QB . . 3.800 3.151 2.657 3.334 . 0 0 "[ . 1 . 2]" 3 403 1 90 LYS H 1 90 LYS QG . . 4.400 2.795 2.223 4.051 . 0 0 "[ . 1 . 2]" 3 404 1 90 LYS QB 1 91 SER H 3.400 . 3.900 3.607 3.561 3.669 . 0 0 "[ . 1 . 2]" 3 405 1 91 SER H 1 91 SER QB 3.000 . 3.500 2.271 1.964 2.929 . 0 0 "[ . 1 . 2]" 3 406 1 91 SER H 1 156 ILE QG . . 5.300 3.750 3.600 3.909 . 0 0 "[ . 1 . 2]" 3 407 1 91 SER QB 1 92 ASP H 3.200 . 3.500 2.794 2.341 3.310 . 0 0 "[ . 1 . 2]" 3 408 1 93 TYR H 1 93 TYR QB 3.000 . 3.500 2.408 2.230 2.628 . 0 0 "[ . 1 . 2]" 3 409 1 93 TYR H 1 154 LEU MD1 . 2.500 4.900 4.141 4.038 4.222 . 0 0 "[ . 1 . 2]" 3 410 1 93 TYR H 1 155 SER HA . . 4.100 3.339 3.177 3.781 . 0 0 "[ . 1 . 2]" 3 411 1 94 HIS H 1 94 HIS HA 3.000 . 3.500 2.982 2.947 3.005 . 0 0 "[ . 1 . 2]" 3 412 1 94 HIS HA 1 95 VAL H . . 2.500 2.239 2.200 2.293 . 0 0 "[ . 1 . 2]" 3 413 1 94 HIS QB 1 95 VAL H . . 4.500 3.237 2.787 3.715 . 0 0 "[ . 1 . 2]" 3 414 1 95 VAL H 1 95 VAL HB 2.700 . 3.200 2.553 2.313 2.704 . 0 0 "[ . 1 . 2]" 3 415 1 95 VAL H 1 95 VAL MG1 . . 4.800 3.660 3.559 3.809 . 0 0 "[ . 1 . 2]" 3 416 1 95 VAL MG1 1 96 PHE H . . 4.300 2.834 2.291 3.148 . 0 0 "[ . 1 . 2]" 3 417 1 96 PHE H 1 96 PHE HA 2.300 . 2.800 2.890 2.838 2.989 0.189 9 0 "[ . 1 . 2]" 3 418 1 96 PHE H 1 96 PHE QB 3.000 . 3.500 3.205 2.628 3.414 . 0 0 "[ . 1 . 2]" 3 419 1 96 PHE HA 1 97 ARG H 3.000 . 3.500 2.673 2.316 3.168 . 0 0 "[ . 1 . 2]" 3 420 1 96 PHE HA 1 152 VAL H . . 3.800 3.845 3.462 4.012 0.212 18 0 "[ . 1 . 2]" 3 421 1 96 PHE QB 1 97 ARG H 3.000 . 3.500 2.219 1.680 2.862 0.120 19 0 "[ . 1 . 2]" 3 422 1 97 ARG H 1 151 GLY QA . . 5.300 3.453 3.124 4.051 . 0 0 "[ . 1 . 2]" 3 423 1 97 ARG HA 1 98 ASN H 3.000 . 3.500 3.297 2.468 3.569 0.069 9 0 "[ . 1 . 2]" 3 424 1 97 ARG QB 1 98 ASN H 5.000 . 5.500 2.898 1.864 3.991 . 0 0 "[ . 1 . 2]" 3 425 1 98 ASN H 1 98 ASN HA 3.000 . 3.500 2.795 2.370 2.999 . 0 0 "[ . 1 . 2]" 3 426 1 98 ASN H 1 98 ASN QB 3.400 . 3.800 2.446 2.059 3.450 . 0 0 "[ . 1 . 2]" 3 427 1 98 ASN HA 1 99 ASP H 2.900 . 3.400 3.461 3.263 3.556 0.156 1 0 "[ . 1 . 2]" 3 428 1 98 ASN QB 1 99 ASP H 3.400 . 3.800 3.129 2.029 3.523 . 0 0 "[ . 1 . 2]" 3 429 1 99 ASP H 1 99 ASP HA 3.000 . 3.500 2.849 2.368 3.001 . 0 0 "[ . 1 . 2]" 3 430 1 99 ASP H 1 99 ASP QB . . 3.800 2.526 1.925 3.081 . 0 0 "[ . 1 . 2]" 3 431 1 99 ASP HA 1 100 VAL H 3.000 . 3.500 3.398 2.748 3.599 0.099 11 0 "[ . 1 . 2]" 3 432 1 99 ASP QB 1 100 VAL H . . 3.900 2.933 2.256 3.828 . 0 0 "[ . 1 . 2]" 3 433 1 100 VAL H 1 100 VAL HB 3.000 . 3.500 2.694 2.504 3.007 . 0 0 "[ . 1 . 2]" 3 434 1 100 VAL H 1 100 VAL MG1 3.000 . 3.500 2.087 1.835 2.365 . 0 0 "[ . 1 . 2]" 3 435 1 100 VAL H 1 100 VAL MG2 4.400 2.500 4.500 3.798 3.692 3.895 . 0 0 "[ . 1 . 2]" 3 436 1 100 VAL HA 1 101 ARG H 3.000 . 3.500 3.252 3.030 3.525 0.025 9 0 "[ . 1 . 2]" 3 437 1 100 VAL MG1 1 101 ARG H 3.000 . 3.500 1.776 1.706 1.861 0.094 8 0 "[ . 1 . 2]" 3 438 1 100 VAL MG2 1 101 ARG H 3.000 . 3.500 1.765 1.682 1.933 0.118 11 0 "[ . 1 . 2]" 3 439 1 100 VAL MG2 1 108 ALA H 5.600 2.200 5.900 4.173 3.936 4.714 . 0 0 "[ . 1 . 2]" 3 440 1 100 VAL MG2 1 109 ASN QD 6.600 . 7.100 4.581 2.046 5.140 . 0 0 "[ . 1 . 2]" 3 441 1 101 ARG H 1 101 ARG QB 3.000 . 3.500 2.647 2.049 3.220 . 0 0 "[ . 1 . 2]" 3 442 1 101 ARG H 1 110 ALA MB 4.500 . 4.500 3.542 2.755 3.993 . 0 0 "[ . 1 . 2]" 3 443 1 103 GLU H 1 103 GLU QB 3.300 . 3.800 3.048 2.780 3.418 . 0 0 "[ . 1 . 2]" 3 444 1 103 GLU H 1 106 ASP QB . . 3.900 2.385 1.864 3.189 . 0 0 "[ . 1 . 2]" 3 445 1 103 GLU QB 1 106 ASP H 4.500 . 4.800 3.763 3.216 4.240 . 0 0 "[ . 1 . 2]" 3 446 1 104 TRP H 1 104 TRP QB 3.600 . 3.800 1.872 1.839 1.906 . 0 0 "[ . 1 . 2]" 3 447 1 106 ASP H 1 106 ASP HA 2.800 . 3.300 2.942 2.862 2.977 . 0 0 "[ . 1 . 2]" 3 448 1 106 ASP H 1 106 ASP QB 3.000 . 3.500 2.643 2.425 2.806 . 0 0 "[ . 1 . 2]" 3 449 1 106 ASP H 1 109 ASN QB 5.600 . 6.100 4.370 3.747 5.138 . 0 0 "[ . 1 . 2]" 3 450 1 106 ASP HA 1 107 GLU H 3.000 . 3.500 3.538 3.416 3.601 0.101 9 0 "[ . 1 . 2]" 3 451 1 106 ASP QB 1 109 ASN H 5.000 . 5.400 4.226 3.951 4.356 . 0 0 "[ . 1 . 2]" 3 452 1 106 ASP QB 1 109 ASN QD 6.600 . 7.100 3.107 1.805 3.806 . 0 0 "[ . 1 . 2]" 3 453 1 107 GLU H 1 107 GLU HA 2.300 . 2.800 2.805 2.754 2.851 0.051 19 0 "[ . 1 . 2]" 3 454 1 107 GLU H 1 107 GLU QB 3.000 . 3.500 2.250 1.978 2.482 . 0 0 "[ . 1 . 2]" 3 455 1 107 GLU H 1 108 ALA MB . . 5.500 4.231 4.089 4.409 . 0 0 "[ . 1 . 2]" 3 456 1 107 GLU HA 1 108 ALA H . . 3.800 3.486 3.456 3.534 . 0 0 "[ . 1 . 2]" 3 457 1 107 GLU HA 1 110 ALA H . . 3.800 3.617 3.266 3.876 0.076 14 0 "[ . 1 . 2]" 3 458 1 107 GLU QB 1 108 ALA H . . 3.800 2.603 2.423 2.815 . 0 0 "[ . 1 . 2]" 3 459 1 108 ALA H 1 108 ALA HA 2.500 . 3.000 2.928 2.892 2.961 . 0 0 "[ . 1 . 2]" 3 460 1 108 ALA HA 1 109 ASN H . . 3.800 3.486 3.368 3.572 . 0 0 "[ . 1 . 2]" 3 461 1 108 ALA MB 1 109 ASN H 3.000 . 3.500 2.684 2.400 3.024 . 0 0 "[ . 1 . 2]" 3 462 1 108 ALA MB 1 150 ASN QD 6.600 . 6.700 4.941 4.552 5.079 . 0 0 "[ . 1 . 2]" 3 463 1 109 ASN H 1 109 ASN QB 3.400 . 3.900 2.151 1.844 2.322 . 0 0 "[ . 1 . 2]" 3 464 1 109 ASN QB 1 110 ALA H . . 5.200 2.791 2.534 3.227 . 0 0 "[ . 1 . 2]" 3 465 1 111 LYS H 1 111 LYS HA 2.900 . 3.400 2.806 2.393 2.941 . 0 0 "[ . 1 . 2]" 3 466 1 111 LYS H 1 111 LYS QB . . 3.800 2.440 1.977 3.487 . 0 0 "[ . 1 . 2]" 3 467 1 111 LYS H 1 111 LYS QG 3.000 . 3.500 2.233 1.758 3.012 0.042 14 0 "[ . 1 . 2]" 3 468 1 112 GLY QA 1 113 GLY H 3.000 . 3.500 2.782 2.190 3.003 . 0 0 "[ . 1 . 2]" 3 469 1 113 GLY QA 1 114 LYS H 3.200 . 3.700 2.204 2.154 2.348 . 0 0 "[ . 1 . 2]" 3 470 1 115 TRP H 1 115 TRP QB 2.700 . 3.200 2.060 1.990 2.219 . 0 0 "[ . 1 . 2]" 3 471 1 115 TRP HA 1 116 SER H 2.300 . 2.500 2.300 2.213 2.451 . 0 0 "[ . 1 . 2]" 3 472 1 115 TRP QB 1 116 SER H 5.600 . 6.100 3.239 2.649 3.783 . 0 0 "[ . 1 . 2]" 3 473 1 115 TRP QB 1 165 LEU H 4.200 2.200 4.300 2.828 2.065 3.458 0.135 17 0 "[ . 1 . 2]" 3 474 1 115 TRP HE1 1 176 LEU MD1 . . 3.800 2.879 2.628 3.024 . 0 0 "[ . 1 . 2]" 3 475 1 115 TRP HE1 1 178 ILE MG 4.400 . 4.900 3.736 3.369 3.946 . 0 0 "[ . 1 . 2]" 3 476 1 116 SER H 1 116 SER QB 3.000 . 3.500 2.412 2.039 2.706 . 0 0 "[ . 1 . 2]" 3 477 1 116 SER QB 1 195 GLU H 5.600 . 5.600 3.618 2.041 4.394 . 0 0 "[ . 1 . 2]" 3 478 1 117 PHE H 1 117 PHE QB 3.000 . 3.500 2.835 2.544 3.170 . 0 0 "[ . 1 . 2]" 3 479 1 117 PHE HA 1 118 GLN H 2.200 . 2.500 2.236 2.205 2.287 . 0 0 "[ . 1 . 2]" 3 480 1 117 PHE QB 1 163 PHE H 5.600 . 5.600 2.804 2.019 3.514 . 0 0 "[ . 1 . 2]" 3 481 1 118 GLN QB 1 119 LEU H . . 4.800 3.835 2.734 4.030 . 0 0 "[ . 1 . 2]" 3 482 1 119 LEU H 1 119 LEU QB 3.000 . 3.500 2.327 2.060 2.694 . 0 0 "[ . 1 . 2]" 3 483 1 119 LEU HA 1 120 ARG H 2.400 . 2.900 2.310 2.212 2.428 . 0 0 "[ . 1 . 2]" 3 484 1 119 LEU QD 1 120 ARG H . . 6.500 2.723 1.737 3.874 0.063 9 0 "[ . 1 . 2]" 3 485 1 119 LEU QD 1 161 ASN H . . 6.400 4.154 2.294 4.735 . 0 0 "[ . 1 . 2]" 3 486 1 119 LEU QD 1 161 ASN QD . . 6.100 2.578 1.682 3.742 0.118 11 0 "[ . 1 . 2]" 3 487 1 120 ARG H 1 120 ARG HA 2.500 . 3.000 2.975 2.754 3.003 0.003 14 0 "[ . 1 . 2]" 3 488 1 120 ARG H 1 120 ARG QB 3.000 . 3.500 2.576 2.027 3.231 . 0 0 "[ . 1 . 2]" 3 489 1 120 ARG H 1 120 ARG QG 3.200 . 3.700 2.672 1.989 3.392 . 0 0 "[ . 1 . 2]" 3 490 1 120 ARG HA 1 121 GLY H 4.600 . 5.100 3.078 2.280 3.595 . 0 0 "[ . 1 . 2]" 3 491 1 121 GLY QA 1 122 LYS H . . 3.800 2.260 2.159 2.594 . 0 0 "[ . 1 . 2]" 3 492 1 122 LYS H 1 122 LYS HA 2.400 . 2.900 2.775 2.362 2.990 0.090 18 0 "[ . 1 . 2]" 3 493 1 122 LYS H 1 122 LYS QB 3.100 . 3.600 2.888 2.370 3.273 . 0 0 "[ . 1 . 2]" 3 494 1 122 LYS H 1 122 LYS QG . . 4.700 2.688 1.881 4.197 . 0 0 "[ . 1 . 2]" 3 495 1 123 GLY QA 1 124 ALA H 3.400 . 3.500 2.559 2.272 2.936 . 0 0 "[ . 1 . 2]" 3 496 1 124 ALA H 1 124 ALA HA 2.200 . 2.700 2.729 2.369 2.927 0.227 10 0 "[ . 1 . 2]" 3 497 1 124 ALA H 1 124 ALA MB 3.000 . 3.500 2.685 1.917 2.936 . 0 0 "[ . 1 . 2]" 3 498 1 124 ALA HA 1 125 ASP H 3.000 . 3.500 3.444 2.122 3.566 0.066 19 0 "[ . 1 . 2]" 3 499 1 124 ALA MB 1 125 ASP H 3.100 . 3.600 2.719 1.930 3.442 . 0 0 "[ . 1 . 2]" 3 500 1 125 ASP H 1 125 ASP QB 3.000 . 3.500 2.882 2.160 3.143 . 0 0 "[ . 1 . 2]" 3 501 1 125 ASP H 1 126 ILE MD . . 5.100 3.132 2.171 4.142 . 0 0 "[ . 1 . 2]" 3 502 1 126 ILE H 1 126 ILE HA 2.400 . 2.900 2.915 2.841 2.969 0.069 1 0 "[ . 1 . 2]" 3 503 1 126 ILE H 1 126 ILE HB 3.000 . 3.500 2.726 2.308 3.538 0.038 7 0 "[ . 1 . 2]" 3 504 1 126 ILE H 1 126 ILE QG 3.200 . 3.700 2.160 1.838 2.776 . 0 0 "[ . 1 . 2]" 3 505 1 126 ILE H 1 126 ILE MD . . 3.800 2.573 2.047 3.183 . 0 0 "[ . 1 . 2]" 3 506 1 126 ILE HA 1 129 LEU H . . 3.800 3.475 3.208 3.733 . 0 0 "[ . 1 . 2]" 3 507 1 126 ILE MG 1 128 GLU H 5.600 . 5.700 4.723 4.581 4.942 . 0 0 "[ . 1 . 2]" 3 508 1 126 ILE MG 1 187 LYS H 4.500 . 4.800 3.991 3.796 4.123 . 0 0 "[ . 1 . 2]" 3 509 1 128 GLU H 1 128 GLU QB 2.300 . 2.800 2.053 1.966 2.187 . 0 0 "[ . 1 . 2]" 3 510 1 128 GLU HA 1 131 LEU H . . 3.800 3.744 3.529 3.896 0.096 10 0 "[ . 1 . 2]" 3 511 1 129 LEU H 1 129 LEU HA 3.000 . 3.500 2.915 2.882 2.960 . 0 0 "[ . 1 . 2]" 3 512 1 129 LEU H 1 129 LEU QB 3.000 . 3.500 2.213 2.153 2.551 . 0 0 "[ . 1 . 2]" 3 513 1 129 LEU H 1 129 LEU HG 3.300 . 3.800 3.695 1.780 3.928 0.128 20 0 "[ . 1 . 2]" 3 514 1 129 LEU HA 1 132 ARG H 3.000 . 3.500 3.582 3.535 3.664 0.164 11 0 "[ . 1 . 2]" 3 515 1 129 LEU QB 1 130 TRP H 3.200 . 3.700 2.468 2.334 2.772 . 0 0 "[ . 1 . 2]" 3 516 1 130 TRP H 1 130 TRP QB 3.000 . 3.500 1.997 1.899 2.084 . 0 0 "[ . 1 . 2]" 3 517 1 130 TRP H 1 131 LEU MD1 5.600 2.200 6.100 4.947 4.548 5.023 . 0 0 "[ . 1 . 2]" 3 518 1 130 TRP QB 1 131 LEU H 3.000 . 3.500 2.756 2.245 2.970 . 0 0 "[ . 1 . 2]" 3 519 1 130 TRP HE1 1 134 LEU QD . . 5.400 2.253 1.699 3.023 0.101 1 0 "[ . 1 . 2]" 3 520 1 131 LEU H 1 131 LEU QB 3.000 . 3.500 1.991 1.964 2.043 . 0 0 "[ . 1 . 2]" 3 521 1 131 LEU QB 1 132 ARG H 3.000 . 3.500 2.347 2.196 2.418 . 0 0 "[ . 1 . 2]" 3 522 1 131 LEU MD1 1 132 ARG H 4.800 . 5.300 4.224 4.057 4.301 . 0 0 "[ . 1 . 2]" 3 523 1 133 THR H 1 133 THR HA 2.800 . 3.300 2.947 2.933 2.960 . 0 0 "[ . 1 . 2]" 3 524 1 133 THR H 1 133 THR MG . 2.500 4.500 3.679 3.351 3.753 . 0 0 "[ . 1 . 2]" 3 525 1 133 THR HA 1 134 LEU H 3.500 . 3.800 3.552 3.535 3.583 . 0 0 "[ . 1 . 2]" 3 526 1 133 THR HA 1 136 ALA H . . 3.800 3.870 3.839 3.930 0.130 7 0 "[ . 1 . 2]" 3 527 1 134 LEU H 1 134 LEU QB 2.700 . 3.200 2.283 2.252 2.370 . 0 0 "[ . 1 . 2]" 3 528 1 134 LEU QB 1 135 LEU H 3.000 . 3.500 2.192 2.007 2.368 . 0 0 "[ . 1 . 2]" 3 529 1 135 LEU H 1 135 LEU QB 2.300 . 2.800 2.202 2.065 2.287 . 0 0 "[ . 1 . 2]" 3 530 1 135 LEU H 1 135 LEU MD2 . . 5.000 3.162 3.001 4.047 . 0 0 "[ . 1 . 2]" 3 531 1 135 LEU HA 1 138 ILE H 3.500 . 3.800 3.705 3.458 3.847 0.047 10 0 "[ . 1 . 2]" 3 532 1 135 LEU QB 1 136 ALA H 3.400 . 3.800 3.353 2.048 3.476 . 0 0 "[ . 1 . 2]" 3 533 1 135 LEU MD2 1 136 ALA H . . 4.400 3.551 3.186 3.601 . 0 0 "[ . 1 . 2]" 3 534 1 136 ALA MB 1 137 VAL H 2.700 . 3.200 2.553 2.477 2.660 . 0 0 "[ . 1 . 2]" 3 535 1 137 VAL H 1 137 VAL HA 3.000 . 3.500 2.835 2.803 2.883 . 0 0 "[ . 1 . 2]" 3 536 1 137 VAL HB 1 138 ILE H 3.500 . 4.000 3.258 3.023 3.583 . 0 0 "[ . 1 . 2]" 3 537 1 137 VAL MG1 1 138 ILE H 5.600 . 6.100 2.329 1.858 2.935 . 0 0 "[ . 1 . 2]" 3 538 1 138 ILE H 1 138 ILE MG 2.700 . 3.200 1.895 1.798 2.164 0.002 4 0 "[ . 1 . 2]" 3 539 1 138 ILE H 1 138 ILE QG . . 4.800 2.267 2.156 2.418 . 0 0 "[ . 1 . 2]" 3 540 1 138 ILE MG 1 139 GLY H . 2.200 4.200 3.516 3.435 3.713 . 0 0 "[ . 1 . 2]" 3 541 1 140 GLU H 1 140 GLU QB 3.600 . 3.800 2.586 2.205 3.060 . 0 0 "[ . 1 . 2]" 3 542 1 140 GLU HA 1 141 THR H 2.100 . 2.600 2.731 2.676 2.893 0.293 1 0 "[ . 1 . 2]" 3 543 1 141 THR H 1 141 THR MG 2.500 . 3.000 2.055 1.861 2.313 . 0 0 "[ . 1 . 2]" 3 544 1 142 ILE H 1 142 ILE MG . 2.500 4.500 3.355 2.242 3.815 0.258 17 0 "[ . 1 . 2]" 3 545 1 142 ILE HA 1 143 ASP H . . 3.900 3.531 3.434 3.580 . 0 0 "[ . 1 . 2]" 3 546 1 142 ILE MG 1 143 ASP H 3.000 . 3.500 2.473 1.816 2.845 . 0 0 "[ . 1 . 2]" 3 547 1 142 ILE QG 1 143 ASP H 5.600 . 6.100 4.364 3.948 4.634 . 0 0 "[ . 1 . 2]" 3 548 1 143 ASP H 1 143 ASP QB 3.000 . 3.500 2.715 2.003 3.218 . 0 0 "[ . 1 . 2]" 3 549 1 143 ASP HA 1 144 GLU H 3.300 . 3.800 2.536 2.209 3.595 . 0 0 "[ . 1 . 2]" 3 550 1 145 ASP H 1 145 ASP QB 3.300 . 3.800 2.685 2.070 3.008 . 0 0 "[ . 1 . 2]" 3 551 1 145 ASP QB 1 146 ASP H . . 3.800 2.913 1.893 3.488 . 0 0 "[ . 1 . 2]" 3 552 1 146 ASP H 1 146 ASP QB 3.000 . 3.500 2.390 2.084 3.001 . 0 0 "[ . 1 . 2]" 3 553 1 146 ASP HA 1 147 SER H 3.100 . 3.600 3.168 2.525 3.590 . 0 0 "[ . 1 . 2]" 3 554 1 147 SER H 1 147 SER QB 3.100 . 3.600 2.729 2.017 3.018 . 0 0 "[ . 1 . 2]" 3 555 1 149 ILE H 1 149 ILE HB 2.300 . 2.800 2.311 1.930 2.809 0.009 11 0 "[ . 1 . 2]" 3 556 1 149 ILE H 1 149 ILE MG . . 4.500 3.550 3.072 3.895 . 0 0 "[ . 1 . 2]" 3 557 1 149 ILE MG 1 150 ASN H 3.500 . 3.800 1.766 1.687 1.825 0.113 19 0 "[ . 1 . 2]" 3 558 1 149 ILE MG 1 151 GLY H . . 3.800 2.259 1.920 2.638 . 0 0 "[ . 1 . 2]" 3 559 1 149 ILE QG 1 150 ASN QD 6.600 . 7.100 5.373 4.979 5.873 . 0 0 "[ . 1 . 2]" 3 560 1 150 ASN H 1 150 ASN QB 3.200 . 3.700 2.459 2.246 3.100 . 0 0 "[ . 1 . 2]" 3 561 1 150 ASN H 1 167 THR HA 2.200 . 2.700 2.555 2.162 2.744 0.044 14 0 "[ . 1 . 2]" 3 562 1 150 ASN QB 1 151 GLY H . . 4.100 2.976 2.324 3.578 . 0 0 "[ . 1 . 2]" 3 563 1 151 GLY H 1 151 GLY QA 2.300 . 2.800 2.526 2.479 2.541 . 0 0 "[ . 1 . 2]" 3 564 1 151 GLY H 1 166 TRP QB . . 3.800 2.660 2.467 2.970 . 0 0 "[ . 1 . 2]" 3 565 1 151 GLY H 1 167 THR HA . . 3.800 3.859 3.435 3.994 0.194 16 0 "[ . 1 . 2]" 3 566 1 151 GLY QA 1 152 VAL H . . 4.100 2.287 2.237 2.332 . 0 0 "[ . 1 . 2]" 3 567 1 151 GLY QA 1 166 TRP H . . 4.900 4.240 4.073 4.335 . 0 0 "[ . 1 . 2]" 3 568 1 152 VAL H 1 152 VAL HB 3.100 . 3.600 3.668 3.621 3.707 0.107 14 0 "[ . 1 . 2]" 3 569 1 152 VAL H 1 152 VAL MG1 . . 3.800 3.135 3.038 3.213 . 0 0 "[ . 1 . 2]" 3 570 1 152 VAL H 1 152 VAL MG2 . . 3.800 1.913 1.819 2.041 . 0 0 "[ . 1 . 2]" 3 571 1 152 VAL HB 1 153 VAL H 2.900 . 3.400 2.519 2.314 2.846 . 0 0 "[ . 1 . 2]" 3 572 1 153 VAL H 1 153 VAL MG2 . . 3.800 3.121 3.022 3.191 . 0 0 "[ . 1 . 2]" 3 573 1 153 VAL HB 1 164 ALA H 3.400 . 3.800 3.051 2.744 3.572 . 0 0 "[ . 1 . 2]" 3 574 1 153 VAL MG1 1 164 ALA H . . 5.100 3.075 2.785 3.690 . 0 0 "[ . 1 . 2]" 3 575 1 153 VAL MG1 1 166 TRP HE1 5.100 . 5.600 4.483 4.220 4.604 . 0 0 "[ . 1 . 2]" 3 576 1 153 VAL MG2 1 164 ALA H 5.600 . 5.900 4.549 4.315 4.919 . 0 0 "[ . 1 . 2]" 3 577 1 154 LEU H 1 154 LEU MD1 5.000 . 5.500 4.608 4.568 4.645 . 0 0 "[ . 1 . 2]" 3 578 1 154 LEU HG 1 155 SER H 3.500 2.200 4.000 2.319 2.153 2.455 0.047 9 0 "[ . 1 . 2]" 3 579 1 155 SER H 1 155 SER QB 3.000 . 3.500 3.069 2.877 3.295 . 0 0 "[ . 1 . 2]" 3 580 1 155 SER QB 1 156 ILE H . . 3.800 3.449 3.328 3.511 . 0 0 "[ . 1 . 2]" 3 581 1 155 SER QB 1 162 LYS H 5.600 . 6.100 4.225 3.843 5.122 . 0 0 "[ . 1 . 2]" 3 582 1 156 ILE H 1 156 ILE HA 2.800 . 3.300 2.973 2.957 2.987 . 0 0 "[ . 1 . 2]" 3 583 1 156 ILE H 1 156 ILE HB 2.800 . 3.300 2.372 2.310 2.435 . 0 0 "[ . 1 . 2]" 3 584 1 156 ILE H 1 156 ILE MG . . 4.300 3.728 3.701 3.755 . 0 0 "[ . 1 . 2]" 3 585 1 156 ILE H 1 156 ILE QG 3.000 . 3.500 2.519 2.381 2.638 . 0 0 "[ . 1 . 2]" 3 586 1 156 ILE MG 1 157 ARG H 2.800 . 3.300 1.988 1.887 2.142 . 0 0 "[ . 1 . 2]" 3 587 1 156 ILE QG 1 157 ARG H 5.600 . 5.800 4.021 3.937 4.283 . 0 0 "[ . 1 . 2]" 3 588 1 156 ILE MD 1 157 ARG H . . 5.300 4.367 3.966 4.505 . 0 0 "[ . 1 . 2]" 3 589 1 156 ILE MD 1 161 ASN QD 6.600 . 7.100 3.878 2.530 4.548 . 0 0 "[ . 1 . 2]" 3 590 1 157 ARG H 1 161 ASN HA 2.300 . 2.800 2.586 2.055 2.939 0.139 16 0 "[ . 1 . 2]" 3 591 1 157 ARG HA 1 158 LYS H 3.200 . 3.700 2.729 2.260 3.550 . 0 0 "[ . 1 . 2]" 3 592 1 158 LYS H 1 158 LYS QB 2.300 . 2.800 2.242 1.924 2.703 . 0 0 "[ . 1 . 