NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
388852 | 1n6u | 5049 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1n6u 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 1815 _Distance_constraint_stats_list.Viol_count 8296 _Distance_constraint_stats_list.Viol_total 16896.578 _Distance_constraint_stats_list.Viol_max 0.486 _Distance_constraint_stats_list.Viol_rms 0.0528 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0192 _Distance_constraint_stats_list.Viol_average_violations_only 0.0926 _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 5 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 6 ASP 0.091 0.034 7 0 "[ . 1 . 2 ]" 1 7 TYR 0.091 0.034 7 0 "[ . 1 . 2 ]" 1 8 THR 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 9 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 10 GLU 0.270 0.146 22 0 "[ . 1 . 2 ]" 1 11 SER 5.655 0.335 22 0 "[ . 1 . 2 ]" 1 12 CYS 14.783 0.335 11 0 "[ . 1 . 2 ]" 1 13 THR 13.355 0.335 11 0 "[ . 1 . 2 ]" 1 14 PHE 19.920 0.408 9 0 "[ . 1 . 2 ]" 1 15 LYS 6.020 0.278 17 0 "[ . 1 . 2 ]" 1 16 ILE 21.566 0.304 19 0 "[ . 1 . 2 ]" 1 17 SER 13.087 0.278 17 0 "[ . 1 . 2 ]" 1 18 LEU 10.628 0.193 11 0 "[ . 1 . 2 ]" 1 19 ARG 1.148 0.123 5 0 "[ . 1 . 2 ]" 1 20 ASN 3.562 0.210 11 0 "[ . 1 . 2 ]" 1 21 PHE 3.246 0.193 11 0 "[ . 1 . 2 ]" 1 22 ARG 0.161 0.126 21 0 "[ . 1 . 2 ]" 1 23 SER 12.230 0.162 19 0 "[ . 1 . 2 ]" 1 24 ILE 17.484 0.309 2 0 "[ . 1 . 2 ]" 1 25 LEU 17.476 0.348 14 0 "[ . 1 . 2 ]" 1 26 SER 11.978 0.248 13 0 "[ . 1 . 2 ]" 1 27 TRP 32.747 0.362 22 0 "[ . 1 . 2 ]" 1 28 GLU 12.551 0.450 14 0 "[ . 1 . 2 ]" 1 29 LEU 18.569 0.349 20 0 "[ . 1 . 2 ]" 1 30 LYS 11.683 0.450 14 0 "[ . 1 . 2 ]" 1 31 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 33 SER 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 34 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 35 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 36 PRO 1.213 0.091 20 0 "[ . 1 . 2 ]" 1 37 THR 3.292 0.308 20 0 "[ . 1 . 2 ]" 1 38 HIS 27.932 0.436 14 0 "[ . 1 . 2 ]" 1 39 TYR 18.751 0.280 1 0 "[ . 1 . 2 ]" 1 40 THR 19.068 0.281 8 0 "[ . 1 . 2 ]" 1 41 LEU 2.253 0.163 6 0 "[ . 1 . 2 ]" 1 42 LEU 25.079 0.413 12 0 "[ . 1 . 2 ]" 1 43 TYR 22.214 0.330 18 0 "[ . 1 . 2 ]" 1 44 THR 5.574 0.200 8 0 "[ . 1 . 2 ]" 1 45 ILE 13.441 0.334 12 0 "[ . 1 . 2 ]" 1 46 MET 4.356 0.129 10 0 "[ . 1 . 