2]" 3 593 1 159 GLY QA 1 160 GLY H 3.300 . 3.800 2.683 2.424 2.942 . 0 0 "[ . 1 . 2]" 3 594 1 160 GLY QA 1 161 ASN H 3.000 . 3.500 2.319 2.233 2.481 . 0 0 "[ . 1 . 2]" 3 595 1 161 ASN H 1 161 ASN QB 3.300 . 3.800 2.975 2.465 3.461 . 0 0 "[ . 1 . 2]" 3 596 1 161 ASN QB 1 162 LYS H 5.600 . 6.100 2.686 2.355 3.189 . 0 0 "[ . 1 . 2]" 3 597 1 162 LYS QB 1 163 PHE H . . 3.800 3.361 2.870 3.534 . 0 0 "[ . 1 . 2]" 3 598 1 163 PHE H 1 163 PHE QB 3.000 . 3.500 2.676 2.260 2.931 . 0 0 "[ . 1 . 2]" 3 599 1 163 PHE QB 1 164 ALA H 3.100 . 3.600 2.920 2.604 3.430 . 0 0 "[ . 1 . 2]" 3 600 1 164 ALA H 1 164 ALA MB 2.400 . 2.900 2.245 2.075 2.386 . 0 0 "[ . 1 . 2]" 3 601 1 164 ALA MB 1 165 LEU H 4.000 . 4.100 3.186 2.396 3.553 . 0 0 "[ . 1 . 2]" 3 602 1 165 LEU H 1 165 LEU QB . . 3.800 2.193 1.980 2.786 . 0 0 "[ . 1 . 2]" 3 603 1 165 LEU H 1 165 LEU HG 3.200 . 3.700 3.779 3.332 3.903 0.203 18 0 "[ . 1 . 2]" 3 604 1 165 LEU HA 1 166 TRP H 2.300 . 2.500 2.245 2.218 2.264 . 0 0 "[ . 1 . 2]" 3 605 1 166 TRP H 1 166 TRP QB 3.600 . 3.800 2.291 2.184 2.385 . 0 0 "[ . 1 . 2]" 3 606 1 166 TRP HA 1 167 THR H 2.100 . 2.600 2.185 2.112 2.326 . 0 0 "[ . 1 . 2]" 3 607 1 167 THR H 1 167 THR HA 2.400 . 2.900 2.986 2.915 3.001 0.101 15 0 "[ . 1 . 2]" 3 608 1 167 THR H 1 167 THR HB 3.000 . 3.500 3.617 3.529 3.779 0.279 14 0 "[ . 1 . 2]" 3 609 1 167 THR H 1 167 THR MG 3.400 . 3.800 3.039 1.981 3.185 . 0 0 "[ . 1 . 2]" 3 610 1 167 THR HA 1 169 SER H . . 3.800 3.824 3.674 3.965 0.165 11 0 "[ . 1 . 2]" 3 611 1 167 THR HB 1 168 LYS H 3.100 . 3.600 3.311 2.511 3.662 0.062 10 0 "[ . 1 . 2]" 3 612 1 168 LYS H 1 168 LYS QB 3.200 . 3.700 2.210 2.034 2.637 . 0 0 "[ . 1 . 2]" 3 613 1 168 LYS H 1 168 LYS QG . . 4.100 3.356 1.814 3.875 . 0 0 "[ . 1 . 2]" 3 614 1 169 SER H 1 169 SER QB 3.300 . 3.700 3.019 2.447 3.285 . 0 0 "[ . 1 . 2]" 3 615 1 169 SER QB 1 170 GLU H 3.000 . 3.500 2.702 1.836 3.408 . 0 0 "[ . 1 . 2]" 3 616 1 169 SER QB 1 171 ASP H 4.200 2.200 4.700 3.697 2.346 4.342 . 0 0 "[ . 1 . 2]" 3 617 1 170 GLU H 1 170 GLU HA 2.200 . 2.700 2.555 2.363 2.920 0.220 6 0 "[ . 1 . 2]" 3 618 1 170 GLU H 1 170 GLU QG . . 3.800 2.825 1.980 3.469 . 0 0 "[ . 1 . 2]" 3 619 1 171 ASP H 1 171 ASP QB . . 3.800 2.938 1.980 3.488 . 0 0 "[ . 1 . 2]" 3 620 1 171 ASP QB 1 172 LYS H . . 4.000 3.489 3.009 3.629 . 0 0 "[ . 1 . 2]" 3 621 1 172 LYS H 1 172 LYS QB 3.000 . 3.500 2.264 2.058 3.283 . 0 0 "[ . 1 . 2]" 3 622 1 172 LYS H 1 172 LYS QG . . 3.800 2.733 2.123 3.138 . 0 0 "[ . 1 . 2]" 3 623 1 172 LYS HA 1 173 GLU H 3.000 . 3.500 3.460 3.393 3.494 . 0 0 "[ . 1 . 2]" 3 624 1 172 LYS QB 1 173 GLU H 3.000 . 3.500 3.004 2.904 3.138 . 0 0 "[ . 1 . 2]" 3 625 1 173 GLU H 1 173 GLU HA 2.200 . 2.700 2.802 2.763 2.861 0.161 18 0 "[ . 1 . 2]" 3 626 1 173 GLU H 1 173 GLU QB 3.000 . 3.500 2.050 1.952 2.138 . 0 0 "[ . 1 . 2]" 3 627 1 173 GLU HA 1 175 LEU H . . 3.800 3.927 3.884 3.963 0.163 4 0 "[ . 1 . 2]" 3 628 1 173 GLU HA 1 176 LEU H 3.400 . 3.800 3.872 3.815 3.920 0.120 1 0 "[ . 1 . 2]" 3 629 1 174 PRO HA 1 177 ARG H 3.000 2.300 3.500 3.537 3.413 3.617 0.117 6 0 "[ . 1 . 2]" 3 630 1 175 LEU H 1 175 LEU QB 3.000 . 3.500 2.268 1.956 2.562 . 0 0 "[ . 1 . 2]" 3 631 1 175 LEU H 1 175 LEU HG 3.100 . 3.600 2.552 1.887 3.756 0.156 8 0 "[ . 1 . 2]" 3 632 1 175 LEU H 1 175 LEU MD1 . . 4.200 3.179 1.757 3.629 0.043 15 0 "[ . 1 . 2]" 3 633 1 175 LEU H 1 176 LEU MD1 . . 5.100 3.624 3.514 3.724 . 0 0 "[ . 1 . 2]" 3 634 1 175 LEU QB 1 176 LEU H . . 3.800 2.187 2.076 2.326 . 0 0 "[ . 1 . 2]" 3 635 1 176 LEU H 1 176 LEU QB 2.700 . 3.200 2.171 2.138 2.190 . 0 0 "[ . 1 . 2]" 3 636 1 176 LEU H 1 176 LEU MD1 . . 3.800 1.786 1.759 1.855 0.041 17 0 "[ . 1 . 2]" 3 637 1 176 LEU MD1 1 177 ARG H . . 4.800 3.868 3.835 3.914 . 0 0 "[ . 1 . 2]" 3 638 1 177 ARG H 1 177 ARG HA 2.500 . 3.000 2.930 2.913 2.957 . 0 0 "[ . 1 . 2]" 3 639 1 177 ARG H 1 177 ARG QB 2.300 . 2.800 2.060 1.977 2.179 . 0 0 "[ . 1 . 2]" 3 640 1 177 ARG H 1 177 ARG QG 3.000 . 3.500 2.849 2.530 3.115 . 0 0 "[ . 1 . 2]" 3 641 1 178 ILE H 1 178 ILE MG 3.300 . 3.800 2.634 1.829 3.183 . 0 0 "[ . 1 . 2]" 3 642 1 178 ILE H 1 178 ILE MD . 2.400 4.500 3.544 3.100 3.785 . 0 0 "[ . 1 . 2]" 3 643 1 178 ILE HB 1 179 GLY H 3.500 . 3.800 3.398 2.971 3.833 0.033 20 0 "[ . 1 . 2]" 3 644 1 178 ILE MG 1 179 GLY H . 2.200 4.200 2.570 1.830 3.363 0.370 1 0 "[ . 1 . 2]" 3 645 1 179 GLY QA 1 180 GLY H 4.300 . 4.400 2.697 2.598 2.835 . 0 0 "[ . 1 . 2]" 3 646 1 180 GLY QA 1 181 LYS H 5.600 . 6.100 2.584 2.483 2.653 . 0 0 "[ . 1 . 2]" 3 647 1 180 GLY QA 1 182 PHE H 4.500 . 5.000 4.233 3.547 4.537 . 0 0 "[ . 1 . 2]" 3 648 1 181 LYS H 1 181 LYS QB 2.800 . 3.300 2.186 1.899 2.436 . 0 0 "[ . 1 . 2]" 3 649 1 181 LYS H 1 181 LYS QG 3.100 . 3.600 2.484 1.863 3.249 . 0 0 "[ . 1 . 2]" 3 650 1 181 LYS HA 1 184 GLN H 3.600 . 3.800 3.577 3.262 3.854 0.054 20 0 "[ . 1 . 2]" 3 651 1 182 PHE H 1 182 PHE QB 2.300 . 2.800 2.075 1.912 2.228 . 0 0 "[ . 1 . 2]" 3 652 1 182 PHE QB 1 183 LYS H 3.400 . 3.800 2.908 2.653 3.116 . 0 0 "[ . 1 . 2]" 3 653 1 183 LYS H 1 183 LYS QB 3.000 . 3.500 1.932 1.901 1.999 . 0 0 "[ . 1 . 2]" 3 654 1 183 LYS H 1 183 LYS QG 3.500 . 3.800 3.450 3.279 3.607 . 0 0 "[ . 1 . 2]" 3 655 1 183 LYS H 1 194 LEU QD . . 4.400 3.044 2.433 3.298 . 0 0 "[ . 1 . 2]" 3 656 1 183 LYS HA 1 186 LEU H 4.600 . 5.100 3.885 3.324 4.586 . 0 0 "[ . 1 . 2]" 3 657 1 183 LYS QB 1 184 GLN H 3.000 . 3.500 2.718 2.133 3.020 . 0 0 "[ . 1 . 2]" 3 658 1 183 LYS QB 1 184 GLN QE 6.600 . 7.100 3.769 2.546 4.858 . 0 0 "[ . 1 . 2]" 3 659 1 184 GLN H 1 184 GLN HA 2.500 . 3.000 2.869 2.756 2.965 . 0 0 "[ . 1 . 2]" 3 660 1 184 GLN H 1 184 GLN QB 3.300 . 3.800 2.121 1.910 2.611 . 0 0 "[ . 1 . 2]" 3 661 1 184 GLN H 1 185 VAL HB 4.600 . 5.100 4.665 4.236 5.113 0.013 16 0 "[ . 1 . 2]" 3 662 1 184 GLN HA 1 184 GLN QE . . 4.300 2.979 2.707 3.416 . 0 0 "[ . 1 . 2]" 3 663 1 184 GLN HA 1 187 LYS H 3.100 . 3.600 3.415 3.071 3.630 0.030 12 0 "[ . 1 . 2]" 3 664 1 184 GLN QB 1 185 VAL H 3.300 . 3.800 2.573 2.338 2.823 . 0 0 "[ . 1 . 2]" 3 665 1 184 GLN QB 1 186 LEU H 4.500 . 4.800 4.455 4.376 4.541 . 0 0 "[ . 1 . 2]" 3 666 1 185 VAL HA 1 186 LEU H 4.600 . 5.100 3.529 3.514 3.569 . 0 0 "[ . 1 . 2]" 3 667 1 185 VAL HB 1 187 LYS H 4.000 . 4.500 4.580 4.176 4.643 0.143 18 0 "[ . 1 . 2]" 3 668 1 185 VAL QG 1 186 LEU H 4.100 . 4.500 3.229 2.910 3.318 . 0 0 "[ . 1 . 2]" 3 669 1 186 LEU H 1 186 LEU MD1 . . 4.100 3.449 1.900 3.555 . 0 0 "[ . 1 . 2]" 3 670 1 186 LEU HA 1 187 LYS H 4.600 . 5.100 3.356 3.189 3.413 . 0 0 "[ . 1 . 2]" 3 671 1 187 LYS H 1 187 LYS HA 2.300 . 2.800 2.396 2.358 2.958 0.158 11 0 "[ . 1 . 2]" 3 672 1 187 LYS HA 1 188 LEU H 2.300 . 2.800 2.880 2.691 2.946 0.146 19 0 "[ . 1 . 2]" 3 673 1 188 LEU H 1 188 LEU HA 3.000 . 3.500 2.916 2.410 2.991 . 0 0 "[ . 1 . 2]" 3 674 1 188 LEU H 1 188 LEU QB 2.300 . 2.800 2.345 1.934 2.534 . 0 0 "[ . 1 . 2]" 3 675 1 188 LEU H 1 188 LEU MD1 . . 5.300 3.960 3.346 4.410 . 0 0 "[ . 1 . 2]" 3 676 1 188 LEU HG 1 189 THR H 2.300 . 2.800 2.785 2.202 3.059 0.259 3 0 "[ . 1 . 2]" 3 677 1 189 THR H 1 189 THR MG 3.500 . 3.800 2.544 1.875 3.150 . 0 0 "[ . 1 . 2]" 3 678 1 191 ASP H 1 191 ASP QB 3.000 . 3.500 2.713 1.933 2.991 . 0 0 "[ . 1 . 2]" 3 679 1 192 GLY QA 1 193 HIS H 3.400 . 3.600 2.602 2.171 2.945 . 0 0 "[ . 1 . 2]" 3 680 1 193 HIS H 1 193 HIS HA 2.400 . 2.900 2.733 2.358 2.991 0.091 7 0 "[ . 1 . 2]" 3 681 1 193 HIS H 1 193 HIS QB 3.000 . 3.500 2.755 2.164 3.319 . 0 0 "[ . 1 . 2]" 3 682 1 193 HIS QB 1 194 LEU H 4.000 . 4.000 3.180 2.128 3.871 . 0 0 "[ . 1 . 2]" 3 683 1 194 LEU H 1 213 LEU QB 3.200 . 3.700 2.742 1.860 3.431 . 0 0 "[ . 1 . 2]" 3 684 1 194 LEU QB 1 195 GLU H . . 4.700 3.167 2.460 3.938 . 0 0 "[ . 1 . 2]" 3 685 1 194 LEU QD 1 195 GLU H . . 6.400 2.941 1.949 4.149 . 0 0 "[ . 1 . 2]" 3 686 1 195 GLU H 1 195 GLU QB 3.000 . 3.500 2.536 2.134 2.772 . 0 0 "[ . 1 . 2]" 3 687 1 195 GLU H 1 213 LEU QB 5.600 . 6.100 5.096 4.538 5.331 . 0 0 "[ . 1 . 2]" 3 688 1 197 PHE H 1 197 PHE QB 3.000 . 3.500 2.381 2.266 2.526 . 0 0 "[ . 1 . 2]" 3 689 1 198 PRO QB 1 199 HIS H 4.500 . 5.000 3.094 2.329 3.672 . 0 0 "[ . 1 . 2]" 3 690 1 199 HIS H 1 199 HIS QB . . 3.800 2.287 2.187 2.551 . 0 0 "[ . 1 . 2]" 3 691 1 199 HIS HA 1 200 SER H 3.100 . 3.600 3.497 3.467 3.518 . 0 0 "[ . 1 . 2]" 3 692 1 199 HIS HA 1 202 ALA H . . 3.800 3.425 3.199 3.795 . 0 0 "[ . 1 . 2]" 3 693 1 200 SER H 1 200 SER QB 2.300 . 2.800 1.904 1.885 1.936 . 0 0 "[ . 1 . 2]" 3 694 1 201 SER H 1 201 SER HA 2.400 . 2.900 2.933 2.904 2.975 0.075 17 0 "[ . 1 . 2]" 3 695 1 201 SER H 1 201 SER QB 3.000 . 3.500 2.284 1.958 2.835 . 0 0 "[ . 1 . 2]" 3 696 1 201 SER HA 1 202 ALA H 3.000 . 3.500 3.530 3.265 3.579 0.079 6 0 "[ . 1 . 2]" 3 697 1 201 SER QB 1 202 ALA H . . 3.800 2.776 1.945 3.460 . 0 0 "[ . 1 . 2]" 3 698 1 202 ALA H 1 202 ALA HA 2.300 . 2.800 2.872 2.754 2.960 0.160 18 0 "[ . 1 . 2]" 3 699 1 202 ALA H 1 202 ALA MB 2.800 . 3.300 2.119 1.899 2.764 . 0 0 "[ . 1 . 2]" 3 700 1 203 ASN H 1 203 ASN HA 2.300 . 2.800 2.858 2.767 2.948 0.148 6 0 "[ . 1 . 2]" 3 701 1 203 ASN H 1 203 ASN QB . . 3.800 2.812 2.095 3.451 . 0 0 "[ . 1 . 2]" 3 702 1 204 GLY QA 1 205 ARG H 3.200 . 3.500 2.646 2.264 2.938 . 0 0 "[ . 1 . 2]" 3 703 1 205 ARG H 1 205 ARG QB 3.000 . 3.500 2.466 1.942 3.153 . 0 0 "[ . 1 . 2]" 3 704 1 205 ARG HA 1 206 HIS H . . 3.800 2.741 2.213 3.592 . 0 0 "[ . 1 . 2]" 3 705 1 210 SER H 1 210 SER HA 2.400 . 2.900 2.976 2.938 2.992 0.092 6 0 "[ . 1 . 2]" 3 706 1 210 SER H 1 210 SER QB 3.000 . 3.500 2.457 2.171 2.668 . 0 0 "[ . 1 . 2]" 3 707 1 210 SER H 1 211 ILE QG . . 5.100 4.020 3.836 4.148 . 0 0 "[ . 1 . 2]" 3 708 1 210 SER HA 1 211 ILE H . . 3.800 3.592 3.565 3.619 . 0 0 "[ . 1 . 2]" 3 709 1 210 SER QB 1 211 ILE H . . 3.800 2.308 2.063 2.521 . 0 0 "[ . 1 . 2]" 3 710 1 211 ILE H 1 211 ILE MG . . 4.400 3.818 3.704 3.948 . 0 0 "[ . 1 . 2]" 3 711 1 211 ILE H 1 211 ILE QG 3.300 . 3.700 2.302 2.083 2.519 . 0 0 "[ . 1 . 2]" 3 712 1 211 ILE QG 1 212 THR H . . 4.800 4.231 4.069 4.361 . 0 0 "[ . 1 . 2]" 3 713 1 212 THR H 1 212 THR MG . 2.200 4.200 3.264 2.993 3.415 . 0 0 "[ . 1 . 2]" 3 714 1 212 THR HB 1 213 LEU H 3.600 . 3.800 3.962 3.896 4.008 0.208 14 0 "[ . 1 . 2]" 3 715 1 213 LEU H 1 213 LEU QB 3.200 . 3.700 2.142 2.053 2.207 . 0 0 "[ . 1 . 2]" 3 716 1 34 ASP H 1 34 ASP HA 2.400 . 2.900 2.896 2.369 2.994 0.094 17 0 "[ . 1 . 2]" 3 717 1 34 ASP HA 1 35 VAL H 3.000 . 3.500 3.487 3.112 3.576 0.076 9 0 "[ . 1 . 2]" 3 718 1 35 VAL HA 1 36 LYS H 2.700 . 3.200 3.125 2.475 3.450 0.250 19 0 "[ . 1 . 2]" 3 719 1 39 LEU H 1 39 LEU HA 2.300 . 2.800 2.854 2.338 2.985 0.185 6 0 "[ . 1 . 2]" 3 720 1 39 LEU H 1 39 LEU HG 3.600 . 3.800 2.494 1.818 3.966 0.166 2 0 "[ . 1 . 2]" 3 721 1 40 ASN HA 1 41 THR H 2.700 . 3.200 3.097 2.873 3.443 0.243 3 0 "[ . 1 . 2]" 3 722 1 41 THR HB 1 42 LYS H 3.500 . 3.800 3.892 3.823 4.017 0.217 8 0 "[ . 1 . 2]" 3 723 1 41 THR HA 1 42 LYS H 2.500 . 3.000 2.497 2.273 2.611 . 0 0 "[ . 1 . 2]" 3 724 1 42 LYS HA 1 43 TRP H 2.500 . 3.000 2.231 2.116 2.307 . 0 0 "[ . 1 . 2]" 3 725 1 44 THR HA 1 45 LEU H 2.000 . 2.500 2.415 2.158 2.550 0.050 4 0 "[ . 1 . 2]" 3 726 1 45 LEU HA 1 46 TRP H 2.000 . 2.500 2.293 2.256 2.350 . 0 0 "[ . 1 . 2]" 3 727 1 46 TRP HA 1 47 TYR H 2.200 . 2.700 2.242 2.209 2.265 . 0 0 "[ . 1 . 2]" 3 728 1 47 TYR HA 1 48 THR H 2.000 . 2.500 2.387 2.254 2.564 0.064 4 0 "[ . 1 . 2]" 3 729 1 48 THR HA 1 49 LYS H 2.700 . 3.200 2.377 2.197 2.550 . 0 0 "[ . 1 . 2]" 3 730 1 51 ALA H 1 51 ALA HA 2.300 . 2.800 2.790 2.373 2.985 0.185 9 0 "[ . 1 . 2]" 3 731 1 51 ALA H 1 51 ALA MB 3.000 . 3.500 2.804 2.158 2.973 . 0 0 "[ . 1 . 2]" 3 732 1 51 ALA HA 1 52 VAL H 2.800 . 3.300 3.413 3.026 3.528 0.228 10 0 "[ . 1 . 2]" 3 733 1 52 VAL HB 1 53 ASP H 3.800 . 3.800 3.145 2.515 3.978 0.178 6 0 "[ . 1 . 2]" 3 734 1 53 ASP H 1 53 ASP HA 2.300 . 2.800 2.510 2.348 2.924 0.124 20 0 "[ . 1 . 2]" 3 735 1 53 ASP HA 1 54 LYS H 2.700 . 3.200 2.955 2.147 3.466 0.266 1 0 "[ . 1 . 2]" 3 736 1 53 ASP HA 1 55 SER H 3.300 . 3.800 3.796 3.357 3.963 0.163 3 0 "[ . 1 . 2]" 3 737 1 53 ASP HA 1 56 GLU H 3.800 . 4.300 3.429 2.799 4.375 0.075 14 0 "[ . 1 . 2]" 3 738 1 54 LYS H 1 54 LYS HA 2.300 . 2.800 2.729 2.369 2.947 0.147 9 0 "[ . 1 . 2]" 3 739 1 54 LYS HA 1 55 SER H 2.800 . 3.300 3.382 3.099 3.516 0.216 12 0 "[ . 1 . 2]" 3 740 1 55 SER H 1 55 SER HA 2.300 . 2.800 2.819 2.382 2.984 0.184 19 0 "[ . 1 . 2]" 3 741 1 56 GLU H 1 56 GLU HA 2.400 . 2.900 2.709 2.349 2.977 0.077 1 0 "[ . 1 . 2]" 3 742 1 57 SER H 1 57 SER HA 2.300 . 2.800 2.906 2.785 2.981 0.181 11 0 "[ . 1 . 2]" 3 743 1 58 TRP H 1 58 TRP HA 2.300 . 2.800 2.782 2.757 2.803 0.003 1 0 "[ . 1 . 2]" 3 744 1 61 LEU H 1 61 LEU HA 2.400 . 2.900 2.969 2.928 2.987 0.087 6 0 "[ . 1 . 2]" 3 745 1 61 LEU H 1 61 LEU HG 3.400 . 3.800 2.086 1.826 3.923 0.123 7 0 "[ . 1 . 2]" 3 746 1 62 LEU HA 1 63 ARG H 2.000 . 2.500 2.200 2.175 2.222 . 0 0 "[ . 1 . 2]" 3 747 1 64 PRO HA 1 65 VAL H 2.000 . 2.500 2.256 2.228 2.297 . 0 0 "[ . 1 . 2]" 3 748 1 65 VAL HA 1 66 THR H 2.700 . 3.200 3.009 2.780 3.087 . 0 0 "[ . 1 . 2]" 3 749 1 66 THR HA 1 67 SER H 2.000 . 2.500 2.164 2.119 2.237 . 0 0 "[ . 1 . 2]" 3 750 1 67 SER HA 1 68 PHE H 2.500 . 3.000 2.281 2.213 2.362 . 0 0 "[ . 1 . 2]" 3 751 1 68 PHE HA 1 69 GLN H 2.500 . 3.000 2.587 2.251 2.686 . 0 0 "[ . 1 . 2]" 3 752 1 65 VAL H 1 65 VAL HB 3.300 . 3.800 3.755 3.052 3.863 0.063 2 0 "[ . 1 . 2]" 3 753 1 65 VAL HB 1 66 THR H 2.700 . 3.200 1.847 1.795 2.101 0.005 7 0 "[ . 1 . 2]" 3 754 1 66 THR H 1 66 THR HA 2.300 . 2.800 2.553 2.530 2.584 . 0 0 "[ . 1 . 2]" 3 755 1 74 PHE H 1 74 PHE HA 2.300 . 2.800 2.791 2.770 2.810 0.010 12 0 "[ . 1 . 2]" 3 756 1 76 ALA H 1 76 ALA MB 2.700 . 3.200 2.045 2.001 2.088 . 0 0 "[ . 1 . 2]" 3 757 1 77 ILE H 1 77 ILE HB 3.300 . 3.800 2.609 2.511 2.680 . 0 0 "[ . 1 . 2]" 3 758 1 77 ILE HB 1 78 ILE H 3.000 . 3.500 2.847 2.658 3.060 . 0 0 "[ . 1 . 2]" 3 759 1 78 ILE H 1 78 ILE HB 3.000 . 3.500 2.769 2.730 2.818 . 0 0 "[ . 1 . 2]" 3 760 1 78 ILE H 1 78 ILE MG . . 4.200 3.693 3.684 3.705 . 0 0 "[ . 1 . 2]" 3 761 1 78 ILE MG 1 79 GLN H 4.200 . 4.700 3.949 3.853 4.008 . 0 0 "[ . 1 . 2]" 3 762 1 80 ASN H 1 80 ASN HA 2.400 . 2.900 2.896 2.877 2.912 0.012 17 0 "[ . 1 . 2]" 3 763 1 81 ILE H 1 81 ILE HA 2.300 . 2.800 2.358 2.342 2.381 . 0 0 "[ . 1 . 2]" 3 764 1 85 HIS H 1 85 HIS HA 2.400 . 2.900 2.654 2.365 2.954 0.054 10 0 "[ . 1 . 2]" 3 765 1 86 GLU H 1 86 GLU HA 2.400 . 2.900 2.987 2.979 2.993 0.093 3 0 "[ . 1 . 2]" 3 766 1 87 LEU H 1 87 LEU HA 2.400 . 2.900 2.989 2.981 2.997 0.097 16 0 "[ . 1 . 2]" 3 767 1 87 LEU H 1 87 LEU HG 3.700 . 3.800 3.037 1.802 3.907 0.107 18 0 "[ . 1 . 2]" 3 768 1 88 PRO HA 1 89 LEU H 2.700 . 3.200 2.574 2.205 2.922 . 0 0 "[ . 1 . 2]" 3 769 1 89 LEU H 1 89 LEU HA 2.300 . 2.800 2.541 2.352 2.817 0.017 7 0 "[ . 1 . 2]" 3 770 1 89 LEU HA 1 90 LYS H 3.000 . 3.500 2.778 2.702 2.848 . 0 0 "[ . 1 . 2]" 3 771 1 90 LYS H 1 90 LYS HA 2.300 . 2.800 2.371 2.363 2.389 . 0 0 "[ . 1 . 2]" 3 772 1 90 LYS HA 1 91 SER H 2.700 . 3.200 3.042 2.954 3.101 . 0 0 "[ . 1 . 2]" 3 773 1 91 SER H 1 91 SER HA 2.400 . 2.900 2.929 2.886 2.987 0.087 7 0 "[ . 1 . 2]" 3 774 1 91 SER HA 1 92 ASP H 2.000 . 2.500 2.469 2.410 2.543 0.043 7 0 "[ . 1 . 2]" 3 775 1 92 ASP HA 1 93 TYR H 2.000 . 2.500 2.319 2.224 2.362 . 0 0 "[ . 1 . 2]" 3 776 1 93 TYR HA 1 94 HIS H 2.000 . 2.500 2.305 2.225 2.372 . 0 0 "[ . 1 . 2]" 3 777 1 95 VAL HA 1 96 PHE H 2.000 . 2.500 2.230 2.193 2.325 . 0 0 "[ . 1 . 2]" 3 778 1 93 TYR H 1 154 LEU HG 3.800 . 4.300 4.172 3.975 4.298 . 0 0 "[ . 1 . 2]" 3 779 1 97 ARG H 1 97 ARG QG 3.800 2.200 4.200 3.494 2.121 3.941 0.079 16 0 "[ . 1 . 2]" 3 780 1 108 ALA H 1 108 ALA MB 2.700 . 3.200 2.049 1.929 2.141 . 0 0 "[ . 1 . 2]" 3 781 1 110 ALA H 1 110 ALA HA 2.300 . 2.800 2.900 2.756 2.939 0.139 13 0 "[ . 1 . 2]" 3 782 1 110 ALA H 1 110 ALA MB 2.700 . 3.200 1.977 1.881 2.098 . 0 0 "[ . 1 . 2]" 3 783 1 110 ALA MB 1 111 LYS H 2.700 . 3.200 2.154 1.795 2.731 0.005 14 0 "[ . 1 . 2]" 3 784 1 114 LYS HA 1 115 TRP H 2.000 . 2.500 2.282 2.234 2.326 . 0 0 "[ . 1 . 2]" 3 785 1 116 SER HA 1 117 PHE H 2.000 . 2.500 2.336 2.212 2.495 . 0 0 "[ . 1 . 2]" 3 786 1 118 GLN HA 1 119 LEU H 2.000 . 2.500 2.243 2.201 2.508 0.008 14 0 "[ . 1 . 2]" 3 787 1 125 ASP H 1 125 ASP HA 2.400 . 2.900 2.883 2.386 2.987 0.087 16 0 "[ . 1 . 2]" 3 788 1 125 ASP HA 1 126 ILE H 2.700 . 3.200 2.940 2.681 3.265 0.065 20 0 "[ . 1 . 2]" 3 789 1 126 ILE H 1 126 ILE MG 3.800 . 4.300 3.259 1.834 3.754 . 0 0 "[ . 1 . 2]" 3 790 1 131 LEU QB 1 133 THR H 4.000 . 4.500 4.168 4.135 4.209 . 0 0 "[ . 1 . 2]" 3 791 1 133 THR H 1 133 THR HB 2.700 . 3.200 2.597 2.213 3.225 0.025 8 0 "[ . 1 . 2]" 3 792 1 133 THR HB 1 134 LEU H 2.700 . 3.200 2.729 2.560 3.070 . 0 0 "[ . 1 . 2]" 3 793 1 134 LEU H 1 134 LEU HG 2.700 . 3.200 2.337 2.049 2.524 . 0 0 "[ . 1 . 2]" 3 794 1 136 ALA H 1 136 ALA MB 2.700 . 3.200 2.119 2.039 2.156 . 0 0 "[ . 1 . 2]" 3 795 1 137 VAL H 1 137 VAL HB 2.700 . 3.200 1.904 1.898 1.912 . 0 0 "[ . 1 . 2]" 3 796 1 138 ILE H 1 138 ILE MD 3.800 . 4.300 3.637 3.548 3.809 . 0 0 "[ . 1 . 2]" 3 797 1 140 GLU H 1 140 GLU HA 2.300 . 2.800 2.783 2.355 2.981 0.181 14 0 "[ . 1 . 2]" 3 798 1 141 THR H 1 141 THR HA 2.300 . 2.800 2.733 2.378 2.987 0.187 20 0 "[ . 1 . 2]" 3 799 1 143 ASP H 1 143 ASP HA 2.400 . 2.900 2.720 2.364 2.980 0.080 6 0 "[ . 1 . 2]" 3 800 1 145 ASP H 1 145 ASP HA 2.400 . 2.900 2.715 2.365 2.991 0.091 11 0 "[ . 1 . 2]" 3 801 1 149 ILE HA 1 150 ASN H 3.100 . 3.600 2.668 2.475 2.832 . 0 0 "[ . 1 . 2]" 3 802 1 152 VAL HA 1 153 VAL H 2.000 . 2.500 2.449 2.333 2.535 0.035 10 0 "[ . 1 . 2]" 3 803 1 152 VAL MG1 1 153 VAL H 3.800 . 4.300 3.513 3.416 3.592 . 0 0 "[ . 1 . 2]" 3 804 1 153 VAL HA 1 154 LEU H 2.000 . 2.500 2.359 2.331 2.405 . 0 0 "[ . 1 . 2]" 3 805 1 154 LEU H 1 154 LEU HG 4.000 . 4.500 4.507 4.440 4.554 0.054 4 0 "[ . 1 . 2]" 3 806 1 154 LEU HA 1 155 SER H 2.000 . 2.500 2.342 2.294 2.407 . 0 0 "[ . 1 . 2]" 3 807 1 155 SER HA 1 156 ILE H 2.000 . 2.500 2.211 2.197 2.220 . 0 0 "[ . 1 . 2]" 3 808 1 156 ILE HA 1 157 ARG H 2.000 . 2.500 2.401 2.329 2.447 . 0 0 "[ . 1 . 2]" 3 809 1 157 ARG H 1 157 ARG HA 2.400 . 2.900 2.924 2.805 2.977 0.077 18 0 "[ . 1 . 2]" 3 810 1 162 LYS HA 1 163 PHE H 2.000 . 2.500 2.296 2.202 2.454 . 0 0 "[ . 1 . 2]" 3 811 1 163 PHE HA 1 164 ALA H 2.000 . 2.500 2.338 2.232 2.460 . 0 0 "[ . 1 . 2]" 3 812 1 164 ALA HA 1 165 LEU H 2.000 . 2.500 2.275 2.205 2.472 . 0 0 "[ . 1 . 2]" 3 813 1 167 THR HA 1 168 LYS H 2.700 . 3.200 2.232 2.173 2.398 . 0 0 "[ . 1 . 2]" 3 814 1 167 THR HB 1 169 SER H 2.300 . 2.800 2.640 2.322 2.855 0.055 10 0 "[ . 1 . 2]" 3 815 1 168 LYS H 1 168 LYS HA 2.300 . 2.800 2.782 2.717 2.955 0.155 1 0 "[ . 1 . 2]" 3 816 1 168 LYS HA 1 169 SER H 3.000 . 3.500 3.495 3.289 3.544 0.044 10 0 "[ . 1 . 2]" 3 817 1 169 SER HA 1 170 GLU H 3.300 . 3.800 3.364 2.105 3.552 . 0 0 "[ . 1 . 2]" 3 818 1 171 ASP H 1 171 ASP HA 2.300 . 2.800 2.576 2.353 2.932 0.132 14 0 "[ . 1 . 2]" 3 819 1 171 ASP HA 1 172 LYS H 2.700 . 3.200 2.260 2.178 3.392 0.192 18 0 "[ . 1 . 2]" 3 820 1 172 LYS H 1 172 LYS HA 2.300 . 2.800 2.842 2.324 2.907 0.107 13 0 "[ . 1 . 2]" 3 821 1 172 LYS HA 1 175 LEU H 2.300 . 2.800 2.980 2.936 3.040 0.240 10 0 "[ . 1 . 2]" 3 822 1 176 LEU H 1 176 LEU HG 3.100 . 3.600 3.757 3.651 3.814 0.214 18 0 "[ . 1 . 2]" 3 823 1 185 VAL H 1 185 VAL HB 3.700 . 3.800 2.468 2.272 2.613 . 0 0 "[ . 1 . 2]" 3 824 1 185 VAL HB 1 186 LEU H 2.700 . 3.200 2.612 2.460 2.709 . 0 0 "[ . 1 . 2]" 3 825 1 188 LEU H 1 188 LEU HG 2.700 . 3.200 2.714 1.854 3.442 0.242 3 0 "[ . 1 . 2]" 3 826 1 188 LEU HA 1 189 THR H 2.700 . 3.200 2.862 2.314 3.276 0.076 17 0 "[ . 1 . 2]" 3 827 1 189 THR H 1 189 THR HA 2.300 . 2.800 2.842 2.733 2.979 0.179 3 0 "[ . 1 . 2]" 3 828 1 189 THR H 1 189 THR HB 3.000 . 3.500 3.439 2.504 3.662 0.162 18 0 "[ . 1 . 2]" 3 829 1 191 ASP H 1 191 ASP HA 2.300 . 2.800 2.743 2.363 2.962 0.162 10 0 "[ . 1 . 2]" 3 830 1 193 HIS HA 1 194 LEU H 3.000 . 3.500 2.784 2.199 3.573 0.073 16 0 "[ . 1 . 2]" 3 831 1 195 GLU H 1 195 GLU HA 2.400 . 2.900 2.967 2.929 2.990 0.090 7 0 "[ . 1 . 2]" 3 832 1 195 GLU HA 1 196 PHE H 2.000 . 2.500 2.203 2.159 2.242 . 0 0 "[ . 1 . 2]" 3 833 1 196 PHE HA 1 197 PHE H 2.000 . 2.500 2.225 2.191 2.302 . 0 0 "[ . 1 . 2]" 3 834 1 200 SER H 1 200 SER HA 2.400 . 2.900 2.816 2.738 2.864 . 0 0 "[ . 1 . 2]" 3 835 1 206 HIS H 1 206 HIS HA 2.300 . 2.800 2.687 2.364 2.984 0.184 7 0 "[ . 1 . 2]" 3 836 1 211 ILE HA 1 212 THR H 2.000 . 2.500 2.489 2.377 2.544 0.044 14 0 "[ . 1 . 2]" 3 837 1 211 ILE HB 1 212 THR H 2.700 . 3.200 2.733 2.343 3.147 . 0 0 "[ . 1 . 2]" 3 838 1 212 THR H 1 212 THR HA 2.400 . 2.900 2.946 2.930 2.966 0.066 18 0 "[ . 1 . 2]" 3 839 1 212 THR H 1 212 THR HB 3.700 . 3.800 3.823 3.770 3.876 0.076 4 0 "[ . 1 . 2]" 3 840 1 212 THR HA 1 213 LEU H 2.000 . 2.500 2.240 2.217 2.259 . 0 0 "[ . 1 . 2]" 3 841 1 213 LEU H 1 213 LEU HG 2.700 . 3.200 3.237 3.071 3.306 0.106 20 0 "[ . 1 . 2]" 3 842 1 19 THR H 1 20 THR H 5.600 . 6.100 3.731 1.944 4.689 . 0 0 "[ . 1 . 2]" 3 843 1 24 LYS H 1 25 THR H 3.500 . 4.000 3.217 2.189 3.995 . 0 0 "[ . 1 . 2]" 3 844 1 34 ASP H 1 36 LYS H 5.600 . 6.100 4.379 2.335 5.741 . 0 0 "[ . 1 . 2]" 3 845 1 35 VAL H 1 37 HIS H 5.600 . 6.100 4.320 3.509 6.099 . 0 0 "[ . 1 . 2]" 3 846 1 37 HIS H 1 71 VAL H 4.900 . 5.400 4.475 3.820 5.307 . 0 0 "[ . 1 . 2]" 3 847 1 39 LEU H 1 69 GLN H 5.600 . 6.100 5.339 4.001 6.309 0.209 14 0 "[ . 1 . 2]" 3 848 1 39 LEU H 1 69 GLN QE 6.600 . 7.100 5.843 2.429 6.413 . 0 0 "[ . 1 . 2]" 3 849 1 39 LEU H 1 71 VAL H 4.800 . 5.300 5.036 4.332 5.630 0.330 3 0 "[ . 1 . 2]" 3 850 1 39 LEU H 1 72 GLU H 6.500 . 7.000 6.849 5.730 7.192 0.192 14 0 "[ . 1 . 2]" 3 851 1 39 LEU H 1 70 THR H 6.000 . 6.500 4.505 3.049 5.331 . 0 0 "[ . 1 . 2]" 3 852 1 40 ASN H 1 42 LYS H 5.600 . 6.100 6.155 6.023 6.520 0.420 11 0 "[ . 1 . 2]" 3 853 1 40 ASN H 1 43 TRP HE1 5.600 . 6.100 4.806 1.831 5.523 . 0 0 "[ . 1 . 2]" 3 854 1 40 ASN QD 1 41 THR H 5.800 . 6.300 3.523 2.430 4.528 . 0 0 "[ . 1 . 2]" 3 855 1 41 THR H 1 69 GLN H 5.600 . 6.100 5.779 4.897 6.242 0.142 13 0 "[ . 1 . 2]" 3 856 1 42 LYS H 1 43 TRP H 4.500 . 5.000 4.325 4.133 4.503 . 0 0 "[ . 1 . 2]" 3 857 1 42 LYS H 1 43 TRP HE1 5.600 . 6.100 5.843 4.958 6.147 0.047 11 0 "[ . 1 . 2]" 3 858 1 42 LYS H 1 98 ASN H 5.600 . 6.100 5.269 3.645 6.141 0.041 6 0 "[ . 1 . 2]" 3 859 1 42 LYS H 1 98 ASN QD 6.600 . 7.100 5.133 3.791 6.313 . 0 0 "[ . 1 . 2]" 3 860 1 43 TRP H 1 44 THR H 5.000 . 5.500 4.429 4.139 4.600 . 0 0 "[ . 1 . 2]" 3 861 1 43 TRP H 1 69 GLN H 5.600 . 6.100 5.112 4.080 5.567 . 0 0 "[ . 1 . 2]" 3 862 1 44 THR H 1 45 LEU H 4.000 . 4.500 4.445 3.866 4.607 0.107 1 0 "[ . 1 . 2]" 3 863 1 44 THR H 1 68 PHE H 5.000 . 5.500 5.416 4.048 5.639 0.139 11 0 "[ . 1 . 2]" 3 864 1 44 THR H 1 97 ARG H 4.500 . 5.000 4.975 4.642 5.242 0.242 6 0 "[ . 1 . 2]" 3 865 1 44 THR H 1 98 ASN H 6.600 . 7.100 5.606 5.026 6.974 . 0 0 "[ . 1 . 2]" 3 866 1 45 LEU H 1 67 SER H 6.000 . 6.500 4.560 4.021 4.941 . 0 0 "[ . 1 . 2]" 3 867 1 46 TRP H 1 65 VAL H 5.600 . 6.100 4.446 4.283 4.533 . 0 0 "[ . 1 . 2]" 3 868 1 46 TRP H 1 95 VAL H 5.600 . 6.100 4.699 4.480 5.053 . 0 0 "[ . 1 . 2]" 3 869 1 48 THR H 1 94 HIS H 5.600 . 6.100 4.713 4.281 5.121 . 0 0 "[ . 1 . 2]" 3 870 1 49 LYS H 1 63 ARG H 5.600 . 6.100 5.436 4.499 6.133 0.033 5 0 "[ . 1 . 2]" 3 871 1 51 ALA H 1 54 LYS H 5.600 . 6.100 5.786 5.218 6.231 0.131 19 0 "[ . 1 . 2]" 3 872 1 52 VAL H 1 54 LYS H 5.600 . 6.100 4.899 3.381 6.216 0.116 3 0 "[ . 1 . 2]" 3 873 1 52 VAL H 1 55 SER H 5.600 . 6.100 5.698 4.314 6.182 0.082 6 0 "[ . 1 . 2]" 3 874 1 52 VAL H 1 56 GLU H 5.600 . 6.100 5.652 4.001 6.196 0.096 14 0 "[ . 1 . 2]" 3 875 1 53 ASP H 1 55 SER H 5.600 . 6.100 3.940 2.223 4.515 . 0 0 "[ . 1 . 2]" 3 876 1 53 ASP H 1 56 GLU H 5.600 . 6.100 3.708 3.044 4.244 . 0 0 "[ . 1 . 2]" 3 877 1 54 LYS H 1 56 GLU H 4.600 . 5.100 3.377 1.941 4.105 . 0 0 "[ . 1 . 2]" 3 878 1 57 SER H 1 58 TRP H 4.300 . 4.800 4.273 3.801 4.655 . 0 0 "[ . 1 . 2]" 3 879 1 57 SER H 1 59 SER H 5.000 2.200 5.500 4.750 4.227 4.987 . 0 0 "[ . 1 . 2]" 3 880 1 57 SER H 1 60 ASP H 5.600 . 6.100 3.525 2.903 3.897 . 0 0 "[ . 1 . 2]" 3 881 1 58 TRP H 1 60 ASP H 5.600 . 6.100 4.058 3.953 4.135 . 0 0 "[ . 1 . 2]" 3 882 1 58 TRP H 1 61 LEU H 5.600 . 6.100 4.979 4.705 5.184 . 0 0 "[ . 1 . 2]" 3 883 1 58 TRP HE1 1 59 SER H 5.600 . 6.100 5.878 5.550 6.151 0.051 7 0 "[ . 1 . 2]" 3 884 1 58 TRP HE1 1 62 LEU H 5.600 . 6.100 6.202 6.020 6.277 0.177 11 0 "[ . 1 . 2]" 3 885 1 59 SER H 1 62 LEU H 5.600 . 6.100 5.119 4.999 5.303 . 0 0 "[ . 1 . 2]" 3 886 1 62 LEU H 1 63 ARG H 4.000 . 4.500 4.529 4.455 4.589 0.089 19 0 "[ . 1 . 2]" 3 887 1 65 VAL H 1 67 SER H 6.000 . 6.500 6.278 5.803 6.474 . 0 0 "[ . 1 . 2]" 3 888 1 68 PHE H 1 70 THR H 5.600 . 6.100 4.716 4.285 5.869 . 0 0 "[ . 1 . 2]" 3 889 1 69 GLN H 1 73 GLU H 6.300 . 6.800 6.745 5.795 6.988 0.188 6 0 "[ . 1 . 2]" 3 890 1 70 THR H 1 72 GLU H 5.600 . 6.100 5.329 4.796 5.741 . 0 0 "[ . 1 . 2]" 3 891 1 70 THR H 1 73 GLU H 5.600 . 6.100 5.008 4.659 6.164 0.064 3 0 "[ . 1 . 2]" 3 892 1 70 THR H 1 74 PHE H 6.100 . 6.600 5.125 4.591 5.987 . 0 0 "[ . 1 . 2]" 3 893 1 71 VAL H 1 74 PHE H 5.600 . 6.100 5.140 4.264 5.502 . 0 0 "[ . 1 . 2]" 3 894 1 72 GLU H 1 75 TRP H 5.600 . 6.100 4.706 4.543 4.941 . 0 0 "[ . 1 . 2]" 3 895 1 73 GLU H 1 76 ALA H 5.600 . 6.100 4.685 4.520 4.897 . 0 0 "[ . 1 . 2]" 3 896 1 74 PHE H 1 77 ILE H 5.600 . 6.100 5.273 5.235 5.313 . 0 0 "[ . 1 . 2]" 3 897 1 75 TRP H 1 75 TRP HE1 6.100 . 6.600 6.664 6.596 6.731 0.131 12 0 "[ . 1 . 2]" 3 898 1 75 TRP H 1 78 ILE H 5.600 . 6.100 4.943 4.875 4.996 . 0 0 "[ . 1 . 2]" 3 899 1 75 TRP HE1 1 76 ALA H 6.600 . 7.100 7.080 6.818 7.213 0.113 16 0 "[ . 1 . 2]" 3 900 1 75 TRP HE1 1 79 GLN H 5.600 . 6.100 5.658 4.985 6.033 . 0 0 "[ . 1 . 2]" 3 901 1 78 ILE H 1 81 ILE H 5.600 . 6.100 5.213 5.027 5.381 . 0 0 "[ . 1 . 2]" 3 902 1 79 GLN QE 1 80 ASN QD 7.600 . 8.100 5.609 4.793 6.357 . 0 0 "[ . 1 . 2]" 3 903 1 79 GLN QE 1 81 ILE H 6.600 . 7.100 6.044 5.743 6.205 . 0 0 "[ . 1 . 2]" 3 904 1 80 ASN H 1 83 GLU H 6.600 . 7.100 6.454 6.329 6.584 . 0 0 "[ . 1 . 2]" 3 905 1 80 ASN QD 1 83 GLU H 7.600 . 8.100 6.800 6.604 6.969 . 0 0 "[ . 1 . 2]" 3 906 1 83 GLU H 1 86 GLU H 5.600 . 6.100 4.739 4.492 5.011 . 0 0 "[ . 1 . 2]" 3 907 1 83 GLU H 1 87 LEU H 5.600 . 6.100 5.432 5.092 5.770 . 0 0 "[ . 1 . 2]" 3 908 1 85 HIS H 1 124 ALA H 7.600 . 8.100 6.296 4.451 8.115 0.015 7 0 "[ . 1 . 2]" 3 909 1 85 HIS H 1 126 ILE H 7.600 . 8.100 6.192 5.341 7.118 . 0 0 "[ . 1 . 2]" 3 910 1 89 LEU H 1 91 SER H 5.600 . 6.100 4.963 4.632 5.257 . 0 0 "[ . 1 . 2]" 3 911 1 90 LYS H 1 157 ARG H 5.600 . 6.100 3.167 3.013 3.406 . 0 0 "[ . 1 . 2]" 3 912 1 90 LYS H 1 157 ARG HE 5.600 . 6.100 4.938 3.402 5.806 . 0 0 "[ . 1 . 2]" 3 913 1 90 LYS H 1 158 LYS H 5.600 . 6.100 3.671 1.925 4.684 . 0 0 "[ . 1 . 2]" 3 914 1 91 SER H 1 155 SER H 6.100 . 6.600 6.684 6.632 6.786 0.186 18 0 "[ . 1 . 2]" 3 915 1 91 SER H 1 157 ARG H 5.600 . 6.100 4.491 4.377 4.687 . 0 0 "[ . 1 . 2]" 3 916 1 91 SER H 1 157 ARG HE 5.600 . 6.100 5.400 3.880 6.114 0.014 16 0 "[ . 1 . 2]" 3 917 1 92 ASP H 1 93 TYR H 5.300 . 5.800 3.780 3.568 4.361 . 0 0 "[ . 1 . 2]" 3 918 1 94 HIS H 1 95 VAL H 5.600 . 6.100 4.255 3.843 4.470 . 0 0 "[ . 1 . 2]" 3 919 1 95 VAL H 1 154 LEU H 5.600 . 6.100 5.198 4.931 5.495 . 0 0 "[ . 1 . 2]" 3 920 1 96 PHE H 1 97 ARG H 5.300 . 5.800 4.328 4.077 4.521 . 0 0 "[ . 1 . 2]" 3 921 1 97 ARG H 1 99 ASP H 4.600 . 5.100 3.574 3.137 4.535 . 0 0 "[ . 1 . 2]" 3 922 1 98 ASN QD 1 99 ASP H 6.600 . 7.100 3.715 1.786 4.361 0.014 2 0 "[ . 1 . 2]" 3 923 1 101 ARG H 1 103 GLU H 5.600 . 6.100 4.245 3.961 4.490 . 0 0 "[ . 1 . 2]" 3 924 1 101 ARG H 1 106 ASP H 5.600 . 6.100 6.096 5.825 6.280 0.180 1 0 "[ . 1 . 2]" 3 925 1 101 ARG H 1 107 GLU H 5.600 . 6.100 4.433 3.854 5.000 . 0 0 "[ . 1 . 2]" 3 926 1 101 ARG H 1 108 ALA H 5.600 . 6.100 5.903 5.186 6.391 0.291 7 0 "[ . 1 . 2]" 3 927 1 101 ARG H 1 110 ALA H 6.000 . 6.500 5.341 4.386 5.973 . 0 0 "[ . 1 . 2]" 3 928 1 103 GLU H 1 104 TRP H 5.600 . 6.100 4.423 4.360 4.453 . 0 0 "[ . 1 . 2]" 3 929 1 103 GLU H 1 105 GLU H 6.500 . 7.000 4.058 3.633 4.582 . 0 0 "[ . 1 . 2]" 3 930 1 103 GLU H 1 106 ASP H 4.600 . 5.100 3.060 2.564 3.748 . 0 0 "[ . 1 . 2]" 3 931 1 104 TRP H 1 106 ASP H 4.600 . 5.100 4.177 4.085 4.341 . 0 0 "[ . 1 . 2]" 3 932 1 104 TRP HE1 1 105 GLU H 6.600 . 7.100 4.694 4.620 4.902 . 0 0 "[ . 1 . 2]" 3 933 1 106 ASP H 1 109 ASN H 4.600 . 5.100 3.974 3.537 4.490 . 0 0 "[ . 1 . 2]" 3 934 1 106 ASP H 1 110 ALA H 5.500 . 6.000 5.638 5.186 6.058 0.058 1 0 "[ . 1 . 2]" 3 935 1 107 GLU H 1 109 ASN QD 6.600 . 7.100 4.082 3.303 4.854 . 0 0 "[ . 1 . 2]" 3 936 1 107 GLU H 1 110 ALA H 5.000 . 5.500 4.838 4.532 5.077 . 0 0 "[ . 1 . 2]" 3 937 1 108 ALA H 1 109 ASN QD 6.600 . 7.100 3.729 2.386 5.022 . 0 0 "[ . 1 . 2]" 3 938 1 108 ALA H 1 111 LYS H 5.000 . 5.500 4.998 4.474 5.597 0.097 17 0 "[ . 1 . 2]" 3 939 1 108 ALA H 1 112 GLY H 5.800 . 6.300 5.500 4.790 6.128 . 0 0 "[ . 1 . 2]" 3 940 1 109 ASN H 1 112 GLY H 5.600 . 6.100 4.697 4.095 5.567 . 0 0 "[ . 1 . 2]" 3 941 1 109 ASN QD 1 110 ALA H 6.600 . 7.100 3.899 2.846 4.739 . 0 0 "[ . 1 . 2]" 3 942 1 113 GLY H 1 114 LYS H 5.600 . 6.100 4.358 3.827 4.522 . 0 0 "[ . 1 . 2]" 3 943 1 113 GLY H 1 168 LYS H 5.600 . 6.100 5.748 5.181 6.174 0.074 19 0 "[ . 1 . 2]" 3 944 1 113 GLY H 1 199 HIS H 3.800 . 4.300 4.346 4.166 4.444 0.144 17 0 "[ . 1 . 2]" 3 945 1 114 LYS H 1 115 TRP H 5.600 . 6.100 4.031 3.718 4.192 . 0 0 "[ . 1 . 2]" 3 946 1 114 LYS H 1 167 THR H 5.600 . 6.100 5.141 4.521 5.444 . 0 0 "[ . 1 . 2]" 3 947 1 115 TRP H 1 116 SER H 5.600 . 6.100 4.527 4.176 4.668 . 0 0 "[ . 1 . 2]" 3 948 1 115 TRP H 1 166 TRP H 5.600 . 6.100 4.854 4.618 5.043 . 0 0 "[ . 1 . 2]" 3 949 1 115 TRP HE1 1 175 LEU H 5.600 . 6.100 5.179 4.612 6.152 0.052 11 0 "[ . 1 . 2]" 3 950 1 115 TRP HE1 1 176 LEU H 5.600 . 6.100 3.728 3.401 4.323 . 0 0 "[ . 1 . 2]" 3 951 1 115 TRP HE1 1 177 ARG H 5.600 . 6.100 4.695 4.233 5.289 . 0 0 "[ . 1 . 2]" 3 952 1 116 SER H 1 165 LEU H 5.600 . 6.100 4.526 4.148 4.818 . 0 0 "[ . 1 . 2]" 3 953 1 116 SER H 1 196 PHE H 5.600 . 6.100 4.729 4.393 5.088 . 0 0 "[ . 1 . 2]" 3 954 1 116 SER H 1 197 PHE H 5.600 . 6.100 4.259 3.807 4.730 . 0 0 "[ . 1 . 2]" 3 955 1 117 PHE H 1 118 GLN H 5.600 . 6.100 4.147 3.833 4.486 . 0 0 "[ . 1 . 2]" 3 956 1 117 PHE H 1 164 ALA H 5.600 . 6.100 5.092 4.631 5.440 . 0 0 "[ . 1 . 2]" 3 957 1 117 PHE H 1 195 GLU H 5.600 . 6.100 4.687 3.880 5.222 . 0 0 "[ . 1 . 2]" 3 958 1 118 GLN H 1 163 PHE H 5.600 . 6.100 5.243 4.896 5.488 . 0 0 "[ . 1 . 2]" 3 959 1 118 GLN H 1 195 GLU H 5.600 . 6.100 4.316 3.765 5.098 . 0 0 "[ . 1 . 2]" 3 960 1 119 LEU H 1 160 GLY H 6.000 2.200 6.500 6.024 5.389 6.552 0.052 15 0 "[ . 1 . 2]" 3 961 1 119 LEU H 1 161 ASN QD 6.600 . 7.100 4.763 3.734 5.972 . 0 0 "[ . 1 . 2]" 3 962 1 119 LEU H 1 162 LYS H 5.600 . 6.100 4.980 4.628 5.270 . 0 0 "[ . 1 . 2]" 3 963 1 119 LEU H 1 163 PHE H 5.600 . 6.100 5.285 4.787 6.098 . 0 0 "[ . 1 . 2]" 3 964 1 126 ILE H 1 161 ASN QD 6.600 . 7.100 6.110 5.279 6.413 . 0 0 "[ . 1 . 2]" 3 965 1 128 GLU H 1 130 TRP H 4.600 . 5.100 3.818 3.302 4.046 . 0 0 "[ . 1 . 2]" 3 966 1 130 TRP H 1 130 TRP HE1 5.900 . 6.400 6.508 6.052 6.749 0.349 7 0 "[ . 1 . 2]" 3 967 1 130 TRP H 1 131 LEU MD2 7.000 2.200 7.500 6.219 5.884 6.379 . 0 0 "[ . 1 . 2]" 3 968 1 130 TRP H 1 132 ARG H 5.600 . 6.100 4.412 4.143 4.742 . 0 0 "[ . 1 . 2]" 3 969 1 130 TRP HE1 1 131 LEU H 5.600 . 6.100 5.326 4.318 5.959 . 0 0 "[ . 1 . 2]" 3 970 1 132 ARG H 1 134 LEU H 4.600 . 5.100 4.238 4.164 4.328 . 0 0 "[ . 1 . 2]" 3 971 1 133 THR H 1 135 LEU H 5.600 . 6.100 4.250 3.983 4.543 . 