2 ]" 1 47 SER 0.119 0.045 12 0 "[ . 1 . 2 ]" 1 48 LYS 2.962 0.121 19 0 "[ . 1 . 2 ]" 1 49 PRO 6.877 0.273 13 0 "[ . 1 . 2 ]" 1 50 GLU 7.198 0.273 13 0 "[ . 1 . 2 ]" 1 51 ASP 3.456 0.146 13 0 "[ . 1 . 2 ]" 1 52 LEU 5.324 0.186 14 0 "[ . 1 . 2 ]" 1 53 LYS 8.799 0.243 8 0 "[ . 1 . 2 ]" 1 54 VAL 4.034 0.278 11 0 "[ . 1 . 2 ]" 1 55 VAL 8.245 0.243 8 0 "[ . 1 . 2 ]" 1 57 ASN 0.288 0.105 19 0 "[ . 1 . 2 ]" 1 58 CYS 2.133 0.105 19 0 "[ . 1 . 2 ]" 1 59 ALA 6.569 0.252 20 0 "[ . 1 . 2 ]" 1 60 ASN 12.960 0.436 14 0 "[ . 1 . 2 ]" 1 61 THR 11.209 0.241 1 0 "[ . 1 . 2 ]" 1 62 THR 19.076 0.352 3 0 "[ . 1 . 2 ]" 1 63 ARG 12.865 0.352 3 0 "[ . 1 . 2 ]" 1 64 SER 9.454 0.196 17 0 "[ . 1 . 2 ]" 1 65 PHE 1.917 0.247 9 0 "[ . 1 . 2 ]" 1 66 CYS 0.649 0.118 6 0 "[ . 1 . 2 ]" 1 67 ASP 3.751 0.152 4 0 "[ . 1 . 2 ]" 1 68 LEU 12.038 0.309 2 0 "[ . 1 . 2 ]" 1 69 THR 5.740 0.162 19 0 "[ . 1 . 2 ]" 1 70 ASP 0.136 0.035 2 0 "[ . 1 . 2 ]" 1 71 GLU 0.282 0.029 14 0 "[ . 1 . 2 ]" 1 72 TRP 15.959 0.330 18 0 "[ . 1 . 2 ]" 1 73 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 74 SER 1.318 0.038 16 0 "[ . 1 . 2 ]" 1 75 THR 0.403 0.040 14 0 "[ . 1 . 2 ]" 1 76 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 77 GLU 15.219 0.334 12 0 "[ . 1 . 2 ]" 1 78 ALA 9.217 0.169 5 0 "[ . 1 . 2 ]" 1 79 TYR 25.192 0.348 14 0 "[ . 1 . 2 ]" 1 80 VAL 9.469 0.200 8 0 "[ . 1 . 2 ]" 1 81 THR 23.530 0.285 13 0 "[ . 1 . 2 ]" 1 82 VAL 6.604 0.181 18 0 "[ . 1 . 2 ]" 1 83 LEU 34.063 0.413 12 0 "[ . 1 . 2 ]" 1 84 GLU 16.632 0.379 10 0 "[ . 1 . 2 ]" 1 85 GLY 2.579 0.265 20 0 "[ . 1 . 2 ]" 1 86 PHE 8.941 0.280 1 0 "[ . 1 . 2 ]" 1 87 SER 7.808 0.292 22 0 "[ . 1 . 2 ]" 1 89 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 90 THR 6.604 0.206 16 0 "[ . 1 . 2 ]" 1 91 THR 12.480 0.297 20 0 "[ . 1 . 2 ]" 1 92 LEU 11.428 0.297 20 0 "[ . 1 . 2 ]" 1 93 PHE 10.170 0.362 21 0 "[ . 1 . 2 ]" 1 94 SER 13.029 0.379 10 0 "[ . 1 . 2 ]" 1 95 CYS 3.060 0.179 3 0 "[ . 1 . 2 ]" 1 96 SER 0.001 0.001 10 0 "[ . 1 . 2 ]" 1 97 HIS 0.299 0.076 19 0 "[ . 1 . 2 ]" 1 98 ASN 0.250 0.036 3 0 "[ . 1 . 2 ]" 1 99 PHE 7.414 0.304 19 0 "[ . 1 . 2 ]" 1 100 TRP 3.746 0.151 15 0 "[ . 1 . 2 ]" 1 101 LEU 8.578 0.168 2 0 "[ . 1 . 2 ]" 1 102 ALA 3.159 0.170 5 0 "[ . 1 . 2 ]" 1 103 ILE 2.571 0.151 15 0 "[ . 1 . 2 ]" 1 104 ASP 2.737 0.150 11 0 "[ . 1 . 2 ]" 1 105 MET 1.247 0.088 2 0 "[ . 1 . 2 ]" 1 106 SER 2.538 0.169 17 0 "[ . 1 . 2 ]" 1 107 PHE 1.410 0.109 13 0 "[ . 1 . 2 ]" 1 108 GLU 0.619 0.084 3 0 "[ . 1 . 2 ]" 1 110 PRO 1.489 0.120 16 0 "[ . 1 . 2 ]" 1 111 GLU 4.016 0.252 16 0 "[ . 1 . 2 ]" 1 112 PHE 10.598 0.342 21 0 "[ . 1 . 2 ]" 1 113 GLU 17.940 0.306 7 0 "[ . 1 . 2 ]" 1 114 ILE 26.901 0.342 21 0 "[ . 1 . 2 ]" 1 115 VAL 6.164 0.276 8 0 "[ . 1 . 2 ]" 1 116 GLY 5.790 0.199 7 0 "[ . 1 . 2 ]" 1 117 PHE 0.965 0.132 18 0 "[ . 1 . 2 ]" 1 118 THR 18.629 0.306 17 0 "[ . 1 . 2 ]" 1 119 ASN 1.062 0.092 20 0 "[ . 1 . 2 ]" 1 120 HIS 4.751 0.249 9 0 "[ . 1 . 2 ]" 1 121 ILE 17.144 0.352 18 0 "[ . 1 . 2 ]" 1 122 ASN 2.817 0.163 10 0 "[ . 1 . 2 ]" 1 123 VAL 5.955 0.255 7 0 "[ . 1 . 2 ]" 1 124 MET 23.881 0.315 17 0 "[ . 1 . 2 ]" 1 125 VAL 13.760 0.198 17 0 "[ . 1 . 2 ]" 1 126 LYS 12.374 0.252 16 0 "[ . 1 . 2 ]" 1 127 PHE 13.225 0.456 14 0 "[ . 1 . 2 ]" 1 128 PRO 1.505 0.113 21 0 "[ . 1 . 2 ]" 1 129 SER 1.902 0.136 17 0 "[ . 1 . 2 ]" 1 130 ILE 2.593 0.137 20 0 "[ . 1 . 2 ]" 1 131 VAL 0.012 0.012 14 0 "[ . 1 . 2 ]" 1 132 GLU 11.607 0.273 14 0 "[ . 1 . 2 ]" 1 133 GLU 4.316 0.273 14 0 "[ . 1 . 2 ]" 1 134 GLU 0.747 0.188 14 0 "[ . 1 . 2 ]" 1 135 LEU 9.381 0.464 17 0 "[ . 1 . 2 ]" 1 136 GLN 1.151 0.129 9 0 "[ . 1 . 2 ]" 1 137 PHE 7.132 0.464 17 0 "[ . 1 . 2 ]" 1 139 LEU 10.729 0.299 18 0 "[ . 1 . 2 ]" 1 140 SER 10.878 0.375 16 0 "[ . 1 . 2 ]" 1 141 LEU 4.485 0.144 7 0 "[ . 1 . 2 ]" 1 142 VAL 10.480 0.365 1 0 "[ . 1 . 2 ]" 1 143 ILE 28.107 0.375 16 0 "[ . 1 . 2 ]" 1 144 GLU 12.994 0.264 17 0 "[ . 1 . 2 ]" 1 145 GLU 6.462 0.219 18 0 "[ . 1 . 2 ]" 1 146 GLN 8.688 0.243 18 0 "[ . 1 . 2 ]" 1 147 SER 11.945 0.213 18 0 "[ . 1 . 2 ]" 1 148 GLU 3.065 0.127 2 0 "[ . 1 . 2 ]" 1 149 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 150 ILE 5.621 0.184 1 0 "[ . 1 . 2 ]" 1 151 VAL 2.725 0.243 18 0 "[ . 1 . 2 ]" 1 152 LYS 1.787 0.111 19 0 "[ . 1 . 2 ]" 1 153 LYS 5.159 0.264 17 0 "[ . 1 . 2 ]" 1 154 HIS 3.870 0.153 2 0 "[ . 1 . 2 ]" 1 155 LYS 2.564 0.101 12 0 "[ . 1 . 2 ]" 1 156 PRO 10.590 0.266 20 0 "[ . 1 . 2 ]" 1 157 GLU 0.000 0.000 1 0 "[ . 1 . 2 ]" 1 158 ILE 19.005 0.365 1 0 "[ . 1 . 2 ]" 1 159 LYS 0.058 0.039 15 0 "[ . 1 . 2 ]" 1 160 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 161 ASN 3.627 0.289 13 0 "[ . 1 . 2 ]" 1 162 MET 8.384 0.299 18 0 "[ . 1 . 