0 0 "[ . 1 . 2]" 3 972 1 133 THR H 1 136 ALA H 5.600 . 6.100 4.481 4.341 4.639 . 0 0 "[ . 1 . 2]" 3 973 1 135 LEU H 1 137 VAL H 5.600 . 6.100 4.137 3.924 4.400 . 0 0 "[ . 1 . 2]" 3 974 1 135 LEU H 1 138 ILE H 5.600 . 6.100 5.189 5.058 5.315 . 0 0 "[ . 1 . 2]" 3 975 1 138 ILE H 1 140 GLU H 5.600 . 6.100 4.108 3.394 5.850 . 0 0 "[ . 1 . 2]" 3 976 1 143 ASP H 1 144 GLU H 5.600 . 6.100 3.697 2.660 4.706 . 0 0 "[ . 1 . 2]" 3 977 1 143 ASP H 1 145 ASP H 5.600 . 6.100 4.850 3.571 5.770 . 0 0 "[ . 1 . 2]" 3 978 1 144 GLU H 1 145 ASP H 3.800 . 4.300 2.306 1.860 3.005 . 0 0 "[ . 1 . 2]" 3 979 1 144 GLU H 1 146 ASP H 5.600 . 6.100 3.979 2.526 5.900 . 0 0 "[ . 1 . 2]" 3 980 1 145 ASP H 1 147 SER H 4.600 . 5.100 3.794 2.482 4.982 . 0 0 "[ . 1 . 2]" 3 981 1 147 SER H 1 149 ILE H 5.300 . 5.800 4.135 3.122 5.788 . 0 0 "[ . 1 . 2]" 3 982 1 149 ILE H 1 168 LYS H 5.600 . 6.100 4.441 3.754 5.430 . 0 0 "[ . 1 . 2]" 3 983 1 150 ASN H 1 152 VAL H 5.700 . 6.200 6.289 6.159 6.387 0.187 2 0 "[ . 1 . 2]" 3 984 1 150 ASN QD 1 151 GLY H 6.600 . 7.100 2.675 2.039 3.439 . 0 0 "[ . 1 . 2]" 3 985 1 150 ASN QD 1 152 VAL H 6.600 . 7.100 5.269 4.510 6.432 . 0 0 "[ . 1 . 2]" 3 986 1 150 ASN QD 1 168 LYS H 6.600 . 7.100 4.461 3.376 5.502 . 0 0 "[ . 1 . 2]" 3 987 1 151 GLY H 1 152 VAL H 5.600 . 6.100 4.388 4.364 4.410 . 0 0 "[ . 1 . 2]" 3 988 1 152 VAL H 1 153 VAL H 5.600 . 6.100 4.475 4.439 4.505 . 0 0 "[ . 1 . 2]" 3 989 1 153 VAL H 1 154 LEU H 5.600 . 6.100 4.411 4.376 4.451 . 0 0 "[ . 1 . 2]" 3 990 1 153 VAL H 1 166 TRP HE1 5.600 . 6.100 5.766 5.526 6.014 . 0 0 "[ . 1 . 2]" 3 991 1 155 SER H 1 156 ILE H 4.300 . 4.800 4.014 3.914 4.126 . 0 0 "[ . 1 . 2]" 3 992 1 155 SER H 1 164 ALA H 5.600 . 6.100 4.392 4.174 4.564 . 0 0 "[ . 1 . 2]" 3 993 1 156 ILE H 1 157 ARG HE 5.600 . 6.100 5.090 3.920 6.146 0.046 20 0 "[ . 1 . 2]" 3 994 1 156 ILE H 1 162 LYS H 5.600 . 6.100 4.382 4.134 4.635 . 0 0 "[ . 1 . 2]" 3 995 1 157 ARG H 1 160 GLY H 5.600 . 6.100 3.710 3.082 4.595 . 0 0 "[ . 1 . 2]" 3 996 1 158 LYS H 1 160 GLY H 5.600 . 6.100 4.423 3.111 5.217 . 0 0 "[ . 1 . 2]" 3 997 1 160 GLY H 1 161 ASN QD 6.600 . 7.100 5.467 4.366 6.251 . 0 0 "[ . 1 . 2]" 3 998 1 160 GLY H 1 162 LYS H 6.000 2.200 6.500 6.394 6.121 6.565 0.065 5 0 "[ . 1 . 2]" 3 999 1 161 ASN QD 1 162 LYS H 6.600 . 7.100 4.844 3.701 5.672 . 0 0 "[ . 1 . 2]" 3 1000 1 162 LYS H 1 163 PHE H 4.800 . 5.300 4.291 4.080 4.436 . 0 0 "[ . 1 . 2]" 3 1001 1 163 PHE H 1 164 ALA H 4.000 . 4.500 4.497 4.373 4.568 0.068 20 0 "[ . 1 . 2]" 3 1002 1 164 ALA H 1 166 TRP HE1 5.600 . 6.100 5.990 5.686 6.168 0.068 2 0 "[ . 1 . 2]" 3 1003 1 165 LEU H 1 166 TRP H 4.000 . 4.500 4.401 4.069 4.573 0.073 4 0 "[ . 1 . 2]" 3 1004 1 165 LEU H 1 166 TRP HE1 5.600 . 6.100 4.745 3.908 5.351 . 0 0 "[ . 1 . 2]" 3 1005 1 166 TRP H 1 167 THR H 4.200 . 4.700 4.490 4.250 4.581 . 0 0 "[ . 1 . 2]" 3 1006 1 167 THR H 1 168 LYS H 3.800 2.200 4.300 4.376 4.250 4.586 0.286 1 0 "[ . 1 . 2]" 3 1007 1 167 THR H 1 169 SER H 5.600 . 6.100 4.843 4.234 5.300 . 0 0 "[ . 1 . 2]" 3 1008 1 171 ASP H 1 173 GLU H 5.600 . 6.100 5.343 4.615 5.609 . 0 0 "[ . 1 . 2]" 3 1009 1 172 LYS H 1 175 LEU H 5.600 . 6.100 4.846 3.679 5.068 . 0 0 "[ . 1 . 2]" 3 1010 1 176 LEU H 1 178 ILE H 5.600 . 6.100 4.390 4.124 4.799 . 0 0 "[ . 1 . 2]" 3 1011 1 177 ARG H 1 179 GLY H 4.600 . 5.100 3.999 3.763 4.232 . 0 0 "[ . 1 . 2]" 3 1012 1 182 PHE H 1 185 VAL H 5.600 . 6.100 5.025 4.725 5.202 . 0 0 "[ . 1 . 2]" 3 1013 1 184 GLN H 1 187 LYS H 5.600 . 6.100 5.183 4.357 5.446 . 0 0 "[ . 1 . 2]" 3 1014 1 184 GLN H 1 188 LEU H 5.600 . 6.100 5.563 4.805 6.137 0.037 20 0 "[ . 1 . 2]" 3 1015 1 184 GLN QE 1 189 THR H 6.600 . 7.100 6.026 5.048 6.323 . 0 0 "[ . 1 . 2]" 3 1016 1 185 VAL H 1 188 LEU H 5.600 . 6.100 5.596 5.144 5.883 . 0 0 "[ . 1 . 2]" 3 1017 1 187 LYS H 1 189 THR H 6.400 . 6.900 6.435 4.271 7.031 0.131 18 0 "[ . 1 . 2]" 3 1018 1 188 LEU H 1 189 THR H 4.500 . 5.000 4.020 2.354 4.608 . 0 0 "[ . 1 . 2]" 3 1019 1 193 HIS H 1 213 LEU H 5.600 . 6.100 5.007 3.497 6.283 0.183 1 0 "[ . 1 . 2]" 3 1020 1 195 GLU H 1 213 LEU H 5.600 . 6.100 4.554 4.285 4.746 . 0 0 "[ . 1 . 2]" 3 1021 1 196 PHE H 1 197 PHE H 4.700 . 5.200 4.411 4.140 4.666 . 0 0 "[ . 1 . 2]" 3 1022 1 196 PHE H 1 213 LEU H 4.500 . 5.000 4.797 4.619 5.061 0.061 1 0 "[ . 1 . 2]" 3 1023 1 197 PHE H 1 210 SER H 5.600 . 6.100 5.110 4.574 5.532 . 0 0 "[ . 1 . 2]" 3 1024 1 197 PHE H 1 211 ILE H 4.700 . 5.200 5.232 5.146 5.297 0.097 8 0 "[ . 1 . 2]" 3 1025 1 199 HIS H 1 201 SER H 5.600 . 6.100 4.370 4.242 4.572 . 0 0 "[ . 1 . 2]" 3 1026 1 199 HIS H 1 202 ALA H 5.600 . 6.100 5.583 5.414 5.840 . 0 0 "[ . 1 . 2]" 3 1027 1 200 SER H 1 202 ALA H 4.800 . 5.300 4.698 4.165 5.328 0.028 17 0 "[ . 1 . 2]" 3 1028 1 201 SER H 1 204 GLY H 6.500 2.200 7.000 4.999 4.190 6.696 . 0 0 "[ . 1 . 2]" 3 1029 1 210 SER H 1 212 THR H 5.600 2.200 6.100 6.131 5.992 6.222 0.122 15 0 "[ . 1 . 2]" 3 1030 1 211 ILE H 1 212 THR H 4.600 . 5.100 4.388 4.333 4.436 . 0 0 "[ . 1 . 2]" 3 1031 1 211 ILE H 1 213 LEU H 5.600 . 6.100 6.227 6.046 6.383 0.283 5 0 "[ . 1 . 2]" 3 1032 1 47 TYR H 1 77 ILE MG 6.500 . 7.000 5.770 5.698 5.836 . 0 0 "[ . 1 . 2]" 3 1033 1 47 TYR H 1 77 ILE QG 6.500 . 7.000 6.006 5.795 6.108 . 0 0 "[ . 1 . 2]" 3 1034 1 45 LEU MD1 1 77 ILE H 5.500 . 6.000 4.673 4.493 4.911 . 0 0 "[ . 1 . 2]" 3 1035 1 45 LEU MD2 1 77 ILE H 6.500 . 7.000 3.657 3.271 3.904 . 0 0 "[ . 1 . 2]" 3 1036 1 45 LEU MD2 1 74 PHE H 6.500 . 7.000 4.994 4.588 5.637 . 0 0 "[ . 1 . 2]" 3 1037 1 74 PHE H 1 95 VAL MG2 6.500 . 7.000 5.677 5.215 5.778 . 0 0 "[ . 1 . 2]" 3 1038 1 74 PHE H 1 95 VAL MG1 6.500 . 7.000 5.599 5.076 5.703 . 0 0 "[ . 1 . 2]" 3 1039 1 77 ILE H 1 95 VAL MG2 7.500 . 8.000 5.841 5.302 6.253 . 0 0 "[ . 1 . 2]" 3 1040 1 37 HIS H 1 39 LEU QD 7.000 . 7.500 3.934 2.550 5.497 . 0 0 "[ . 1 . 2]" 3 1041 1 39 LEU QD 1 41 THR H . . 5.000 3.154 1.745 3.945 0.055 6 0 "[ . 1 . 2]" 3 1042 1 39 LEU QD 1 43 TRP HE1 6.300 . 6.800 2.279 1.697 3.326 0.103 16 0 "[ . 1 . 2]" 3 1043 1 39 LEU QD 1 69 GLN H 6.500 . 7.000 4.172 1.711 5.358 0.089 2 0 "[ . 1 . 2]" 3 1044 1 39 LEU QD 1 70 THR H . . 5.100 2.768 1.877 3.697 . 0 0 "[ . 1 . 2]" 3 1045 1 45 LEU MD2 1 46 TRP H 6.300 . 6.800 5.087 4.961 5.186 . 0 0 "[ . 1 . 2]" 3 1046 1 45 LEU MD2 1 66 THR H 4.000 . 4.500 2.948 1.981 3.256 . 0 0 "[ . 1 . 2]" 3 1047 1 45 LEU MD2 1 67 SER H 6.300 . 6.800 5.292 5.001 5.476 . 0 0 "[ . 1 . 2]" 3 1048 1 45 LEU MD2 1 68 PHE H 6.300 . 6.800 5.735 5.552 5.818 . 0 0 "[ . 1 . 2]" 3 1049 1 46 TRP H 1 62 LEU MD2 6.300 . 6.800 5.018 4.410 5.757 . 0 0 "[ . 1 . 2]" 3 1050 1 47 TYR H 1 62 LEU MD2 5.900 . 6.400 3.885 3.042 5.324 . 0 0 "[ . 1 . 2]" 3 1051 1 56 GLU H 1 61 LEU MD2 . . 6.000 3.890 2.897 4.893 . 0 0 "[ . 1 . 2]" 3 1052 1 57 SER H 1 61 LEU MD2 6.100 . 6.600 2.927 2.596 3.935 . 0 0 "[ . 1 . 2]" 3 1053 1 58 TRP H 1 61 LEU MD2 6.300 . 6.800 5.057 2.812 5.534 . 0 0 "[ . 1 . 2]" 3 1054 1 58 TRP HE1 1 62 LEU MD2 6.000 . 6.500 4.104 2.123 5.365 . 0 0 "[ . 1 . 2]" 3 1055 1 59 SER H 1 61 LEU MD2 6.300 . 6.800 5.322 3.511 5.678 . 0 0 "[ . 1 . 2]" 3 1056 1 60 ASP H 1 61 LEU MD2 4.600 . 5.100 3.910 2.807 4.202 . 0 0 "[ . 1 . 2]" 3 1057 1 61 LEU H 1 62 LEU MD2 6.300 . 6.800 5.685 5.235 5.892 . 0 0 "[ . 1 . 2]" 3 1058 1 83 GLU H 1 87 LEU MD2 6.300 . 6.800 4.019 3.121 4.850 . 0 0 "[ . 1 . 2]" 3 1059 1 87 LEU MD2 1 89 LEU H 6.300 . 6.800 3.650 1.841 5.756 . 0 0 "[ . 1 . 2]" 3 1060 1 87 LEU MD2 1 91 SER H 6.300 . 6.800 3.987 3.551 4.883 . 0 0 "[ . 1 . 2]" 3 1061 1 89 LEU MD2 1 90 LYS H 6.300 . 6.800 3.725 3.245 4.362 . 0 0 "[ . 1 . 2]" 3 1062 1 89 LEU MD2 1 91 SER H 6.300 . 6.800 5.168 4.498 5.775 . 0 0 "[ . 1 . 2]" 3 1063 1 113 GLY H 1 175 LEU MD2 6.300 . 6.800 5.407 4.342 5.736 . 0 0 "[ . 1 . 2]" 3 1064 1 115 TRP H 1 165 LEU MD2 6.300 . 6.800 4.416 3.846 5.569 . 0 0 "[ . 1 . 2]" 3 1065 1 115 TRP HE1 1 165 LEU MD2 6.300 . 6.800 5.007 3.931 5.594 . 0 0 "[ . 1 . 2]" 3 1066 1 115 TRP HE1 1 176 LEU MD2 6.300 . 6.800 5.519 5.033 5.701 . 0 0 "[ . 1 . 2]" 3 1067 1 128 GLU H 1 129 LEU QD 4.600 . 5.100 3.223 3.044 3.849 . 0 0 "[ . 1 . 2]" 3 1068 1 131 LEU H 1 131 LEU MD2 4.700 . 5.200 4.143 3.921 4.263 . 0 0 "[ . 1 . 2]" 3 1069 1 131 LEU MD2 1 132 ARG H 5.000 2.500 5.500 4.393 4.186 4.542 . 0 0 "[ . 1 . 2]" 3 1070 1 154 LEU MD2 1 164 ALA H 6.300 . 6.800 5.652 5.602 5.689 . 0 0 "[ . 1 . 2]" 3 1071 1 163 PHE H 1 186 LEU MD2 6.700 2.200 7.200 5.385 4.341 5.899 . 0 0 "[ . 1 . 2]" 3 1072 1 165 LEU MD2 1 166 TRP H 6.300 . 6.800 4.224 2.765 5.069 . 0 0 "[ . 1 . 2]" 3 1073 1 167 THR H 1 175 LEU MD2 6.300 . 6.800 4.524 4.143 4.879 . 0 0 "[ . 1 . 2]" 3 1074 1 168 LYS H 1 175 LEU MD2 6.300 . 6.800 4.890 3.785 5.487 . 0 0 "[ . 1 . 2]" 3 1075 1 170 GLU H 1 175 LEU MD2 6.300 . 6.800 5.016 3.659 5.520 . 0 0 "[ . 1 . 2]" 3 1076 1 171 ASP H 1 175 LEU MD2 6.300 . 6.800 4.734 3.725 5.331 . 0 0 "[ . 1 . 2]" 3 1077 1 172 LYS H 1 175 LEU MD2 6.300 . 6.800 5.148 3.166 5.607 . 0 0 "[ . 1 . 2]" 3 1078 1 173 GLU H 1 175 LEU MD2 6.300 . 6.800 5.573 4.522 5.816 . 0 0 "[ . 1 . 2]" 3 1079 1 175 LEU H 1 176 LEU MD2 6.300 . 6.800 4.964 4.784 5.273 . 0 0 "[ . 1 . 2]" 3 1080 1 175 LEU MD2 1 176 LEU H 6.300 . 6.800 4.415 4.201 4.572 . 0 0 "[ . 1 . 2]" 3 1081 1 175 LEU MD2 1 177 ARG H 6.300 . 6.800 5.220 4.700 5.962 . 0 0 "[ . 1 . 2]" 3 1082 1 175 LEU MD2 1 179 GLY H 7.300 . 7.800 4.926 4.120 6.088 . 0 0 "[ . 1 . 2]" 3 1083 1 176 LEU H 1 176 LEU MD2 4.000 2.100 4.500 3.326 3.172 3.610 . 0 0 "[ . 1 . 2]" 3 1084 1 176 LEU MD2 1 177 ARG H 5.200 . 5.700 4.702 4.669 4.768 . 0 0 "[ . 1 . 2]" 3 1085 1 183 LYS H 1 186 LEU MD2 6.300 . 6.800 5.350 4.848 5.720 . 0 0 "[ . 1 . 2]" 3 1086 1 184 GLN H 1 186 LEU MD2 6.300 . 6.800 5.497 4.725 5.656 . 0 0 "[ . 1 . 2]" 3 1087 1 185 VAL H 1 186 LEU MD2 6.300 . 6.800 4.256 3.851 4.775 . 0 0 "[ . 1 . 2]" 3 1088 1 186 LEU MD2 1 187 LYS H 6.300 . 6.800 4.095 2.089 4.444 . 0 0 "[ . 1 . 2]" 3 1089 1 188 LEU H 1 188 LEU MD2 4.300 . 4.800 2.844 2.143 4.286 . 0 0 "[ . 1 . 2]" 3 1090 1 188 LEU MD2 1 189 THR H 6.300 . 6.800 3.925 2.026 4.459 . 0 0 "[ . 1 . 2]" 3 1091 1 188 LEU MD2 1 191 ASP H 6.300 . 6.800 4.536 1.861 5.729 . 0 0 "[ . 1 . 2]" 3 1092 1 188 LEU MD2 1 193 HIS H 6.300 . 6.800 4.262 2.115 5.543 . 0 0 "[ . 1 . 2]" 3 1093 1 188 LEU MD2 1 194 LEU H 6.300 . 6.800 5.021 2.924 5.601 . 0 0 "[ . 1 . 2]" 3 1094 1 14 VAL H 1 14 VAL HB 3.300 . 3.800 2.949 2.283 3.790 . 0 0 "[ . 1 . 2]" 3 1095 1 14 VAL HA 1 15 SER H 3.300 . 3.800 2.756 2.220 3.547 . 0 0 "[ . 1 . 2]" 3 1096 1 14 VAL HA 1 17 ASP H 3.300 . 3.800 3.539 3.007 3.801 0.001 9 0 "[ . 1 . 2]" 3 1097 1 16 VAL H 1 16 VAL HB 4.100 . 4.600 3.108 2.341 3.828 . 0 0 "[ . 1 . 2]" 3 1098 1 16 VAL HB 1 17 ASP H 5.300 . 5.800 3.837 2.194 4.655 . 0 0 "[ . 1 . 2]" 3 1099 1 16 VAL QG 1 17 ASP H 7.700 . 8.200 3.246 1.902 3.755 . 0 0 "[ . 1 . 2]" 3 1100 1 18 ASP H 1 18 ASP QB 3.700 . 4.200 2.549 1.930 3.190 . 0 0 "[ . 1 . 2]" 3 1101 1 18 ASP QB 1 19 THR H 6.300 . 6.800 3.208 1.993 4.027 . 0 0 "[ . 1 . 2]" 3 1102 1 20 THR HA 1 21 ALA H 3.300 . 3.800 2.739 2.217 3.528 . 0 0 "[ . 1 . 2]" 3 1103 1 21 ALA H 1 21 ALA MB 3.300 . 3.800 2.392 1.944 2.823 . 0 0 "[ . 1 . 2]" 3 1104 1 21 ALA HA 1 22 THR H 3.300 . 3.800 2.952 2.387 3.548 . 0 0 "[ . 1 . 2]" 3 1105 1 21 ALA HA 1 24 LYS H 3.300 . 3.800 3.240 2.946 3.608 . 0 0 "[ . 1 . 2]" 3 1106 1 21 ALA MB 1 22 THR H 6.300 . 6.800 3.515 2.716 3.737 . 0 0 "[ . 1 . 2]" 3 1107 1 22 THR H 1 22 THR HB 3.300 . 3.800 3.278 3.062 3.360 . 0 0 "[ . 1 . 2]" 3 1108 1 24 LYS H 1 24 LYS QB 3.300 . 3.800 2.352 2.031 2.960 . 0 0 "[ . 1 . 2]" 3 1109 1 26 VAL H 1 26 VAL HB 3.300 . 3.800 2.877 2.192 3.734 . 0 0 "[ . 1 . 2]" 3 1110 1 26 VAL HA 1 27 LEU H 3.300 . 3.800 2.805 2.219 3.586 . 0 0 "[ . 1 . 2]" 3 1111 1 26 VAL QG 1 27 LEU H 7.700 . 8.200 2.728 1.847 3.516 . 0 0 "[ . 1 . 2]" 3 1112 1 27 LEU H 1 27 LEU QB 3.300 . 3.800 2.542 1.965 3.214 . 0 0 "[ . 1 . 2]" 3 1113 1 27 LEU H 1 27 LEU HG 5.000 . 5.500 3.957 2.022 4.569 . 0 0 "[ . 1 . 2]" 3 1114 1 31 ALA HA 1 32 HIS H 3.300 . 3.800 2.649 2.214 3.594 . 0 0 "[ . 1 . 2]" 3 1115 1 32 HIS HA 1 33 PHE H 5.300 . 5.800 2.901 2.221 3.593 . 0 0 "[ . 1 . 2]" 3 1116 1 34 ASP H 1 35 VAL QG 7.000 . 7.500 3.382 2.248 4.752 . 0 0 "[ . 1 . 2]" 3 1117 1 34 ASP QB 1 35 VAL H 3.500 . 4.000 2.456 1.875 3.647 . 0 0 "[ . 1 . 2]" 3 1118 1 35 VAL H 1 36 LYS QB 6.300 . 6.800 4.627 4.251 4.881 . 0 0 "[ . 1 . 2]" 3 1119 1 35 VAL H 1 36 LYS QG 6.300 . 6.800 4.915 4.437 5.973 . 0 0 "[ . 1 . 2]" 3 1120 1 35 VAL H 1 40 ASN QB 6.300 . 6.800 5.726 4.373 6.229 . 0 0 "[ . 1 . 2]" 3 1121 1 35 VAL HA 1 37 HIS H 5.300 . 5.800 3.977 3.246 5.983 0.183 19 0 "[ . 1 . 2]" 3 1122 1 35 VAL HB 1 37 HIS H 5.600 . 6.100 5.342 3.363 6.167 0.067 6 0 "[ . 1 . 2]" 3 1123 1 35 VAL QG 1 37 HIS H 7.700 . 8.200 4.305 3.389 5.512 . 0 0 "[ . 1 . 2]" 3 1124 1 36 LYS QG 1 37 HIS H 6.300 . 6.800 4.325 3.814 4.607 . 0 0 "[ . 1 . 2]" 3 1125 1 37 HIS H 1 70 THR MG 6.300 . 6.800 4.858 2.959 5.656 . 0 0 "[ . 1 . 2]" 3 1126 1 39 LEU H 1 40 ASN QB 6.300 . 6.800 5.286 3.974 5.754 . 0 0 "[ . 1 . 2]" 3 1127 1 39 LEU H 1 69 GLN HA 5.800 . 6.300 4.706 4.146 6.386 0.086 3 0 "[ . 1 . 2]" 3 1128 1 39 LEU H 1 69 GLN QG 6.300 . 6.800 4.160 2.614 6.147 . 0 0 "[ . 1 . 2]" 3 1129 1 39 LEU HG 1 40 ASN H 4.900 . 5.400 3.743 2.123 5.496 0.096 2 0 "[ . 1 . 2]" 3 1130 1 39 LEU HG 1 41 THR H 5.300 . 5.800 4.398 2.553 5.705 . 0 0 "[ . 1 . 2]" 3 1131 1 39 LEU HG 1 69 GLN H 5.300 . 5.800 4.937 3.338 5.988 0.188 19 0 "[ . 1 . 2]" 3 1132 1 39 LEU HG 1 70 THR H 5.300 . 5.800 3.553 2.507 4.653 . 0 0 "[ . 1 . 2]" 3 1133 1 39 LEU QD 1 40 ASN QD 7.300 . 7.800 3.562 2.498 4.730 . 0 0 "[ . 1 . 2]" 3 1134 1 39 LEU QD 1 43 TRP H 6.800 . 7.300 5.288 4.225 5.957 . 0 0 "[ . 1 . 2]" 3 1135 1 40 ASN H 1 41 THR MG 4.600 . 5.100 3.206 2.745 4.139 . 0 0 "[ . 1 . 2]" 3 1136 1 40 ASN H 1 69 GLN QB 5.600 . 6.100 3.204 2.401 4.018 . 0 0 "[ . 1 . 2]" 3 1137 1 40 ASN H 1 138 ILE MD 7.000 . 7.500 5.788 4.380 6.253 . 0 0 "[ . 1 . 2]" 3 1138 1 40 ASN QD 1 41 THR MG 5.600 . 6.100 3.593 2.525 4.411 . 0 0 "[ . 1 . 2]" 3 1139 1 41 THR HA 1 69 GLN QE 5.000 . 5.500 4.665 3.132 5.126 . 0 0 "[ . 1 . 2]" 3 1140 1 41 THR HB 1 43 TRP HE1 5.300 . 5.800 5.402 4.029 5.894 0.094 9 0 "[ . 1 . 2]" 3 1141 1 41 THR MG 1 43 TRP H 6.300 . 6.800 3.862 3.420 4.209 . 0 0 "[ . 1 . 2]" 3 1142 1 41 THR MG 1 69 GLN H 6.300 . 6.800 5.403 4.431 5.709 . 0 0 "[ . 1 . 2]" 3 1143 1 41 THR MG 1 70 THR H 6.000 . 6.500 5.195 4.396 5.413 . 0 0 "[ . 1 . 2]" 3 1144 1 42 LYS H 1 42 LYS QG 3.300 . 3.800 1.970 1.837 3.163 . 0 0 "[ . 1 . 2]" 3 1145 1 42 LYS HA 1 68 PHE H 5.600 . 6.100 5.427 5.017 6.520 0.420 3 0 "[ . 1 . 2]" 3 1146 1 42 LYS QG 1 69 GLN QE 7.300 . 7.800 4.835 2.725 6.031 . 0 0 "[ . 1 . 2]" 3 1147 1 42 LYS QG 1 98 ASN H 5.600 . 6.100 4.614 2.700 5.475 . 0 0 "[ . 1 . 2]" 3 1148 1 42 LYS QG 1 98 ASN QD 6.600 . 7.100 5.039 2.208 5.698 . 0 0 "[ . 1 . 2]" 3 1149 1 43 TRP H 1 44 THR MG 4.800 . 5.300 4.118 3.768 4.327 . 0 0 "[ . 1 . 2]" 3 1150 1 43 TRP H 1 67 SER QB 6.300 . 6.800 4.263 3.648 4.809 . 0 0 "[ . 1 . 2]" 3 1151 1 43 TRP H 1 138 ILE MD 7.000 . 7.500 5.427 4.776 6.467 . 0 0 "[ . 1 . 2]" 3 1152 1 43 TRP HE1 1 138 ILE MD 6.300 . 6.800 2.917 2.128 5.641 . 0 0 "[ . 1 . 2]" 3 1153 1 44 THR H 1 45 LEU QD 7.700 . 8.200 5.874 5.268 6.126 . 0 0 "[ . 1 . 2]" 3 1154 1 44 THR H 1 96 PHE HA 4.500 . 5.000 4.344 3.787 4.922 . 0 0 "[ . 1 . 2]" 3 1155 1 44 THR H 1 97 ARG QB 5.500 . 6.000 3.526 2.181 5.483 . 0 0 "[ . 1 . 2]" 3 1156 1 44 THR HA 1 66 THR H 5.500 . 6.000 6.143 5.992 6.236 0.236 3 0 "[ . 1 . 2]" 3 1157 1 44 THR HA 1 68 PHE H 5.500 . 6.000 3.909 3.576 4.400 . 0 0 "[ . 1 . 2]" 3 1158 1 45 LEU H 1 65 VAL QG 6.200 . 6.700 3.426 3.224 4.387 . 0 0 "[ . 1 . 2]" 3 1159 1 45 LEU H 1 66 THR HA 5.500 . 6.000 4.765 4.528 5.074 . 0 0 "[ . 1 . 2]" 3 1160 1 45 LEU H 1 66 THR MG 5.500 . 6.000 4.734 4.362 5.014 . 0 0 "[ . 1 . 2]" 3 1161 1 45 LEU H 1 67 SER QB 5.800 . 6.300 3.888 3.318 4.438 . 0 0 "[ . 1 . 2]" 3 1162 1 45 LEU HA 1 96 PHE H 4.300 . 4.800 4.270 3.848 4.534 . 0 0 "[ . 1 . 2]" 3 1163 1 45 LEU QB 1 46 TRP H 6.300 . 6.800 4.028 3.967 4.072 . 0 0 "[ . 1 . 2]" 3 1164 1 45 LEU QB 1 66 THR H 3.500 . 4.000 3.271 3.161 3.345 . 0 0 "[ . 1 . 2]" 3 1165 1 45 LEU QB 1 68 PHE H 5.000 2.800 5.500 4.697 4.049 4.970 . 0 0 "[ . 1 . 2]" 3 1166 1 45 LEU HG 1 65 VAL H 3.500 . 4.000 3.523 3.455 3.575 . 0 0 "[ . 1 . 2]" 3 1167 1 45 LEU HG 1 66 THR H 3.700 2.200 4.200 4.093 3.629 4.230 0.030 3 0 "[ . 1 . 2]" 3 1168 1 45 LEU QD 1 46 TRP H 7.700 . 8.200 2.769 2.487 2.980 . 0 0 "[ . 1 . 2]" 3 1169 1 45 LEU QD 1 46 TRP HE1 7.700 . 8.200 5.679 5.607 5.805 . 0 0 "[ . 1 . 2]" 3 1170 1 45 LEU QD 1 96 PHE H 7.700 . 8.200 5.370 5.174 5.546 . 0 0 "[ . 1 . 2]" 3 1171 1 46 TRP H 1 95 VAL QG 6.000 . 6.500 2.833 2.423 3.143 . 0 0 "[ . 1 . 2]" 3 1172 1 46 TRP H 1 95 VAL MG2 6.300 . 6.800 2.853 2.431 3.173 . 0 0 "[ . 1 . 2]" 3 1173 1 46 TRP QB 1 65 VAL H 4.500 . 5.000 4.472 4.228 4.597 . 0 0 "[ . 1 . 2]" 3 1174 1 46 TRP HE1 1 95 VAL MG2 6.700 2.200 7.200 5.949 5.874 6.020 . 0 0 "[ . 1 . 2]" 3 1175 1 47 TYR H 1 47 TYR QD 4.300 . 4.800 2.685 2.243 2.871 . 0 0 "[ . 1 . 2]" 3 1176 1 47 TYR H 1 62 LEU HA 5.300 . 5.800 4.451 4.150 4.709 . 0 0 "[ . 1 . 2]" 3 1177 1 47 TYR H 1 62 LEU MD1 6.800 . 7.300 4.742 2.963 6.189 . 0 0 "[ . 1 . 2]" 3 1178 1 47 TYR H 1 64 PRO HA 3.700 2.200 4.200 4.150 3.772 4.262 0.062 16 0 "[ . 1 . 2]" 3 1179 1 47 TYR H 1 93 TYR HA 5.300 . 5.800 4.693 4.514 4.881 . 0 0 "[ . 1 . 2]" 3 1180 1 47 TYR QB 1 63 ARG H 6.300 . 6.800 4.589 4.359 4.891 . 0 0 "[ . 1 . 2]" 3 1181 1 47 TYR QD 1 48 THR H 5.500 . 6.000 4.067 3.747 4.343 . 0 0 "[ . 1 . 2]" 3 1182 1 48 THR H 1 48 THR MG 4.700 2.200 5.200 3.803 3.619 3.964 . 0 0 "[ . 1 . 2]" 3 1183 1 48 THR H 1 62 LEU QD 7.700 . 8.200 3.628 2.587 4.589 . 0 0 "[ . 1 . 2]" 3 1184 1 48 THR H 1 93 TYR HA 5.300 . 5.800 3.071 2.567 3.708 . 0 0 "[ . 1 . 2]" 3 1185 1 48 THR HA 1 62 LEU H 3.400 . 3.900 3.919 3.765 4.027 0.127 2 0 "[ . 1 . 2]" 3 1186 1 48 THR HA 1 63 ARG H 5.300 . 5.800 3.383 3.066 3.908 . 0 0 "[ . 1 . 2]" 3 1187 1 48 THR MG 1 58 TRP HE1 6.000 . 6.500 5.203 5.017 5.366 . 0 0 "[ . 1 . 2]" 3 1188 1 48 THR MG 1 63 ARG H 4.300 . 4.800 3.834 3.692 3.961 . 0 0 "[ . 1 . 2]" 3 1189 1 51 ALA H 1 52 VAL HB 4.600 . 5.100 3.985 3.456 4.883 . 0 0 "[ . 1 . 2]" 3 1190 1 51 ALA H 1 52 VAL QG 7.700 . 8.200 3.329 2.317 4.409 . 0 0 "[ . 1 . 2]" 3 1191 1 52 VAL H 1 53 ASP QB 5.700 . 6.200 4.760 4.389 5.163 . 0 0 "[ . 1 . 2]" 3 1192 1 52 VAL HA 1 53 ASP H 3.300 . 3.800 3.438 3.060 3.555 . 0 0 "[ . 1 . 2]" 3 1193 1 52 VAL HB 1 54 LYS H 5.300 . 5.800 4.009 2.581 5.635 . 0 0 "[ . 1 . 2]" 3 1194 1 53 ASP H 1 56 GLU QB 4.900 2.200 5.400 4.037 1.848 4.830 0.352 3 0 "[ . 1 . 2]" 3 1195 1 53 ASP H 1 61 LEU MD1 . . 6.000 3.761 1.846 4.859 . 0 0 "[ . 1 . 2]" 3 1196 1 53 ASP QB 1 56 GLU H 5.000 . 5.500 4.492 2.890 5.136 . 0 0 "[ . 1 . 2]" 3 1197 1 54 LYS H 1 55 SER QB . . 5.700 4.653 3.959 5.050 . 0 0 "[ . 1 . 2]" 3 1198 1 54 LYS QB 1 56 GLU H 3.700 2.200 4.200 3.851 3.307 4.092 . 0 0 "[ . 1 . 2]" 3 1199 1 56 GLU H 1 61 LEU MD1 . . 6.000 4.516 3.961 5.049 . 0 0 "[ . 1 . 2]" 3 1200 1 56 GLU QB 1 57 SER H 4.100 . 4.600 3.253 1.785 4.085 0.015 1 0 "[ . 1 . 2]" 3 1201 1 57 SER H 1 59 SER QB 6.300 . 6.800 5.586 4.525 5.975 . 0 0 "[ . 1 . 2]" 3 1202 1 57 SER H 1 60 ASP QB 3.300 . 3.800 2.301 1.846 3.123 . 0 0 "[ . 1 . 2]" 3 1203 1 57 SER H 1 61 LEU QB 6.300 . 6.800 5.169 4.581 5.997 . 0 0 "[ . 1 . 2]" 3 1204 1 57 SER HA 1 59 SER H 3.700 2.200 4.200 3.724 3.509 4.069 . 0 0 "[ . 1 . 2]" 3 1205 1 57 SER HA 1 60 ASP H 3.300 . 3.800 4.023 3.962 4.099 0.299 2 0 "[ . 1 . 2]" 3 1206 1 57 SER QB 1 60 ASP H 3.300 . 3.800 2.422 1.936 3.118 . 0 0 "[ . 1 . 2]" 3 1207 1 58 TRP H 1 59 SER QB 4.600 . 5.100 4.377 4.294 4.427 . 0 0 "[ . 1 . 2]" 3 1208 1 58 TRP H 1 61 LEU QB 6.300 . 6.800 5.401 4.489 5.775 . 0 0 "[ . 1 . 2]" 3 1209 1 58 TRP QB 1 60 ASP H 5.800 . 6.300 4.649 4.538 4.716 . 0 0 "[ . 1 . 2]" 3 1210 1 58 TRP QB 1 61 LEU H 6.300 . 6.800 5.102 4.909 5.223 . 0 0 "[ . 1 . 2]" 3 1211 1 58 TRP HE1 1 62 LEU MD1 5.000 . 5.500 3.147 2.214 4.706 . 0 0 "[ . 1 . 2]" 3 1212 1 59 SER HA 1 60 ASP H 3.300 . 3.800 3.477 3.444 3.534 . 0 0 "[ . 1 . 2]" 3 1213 1 59 SER HA 1 61 LEU H 4.800 . 5.300 3.978 3.792 4.176 . 0 0 "[ . 1 . 2]" 3 1214 1 59 SER HA 1 62 LEU H 3.900 . 4.400 4.202 3.792 4.437 0.037 16 0 "[ . 1 . 2]" 3 1215 1 59 SER QB 1 61 LEU H 4.900 . 5.400 4.633 4.484 4.843 . 0 0 "[ . 1 . 2]" 3 1216 1 59 SER QB 1 62 LEU H 6.300 . 6.800 5.714 5.510 5.882 . 0 0 "[ . 1 . 2]" 3 1217 1 60 ASP H 1 61 LEU QB 4.600 . 5.100 4.466 3.784 4.711 . 0 0 "[ . 1 . 2]" 3 1218 1 60 ASP H 1 61 LEU HG 4.600 . 5.100 3.337 3.019 5.496 0.396 7 0 "[ . 1 . 2]" 3 1219 1 60 ASP H 1 61 LEU MD1 5.000 2.200 5.500 4.193 2.827 4.513 . 0 0 "[ . 1 . 2]" 3 1220 1 60 ASP HA 1 61 LEU H 3.300 . 3.800 3.440 3.391 3.476 . 0 0 "[ . 1 . 2]" 3 1221 1 60 ASP QB 1 62 LEU H 5.500 . 6.000 5.274 5.189 5.390 . 0 0 "[ . 1 . 2]" 3 1222 1 61 LEU H 1 62 LEU MD1 6.300 . 6.800 5.563 3.593 5.896 . 0 0 "[ . 1 . 2]" 3 1223 1 61 LEU MD1 1 62 LEU H 4.000 . 4.500 3.800 3.677 3.920 . 0 0 "[ . 1 . 2]" 3 1224 1 62 LEU MD1 1 63 ARG H 5.200 . 5.700 3.919 1.977 4.817 . 0 0 "[ . 1 . 2]" 3 1225 1 66 THR H 1 66 THR MG 4.000 . 4.500 3.593 3.398 3.735 . 0 0 "[ . 1 . 2]" 3 1226 1 68 PHE H 1 68 PHE QD 4.300 . 4.800 3.252 2.029 4.240 . 0 0 "[ . 1 . 2]" 3 1227 1 68 PHE H 1 70 THR MG 6.300 . 6.800 5.327 4.874 5.586 . 0 0 "[ . 1 . 2]" 3 1228 1 68 PHE H 1 138 ILE MD 6.400 . 6.900 5.772 5.647 5.903 . 0 0 "[ . 1 . 2]" 3 1229 1 68 PHE HA 1 70 THR H 4.300 . 4.800 4.638 3.934 4.884 0.084 13 0 "[ . 1 . 2]" 3 1230 1 68 PHE QD 1 69 GLN H 4.500 . 5.000 3.283 2.157 4.064 . 0 0 "[ . 1 . 2]" 3 1231 1 68 PHE QD 1 70 THR H 5.500 . 6.000 4.509 1.782 5.449 0.018 16 0 "[ . 1 . 2]" 3 1232 1 68 PHE QD 1 74 PHE H 6.500 . 7.000 5.685 4.163 6.534 . 0 0 "[ . 1 . 2]" 3 1233 1 69 GLN H 1 70 THR MG 6.300 . 6.800 2.478 2.219 2.852 . 0 0 "[ . 1 . 2]" 3 1234 1 69 GLN HA 1 70 THR H 3.300 . 3.800 2.798 2.404 3.510 . 0 0 "[ . 1 . 2]" 3 1235 1 69 GLN QG 1 70 THR H 6.300 . 6.800 3.937 3.454 4.604 . 0 0 "[ . 1 . 2]" 3 1236 1 69 GLN QE 1 70 THR MG 7.300 . 7.800 4.695 3.414 5.623 . 0 0 "[ . 1 . 2]" 3 1237 1 70 THR H 1 71 VAL MG1 5.600 . 6.100 4.812 4.646 4.939 . 0 0 "[ . 1 . 2]" 3 1238 1 70 THR H 1 138 ILE MD 6.300 . 6.800 4.615 3.864 5.555 . 0 0 "[ . 1 . 2]" 3 1239 1 70 THR HA 1 72 GLU H 4.700 . 5.200 4.436 3.352 5.125 . 0 0 "[ . 1 . 2]" 3 1240 1 70 THR MG 1 71 VAL H 4.300 2.300 4.800 3.528 1.819 4.183 0.481 3 0 "[ . 1 . 2]" 3 1241 1 70 THR MG 1 72 GLU H 6.300 . 6.800 4.144 2.011 4.605 . 0 0 "[ . 1 . 2]" 3 1242 1 71 VAL H 1 71 VAL MG1 3.300 . 3.800 2.726 2.024 3.106 . 0 0 "[ . 1 . 2]" 3 1243 1 71 VAL H 1 72 GLU QB 6.300 . 6.800 3.922 3.353 4.755 . 0 0 "[ . 1 . 2]" 3 1244 1 71 VAL HA 1 72 GLU H 5.300 . 5.800 3.507 3.445 3.563 . 0 0 "[ . 1 . 2]" 3 1245 1 71 VAL HA 1 74 PHE H 3.300 . 3.800 3.609 3.130 3.811 0.011 3 0 "[ . 1 . 2]" 3 1246 1 71 VAL QG 1 73 GLU H 7.700 . 8.200 4.338 4.068 4.622 . 0 0 "[ . 1 . 2]" 3 1247 1 72 GLU H 1 72 GLU QG . . 4.800 2.222 1.862 3.334 . 0 0 "[ . 1 . 2]" 3 1248 1 72 GLU QB 1 74 PHE H 6.300 . 6.800 4.843 4.516 5.144 . 0 0 "[ . 1 . 2]" 3 1249 1 72 GLU QG 1 73 GLU H 3.800 . 4.300 3.895 3.716 4.079 . 0 0 "[ . 1 . 2]" 3 1250 1 73 GLU HA 1 74 PHE H 3.300 . 3.800 3.585 3.571 3.609 . 0 0 "[ . 1 . 2]" 3 1251 1 74 PHE H 1 74 PHE QE 6.000 . 6.500 5.930 5.119 6.119 . 0 0 "[ . 1 . 2]" 3 1252 1 74 PHE H 1 138 ILE MD 6.600 . 7.100 5.306 4.272 5.877 . 0 0 "[ . 1 . 2]" 3 1253 1 74 PHE HA 1 77 ILE H 3.300 . 3.800 3.552 3.455 3.634 . 0 0 "[ . 1 . 2]" 3 1254 1 74 PHE HA 1 78 ILE H 4.300 . 4.800 4.849 4.793 4.902 0.102 16 0 "[ . 1 . 2]" 3 1255 1 74 PHE QD 1 75 TRP H 5.200 . 5.700 3.928 3.341 4.510 . 0 0 "[ . 1 . 2]" 3 1256 1 75 TRP QB 1 75 TRP HE1 4.300 . 4.800 4.510 4.429 4.557 . 0 0 "[ . 1 . 2]" 3 1257 1 75 TRP QB 1 79 GLN QE 6.200 2.200 6.700 2.945 1.828 4.461 0.372 4 0 "[ . 1 . 2]" 3 1258 1 78 ILE HA 1 79 GLN H 3.300 . 3.800 3.536 3.507 3.568 . 0 0 "[ . 1 . 2]" 3 1259 1 78 ILE HB 1 79 GLN QE 4.600 . 5.100 3.854 3.426 4.292 . 0 0 "[ . 1 . 2]" 3 1260 1 78 ILE MG 1 80 ASN H 6.000 . 6.500 4.725 4.595 4.877 . 0 0 "[ . 1 . 2]" 3 1261 1 78 ILE MD 1 79 GLN H 5.500 . 6.000 4.575 4.438 4.671 . 0 0 "[ . 1 . 2]" 3 1262 1 79 GLN HA 1 80 ASN H 3.300 . 3.800 3.467 3.418 3.508 . 0 0 "[ . 1 . 2]" 3 1263 1 79 GLN HA 1 80 ASN QD 4.800 . 5.300 4.763 4.735 4.787 . 0 0 "[ . 1 . 2]" 3 1264 1 79 GLN HA 1 81 ILE H 3.400 . 3.900 3.545 3.310 3.730 . 0 0 "[ . 1 . 2]" 3 1265 1 79 GLN QB 1 80 ASN H 3.300 . 3.800 2.844 2.750 2.979 . 0 0 "[ . 1 . 2]" 3 1266 1 80 ASN QB 1 81 ILE H 4.600 . 5.100 3.031 2.961 3.087 . 0 0 "[ . 1 . 2]" 3 1267 1 82 PRO HA 1 85 HIS H 5.000 2.200 5.500 5.618 5.536 5.728 0.228 2 0 "[ . 1 . 2]" 3 1268 1 83 GLU H 1 84 PRO QD 6.300 . 6.800 3.086 1.830 4.346 . 0 0 "[ . 1 . 2]" 3 1269 1 83 GLU H 1 87 LEU QB 4.600 . 5.100 4.259 3.948 4.337 . 0 0 "[ . 1 . 2]" 3 1270 1 83 GLU H 1 87 LEU MD1 6.300 . 6.800 4.907 4.023 5.820 . 0 0 "[ . 1 . 2]" 3 1271 1 83 GLU HA 1 85 HIS H 4.000 . 4.500 3.871 3.643 4.135 . 0 0 "[ . 1 . 2]" 3 1272 1 83 GLU HA 1 86 GLU H 5.000 . 5.500 4.479 3.932 5.011 . 0 0 "[ . 1 . 2]" 3 1273 1 83 GLU QB 1 86 GLU H 6.300 . 6.800 4.055 2.676 5.288 . 0 0 "[ . 1 . 2]" 3 1274 1 83 GLU QB 1 87 LEU H 6.300 . 6.800 5.236 4.269 6.150 . 0 0 "[ . 1 . 2]" 3 1275 1 84 PRO HA 1 85 HIS H 5.300 . 5.800 2.999 2.671 3.332 . 0 0 "[ . 1 . 2]" 3 1276 1 85 HIS H 1 87 LEU MD1 6.300 . 6.800 5.341 4.558 5.695 . 0 0 "[ . 1 . 2]" 3 1277 1 85 HIS H 1 126 ILE MG 8.000 . 8.500 7.076 6.864 7.172 . 0 0 "[ . 1 . 2]" 3 1278 1 85 HIS H 1 126 ILE MD 6.000 . 6.500 5.273 5.113 5.379 . 0 0 "[ . 1 . 2]" 3 1279 1 85 HIS HA 1 87 LEU H 3.300 . 3.800 3.687 3.489 3.832 0.032 10 0 "[ . 1 . 2]" 3 1280 1 85 HIS QB 1 86 GLU H . . 5.900 3.865 3.701 4.048 . 0 0 "[ . 1 . 2]" 3 1281 1 86 GLU H 1 87 LEU QB 4.600 . 5.100 3.756 3.558 4.148 . 0 0 "[ . 1 . 2]" 3 1282 1 86 GLU H 1 87 LEU MD1 5.700 . 6.200 4.550 3.632 5.225 . 0 0 "[ . 1 . 2]" 3 1283 1 86 GLU H 1 88 PRO QD 6.300 . 6.800 5.929 5.816 6.110 . 0 0 "[ . 1 . 2]" 3 1284 1 86 GLU QB 1 87 LEU H 3.300 . 3.800 3.308 3.129 3.469 . 0 0 "[ . 1 . 2]" 3 1285 1 87 LEU H 1 88 PRO QD 4.600 . 5.100 4.338 4.269 4.406 . 0 0 "[ . 1 . 2]" 3 1286 1 87 LEU H 1 156 ILE MG 6.000 . 6.500 4.861 4.442 5.124 . 0 0 "[ . 1 . 2]" 3 1287 1 87 LEU H 1 156 ILE QG 6.000 . 6.500 5.901 5.672 5.974 . 0 0 "[ . 1 . 2]" 3 1288 1 87 LEU H 1 156 ILE MD 6.000 . 6.500 3.738 3.632 4.495 . 0 0 "[ . 1 . 2]" 3 1289 1 87 LEU MD1 1 91 SER H 6.300 . 6.800 3.536 2.539 4.613 . 0 0 "[ . 1 . 2]" 3 1290 1 89 LEU QB 1 90 LYS H 3.300 . 3.800 1.929 1.825 2.091 . 0 0 "[ . 1 . 2]" 3 1291 1 89 LEU MD1 1 160 GLY H 6.300 . 6.800 5.012 4.072 5.635 . 0 0 "[ . 1 . 2]" 3 1292 1 90 LYS H 1 156 ILE QG 6.300 . 6.800 5.057 4.872 5.395 . 0 0 "[ . 1 . 2]" 3 1293 1 90 LYS H 1 156 ILE MD 6.300 . 6.800 4.796 4.577 5.183 . 0 0 "[ . 1 . 2]" 3 1294 1 90 LYS HA 1 157 ARG H 3.800 . 4.300 4.434 4.381 4.533 0.233 19 0 "[ . 1 . 2]" 3 1295 1 90 LYS HA 1 157 ARG HE 5.300 . 5.800 3.489 1.848 4.819 . 0 0 "[ . 1 . 2]" 3 1296 1 90 LYS QG 1 91 SER H 4.000 . 4.500 4.185 4.132 4.261 . 0 0 "[ . 1 . 2]" 3 1297 1 91 SER H 1 156 ILE MG 3.300 . 3.800 3.112 3.008 3.206 . 0 0 "[ . 1 . 2]" 3 1298 1 91 SER H 1 156 ILE MD 6.300 . 6.800 3.969 3.624 4.552 . 0 0 "[ . 1 . 2]" 3 1299 1 92 ASP H 1 154 LEU HG 6.000 2.200 6.500 6.474 6.199 6.569 0.069 15 0 "[ . 1 . 2]" 3 1300 1 92 ASP H 1 154 LEU MD1 6.800 . 7.300 5.905 5.570 6.067 . 0 0 "[ . 1 . 2]" 3 1301 1 92 ASP HA 1 154 LEU H 5.300 . 5.800 4.342 4.194 4.460 . 0 0 "[ . 1 . 2]" 3 1302 1 92 ASP HA 1 156 ILE H 5.300 . 5.800 3.635 3.296 3.841 . 0 0 "[ . 1 . 2]" 3 1303 1 93 TYR H 1 93 TYR QD 4.300 . 4.800 3.220 1.976 3.953 . 0 0 "[ . 1 . 2]" 3 1304 1 93 TYR QB 1 94 HIS H 6.300 . 6.800 3.183 2.783 3.873 . 0 0 "[ . 1 . 2]" 3 1305 1 93 TYR QB 1 154 LEU H 6.300 . 6.800 3.483 2.934 4.561 . 0 0 "[ . 1 . 2]" 3 1306 1 93 TYR QD 1 154 LEU H 5.500 . 6.000 4.814 4.068 5.381 . 0 0 "[ . 1 . 2]" 3 1307 1 94 HIS H 1 94 HIS HD2 5.000 . 5.500 3.351 2.043 5.526 0.026 13 0 "[ . 1 . 2]" 3 1308 1 94 HIS HA 1 154 LEU H 3.600 . 4.100 3.416 3.071 3.668 . 0 0 "[ . 1 . 2]" 3 1309 1 95 VAL H 1 95 VAL MG2 4.400 . 4.900 3.340 3.186 3.544 . 0 0 "[ . 1 . 2]" 3 1310 1 95 VAL H 1 96 PHE QE 5.000 . 5.500 3.517 2.874 4.280 . 0 0 "[ . 1 . 2]" 3 1311 1 95 VAL H 1 153 VAL HA 5.300 . 5.800 3.326 3.146 3.664 . 0 0 "[ . 1 . 2]" 3 1312 1 95 VAL HB 1 96 PHE H 5.300 . 5.800 4.475 4.183 4.595 . 0 0 "[ . 1 . 2]" 3 1313 1 95 VAL MG2 1 96 PHE H 5.000 . 5.500 3.829 3.703 3.954 . 0 0 "[ . 1 . 2]" 3 1314 1 96 PHE H 1 96 PHE QE 4.300 . 4.800 4.231 3.850 4.641 . 0 0 "[ . 1 . 2]" 3 1315 1 96 PHE QD 1 100 VAL H 6.500 . 7.000 5.622 5.244 6.475 . 0 0 "[ . 1 . 2]" 3 1316 1 96 PHE H 1 138 ILE MD 7.300 . 7.800 6.102 5.193 6.467 . 0 0 "[ . 1 . 2]" 3 1317 1 96 PHE HA 1 100 VAL H 6.000 . 6.500 6.520 6.164 6.734 0.234 3 0 "[ . 1 . 2]" 3 1318 1 96 PHE QD 1 151 GLY H 5.500 . 6.000 4.997 3.685 5.552 . 0 0 "[ . 1 . 2]" 3 1319 1 96 PHE QE 1 152 VAL H 5.500 . 6.000 4.495 3.289 5.148 . 0 0 "[ . 1 . 2]" 3 1320 1 96 PHE QD 1 97 ARG H 5.500 . 6.000 3.518 2.272 4.654 . 0 0 "[ . 1 . 2]" 3 1321 1 97 ARG H 1 150 ASN HA 4.300 . 4.800 4.794 3.985 5.057 0.257 13 0 "[ . 1 . 2]" 3 1322 1 97 ARG QB 1 98 ASN QD 7.300 . 7.800 3.990 1.985 6.234 . 0 0 "[ . 1 . 2]" 3 1323 1 98 ASN H 1 100 VAL MG1 6.700 2.200 7.200 4.804 3.850 5.947 . 0 0 "[ . 1 . 2]" 3 1324 1 98 ASN QB 1 100 VAL H 5.300 . 5.800 4.558 2.711 5.301 . 0 0 "[ . 1 . 2]" 3 1325 1 98 ASN QD 1 100 VAL MG1 7.200 . 7.700 5.290 4.505 5.669 . 0 0 "[ . 1 . 2]" 3 1326 1 100 VAL H 1 110 ALA MB 5.500 . 6.000 4.222 3.559 5.127 . 0 0 "[ . 1 . 2]" 3 1327 1 100 VAL MG1 1 103 GLU H 6.000 2.200 6.500 4.178 3.889 4.951 . 0 0 "[ . 1 . 2]" 3 1328 1 100 VAL MG1 1 106 ASP H 6.700 2.200 7.200 5.499 5.197 5.893 . 0 0 "[ . 1 . 2]" 3 1329 1 100 VAL MG1 1 107 GLU H 6.300 . 6.800 3.933 3.655 4.409 . 0 0 "[ . 1 . 2]" 3 1330 1 100 VAL MG1 1 108 ALA H 5.300 . 5.800 4.631 4.475 4.819 . 0 0 "[ . 1 . 2]" 3 1331 1 100 VAL MG1 1 109 ASN H 6.300 . 6.800 5.452 5.063 5.649 . 0 0 "[ . 1 . 2]" 3 1332 1 100 VAL MG2 1 103 GLU H 5.800 . 6.300 4.171 3.376 5.114 . 0 0 "[ . 1 . 2]" 3 1333 1 100 VAL MG2 1 106 ASP H 6.300 . 6.800 4.977 4.443 5.619 . 0 0 "[ . 1 . 2]" 3 1334 1 100 VAL MG2 1 107 GLU H 6.300 . 6.800 3.672 3.184 4.255 . 0 0 "[ . 1 . 2]" 3 1335 1 100 VAL MG2 1 109 ASN H 6.300 . 6.800 4.146 3.667 4.543 . 0 0 "[ . 1 . 2]" 3 1336 1 100 VAL MG2 1 110 ALA H 6.300 . 6.800 2.824 2.135 3.258 . 0 0 "[ . 1 . 2]" 3 1337 1 101 ARG H 1 106 ASP QB 6.300 . 6.700 4.464 3.993 4.985 . 0 0 "[ . 1 . 2]" 3 1338 1 101 ARG H 1 109 ASN QB 6.400 . 6.900 6.115 5.788 6.353 . 0 0 "[ . 1 . 2]" 3 1339 1 103 GLU H 1 109 ASN QB 6.600 . 7.100 5.819 5.355 6.225 . 0 0 "[ . 1 . 2]" 3 1340 1 103 GLU H 1 110 ALA MB 6.300 . 6.800 5.736 5.632 5.800 . 0 0 "[ . 1 . 2]" 3 1341 1 103 GLU HA 1 104 TRP H 3.300 . 3.800 2.551 2.313 2.841 . 0 0 "[ . 1 . 2]" 3 1342 1 103 GLU HA 1 106 ASP H 5.300 . 5.800 4.434 4.249 4.700 . 0 0 "[ . 1 . 2]" 3 1343 1 103 GLU QB 1 105 GLU H 4.300 . 4.800 2.358 2.065 2.853 . 0 0 "[ . 1 . 2]" 3 1344 1 104 TRP HA 1 106 ASP H 5.300 . 5.800 3.621 3.348 4.078 . 0 0 "[ . 1 . 2]" 3 1345 1 105 GLU H 1 106 ASP QB 4.600 . 5.100 4.263 4.102 4.359 . 0 0 "[ . 1 . 2]" 3 1346 1 105 GLU HA 1 106 ASP H 3.300 . 3.800 3.351 3.157 3.514 . 0 0 "[ . 1 . 2]" 3 1347 1 105 GLU QB 1 106 ASP H 5.800 . 6.300 3.197 2.871 3.536 . 0 0 "[ . 1 . 2]" 3 1348 1 106 ASP H 1 107 GLU QB 4.600 . 5.100 3.465 3.170 3.700 . 0 0 "[ . 1 . 2]" 3 1349 1 106 ASP H 1 108 ALA MB 6.300 . 6.800 4.014 3.434 5.056 . 0 0 "[ . 1 . 2]" 3 1350 1 106 ASP HA 1 108 ALA H 3.300 . 3.800 3.824 3.493 4.132 0.332 16 0 "[ . 1 . 2]" 3 1351 1 106 ASP HA 1 109 ASN H 5.300 . 5.800 2.762 2.540 3.036 . 0 0 "[ . 1 . 2]" 3 1352 1 106 ASP QB 1 107 GLU H 5.000 . 5.500 2.684 2.367 3.181 . 0 0 "[ . 1 . 2]" 3 1353 1 106 ASP QB 1 108 ALA H . . 5.900 4.472 4.284 4.871 . 0 0 "[ . 1 . 2]" 3 1354 1 106 ASP QB 1 110 ALA H 6.300 . 6.800 4.668 4.095 4.896 . 0 0 "[ . 1 . 2]" 3 1355 1 107 GLU H 1 109 ASN QB 6.300 . 6.800 4.460 4.247 4.815 . 0 0 "[ . 1 . 2]" 3 1356 1 107 GLU HA 1 109 ASN H 4.600 . 5.100 4.252 3.823 4.552 . 0 0 "[ . 1 . 2]" 3 1357 1 107 GLU QB 1 109 ASN H 5.900 . 6.400 4.470 4.210 4.762 . 0 0 "[ . 1 . 2]" 3 1358 1 107 GLU QB 1 110 ALA H 5.300 . 5.800 4.825 4.537 5.243 . 0 0 "[ . 1 . 2]" 3 1359 1 108 ALA H 1 109 ASN QB 6.300 . 6.800 4.020 3.660 4.241 . 0 0 "[ . 1 . 2]" 3 1360 1 109 ASN HA 1 110 ALA H 5.300 . 5.800 3.470 3.442 3.573 . 0 0 "[ . 1 . 2]" 3 1361 1 109 ASN HA 1 111 LYS H 5.300 . 5.800 5.204 3.373 5.842 0.042 14 0 "[ . 1 . 2]" 3 1362 1 109 ASN HA 1 112 GLY H 4.500 . 5.000 4.341 3.521 5.177 0.177 1 0 "[ . 1 . 2]" 3 1363 1 109 ASN QD 1 110 ALA MB 7.300 . 7.800 4.611 2.847 5.297 . 0 0 "[ . 1 . 2]" 3 1364 1 110 ALA H 1 111 LYS QG 5.400 . 5.900 3.801 3.125 4.981 . 0 0 "[ . 1 . 2]" 3 1365 1 110 ALA HA 1 111 LYS H 3.300 . 3.800 3.566 3.444 3.596 . 0 0 "[ . 1 . 2]" 3 1366 1 110 ALA HA 1 112 GLY H 4.500 2.200 5.000 4.587 4.160 5.311 0.311 17 0 "[ . 1 . 2]" 3 1367 1 110 ALA MB 1 112 GLY H 4.300 . 4.800 4.039 3.109 4.214 . 0 0 "[ . 1 . 2]" 3 1368 1 111 LYS H 1 112 GLY QA 4.600 . 5.100 4.510 3.795 4.661 . 0 0 "[ . 1 . 2]" 3 1369 1 111 LYS HA 1 112 GLY H 3.300 . 3.800 3.487 2.817 3.588 . 0 0 "[ . 1 . 2]" 3 1370 1 111 LYS QB 1 112 GLY H 6.300 . 6.800 3.242 2.361 4.013 . 0 0 "[ . 1 . 2]" 3 1371 1 111 LYS QG 1 112 GLY H 4.300 . 4.800 2.337 1.737 4.329 0.063 18 0 "[ . 1 . 2]" 3 1372 1 112 GLY QA 1 167 THR H 6.300 . 6.800 5.399 3.671 5.809 . 0 0 "[ . 1 . 2]" 3 1373 1 113 GLY H 1 167 THR HA 5.300 . 5.800 5.357 4.878 5.666 . 0 0 "[ . 1 . 2]" 3 1374 1 113 GLY H 1 167 THR MG 6.300 . 6.800 5.112 3.891 5.687 . 0 0 "[ . 1 . 2]" 3 1375 1 113 GLY H 1 169 SER HA 5.300 . 5.800 4.710 4.103 5.919 0.119 18 0 "[ . 1 . 2]" 3 1376 1 113 GLY QA 1 167 THR H 6.300 . 6.800 3.604 2.589 4.352 . 0 0 "[ . 1 . 2]" 3 1377 1 113 GLY QA 1 199 HIS H 5.600 . 6.100 2.955 1.938 3.904 . 0 0 "[ . 1 . 2]" 3 1378 1 113 GLY QA 1 200 SER H 6.300 . 6.800 5.441 4.428 5.913 . 0 0 "[ . 1 . 2]" 3 1379 1 114 LYS H 1 196 PHE HA 5.300 . 5.800 5.130 4.774 5.393 . 0 0 "[ . 1 . 2]" 3 1380 1 114 LYS H 1 197 PHE QB 3.400 . 3.900 3.579 3.353 3.664 . 0 0 "[ . 1 . 2]" 3 1381 1 114 LYS HA 1 167 THR H 3.700 . 4.200 3.960 3.486 4.243 0.043 9 0 "[ . 1 . 2]" 3 1382 1 115 TRP H 1 165 LEU QB 3.800 . 4.300 3.328 2.717 3.568 . 0 0 "[ . 1 . 2]" 3 1383 1 115 TRP HA 1 165 LEU H 5.300 . 5.800 4.361 4.115 4.616 . 0 0 "[ . 1 . 2]" 3 1384 1 115 TRP HA 1 197 PHE H 5.300 . 5.800 3.101 2.637 3.471 . 0 0 "[ . 1 . 2]" 3 1385 1 115 TRP QB 1 195 GLU H 6.300 . 6.800 5.078 4.554 5.747 . 0 0 "[ . 1 . 2]" 3 1386 1 115 TRP HE1 1 175 LEU MD1 6.300 . 6.800 4.548 3.781 5.254 . 0 0 "[ . 1 . 2]" 3 1387 1 115 TRP HE1 1 179 GLY QA 6.300 . 6.800 3.121 2.369 3.683 . 0 0 "[ . 1 . 2]" 3 1388 1 116 SER H 1 194 LEU QB 6.700 2.200 7.200 5.509 4.528 6.408 . 0 0 "[ . 1 . 2]" 3 1389 1 116 SER H 1 194 LEU QD 7.700 . 8.200 4.204 3.277 4.968 . 0 0 "[ . 1 . 2]" 3 1390 1 116 SER H 1 195 GLU HA 5.300 . 5.800 4.645 4.261 5.040 . 0 0 "[ . 1 . 2]" 3 1391 1 116 SER H 1 195 GLU QB 6.300 . 6.800 3.167 2.081 4.478 . 0 0 "[ . 1 . 2]" 3 1392 1 116 SER H 1 196 PHE HA 5.300 . 5.800 3.438 2.775 4.124 . 0 0 "[ . 1 . 2]" 3 1393 1 116 SER HA 1 165 LEU H 5.300 . 5.800 3.516 2.772 3.898 . 0 0 "[ . 1 . 2]" 3 1394 1 116 SER QB 1 117 PHE H 5.500 . 6.000 3.239 2.596 3.773 . 0 0 "[ . 1 . 2]" 3 1395 1 116 SER QB 1 197 PHE H 5.500 2.500 6.000 4.679 4.275 5.145 . 0 0 "[ . 1 . 2]" 3 1396 1 117 PHE H 1 163 PHE QB 4.200 . 4.700 3.674 3.162 3.969 . 0 0 "[ . 1 . 2]" 3 1397 1 117 PHE H 1 164 ALA HA 5.300 . 5.800 3.929 3.493 4.528 . 0 0 "[ . 1 . 2]" 3 1398 1 117 PHE H 1 164 ALA MB 6.300 . 6.800 4.778 4.052 5.286 . 0 0 "[ . 1 . 2]" 3 1399 1 117 PHE H 1 186 LEU MD1 6.700 2.200 7.200 4.650 4.061 5.904 . 0 0 "[ . 1 . 2]" 3 1400 1 117 PHE H 1 194 LEU QD 7.700 . 8.200 4.670 4.094 5.273 . 0 0 "[ . 1 . 2]" 3 1401 1 117 PHE HA 1 163 PHE H 5.800 2.300 6.300 4.622 4.296 4.968 . 0 0 "[ . 1 . 2]" 3 1402 1 117 PHE HA 1 195 GLU H 3.300 . 3.800 3.192 2.693 3.664 . 0 0 "[ . 1 . 2]" 3 1403 1 117 PHE QD 1 118 GLN H 5.600 . 6.100 4.809 4.161 4.982 . 0 0 "[ . 1 . 2]" 3 1404 1 117 PHE QD 1 163 PHE H 5.400 . 5.900 2.499 1.960 3.537 . 0 0 "[ . 1 . 2]" 3 1405 1 117 PHE QE 1 195 GLU H 5.500 . 6.000 5.181 4.351 5.732 . 0 0 "[ . 1 . 2]" 3 1406 1 118 GLN H 1 118 GLN QB 3.300 . 3.800 2.195 2.009 2.372 . 0 0 "[ . 1 . 2]" 3 1407 1 118 GLN H 1 118 GLN QG 4.800 . 5.300 3.894 3.626 4.032 . 0 0 "[ . 1 . 2]" 3 1408 1 118 GLN HA 1 163 PHE H 5.300 . 5.800 4.504 3.898 4.845 . 0 0 "[ . 1 . 2]" 3 1409 1 119 LEU H 1 162 LYS HA 4.400 . 4.900 3.385 2.880 3.946 . 0 0 "[ . 1 . 2]" 3 1410 1 119 LEU HA 1 194 LEU H 6.700 2.200 7.200 7.212 7.072 7.278 0.078 16 0 "[ . 1 . 2]" 3 1411 1 119 LEU QB 1 120 ARG H 3.300 . 3.800 3.286 2.968 3.496 . 0 0 "[ . 1 . 2]" 3 1412 1 119 LEU QB 1 161 ASN H . . 3.800 3.202 2.621 3.501 . 0 0 "[ . 1 . 2]" 3 1413 1 119 LEU QD 1 122 LYS H 7.700 . 8.200 4.248 2.614 5.506 . 0 0 "[ . 1 . 2]" 3 1414 1 119 LEU QD 1 123 GLY H 7.700 . 8.200 4.999 3.905 5.907 . 0 0 "[ . 1 . 2]" 3 1415 1 120 ARG QB 1 121 GLY H 6.300 . 6.800 3.445 1.987 4.070 . 0 0 "[ . 1 . 2]" 3 1416 1 120 ARG QG 1 121 GLY H 6.300 . 6.800 3.918 1.849 4.528 . 0 0 "[ . 1 . 2]" 3 1417 1 122 LYS HA 1 123 GLY H 5.300 . 5.800 2.827 2.219 3.593 . 0 0 "[ . 1 . 2]" 3 1418 1 122 LYS QB 1 123 GLY H 6.300 . 6.800 2.167 1.815 3.291 . 0 0 "[ . 1 . 2]" 3 1419 1 122 LYS QB 1 124 ALA H 5.500 . 6.000 3.948 2.665 4.597 . 0 0 "[ . 1 . 2]" 3 1420 1 122 LYS QB 1 125 ASP H 6.300 . 6.800 5.540 4.698 6.071 . 0 0 "[ . 1 . 2]" 3 1421 1 122 LYS QG 1 123 GLY H 6.300 . 6.800 3.717 2.982 4.404 . 0 0 "[ . 1 . 2]" 3 1422 1 123 GLY QA 1 125 ASP H 6.300 . 6.500 3.730 2.962 5.220 . 0 0 "[ . 1 . 2]" 3 1423 1 124 ALA H 1 126 ILE MG 6.300 . 6.800 4.890 3.223 5.708 . 0 0 "[ . 1 . 2]" 3 1424 1 124 ALA H 1 126 ILE MD 6.300 . 6.800 2.546 1.848 4.459 . 0 0 "[ . 1 . 2]" 3 1425 1 124 ALA HA 1 126 ILE H 4.800 . 5.300 4.862 3.418 5.348 0.048 10 0 "[ . 1 . 2]" 3 1426 1 125 ASP H 1 126 ILE HB 4.600 . 5.100 4.608 4.051 5.124 0.024 10 0 "[ . 1 . 2]" 3 1427 1 125 ASP H 1 126 ILE MG 6.300 . 6.800 4.432 2.223 5.711 . 0 0 "[ . 1 . 2]" 3 1428 1 125 ASP QB 1 126 ILE H 4.500 . 5.000 3.871 3.398 4.073 . 0 0 "[ . 1 . 2]" 3 1429 1 126 ILE HA 1 128 GLU H 3.300 . 3.800 3.669 3.316 3.835 0.035 9 0 "[ . 1 . 2]" 3 1430 1 126 ILE MG 1 129 LEU H 6.300 . 6.800 4.622 4.084 5.369 . 0 0 "[ . 1 . 2]" 3 1431 1 126 ILE QG 1 128 GLU H 6.300 . 6.800 4.916 3.759 5.314 . 0 0 "[ . 1 . 2]" 3 1432 1 126 ILE QG 1 129 LEU H 6.300 . 6.800 5.416 4.929 5.699 . 0 0 "[ . 1 . 2]" 3 1433 1 126 ILE QG 1 130 TRP H 6.300 . 6.800 5.711 4.400 6.113 . 0 0 "[ . 1 . 2]" 3 1434 1 126 ILE MD 1 127 ASP H 6.300 . 6.800 3.836 3.449 4.454 . 0 0 "[ . 1 . 2]" 3 1435 1 127 ASP HA 1 130 TRP H 5.300 . 5.800 3.545 3.291 3.680 . 0 0 "[ . 1 . 2]" 3 1436 1 128 GLU H 1 129 LEU QB 4.600 . 5.100 4.188 4.071 4.479 . 0 0 "[ . 1 . 2]" 3 1437 1 129 LEU HA 1 130 TRP H 3.300 . 3.800 3.556 3.465 3.589 . 0 0 "[ . 1 . 2]" 3 1438 1 130 TRP H 1 131 LEU QB 4.600 . 5.100 4.229 4.168 4.281 . 0 0 "[ . 1 . 2]" 3 1439 1 130 TRP H 1 134 LEU QD 7.700 . 8.200 5.630 5.029 5.949 . 0 0 "[ . 1 . 2]" 3 1440 1 130 TRP HE1 1 131 LEU MD1 6.300 . 6.800 4.642 3.309 5.596 . 0 0 "[ . 1 . 2]" 3 1441 1 130 TRP HE1 1 134 LEU QB 6.300 . 6.800 4.493 4.080 5.155 . 0 0 "[ . 1 . 2]" 3 1442 1 130 TRP HE1 1 152 VAL MG1 6.300 . 6.800 5.516 5.382 5.625 . 0 0 "[ . 1 . 2]" 3 1443 1 130 TRP HE1 1 154 LEU MD1 4.700 . 5.200 3.498 2.799 4.043 . 0 0 "[ . 1 . 2]" 3 1444 1 131 LEU H 1 134 LEU QD 7.700 . 8.200 4.528 4.213 4.859 . 0 0 "[ . 1 . 2]" 3 1445 1 131 LEU HA 1 132 ARG H 3.300 . 3.800 3.596 3.591 3.605 . 0 0 "[ . 1 . 2]" 3 1446 1 131 LEU QB 1 134 LEU H 4.300 . 4.800 4.381 4.322 4.479 . 0 0 "[ . 1 . 2]" 3 1447 1 132 ARG H 1 132 ARG QB 3.300 . 3.800 2.104 1.969 2.337 . 0 0 "[ . 1 . 2]" 3 1448 1 132 ARG HA 1 133 THR H 3.300 . 3.800 3.494 3.482 3.513 . 0 0 "[ . 1 . 2]" 3 1449 1 133 THR H 1 134 LEU QD 7.700 . 8.200 4.450 4.229 4.558 . 0 0 "[ . 1 . 2]" 3 1450 1 134 LEU HA 1 135 LEU H 3.300 . 3.800 3.590 3.567 3.600 . 0 0 "[ . 1 . 2]" 3 1451 1 134 LEU HA 1 136 ALA H 4.900 . 5.400 4.262 4.042 4.829 . 0 0 "[ . 1 . 2]" 3 1452 1 134 LEU HA 1 137 VAL H 4.800 . 5.300 3.300 3.060 3.421 . 0 0 "[ . 1 . 2]" 3 1453 1 134 LEU HG 1 135 LEU H 3.700 2.200 4.200 4.196 4.006 4.264 0.064 13 0 "[ . 1 . 2]" 3 1454 1 134 LEU QD 1 135 LEU H 7.700 . 8.200 3.891 3.782 3.995 . 0 0 "[ . 1 . 2]" 3 1455 1 134 LEU QD 1 136 ALA H 7.700 . 8.200 5.075 4.830 5.470 . 0 0 "[ . 1 . 2]" 3 1456 1 135 LEU HA 1 136 ALA H 3.300 . 3.800 3.553 3.528 3.589 . 0 0 "[ . 1 . 2]" 3 1457 1 136 ALA HA 1 137 VAL H 3.300 . 3.800 3.530 3.488 3.577 . 0 0 "[ . 1 . 2]" 3 1458 1 136 ALA HA 1 138 ILE H 5.300 . 5.800 4.246 3.732 4.672 . 0 0 "[ . 1 . 2]" 3 1459 1 137 VAL H 1 137 VAL MG1 3.300 . 3.800 3.212 3.185 3.235 . 0 0 "[ . 1 . 2]" 3 1460 1 137 VAL H 1 137 VAL MG2 3.300 . 3.800 3.176 3.145 3.215 . 0 0 "[ . 1 . 2]" 3 1461 1 137 VAL H 1 138 ILE MG 4.600 . 5.100 3.818 3.480 4.108 . 0 0 "[ . 1 . 2]" 3 1462 1 137 VAL H 1 138 ILE MD 6.300 . 6.800 5.472 5.223 5.722 . 0 0 "[ . 1 . 2]" 3 1463 1 137 VAL MG1 1 139 GLY H 6.300 . 6.800 4.348 4.021 4.761 . 0 0 "[ . 1 . 2]" 3 1464 1 137 VAL MG1 1 150 ASN H 6.300 . 6.800 5.334 4.557 5.706 . 0 0 "[ . 1 . 2]" 3 1465 1 137 VAL MG1 1 151 GLY H 6.300 . 6.800 5.250 4.671 5.670 . 0 0 "[ . 1 . 2]" 3 1466 1 137 VAL MG1 1 152 VAL H 6.300 . 6.800 5.381 4.174 5.659 . 0 0 "[ . 1 . 2]" 3 1467 1 138 ILE H 1 138 ILE HB 3.300 . 3.800 3.554 3.524 3.597 . 0 0 "[ . 1 . 2]" 3 1468 1 138 ILE HA 1 139 GLY H 3.300 . 3.800 3.545 3.453 3.570 . 0 0 "[ . 1 . 2]" 3 1469 1 138 ILE HB 1 139 GLY H 3.300 . 3.800 3.846 3.765 3.966 0.166 2 0 "[ . 1 . 2]" 3 1470 1 138 ILE MG 1 140 GLU H 6.300 . 6.800 5.033 4.774 5.764 . 0 0 "[ . 1 . 2]" 3 1471 1 138 ILE QG 1 139 GLY H 3.300 . 3.800 1.878 1.770 1.976 0.030 1 0 "[ . 1 . 2]" 3 1472 1 138 ILE MD 1 139 GLY H 4.300 . 4.800 3.594 3.367 3.690 . 0 0 "[ . 1 . 2]" 3 1473 1 138 ILE MD 1 140 GLU H 6.300 . 6.800 5.422 4.047 5.740 . 0 0 "[ . 1 . 2]" 3 1474 1 139 GLY H 1 140 GLU QB 6.300 . 6.800 4.409 3.059 5.503 . 0 0 "[ . 1 . 2]" 3 1475 1 139 GLY QA 1 140 GLU H 3.300 . 3.800 2.769 2.327 2.930 . 0 0 "[ . 1 . 2]" 3 1476 1 139 GLY QA 1 141 THR H . . 4.800 3.951 3.097 4.427 . 0 0 "[ . 1 . 2]" 3 1477 1 140 GLU H 1 141 THR MG 6.300 . 6.800 4.195 3.272 4.849 . 0 0 "[ . 1 . 2]" 3 1478 1 140 GLU H 1 142 ILE MD 6.300 . 6.800 5.270 4.516 5.615 . 0 0 "[ . 1 . 2]" 3 1479 1 140 GLU QB 1 141 THR H 6.300 . 6.800 3.895 3.728 3.994 . 0 0 "[ . 1 . 2]" 3 1480 1 141 THR H 1 142 ILE MG 6.300 . 6.800 5.388 3.593 5.776 . 0 0 "[ . 1 . 2]" 3 1481 1 141 THR H 1 142 ILE MD 6.300 . 6.800 4.530 3.412 5.558 . 0 0 "[ . 1 . 2]" 3 1482 1 141 THR HA 1 142 ILE H 3.300 . 3.800 3.278 2.656 3.562 . 0 0 "[ . 1 . 2]" 3 1483 1 141 THR HA 1 143 ASP H 3.300 . 3.800 3.758 3.186 3.922 0.122 10 0 "[ . 1 . 2]" 3 1484 1 141 THR MG 1 142 ILE H 6.300 . 6.800 3.168 1.807 4.308 . 0 0 "[ . 1 . 2]" 3 1485 1 141 THR MG 1 143 ASP H 6.300 . 6.800 4.458 1.868 5.563 . 0 0 "[ . 1 . 2]" 3 1486 1 142 ILE H 1 142 ILE MD 4.400 . 4.900 2.971 2.064 3.946 . 0 0 "[ . 1 . 2]" 3 1487 1 142 ILE H 1 143 ASP QB 6.300 . 6.800 4.813 4.204 5.475 . 0 0 "[ . 1 . 2]" 3 1488 1 142 ILE HB 1 143 ASP H 3.300 . 3.800 3.241 2.544 3.813 0.013 11 0 "[ . 1 . 2]" 3 1489 1 142 ILE MD 1 143 ASP H 5.600 . 6.100 4.530 4.107 5.045 . 0 0 "[ . 1 . 2]" 3 1490 1 143 ASP HA 1 145 ASP H 3.600 . 4.100 3.859 3.129 4.136 0.036 5 0 "[ . 1 . 2]" 3 1491 1 145 ASP H 1 147 SER QB 6.300 . 6.800 4.815 3.900 5.680 . 0 0 "[ . 1 . 2]" 3 1492 1 145 ASP HA 1 146 ASP H 3.300 . 3.800 3.410 3.230 3.585 . 0 0 "[ . 1 . 2]" 3 1493 1 145 ASP HA 1 147 SER H 4.200 . 4.700 4.199 3.154 4.949 0.249 16 0 "[ . 1 . 2]" 3 1494 1 146 ASP H 1 147 SER QB 6.300 . 6.800 4.365 3.263 4.950 . 0 0 "[ . 1 . 2]" 3 1495 1 146 ASP H 1 149 ILE QG 6.300 . 6.800 5.439 4.604 6.010 . 0 0 "[ . 1 . 2]" 3 1496 1 146 ASP QB 1 149 ILE H 6.300 . 6.800 4.259 2.288 5.760 . 0 0 "[ . 1 . 2]" 3 1497 1 146 ASP QB 1 147 SER H 3.700 2.200 4.200 3.423 2.134 3.908 0.066 17 0 "[ . 1 . 2]" 3 1498 1 147 SER H 1 149 ILE HB 6.300 . 6.800 4.650 4.311 6.225 . 0 0 "[ . 1 . 2]" 3 1499 1 147 SER H 1 149 ILE MG 6.300 . 6.800 5.637 5.423 5.727 . 0 0 "[ . 1 . 2]" 3 1500 1 147 SER H 1 149 ILE QG 6.300 . 6.800 5.008 3.294 5.852 . 0 0 "[ . 1 . 2]" 3 1501 1 147 SER QB 1 149 ILE H 6.300 . 6.800 4.689 3.754 5.882 . 0 0 "[ . 1 . 2]" 3 1502 1 149 ILE H 1 149 ILE MD 3.300 . 3.800 2.578 1.809 3.303 . 0 0 "[ . 1 . 2]" 3 1503 1 149 ILE MG 1 150 ASN QD 5.600 . 6.100 3.982 3.183 4.295 . 0 0 "[ . 1 . 2]" 3 1504 1 149 ILE MG 1 167 THR H 6.300 . 6.800 4.813 3.908 5.470 . 0 0 "[ . 1 . 2]" 3 1505 1 149 ILE MG 1 168 LYS H 3.900 . 4.400 3.614 3.390 3.860 . 0 0 "[ . 1 . 2]" 3 1506 1 149 ILE QG 1 150 ASN H 6.300 . 6.800 3.083 2.194 4.426 . 0 0 "[ . 1 . 2]" 3 1507 1 164 ALA MB 1 166 TRP H 6.300 . 6.800 4.815 4.535 5.075 . 0 0 "[ . 1 . 2]" 3 1508 1 149 ILE MD 1 167 THR H 6.300 . 6.800 5.265 4.438 5.692 . 0 0 "[ . 1 . 2]" 3 1509 1 150 ASN H 1 166 TRP QB 6.000 . 6.500 3.907 3.622 4.253 . 0 0 "[ . 1 . 2]" 3 1510 1 150 ASN H 1 167 THR MG 5.300 . 5.800 3.937 3.339 4.378 . 0 0 "[ . 1 . 2]" 3 1511 1 150 ASN HA 1 151 GLY H 5.300 . 5.800 3.579 3.541 3.604 . 0 0 "[ . 1 . 2]" 3 1512 1 150 ASN QD 1 166 TRP QB 7.300 . 7.800 1.713 1.624 1.868 0.176 16 0 "[ . 1 . 2]" 3 1513 1 152 VAL HA 1 165 LEU H 5.100 . 5.600 4.897 4.509 5.220 . 0 0 "[ . 1 . 2]" 3 1514 1 152 VAL HA 1 166 TRP H 3.300 . 3.800 2.132 1.864 2.436 . 0 0 "[ . 1 . 2]" 3 1515 1 152 VAL HA 1 166 TRP HE1 5.300 . 5.800 5.877 5.744 5.960 0.160 8 0 "[ . 1 . 2]" 3 1516 1 152 VAL HB 1 154 LEU H 5.300 . 5.800 5.887 5.791 5.939 0.139 3 0 "[ . 1 . 2]" 3 1517 1 152 VAL HB 1 166 TRP H 5.300 . 5.800 4.569 4.325 4.819 . 0 0 "[ . 1 . 2]" 3 1518 1 152 VAL MG1 1 166 TRP H 3.300 . 3.800 2.914 2.735 3.045 . 0 0 "[ . 1 . 2]" 3 1519 1 153 VAL H 1 153 VAL HB 3.300 . 3.800 2.664 2.567 2.763 . 0 0 "[ . 1 . 2]" 3 1520 1 153 VAL H 1 153 VAL MG1 4.000 2.500 4.500 3.825 3.757 3.876 . 0 0 "[ . 1 . 2]" 3 1521 1 153 VAL HB 1 154 LEU H 5.000 . 5.500 3.892 3.772 4.027 . 0 0 "[ . 1 . 2]" 3 1522 1 153 VAL MG1 1 154 LEU H 5.100 . 5.600 1.996 1.838 2.137 . 0 0 "[ . 1 . 2]" 3 1523 1 154 LEU HA 1 164 ALA H 5.300 . 5.800 2.769 2.675 2.947 . 0 0 "[ . 1 . 2]" 3 1524 1 154 LEU HG 1 164 ALA H 4.800 . 5.300 5.312 5.202 5.383 0.083 8 0 "[ . 1 . 2]" 3 1525 1 154 LEU MD1 1 155 SER H 4.800 . 5.300 4.020 3.888 4.135 . 0 0 "[ . 1 . 2]" 3 1526 1 154 LEU MD1 1 162 LYS H 6.300 . 6.800 5.443 5.123 5.631 . 0 0 "[ . 1 . 2]" 3 1527 1 155 SER H 1 156 ILE QG 6.300 . 6.800 3.945 3.663 4.244 . 0 0 "[ . 1 . 2]" 3 1528 1 155 SER H 1 162 LYS QB 5.500 . 6.000 4.106 3.824 4.564 . 0 0 "[ . 1 . 2]" 3 1529 1 155 SER H 1 163 PHE HA 5.300 . 5.800 2.558 2.384 2.836 . 0 0 "[ . 1 . 2]" 3 1530 1 156 ILE HA 1 162 LYS H 4.300 . 4.800 2.398 2.126 2.778 . 0 0 "[ . 1 . 2]" 3 1531 1 156 ILE MG 1 161 ASN QD . . 6.600 4.228 3.494 4.772 . 0 0 "[ . 1 . 2]" 3 1532 1 156 ILE QG 1 161 ASN H 6.300 . 6.800 5.150 4.746 5.590 . 0 0 "[ . 1 . 2]" 3 1533 1 156 ILE QG 1 161 ASN QD . . 6.300 4.306 3.908 4.715 . 0 0 "[ . 1 . 2]" 3 1534 1 156 ILE MD 1 161 ASN H 6.300 . 6.800 5.287 4.079 5.559 . 0 0 "[ . 1 . 2]" 3 1535 1 157 ARG H 1 158 LYS QB 6.300 . 6.800 4.987 3.145 5.758 . 0 0 "[ . 1 . 2]" 3 1536 1 157 ARG H 1 161 ASN QB 6.300 . 6.800 4.097 3.136 4.768 . 0 0 "[ . 1 . 2]" 3 1537 1 158 LYS H 1 158 LYS QG 4.600 . 5.100 3.467 2.410 4.250 . 0 0 "[ . 1 . 2]" 3 1538 1 158 LYS QB 1 160 GLY H 4.900 . 5.400 4.140 2.248 4.913 . 0 0 "[ . 1 . 2]" 3 1539 1 160 GLY H 1 161 ASN QB 6.300 . 6.800 4.775 4.043 5.072 . 0 0 "[ . 1 . 2]" 3 1540 1 160 GLY QA 1 161 ASN QD 7.300 . 7.800 4.205 2.484 5.394 . 0 0 "[ . 1 . 2]" 3 1541 1 161 ASN HA 1 162 LYS H 4.500 . 5.000 2.414 2.252 2.552 . 0 0 "[ . 1 . 2]" 3 1542 1 163 PHE H 1 163 PHE QD 4.400 . 4.900 2.955 1.955 4.049 . 0 0 "[ . 1 . 2]" 3 1543 1 163 PHE H 1 186 LEU MD1 6.300 . 6.800 4.470 3.782 5.636 . 0 0 "[ . 1 . 2]" 3 1544 1 164 ALA MB 1 166 TRP HE1 5.300 . 5.800 2.550 2.263 2.776 . 0 0 "[ . 1 . 2]" 3 1545 1 165 LEU QB 1 166 TRP H 4.800 . 5.300 3.743 3.412 3.897 . 0 0 "[ . 1 . 2]" 3 1546 1 165 LEU MD1 1 166 TRP H 6.300 . 6.800 3.237 1.924 5.146 . 0 0 "[ . 1 . 2]" 3 1547 1 166 TRP QB 1 167 THR H 6.300 . 6.800 3.161 2.724 3.582 . 0 0 "[ . 1 . 2]" 3 1548 1 167 THR MG 1 168 LYS H 6.300 . 6.800 3.826 3.382 4.104 . 0 0 "[ . 1 . 2]" 3 1549 1 167 THR MG 1 169 SER H 4.700 . 5.200 4.182 3.983 4.399 . 0 0 "[ . 1 . 2]" 3 1550 1 168 LYS QB 1 169 SER H 3.300 . 3.800 2.939 2.582 3.503 . 0 0 "[ . 1 . 2]" 3 1551 1 168 LYS QG 1 169 SER H 3.700 . 4.200 3.230 1.893 3.873 . 0 0 "[ . 1 . 2]" 3 1552 1 169 SER H 1 175 LEU MD1 6.300 . 6.800 3.862 2.914 4.942 . 0 0 "[ . 1 . 2]" 3 1553 1 169 SER HA 1 171 ASP H 3.300 . 3.800 3.477 3.126 4.019 0.219 18 0 "[ . 1 . 2]" 3 1554 1 170 GLU H 1 175 LEU MD1 6.300 . 6.800 4.599 3.133 5.387 . 0 0 "[ . 1 . 2]" 3 1555 1 170 GLU HA 1 171 ASP H 3.300 . 3.800 3.224 2.871 3.493 . 0 0 "[ . 1 . 2]" 3 1556 1 170 GLU QB 1 171 ASP H 6.300 . 6.800 3.557 2.855 4.057 . 0 0 "[ . 1 . 2]" 3 1557 1 170 GLU QG 1 171 ASP H 5.000 . 5.500 3.961 1.919 4.778 . 0 0 "[ . 1 . 2]" 3 1558 1 171 ASP H 1 175 LEU MD1 6.300 . 6.800 3.628 2.590 4.358 . 0 0 "[ . 1 . 2]" 3 1559 1 171 ASP HA 1 173 GLU H 3.300 . 3.800 3.688 3.477 3.934 0.134 18 0 "[ . 1 . 2]" 3 1560 1 171 ASP QB 1 173 GLU H 4.700 . 5.200 2.876 2.409 3.099 . 0 0 "[ . 1 . 2]" 3 1561 1 171 ASP QB 1 175 LEU H 6.300 . 6.800 4.596 4.324 5.035 . 0 0 "[ . 1 . 2]" 3 1562 1 172 LYS H 1 175 LEU MD1 6.300 . 6.800 3.398 1.790 3.921 0.010 18 0 "[ . 1 . 2]" 3 1563 1 172 LYS QG 1 173 GLU H 5.500 . 6.000 4.467 4.271 4.625 . 0 0 "[ . 1 . 2]" 3 1564 1 173 GLU H 1 175 LEU MD1 6.300 . 6.800 4.314 3.487 4.742 . 0 0 "[ . 1 . 2]" 3 1565 1 173 GLU H 1 176 LEU MD1 6.300 . 6.800 4.455 3.920 4.940 . 0 0 "[ . 1 . 2]" 3 1566 1 175 LEU HA 1 176 LEU H 3.300 . 3.800 3.602 3.595 3.614 . 0 0 "[ . 1 . 2]" 3 1567 1 175 LEU HA 1 179 GLY H 5.100 . 5.600 3.710 3.062 3.972 . 0 0 "[ . 1 . 2]" 3 1568 1 175 LEU HG 1 176 LEU H 4.300 . 4.800 4.244 3.593 4.831 0.031 15 0 "[ . 1 . 2]" 3 1569 1 175 LEU MD1 1 176 LEU H 6.300 . 6.800 4.122 3.690 4.259 . 0 0 "[ . 1 . 2]" 3 1570 1 175 LEU MD1 1 177 ARG H 6.300 . 6.800 5.640 4.542 5.931 . 0 0 "[ . 1 . 2]" 3 1571 1 176 LEU HA 1 179 GLY H 3.600 . 4.100 3.710 3.527 4.109 0.009 1 0 "[ . 1 . 2]" 3 1572 1 177 ARG H 1 178 ILE MD 6.300 . 6.800 5.244 4.648 5.483 . 0 0 "[ . 1 . 2]" 3 1573 1 177 ARG HA 1 180 GLY H 3.300 . 3.800 3.768 3.480 3.862 0.062 15 0 "[ . 1 . 2]" 3 1574 1 178 ILE HA 1 179 GLY H 5.300 . 5.800 3.574 3.545 3.594 . 0 0 "[ . 1 . 2]" 3 1575 1 178 ILE HA 1 181 LYS H 4.800 . 5.300 3.555 3.271 3.905 . 0 0 "[ . 1 . 2]" 3 1576 1 178 ILE MD 1 179 GLY H 5.500 . 6.000 4.208 3.511 4.799 . 0 0 "[ . 1 . 2]" 3 1577 1 179 GLY H 1 180 GLY QA 6.300 . 6.800 4.673 4.487 4.778 . 0 0 "[ . 1 . 2]" 3 1578 1 179 GLY QA 1 181 LYS H 6.300 . 6.800 4.351 4.097 4.648 . 0 0 "[ . 1 . 2]" 3 1579 1 180 GLY QA 1 183 LYS H 4.600 . 5.100 3.435 2.997 3.711 . 0 0 "[ . 1 . 2]" 3 1580 1 181 LYS H 1 182 PHE QB 4.800 . 5.300 4.377 4.182 4.465 . 0 0 "[ . 1 . 2]" 3 1581 1 181 LYS HA 1 182 PHE H 3.300 . 3.800 3.568 3.449 3.595 . 0 0 "[ . 1 . 2]" 3 1582 1 181 LYS HA 1 183 LYS H 3.400 . 3.900 3.912 3.773 4.165 0.265 15 0 "[ . 1 . 2]" 3 1583 1 182 PHE HA 1 183 LYS H 4.500 . 5.000 3.488 3.427 3.549 . 0 0 "[ . 1 . 2]" 3 1584 1 182 PHE HA 1 184 GLN H 5.300 . 5.800 4.564 3.661 5.097 . 0 0 "[ . 1 . 2]" 3 1585 1 182 PHE HA 1 185 VAL H 4.800 . 5.300 3.550 2.939 4.154 . 0 0 "[ . 1 . 2]" 3 1586 1 182 PHE HA 1 186 LEU H 5.300 . 5.800 4.732 3.277 5.440 . 0 0 "[ . 1 . 2]" 3 1587 1 182 PHE QB 1 184 GLN H 6.300 . 6.800 4.988 4.375 5.317 . 0 0 "[ . 1 . 2]" 3 1588 1 183 LYS H 1 186 LEU MD1 6.300 . 6.800 4.777 4.383 5.153 . 0 0 "[ . 1 . 2]" 3 1589 1 183 LYS HA 1 184 GLN H 3.500 . 4.000 3.569 3.492 3.593 . 0 0 "[ . 1 . 2]" 3 1590 1 183 LYS HA 1 184 GLN QE 6.300 . 6.800 5.501 4.851 5.903 . 0 0 "[ . 1 . 2]" 3 1591 1 183 LYS QB 1 185 VAL H 6.300 . 6.800 4.767 4.310 5.131 . 0 0 "[ . 1 . 2]" 3 1592 1 183 LYS QB 1 186 LEU H 6.300 . 6.800 5.160 4.568 5.580 . 0 0 "[ . 1 . 2]" 3 1593 1 184 GLN H 1 186 LEU MD1 6.300 . 6.800 5.262 4.864 5.594 . 0 0 "[ . 1 . 2]" 3 1594 1 184 GLN HA 1 185 VAL H 3.300 . 3.800 3.561 3.529 3.585 . 0 0 "[ . 1 . 2]" 3 1595 1 184 GLN HA 1 186 LEU H 5.300 . 5.800 3.886 3.675 4.351 . 0 0 "[ . 1 . 2]" 3 1596 1 184 GLN HA 1 188 LEU H 3.800 . 4.300 3.260 2.693 4.069 . 0 0 "[ . 1 . 2]" 3 1597 1 184 GLN QB 1 187 LYS H 6.300 . 6.800 4.368 4.226 4.509 . 0 0 "[ . 1 . 2]" 3 1598 1 185 VAL H 1 186 LEU MD1 6.300 . 6.800 5.185 3.592 5.455 . 0 0 "[ . 1 . 2]" 3 1599 1 185 VAL HA 1 187 LYS H 5.300 . 5.800 3.602 3.454 4.731 . 0 0 "[ . 1 . 2]" 3 1600 1 185 VAL MG1 1 188 LEU H 7.300 2.200 7.800 6.458 6.409 6.492 . 0 0 "[ . 1 . 2]" 3 1601 1 185 VAL QG 1 187 LYS H 4.900 . 5.400 4.106 4.048 4.239 . 0 0 "[ . 1 . 2]" 3 1602 1 186 LEU HA 1 188 LEU H 5.300 . 5.800 4.808 4.416 5.279 . 0 0 "[ . 1 . 2]" 3 1603 1 186 LEU MD1 1 187 LYS H 6.300 . 6.800 4.968 3.479 5.190 . 0 0 "[ . 1 . 2]" 3 1604 1 186 LEU QD 1 188 LEU H 7.700 . 8.200 4.513 4.260 4.963 . 0 0 "[ . 1 . 2]" 3 1605 1 187 LYS QB 1 188 LEU H 4.700 . 5.200 3.813 3.756 3.927 . 0 0 "[ . 1 . 2]" 3 1606 1 187 LYS QG 1 188 LEU H 6.300 . 6.800 4.471 4.302 4.675 . 0 0 "[ . 1 . 2]" 3 1607 1 188 LEU QB 1 189 THR H 6.300 . 6.800 2.714 1.852 3.890 . 0 0 "[ . 1 . 2]" 3 1608 1 188 LEU MD1 1 189 THR H 6.300 . 6.800 2.347 1.763 4.281 0.037 5 0 "[ . 1 . 2]" 3 1609 1 188 LEU MD1 1 193 HIS H 6.300 . 6.800 3.361 1.823 4.561 . 0 0 "[ . 1 . 2]" 3 1610 1 188 LEU MD1 1 194 LEU H 6.300 . 6.800 4.953 3.373 5.587 . 0 0 "[ . 1 . 2]" 3 1611 1 189 THR H 1 191 ASP QB 6.300 . 6.800 5.091 2.313 6.120 . 0 0 "[ . 1 . 2]" 3 1612 1 189 THR HA 1 191 ASP H 3.300 . 3.800 3.747 3.032 4.083 0.283 10 0 "[ . 1 . 2]" 3 1613 1 189 THR MG 1 191 ASP H 6.300 . 6.800 4.523 3.044 5.167 . 0 0 "[ . 1 . 2]" 3 1614 1 191 ASP H 1 192 GLY QA 6.300 . 6.800 4.501 3.657 5.506 . 0 0 "[ . 1 . 2]" 3 1615 1 191 ASP QB 1 193 HIS H 6.300 . 6.800 4.252 2.559 6.052 . 0 0 "[ . 1 . 2]" 3 1616 1 192 GLY QA 1 194 LEU H 6.300 . 6.800 4.533 2.988 5.662 . 0 0 "[ . 1 . 2]" 3 1617 1 193 HIS H 1 194 LEU QD 7.700 . 8.200 4.702 3.520 5.734 . 0 0 "[ . 1 . 2]" 3 1618 1 193 HIS H 1 213 LEU QB 6.300 . 6.800 3.328 1.889 4.409 . 0 0 "[ . 1 . 2]" 3 1619 1 193 HIS H 1 213 LEU HG 5.300 . 5.800 5.715 4.595 6.025 0.225 11 0 "[ . 1 . 2]" 3 1620 1 193 HIS HA 1 213 LEU H 5.000 . 5.500 4.918 3.768 5.948 0.448 15 0 "[ . 1 . 2]" 3 1621 1 194 LEU H 1 194 LEU QB 3.400 . 3.900 2.686 1.932 3.104 . 0 0 "[ . 1 . 2]" 3 1622 1 194 LEU H 1 212 THR HA 3.700 2.200 4.200 4.244 3.975 4.457 0.257 11 0 "[ . 1 . 2]" 3 1623 1 194 LEU QB 1 213 LEU H 6.300 . 6.800 2.865 1.999 3.757 . 0 0 "[ . 1 . 2]" 3 1624 1 195 GLU H 1 195 GLU QG 3.300 . 3.800 3.155 2.333 3.453 . 0 0 "[ . 1 . 2]" 3 1625 1 195 GLU H 1 212 THR MG 6.300 . 6.800 4.877 4.563 5.389 . 0 0 "[ . 1 . 2]" 3 1626 1 195 GLU HA 1 211 ILE H 5.300 . 5.800 4.336 3.738 5.021 . 0 0 "[ . 1 . 2]" 3 1627 1 195 GLU HA 1 213 LEU H 3.300 . 3.800 3.546 3.178 3.930 0.130 16 0 "[ . 1 . 2]" 3 1628 1 195 GLU QB 1 196 PHE H 3.500 . 4.000 3.483 3.171 3.717 . 0 0 "[ . 1 . 2]" 3 1629 1 195 GLU QG 1 196 PHE H 6.300 . 6.800 3.941 2.877 4.446 . 0 0 "[ . 1 . 2]" 3 1630 1 196 PHE H 1 196 PHE QD 4.300 . 4.800 1.961 1.841 2.679 . 0 0 "[ . 1 . 2]" 3 1631 1 196 PHE H 1 212 THR HA 3.300 . 3.800 3.500 3.038 3.887 0.087 12 0 "[ . 1 . 2]" 3 1632 1 196 PHE H 1 212 THR MG 6.300 . 6.800 3.304 2.502 4.045 . 0 0 "[ . 1 . 2]" 3 1633 1 196 PHE HA 1 211 ILE H 5.300 . 5.800 4.444 4.218 4.666 . 0 0 "[ . 1 . 2]" 3 1634 1 196 PHE QB 1 197 PHE H 6.300 . 6.800 3.390 2.972 3.656 . 0 0 "[ . 1 . 2]" 3 1635 1 196 PHE QE 1 212 THR H 5.500 . 6.000 4.397 3.955 5.708 . 0 0 "[ . 1 . 2]" 3 1636 1 196 PHE QD 1 210 SER H 5.500 . 6.000 4.946 4.520 5.412 . 0 0 "[ . 1 . 2]" 3 1637 1 196 PHE QE 1 213 LEU H 6.000 . 6.500 3.026 2.308 4.627 . 0 0 "[ . 1 . 2]" 3 1638 1 199 HIS H 1 200 SER QB 4.600 . 5.100 4.354 4.291 4.412 . 0 0 "[ . 1 . 2]" 3 1639 1 199 HIS H 1 202 ALA MB 6.300 . 6.800 5.505 5.103 5.625 . 0 0 "[ . 1 . 2]" 3 1640 1 199 HIS HA 1 201 SER H 3.300 . 3.800 3.498 3.409 3.580 . 0 0 "[ . 1 . 2]" 3 1641 1 199 HIS QB 1 200 SER H 4.300 . 4.800 3.502 3.443 3.583 . 0 0 "[ . 1 . 2]" 3 1642 1 200 SER H 1 202 ALA MB 6.300 . 6.800 5.403 5.197 5.563 . 0 0 "[ . 1 . 2]" 3 1643 1 201 SER H 1 202 ALA MB 4.600 . 5.100 4.045 3.921 4.149 . 0 0 "[ . 1 . 2]" 3 1644 1 201 SER QB 1 203 ASN H 6.300 . 6.800 4.717 4.101 5.735 . 0 0 "[ . 1 . 2]" 3 1645 1 202 ALA H 1 203 ASN QB 6.300 . 6.800 4.623 3.294 5.282 . 0 0 "[ . 1 . 2]" 3 1646 1 202 ALA HA 1 203 ASN H 3.300 . 3.800 3.268 2.560 3.584 . 0 0 "[ . 1 . 2]" 3 1647 1 202 ALA MB 1 203 ASN H 6.300 . 6.800 3.009 1.841 3.735 . 0 0 "[ . 1 . 2]" 3 1648 1 202 ALA MB 1 203 ASN QD 7.300 . 7.800 3.905 2.765 5.203 . 0 0 "[ . 1 . 2]" 3 1649 1 203 ASN HA 1 204 GLY H 3.300 . 3.800 3.414 2.939 3.595 . 0 0 "[ . 1 . 2]" 3 1650 1 203 ASN QB 1 204 GLY H 5.400 . 5.600 3.192 1.877 4.067 . 0 0 "[ . 1 . 2]" 3 1651 1 204 GLY QA 1 206 HIS H 6.300 . 6.800 4.948 3.028 5.993 . 0 0 "[ . 1 . 2]" 3 1652 1 205 ARG QB 1 206 HIS H . . 5.100 3.022 1.861 4.038 . 0 0 "[ . 1 . 2]" 3 1653 1 210 SER H 1 211 ILE HB 5.300 . 5.800 5.589 4.735 5.928 0.128 2 0 "[ . 1 . 2]" 3 1654 1 210 SER H 1 211 ILE MG 5.900 2.200 6.400 5.217 4.787 5.503 . 0 0 "[ . 1 . 2]" 3 1655 1 210 SER H 1 211 ILE MD 6.300 . 6.800 5.585 5.094 5.766 . 0 0 "[ . 1 . 2]" 3 1656 1 210 SER H 1 212 THR MG 6.300 . 6.800 4.255 4.017 4.600 . 0 0 "[ . 1 . 2]" 3 1657 1 211 ILE H 1 211 ILE HB 3.300 . 3.800 3.429 2.764 3.819 0.019 2 0 "[ . 1 . 2]" 3 1658 1 211 ILE H 1 211 ILE MD 4.900 . 5.400 3.951 3.698 4.121 . 0 0 "[ . 1 . 2]" 3 1659 1 211 ILE H 1 213 LEU MD1 6.300 . 6.800 5.535 5.319 5.633 . 0 0 "[ . 1 . 2]" 3 1660 1 211 ILE HA 1 213 LEU H 5.300 . 5.800 5.781 5.656 5.838 0.038 4 0 "[ . 1 . 2]" 3 1661 1 211 ILE HB 1 213 LEU H 3.700 . 4.200 4.284 4.128 4.436 0.236 16 0 "[ . 1 . 2]" 3 1662 1 211 ILE MG 1 212 THR H 3.300 . 3.800 2.546 1.800 3.123 . 0 0 "[ . 1 . 2]" 3 1663 1 211 ILE MD 1 212 THR H 5.000 2.200 5.500 4.346 3.935 4.540 . 0 0 "[ . 1 . 2]" 3 1664 1 212 THR H 1 213 LEU MD1 6.200 . 6.700 3.733 3.470 4.335 . 0 0 "[ . 1 . 2]" 3 1665 1 37 HIS HE1 1 71 VAL H 4.000 . 4.500 4.412 3.885 4.673 0.173 3 0 "[ . 1 . 2]" 3 1666 1 47 TYR QD 1 77 ILE QG 5.000 . 5.500 2.822 2.509 3.006 . 0 0 "[ . 1 . 2]" 3 1667 1 47 TYR QD 1 77 ILE MG 5.000 . 5.500 2.873 2.378 3.163 . 0 0 "[ . 1 . 2]" 3 1668 1 47 TYR QD 1 65 VAL MG1 5.000 . 5.500 4.222 4.003 4.302 . 0 0 "[ . 1 . 2]" 3 1669 1 47 TYR QD 1 65 VAL MG2 5.000 . 5.500 3.265 2.915 3.455 . 0 0 "[ . 1 . 2]" 3 1670 1 47 TYR QE 1 63 ARG H 4.500 . 5.000 3.865 3.339 4.161 . 0 0 "[ . 1 . 2]" 3 1671 1 47 TYR QE 1 64 PRO HA 5.500 . 6.000 5.506 5.213 5.645 . 0 0 "[ . 1 . 2]" 3 1672 1 47 TYR QE 1 77 ILE QG 5.000 . 5.500 3.285 3.130 3.415 . 0 0 "[ . 1 . 2]" 3 1673 1 47 TYR QE 1 65 VAL MG1 5.000 . 5.500 2.847 2.350 3.065 . 0 0 "[ . 1 . 2]" 3 1674 1 93 TYR QD 1 154 LEU HG 5.000 . 5.500 4.247 3.712 5.043 . 0 0 "[ . 1 . 2]" 3 1675 1 93 TYR QD 1 154 LEU MD1 5.000 . 5.500 2.294 1.807 3.699 . 0 0 "[ . 1 . 2]" 3 1676 1 96 PHE QE 1 153 VAL QG 5.000 . 5.500 1.816 1.692 2.193 0.108 8 0 "[ . 1 . 2]" 3 1677 1 46 TRP HZ2 1 96 PHE QE 5.000 . 5.500 2.496 1.957 3.195 . 0 0 "[ . 1 . 2]" 3 1678 1 117 PHE QE 1 163 PHE H 5.000 . 5.500 4.535 4.033 5.179 . 0 0 "[ . 1 . 2]" 3 1679 1 117 PHE QE 1 164 ALA HA 5.500 . 6.000 3.449 2.369 4.848 . 0 0 "[ . 1 . 2]" 3 1680 1 117 PHE QE 1 134 LEU QD 5.500 . 6.000 3.713 3.094 4.126 . 0 0 "[ . 1 . 2]" 3 1681 1 134 LEU QD 1 182 PHE QD 5.500 . 6.000 3.293 2.622 3.886 . 0 0 "[ . 1 . 2]" 3 1682 1 153 VAL MG2 1 166 TRP HE1 5.000 . 5.500 3.648 3.341 4.003 . 0 0 "[ . 1 . 2]" 3 1683 1 153 VAL HB 1 166 TRP HE1 4.000 . 4.500 3.997 3.787 4.137 . 0 0 "[ . 1 . 2]" 3 1684 1 96 PHE HD1 1 100 VAL H 8.000 . 8.500 6.009 5.315 7.571 . 0 0 "[ . 1 . 2]" 3 1685 1 96 PHE QB 1 100 VAL H 6.000 . 6.500 4.631 3.815 5.304 . 0 0 "[ . 1 . 2]" 3 1686 1 101 ARG H 1 166 TRP HZ3 7.000 . 7.500 6.201 5.666 6.705 . 0 0 "[ . 1 . 2]" 3 1687 1 101 ARG H 1 166 TRP HE3 7.000 . 7.500 6.269 5.465 6.896 . 0 0 "[ . 1 . 2]" 3 1688 1 108 ALA H 1 150 ASN QD 6.000 . 6.500 5.227 4.806 5.999 . 0 0 "[ . 1 . 2]" 3 1689 1 104 TRP H 1 166 TRP HZ2 7.000 . 7.500 3.518 2.981 3.989 . 0 0 "[ . 1 . 2]" 3 1690 1 107 GLU QB 1 166 TRP H 7.000 . 7.500 6.502 5.950 6.739 . 0 0 "[ . 1 . 2]" 3 1691 1 144 GLU H 1 147 SER H 6.000 . 6.500 4.819 3.298 6.511 0.011 2 0 "[ . 1 . 2]" 3 1692 1 143 ASP H 1 147 SER H 7.000 . 7.500 5.935 4.767 7.081 . 0 0 "[ . 1 . 2]" 3 1693 1 43 TRP H 1 43 TRP HD1 5.500 . 6.000 2.948 2.109 3.803 . 0 0 "[ . 1 . 2]" 3 1694 1 43 TRP HE3 1 45 LEU H 5.500 . 6.000 4.683 3.868 6.102 0.102 3 0 "[ . 1 . 2]" 3 1695 1 43 TRP HE3 1 44 THR H 5.500 . 6.000 3.426 2.564 5.330 . 0 0 "[ . 1 . 2]" 3 1696 1 46 TRP H 1 46 TRP HD1 5.500 . 6.000 3.178 3.009 3.312 . 0 0 "[ . 1 . 2]" 3 1697 1 46 TRP HZ2 1 96 PHE H 6.000 . 6.500 5.317 4.585 5.950 . 0 0 "[ . 1 . 2]" 3 1698 1 58 TRP H 1 58 TRP HD1 5.500 . 6.000 4.726 4.431 4.949 . 0 0 "[ . 1 . 2]" 3 1699 1 75 TRP H 1 75 TRP HD1 5.500 . 6.000 4.803 4.521 5.114 . 0 0 "[ . 1 . 2]" 3 1700 1 75 TRP HD1 1 76 ALA H 5.500 . 6.000 4.708 4.528 4.926 . 0 0 "[ . 1 . 2]" 3 1701 1 115 TRP H 1 115 TRP HE3 5.500 . 6.000 2.775 2.288 3.211 . 0 0 "[ . 1 . 2]" 3 1702 1 115 TRP HE3 1 165 LEU H 5.500 . 6.000 5.381 5.014 5.674 . 0 0 "[ . 1 . 2]" 3 1703 1 115 TRP HZ2 1 176 LEU H 5.000 . 5.500 3.043 2.720 3.755 . 0 0 "[ . 1 . 2]" 3 1704 1 115 TRP HZ2 1 177 ARG H 5.500 . 6.000 5.385 5.115 5.761 . 0 0 "[ . 1 . 2]" 3 1705 1 115 TRP HZ2 1 179 GLY H 5.000 . 5.500 5.429 5.042 5.601 0.101 10 0 "[ . 1 . 2]" 3 1706 1 115 TRP HZ2 1 180 GLY H 6.500 . 7.000 7.004 6.663 7.112 0.112 14 0 "[ . 1 . 2]" 3 1707 1 130 TRP HD1 1 131 LEU H 5.500 . 6.000 3.215 1.971 4.077 . 0 0 "[ . 1 . 2]" 3 1708 1 106 ASP H 1 166 TRP HZ2 6.500 . 7.000 5.390 5.145 5.725 . 0 0 "[ . 1 . 2]" 3 1709 1 165 LEU H 1 166 TRP HD1 5.500 . 6.000 3.979 3.382 4.521 . 0 0 "[ . 1 . 2]" 3 1710 1 166 TRP H 1 166 TRP HD1 5.500 . 6.000 3.386 3.241 3.544 . 0 0 "[ . 1 . 2]" 3 1711 1 203 ASN QD 1 205 ARG HA 7.000 . 7.500 6.294 5.431 6.746 . 0 0 "[ . 1 . 2]" 3 1712 1 203 ASN QD 1 204 GLY QA 7.000 . 7.500 4.776 2.763 5.947 . 0 0 "[ . 1 . 2]" 3 1713 1 199 HIS H 1 203 ASN QD 5.500 . 6.000 5.232 4.969 5.412 . 0 0 "[ . 1 . 2]" 3 1714 1 196 PHE QD 1 197 PHE H 6.000 . 6.500 4.678 4.178 4.895 . 0 0 "[ . 1 . 2]" 3 1715 1 172 LYS QG 1 199 HIS H 6.500 . 7.000 6.297 6.152 6.415 . 0 0 "[ . 1 . 2]" 3 1716 1 97 ARG H 1 100 VAL MG1 5.500 . 6.000 3.666 2.362 4.959 . 0 0 "[ . 1 . 2]" 3 1717 1 60 ASP H 1 62 LEU QB 5.500 . 6.000 4.934 4.767 5.110 . 0 0 "[ . 1 . 2]" 3 1718 1 61 LEU H 1 62 LEU QB 5.500 . 6.000 3.764 3.662 3.961 . 0 0 "[ . 1 . 2]" 3 1719 1 61 LEU H 1 62 LEU HG 5.500 . 6.000 5.399 4.973 5.900 . 0 0 "[ . 1 . 2]" 3 1720 1 47 TYR H 1 62 LEU QB 5.500 . 6.000 5.281 5.054 5.478 . 0 0 "[ . 1 . 2]" 3 1721 1 47 TYR H 1 62 LEU HG 5.500 . 6.000 5.941 4.982 6.078 0.078 10 0 "[ . 1 . 2]" 3 1722 1 62 LEU QB 1 63 ARG H 5.500 . 6.000 3.617 3.474 3.795 . 0 0 "[ . 1 . 2]" 3 1723 1 62 LEU HG 1 63 ARG H 5.500 . 6.000 4.406 3.822 4.716 . 0 0 "[ . 1 . 2]" 3 1724 1 52 VAL H 1 61 LEU MD2 5.500 . 6.000 3.779 1.741 4.821 0.059 20 0 "[ . 1 . 2]" 3 1725 1 53 ASP H 1 61 LEU MD2 5.500 . 6.000 3.688 2.813 4.813 . 0 0 "[ . 1 . 2]" 3 1726 1 52 VAL QG 1 55 SER H 5.500 . 6.000 3.449 2.468 4.559 . 0 0 "[ . 1 . 2]" 3 1727 1 52 VAL QG 1 56 GLU H 5.500 . 6.000 4.053 2.793 4.503 . 0 0 "[ . 1 . 2]" 3 1728 1 59 SER H 1 60 ASP QB 5.500 . 6.000 4.101 3.862 4.441 . 0 0 "[ . 1 . 2]" 3 1729 1 59 SER H 1 60 ASP HA 5.500 . 6.000 5.064 4.991 5.139 . 0 0 "[ . 1 . 2]" 3 1730 1 114 LYS H 1 166 TRP HE1 6.500 . 7.000 5.874 5.355 6.395 . 0 0 "[ . 1 . 2]" 3 1731 1 197 PHE HA 1 210 SER H 6.500 . 7.000 3.287 2.814 3.801 . 0 0 "[ . 1 . 2]" 3 1732 1 197 PHE QB 1 210 SER H 6.500 . 7.000 4.980 4.529 5.404 . 0 0 "[ . 1 . 2]" 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 3 _Distance_constraint_stats_list.Viol_count 31 _Distance_constraint_stats_list.Viol_total 68.959 _Distance_constraint_stats_list.Viol_max 0.369 _Distance_constraint_stats_list.Viol_rms 0.0808 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0575 _Distance_constraint_stats_list.Viol_average_violations_only 0.1112 _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 1 104 TRP 1.563 0.134 13 0 "[ . 1 . 2]" 1 105 GLU 1.885 0.369 1 0 "[ . 1 . 2]" 2 1 M7G 3.448 0.369 1 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 105 GLU OE1 2 1 M7G N2 2.900 2.500 3.300 2.951 2.395 3.669 0.369 1 0 "[ . 1 . 2]" 4 2 1 104 TRP H 2 1 M7G O6 2.150 . 2.500 2.578 2.529 2.634 0.134 13 0 "[ . 1 . 2]" 4 3 1 104 TRP N 2 1 M7G O6 2.900 2.500 3.300 3.012 2.926 3.128 . 0 0 "[ . 1 . 2]" 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 120 _Distance_constraint_stats_list.Viol_count 899 _Distance_constraint_stats_list.Viol_total 858.444 _Distance_constraint_stats_list.Viol_max 0.185 _Distance_constraint_stats_list.Viol_rms 0.0316 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0179 _Distance_constraint_stats_list.Viol_average_violations_only 0.0477 _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 44 THR 2.204 0.157 14 0 "[ . 1 . 2]" 1 45 LEU 1.797 0.136 4 0 "[ . 1 . 2]" 1 46 TRP 0.893 0.096 13 0 "[ . 1 . 2]" 1 47 TYR 0.407 0.050 11 0 "[ . 1 . 2]" 1 48 THR 1.641 0.130 19 0 "[ . 1 . 2]" 1 57 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 61 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 63 ARG 0.407 0.050 11 0 "[ . 1 . 2]" 1 65 VAL 1.797 0.136 4 0 "[ . 1 . 2]" 1 71 VAL 0.573 0.086 19 0 "[ . 1 . 2]" 1 72 GLU 0.070 0.030 6 0 "[ . 1 . 2]" 1 73 GLU 4.866 0.185 15 0 "[ . 1 . 2]" 1 74 PHE 0.885 0.097 6 0 "[ . 1 . 2]" 1 75 TRP 1.303 0.129 16 0 "[ . 1 . 2]" 1 76 ALA 3.723 0.140 11 0 "[ . 1 . 2]" 1 77 ILE 4.866 0.185 15 0 "[ . 1 . 2]" 1 78 ILE 0.885 0.097 6 0 "[ . 1 . 2]" 1 79 GLN 0.730 0.129 16 0 "[ . 1 . 2]" 1 80 ASN 3.653 0.140 11 0 "[ . 1 . 2]" 1 91 SER 1.663 0.163 7 0 "[ . 1 . 2]" 1 92 ASP 1.641 0.130 19 0 "[ . 1 . 2]" 1 93 TYR 1.201 0.102 19 0 "[ . 1 . 2]" 1 94 HIS 0.893 0.096 13 0 "[ . 1 . 2]" 1 95 VAL 1.125 0.092 3 0 "[ . 1 . 2]" 1 96 PHE 2.204 0.157 14 0 "[ . 1 . 2]" 1 106 ASP 0.025 0.025 9 0 "[ . 1 . 2]" 1 110 ALA 0.025 0.025 9 0 "[ . 1 . 2]" 1 113 GLY 0.230 0.053 18 0 "[ . 1 . 2]" 1 114 LYS 0.039 0.027 13 0 "[ . 1 . 2]" 1 115 TRP 0.982 0.111 5 0 "[ . 1 . 2]" 1 116 SER 0.878 0.084 5 0 "[ . 1 . 2]" 1 117 PHE 1.897 0.119 10 0 "[ . 1 . 2]" 1 119 LEU 0.405 0.050 1 0 "[ . 1 . 2]" 1 126 ILE 0.143 0.058 7 0 "[ . 1 . 2]" 1 127 ASP 0.833 0.089 7 0 "[ . 1 . 2]" 1 128 GLU 0.118 0.060 19 0 "[ . 1 . 2]" 1 129 LEU 0.865 0.065 2 0 "[ . 1 . 2]" 1 130 TRP 0.186 0.058 7 0 "[ . 1 . 2]" 1 131 LEU 1.270 0.089 7 0 "[ . 1 . 2]" 1 132 ARG 1.716 0.104 11 0 "[ . 1 . 2]" 1 133 THR 0.910 0.065 2 0 "[ . 1 . 2]" 1 134 LEU 0.675 0.081 16 0 "[ . 1 . 2]" 1 135 LEU 0.437 0.084 11 0 "[ . 1 . 2]" 1 136 ALA 1.598 0.104 11 0 "[ . 1 . 2]" 1 137 VAL 0.044 0.014 15 0 "[ . 1 . 2]" 1 138 ILE 0.632 0.081 16 0 "[ . 1 . 2]" 1 151 GLY 0.326 0.077 3 0 "[ . 1 . 2]" 1 152 VAL 1.125 0.092 3 0 "[ . 1 . 2]" 1 153 VAL 2.207 0.100 1 0 "[ . 1 . 2]" 1 154 LEU 1.201 0.102 19 0 "[ . 1 . 2]" 1 155 SER 0.630 0.086 6 0 "[ . 1 . 2]" 1 156 ILE 1.663 0.163 7 0 "[ . 1 . 2]" 1 161 ASN 0.405 0.050 1 0 "[ . 1 . 2]" 1 162 LYS 0.630 0.086 6 0 "[ . 1 . 2]" 1 163 PHE 1.897 0.119 10 0 "[ . 1 . 2]" 1 164 ALA 2.207 0.100 1 0 "[ . 1 . 2]" 1 165 LEU 0.982 0.111 5 0 "[ . 1 . 2]" 1 166 TRP 0.326 0.077 3 0 "[ . 1 . 2]" 1 167 THR 0.230 0.053 18 0 "[ . 1 . 2]" 1 173 GLU 1.235 0.089 14 0 "[ . 1 . 2]" 1 174 PRO 0.081 0.046 4 0 "[ . 1 . 2]" 1 175 LEU 0.462 0.098 8 0 "[ . 1 . 2]" 1 176 LEU 0.391 0.069 7 0 "[ . 1 . 2]" 1 177 ARG 2.348 0.128 18 0 "[ . 1 . 2]" 1 178 ILE 0.638 0.118 18 0 "[ . 1 . 2]" 1 179 GLY 0.597 0.098 8 0 "[ . 1 . 2]" 1 180 GLY 1.894 0.117 15 0 "[ . 1 . 2]" 1 181 LYS 1.416 0.128 18 0 "[ . 1 . 2]" 1 182 PHE 0.557 0.118 18 0 "[ . 1 . 2]" 1 183 LYS 0.135 0.053 8 0 "[ . 1 . 2]" 1 184 GLN 1.503 0.117 15 0 "[ . 1 . 2]" 1 185 VAL 0.303 0.053 14 0 "[ . 1 . 2]" 1 194 LEU 0.456 0.130 11 0 "[ . 1 . 2]" 1 195 GLU 0.878 0.084 5 0 "[ . 1 . 2]" 1 196 PHE 2.645 0.155 17 0 "[ . 1 . 2]" 1 197 PHE 0.039 0.027 13 0 "[ . 1 . 2]" 1 211 ILE 2.645 0.155 17 0 "[ . 1 . 2]" 1 213 LEU 0.456 0.130 11 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 46 TRP O 1 94 HIS H 2.150 . 2.500 1.963 1.744 2.290 0.056 18 0 "[ . 1 . 2]" 5 2 1 46 TRP O 1 94 HIS N 2.900 2.500 3.300 2.670 2.439 3.179 0.061 11 0 "[ . 1 . 2]" 5 3 1 47 TYR O 1 63 ARG H 2.150 . 2.500 1.876 1.750 2.186 0.050 11 0 "[ . 1 . 2]" 5 4 1 47 TYR O 1 63 ARG N 2.900 2.500 3.300 2.799 2.635 3.048 . 0 0 "[ . 1 . 2]" 5 5 1 48 THR O 1 92 ASP H 2.150 . 2.500 2.501 2.208 2.630 0.130 19 0 "[ . 1 . 2]" 5 6 1 48 THR O 1 92 ASP N 2.900 2.500 3.300 3.236 2.920 3.337 0.037 5 0 "[ . 1 . 2]" 5 7 1 47 TYR H 1 63 ARG O 2.150 . 2.500 2.412 2.237 2.518 0.018 2 0 "[ . 1 . 2]" 5 8 1 47 TYR N 1 63 ARG O 2.900 2.500 3.300 3.275 3.112 3.346 0.046 16 0 "[ . 1 . 2]" 5 9 1 91 SER O 1 156 ILE H 2.150 . 2.500 2.039 1.700 2.333 0.100 7 0 "[ . 1 . 2]" 5 10 1 91 SER O 1 156 ILE N 2.900 2.500 3.300 2.732 2.583 2.923 . 0 0 "[ . 1 . 2]" 5 11 1 48 THR H 1 92 ASP O 2.150 . 2.500 1.806 1.705 2.083 0.095 14 0 "[ . 1 . 2]" 5 12 1 48 THR N 1 92 ASP O 2.900 2.500 3.300 2.596 2.461 2.909 0.039 5 0 "[ . 1 . 2]" 5 13 1 93 TYR O 1 154 LEU H 2.150 . 2.500 1.833 1.698 2.053 0.102 19 0 "[ . 1 . 2]" 5 14 1 93 TYR O 1 154 LEU N 2.900 2.500 3.300 2.681 2.422 2.937 0.078 4 0 "[ . 1 . 2]" 5 15 1 46 TRP H 1 94 HIS O 2.150 . 2.500 1.812 1.704 2.123 0.096 13 0 "[ . 1 . 2]" 5 16 1 46 TRP N 1 94 HIS O 2.900 2.500 3.300 2.681 2.570 3.046 . 0 0 "[ . 1 . 2]" 5 17 1 95 VAL O 1 152 VAL H 2.150 . 2.500 2.380 2.225 2.553 0.053 2 0 "[ . 1 . 2]" 5 18 1 95 VAL O 1 152 VAL N 2.900 2.500 3.300 3.301 3.171 3.392 0.092 3 0 "[ . 1 . 2]" 5 19 1 113 GLY O 1 167 THR H 2.150 . 2.500 2.244 1.846 2.506 0.006 1 0 "[ . 1 . 2]" 5 20 1 113 GLY O 1 167 THR N 2.900 2.500 3.300 3.138 2.558 3.353 0.053 18 0 "[ . 1 . 2]" 5 21 1 114 LYS O 1 197 PHE H 2.150 . 2.500 2.057 1.773 2.395 0.027 13 0 "[ . 1 . 2]" 5 22 1 114 LYS O 1 197 PHE N 2.900 2.500 3.300 2.869 2.637 3.274 . 0 0 "[ . 1 . 2]" 5 23 1 115 TRP O 1 165 LEU H 2.150 . 2.500 1.934 1.689 2.540 0.111 5 0 "[ . 1 . 2]" 5 24 1 115 TRP O 1 165 LEU N 2.900 2.500 3.300 2.767 2.430 3.254 0.070 3 0 "[ . 1 . 2]" 5 25 1 116 SER O 1 195 GLU H 2.150 . 2.500 1.902 1.749 2.296 0.051 11 0 "[ . 1 . 2]" 5 26 1 116 SER O 1 195 GLU N 2.900 2.500 3.300 2.591 2.468 2.735 0.032 20 0 "[ . 1 . 2]" 5 27 1 117 PHE O 1 163 PHE H 2.150 . 2.500 2.527 2.364 2.619 0.119 10 0 "[ . 1 . 2]" 5 28 1 117 PHE O 1 163 PHE N 2.900 2.500 3.300 3.347 3.153 3.400 0.100 4 0 "[ . 1 . 2]" 5 29 1 57 SER O 1 61 LEU H 2.150 . 2.500 2.182 1.878 2.388 . 0 0 "[ . 1 . 2]" 5 30 1 57 SER O 1 61 LEU N 2.900 2.500 3.300 2.968 2.711 3.129 . 0 0 "[ . 1 . 2]" 5 31 1 71 VAL O 1 75 TRP H 2.150 . 2.500 1.800 1.714 2.114 0.086 19 0 "[ . 1 . 2]" 5 32 1 71 VAL O 1 75 TRP N 2.900 2.500 3.300 2.738 2.654 3.045 . 0 0 "[ . 1 . 2]" 5 33 1 72 GLU O 1 76 ALA H 2.150 . 2.500 2.253 2.021 2.530 0.030 6 0 "[ . 1 . 2]" 5 34 1 72 GLU O 1 76 ALA N 2.900 2.500 3.300 2.981 2.742 3.317 0.017 2 0 "[ . 1 . 2]" 5 35 1 73 GLU O 1 77 ILE H 2.150 . 2.500 2.601 2.556 2.652 0.152 15 0 "[ . 1 . 2]" 5 36 1 73 GLU O 1 77 ILE N 2.900 2.500 3.300 3.443 3.409 3.485 0.185 15 0 "[ . 1 . 2]" 5 37 1 74 PHE O 1 78 ILE H 2.150 . 2.500 2.485 2.422 2.531 0.031 14 0 "[ . 1 . 2]" 5 38 1 74 PHE O 1 78 ILE N 2.900 2.500 3.300 3.339 3.296 3.397 0.097 6 0 "[ . 1 . 2]" 5 39 1 75 TRP O 1 79 GLN H 2.150 . 2.500 1.789 1.671 1.991 0.129 16 0 "[ . 1 . 2]" 5 40 1 75 TRP O 1 79 GLN N 2.900 2.500 3.300 2.620 2.497 2.873 0.003 4 0 "[ . 1 . 2]" 5 41 1 76 ALA O 1 80 ASN H 2.150 . 2.500 2.587 2.541 2.635 0.135 11 0 "[ . 1 . 2]" 5 42 1 76 ALA O 1 80 ASN N 2.900 2.500 3.300 3.396 3.365 3.440 0.140 11 0 "[ . 1 . 2]" 5 43 1 106 ASP O 1 110 ALA H 2.150 . 2.500 2.065 1.775 2.360 0.025 9 0 "[ . 1 . 2]" 5 44 1 106 ASP O 1 110 ALA N 2.900 2.500 3.300 2.874 2.550 3.209 . 0 0 "[ . 1 . 2]" 5 45 1 119 LEU O 1 161 ASN H 2.150 . 2.500 2.416 2.148 2.550 0.050 1 0 "[ . 1 . 2]" 5 46 1 119 LEU O 1 161 ASN N 2.900 2.500 3.300 3.198 2.999 3.335 0.035 6 0 "[ . 1 . 2]" 5 47 1 126 ILE O 1 130 TRP H 2.150 . 2.500 2.121 1.742 2.381 0.058 7 0 "[ . 1 . 2]" 5 48 1 126 ILE O 1 130 TRP N 2.900 2.500 3.300 3.072 2.602 3.342 0.042 11 0 "[ . 1 . 2]" 5 49 1 127 ASP O 1 131 LEU H 2.150 . 2.500 2.494 2.337 2.584 0.084 11 0 "[ . 1 . 2]" 5 50 1 127 ASP O 1 131 LEU N 2.900 2.500 3.300 3.300 3.125 3.389 0.089 7 0 "[ . 1 . 2]" 5 51 1 128 GLU O 1 132 ARG H 2.150 . 2.500 2.082 1.856 2.420 . 0 0 "[ . 1 . 2]" 5 52 1 128 GLU O 1 132 ARG N 2.900 2.500 3.300 3.028 2.800 3.360 0.060 19 0 "[ . 1 . 2]" 5 53 1 129 LEU O 1 133 THR H 2.150 . 2.500 2.494 2.159 2.565 0.065 2 0 "[ . 1 . 2]" 5 54 1 129 LEU O 1 133 THR N 2.900 2.500 3.300 3.290 3.057 3.351 0.051 13 0 "[ . 1 . 2]" 5 55 1 130 TRP O 1 134 LEU H 2.150 . 2.500 2.374 2.180 2.505 0.005 4 0 "[ . 1 . 2]" 5 56 1 130 TRP O 1 134 LEU N 2.900 2.500 3.300 3.176 2.979 3.325 0.025 15 0 "[ . 1 . 2]" 5 57 1 131 LEU O 1 135 LEU H 2.150 . 2.500 1.905 1.716 2.163 0.084 11 0 "[ . 1 . 2]" 5 58 1 131 LEU O 1 135 LEU N 2.900 2.500 3.300 2.724 2.491 2.945 0.009 11 0 "[ . 1 . 2]" 5 59 1 132 ARG O 1 136 ALA H 2.150 . 2.500 2.557 2.509 2.604 0.104 11 0 "[ . 1 . 2]" 5 60 1 132 ARG O 1 136 ALA N 2.900 2.500 3.300 3.318 3.262 3.362 0.062 13 0 "[ . 1 . 2]" 5 61 1 133 THR O 1 137 VAL H 2.150 . 2.500 2.318 2.096 2.510 0.010 11 0 "[ . 1 . 2]" 5 62 1 133 THR O 1 137 VAL N 2.900 2.500 3.300 3.096 2.871 3.314 0.014 15 0 "[ . 1 . 2]" 5 63 1 134 LEU O 1 138 ILE H 2.150 . 2.500 2.453 2.343 2.538 0.038 5 0 "[ . 1 . 2]" 5 64 1 134 LEU O 1 138 ILE N 2.900 2.500 3.300 3.295 3.081 3.381 0.081 16 0 "[ . 1 . 2]" 5 65 1 151 GLY O 1 166 TRP H 2.150 . 2.500 1.819 1.723 1.953 0.077 3 0 "[ . 1 . 2]" 5 66 1 151 GLY O 1 166 TRP N 2.900 2.500 3.300 2.628 2.508 2.787 . 0 0 "[ . 1 . 2]" 5 67 1 95 VAL H 1 152 VAL O 2.150 . 2.500 2.402 2.237 2.514 0.014 12 0 "[ . 1 . 2]" 5 68 1 95 VAL N 1 152 VAL O 2.900 2.500 3.300 3.323 3.206 3.379 0.079 19 0 "[ . 1 . 2]" 5 69 1 153 VAL O 1 164 ALA H 2.150 . 2.500 1.752 1.725 1.794 0.075 11 0 "[ . 1 . 2]" 5 70 1 153 VAL O 1 164 ALA N 2.900 2.500 3.300 2.636 2.498 2.715 0.002 16 0 "[ . 1 . 2]" 5 71 1 93 TYR H 1 154 LEU O 2.150 . 2.500 1.816 1.721 2.038 0.079 8 0 "[ . 1 . 2]" 5 72 1 93 TYR N 1 154 LEU O 2.900 2.500 3.300 2.600 2.477 2.897 0.023 10 0 "[ . 1 . 2]" 5 73 1 155 SER O 1 162 LYS H 2.150 . 2.500 2.015 1.796 2.438 0.004 12 0 "[ . 1 . 2]" 5 74 1 155 SER O 1 162 LYS N 2.900 2.500 3.300 2.749 2.486 3.160 0.014 1 0 "[ . 1 . 2]" 5 75 1 91 SER H 1 156 ILE O 2.150 . 2.500 2.575 2.519 2.663 0.163 7 0 "[ . 1 . 2]" 5 76 1 91 SER N 1 156 ILE O 2.900 2.500 3.300 2.904 2.829 3.053 . 0 0 "[ . 1 . 2]" 5 77 1 119 LEU H 1 161 ASN O 2.150 . 2.500 2.064 1.753 2.302 0.047 1 0 "[ . 1 . 2]" 5 78 1 119 LEU N 1 161 ASN O 2.900 2.500 3.300 2.949 2.671 3.241 . 0 0 "[ . 1 . 2]" 5 79 1 155 SER H 1 162 LYS O 2.150 . 2.500 1.793 1.714 1.918 0.086 6 0 "[ . 1 . 2]" 5 80 1 155 SER N 1 162 LYS O 2.900 2.500 3.300 2.612 2.478 2.825 0.022 9 0 "[ . 1 . 2]" 5 81 1 117 PHE H 1 163 PHE O 2.150 . 2.500 2.129 1.754 2.539 0.046 10 0 "[ . 1 . 2]" 5 82 1 117 PHE N 1 163 PHE O 2.900 2.500 3.300 2.949 2.532 3.281 . 0 0 "[ . 1 . 2]" 5 83 1 153 VAL H 1 164 ALA O 2.150 . 2.500 1.784 1.700 1.898 0.100 1 0 "[ . 1 . 2]" 5 84 1 153 VAL N 1 164 ALA O 2.900 2.500 3.300 2.529 2.420 2.753 0.080 19 0 "[ . 1 . 2]" 5 85 1 115 TRP H 1 165 LEU O 2.150 . 2.500 1.839 1.698 2.056 0.102 14 0 "[ . 1 . 2]" 5 86 1 115 TRP N 1 165 LEU O 2.900 2.500 3.300 2.764 2.574 3.014 . 0 0 "[ . 1 . 2]" 5 87 1 173 GLU O 1 177 ARG H 2.150 . 2.500 2.530 2.467 2.583 0.083 14 0 "[ . 1 . 2]" 5 88 1 173 GLU O 1 177 ARG N 2.900 2.500 3.300 3.324 3.259 3.389 0.089 14 0 "[ . 1 . 2]" 5 89 1 174 PRO O 1 178 ILE H 2.150 . 2.500 2.245 1.835 2.514 0.014 4 0 "[ . 1 . 2]" 5 90 1 174 PRO O 1 178 ILE N 2.900 2.500 3.300 3.096 2.595 3.346 0.046 4 0 "[ . 1 . 2]" 5 91 1 175 LEU O 1 179 GLY H 2.150 . 2.500 1.827 1.702 1.990 0.098 8 0 "[ . 1 . 2]" 5 92 1 175 LEU O 1 179 GLY N 2.900 2.500 3.300 2.768 2.564 2.918 . 0 0 "[ . 1 . 2]" 5 93 1 176 LEU O 1 180 GLY H 2.150 . 2.500 2.367 2.164 2.519 0.019 11 0 "[ . 1 . 2]" 5 94 1 176 LEU O 1 180 GLY N 2.900 2.500 3.300 3.255 3.078 3.369 0.069 7 0 "[ . 1 . 2]" 5 95 1 177 ARG O 1 181 LYS H 2.150 . 2.500 2.389 2.318 2.469 . 0 0 "[ . 1 . 2]" 5 96 1 177 ARG O 1 181 LYS N 2.900 2.500 3.300 3.355 3.286 3.428 0.128 18 0 "[ . 1 . 2]" 5 97 1 178 ILE O 1 182 PHE H 2.150 . 2.500 1.842 1.682 2.123 0.118 18 0 "[ . 1 . 2]" 5 98 1 178 ILE O 1 182 PHE N 2.900 2.500 3.300 2.766 2.613 2.968 . 0 0 "[ . 1 . 2]" 5 99 1 179 GLY O 1 183 LYS H 2.150 . 2.500 2.005 1.747 2.514 0.053 8 0 "[ . 1 . 2]" 5 100 1 179 GLY O 1 183 LYS N 2.900 2.500 3.300 2.708 2.459 3.250 0.041 20 0 "[ . 1 . 2]" 5 101 1 180 GLY O 1 184 GLN H 2.150 . 2.500 2.477 2.394 2.617 0.117 15 0 "[ . 1 . 2]" 5 102 1 180 GLY O 1 184 GLN N 2.900 2.500 3.300 3.364 3.315 3.410 0.110 8 0 "[ . 1 . 2]" 5 103 1 181 LYS O 1 185 VAL H 2.150 . 2.500 2.278 2.005 2.410 . 0 0 "[ . 1 . 2]" 5 104 1 181 LYS O 1 185 VAL N 2.900 2.500 3.300 3.232 2.940 3.353 0.053 14 0 "[ . 1 . 2]" 5 105 1 194 LEU O 1 213 LEU H 2.150 . 2.500 2.029 1.749 2.630 0.130 11 0 "[ . 1 . 2]" 5 106 1 194 LEU O 1 213 LEU N 2.900 2.500 3.300 2.761 2.469 3.276 0.031 8 0 "[ . 1 . 2]" 5 107 1 116 SER H 1 195 GLU O 2.150 . 2.500 1.859 1.716 2.236 0.084 5 0 "[ . 1 . 2]" 5 108 1 116 SER N 1 195 GLU O 2.900 2.500 3.300 2.658 2.459 2.984 0.041 6 0 "[ . 1 . 2]" 5 109 1 196 PHE O 1 211 ILE H 2.150 . 2.500 2.501 2.410 2.579 0.079 18 0 "[ . 1 . 2]" 5 110 1 196 PHE O 1 211 ILE N 2.900 2.500 3.300 3.400 3.349 3.455 0.155 17 0 "[ . 1 . 2]" 5 111 1 196 PHE H 1 211 ILE O 2.150 . 2.500 2.001 1.753 2.529 0.047 15 0 "[ . 1 . 2]" 5 112 1 196 PHE N 1 211 ILE O 2.900 2.500 3.300 2.920 2.659 3.312 0.012 16 0 "[ . 1 . 2]" 5 113 1 44 THR O 1 96 PHE H 2.150 . 2.500 2.522 2.317 2.601 0.101 1 0 "[ . 1 . 2]" 5 114 1 44 THR O 1 96 PHE N 2.900 2.500 3.300 3.301 3.203 3.393 0.093 5 0 "[ . 1 . 2]" 5 115 1 45 LEU O 1 65 VAL H 2.150 . 2.500 1.805 1.722 1.890 0.078 16 0 "[ . 1 . 2]" 5 116 1 45 LEU O 1 65 VAL N 2.900 2.500 3.300 2.686 2.408 2.804 0.092 4 0 "[ . 1 . 2]" 5 117 1 45 LEU H 1 65 VAL O 2.150 . 2.500 2.415 2.361 2.584 0.084 6 0 "[ . 1 . 2]" 5 118 1 45 LEU N 1 65 VAL O 2.900 2.500 3.300 3.358 3.332 3.436 0.136 4 0 "[ . 1 . 2]" 5 119 1 44 THR H 1 96 PHE O 2.150 . 2.500 2.292 1.897 2.555 0.055 10 0 "[ . 1 . 2]" 5 120 1 44 THR N 1 96 PHE O 2.900 2.500 3.300 3.162 2.747 3.457 0.157 14 0 "[ . 1 . 2]" 5 stop_ save_
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