2 ]" 1 163 SER 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 164 GLY 2.810 0.456 14 0 "[ . 1 . 2 ]" 1 165 ASN 4.924 0.148 20 0 "[ . 1 . 2 ]" 1 166 PHE 5.833 0.162 14 0 "[ . 1 . 2 ]" 1 167 THR 13.607 0.315 17 0 "[ . 1 . 2 ]" 1 168 TYR 6.274 0.173 5 0 "[ . 1 . 2 ]" 1 169 ILE 6.858 0.249 9 0 "[ . 1 . 2 ]" 1 170 ILE 14.018 0.352 18 0 "[ . 1 . 2 ]" 1 171 ASP 7.312 0.342 8 0 "[ . 1 . 2 ]" 1 172 LYS 0.190 0.035 12 0 "[ . 1 . 2 ]" 1 173 LEU 2.524 0.134 18 0 "[ . 1 . 2 ]" 1 174 ILE 0.863 0.092 20 0 "[ . 1 . 2 ]" 1 175 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 176 ASN 3.649 0.168 4 0 "[ . 1 . 2 ]" 1 177 THR 13.321 0.362 13 0 "[ . 1 . 2 ]" 1 178 ASN 10.108 0.282 13 0 "[ . 1 . 2 ]" 1 179 TYR 18.356 0.299 18 0 "[ . 1 . 2 ]" 1 180 CYS 11.778 0.386 18 0 "[ . 1 . 2 ]" 1 181 VAL 9.084 0.283 13 0 "[ . 1 . 2 ]" 1 182 SER 4.527 0.183 21 0 "[ . 1 . 2 ]" 1 183 VAL 23.834 0.247 18 0 "[ . 1 . 2 ]" 1 184 TYR 14.859 0.241 22 0 "[ . 1 . 2 ]" 1 185 LEU 1.710 0.109 13 0 "[ . 1 . 2 ]" 1 186 GLU 2.392 0.133 20 0 "[ . 1 . 2 ]" 1 189 ASP 1.224 0.141 15 0 "[ . 1 . 2 ]" 1 190 GLU 2.011 0.141 15 0 "[ . 1 . 2 ]" 1 191 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 192 ALA 3.090 0.141 15 0 "[ . 1 . 2 ]" 1 193 VAL 10.791 0.486 15 0 "[ . 1 . 2 ]" 1 194 ILE 5.298 0.486 15 0 "[ . 1 . 2 ]" 1 195 LYS 6.803 0.118 13 0 "[ . 1 . 2 ]" 1 196 SER 5.934 0.161 3 0 "[ . 1 . 2 ]" 1 197 PRO 2.447 0.173 9 0 "[ . 1 . 2 ]" 1 198 LEU 20.551 0.422 10 0 "[ . 1 . 2 ]" 1 199 LYS 11.513 0.413 13 0 "[ . 1 . 2 ]" 1 200 CYS 4.202 0.422 10 0 "[ . 1 . 2 ]" 1 201 THR 6.568 0.245 6 0 "[ . 1 . 2 ]" 1 202 LEU 20.985 0.362 13 0 "[ . 1 . 2 ]" 1 203 LEU 11.100 0.389 7 0 "[ . 1 . 2 ]" 1 204 PRO 12.456 0.306 17 0 "[ . 1 . 2 ]" 1 205 PRO 16.446 0.428 20 0 "[ . 1 . 2 ]" 1 206 GLY 10.938 0.428 20 0 "[ . 1 . 2 ]" 1 207 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 209 SER 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 210 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 5 PRO QB 1 6 ASP H 4.500 . 5.850 3.083 2.202 4.004 . 0 0 "[ . 1 . 2 ]" 1 2 1 5 PRO HA 1 6 ASP H 2.800 . 3.640 2.435 2.150 3.562 . 0 0 "[ . 1 . 2 ]" 1 3 1 6 ASP HA 1 7 TYR H 2.700 . 3.510 2.528 2.140 3.544 0.034 7 0 "[ . 1 . 2 ]" 1 4 1 6 ASP QB 1 7 TYR H 4.400 . 5.720 3.214 1.952 4.032 . 0 0 "[ . 1 . 2 ]" 1 5 1 8 THR HB 1 9 ASP H 3.600 . 4.680 3.481 2.061 4.572 . 0 0 "[ . 1 . 2 ]" 1 6 1 8 THR HA 1 9 ASP H 3.200 . 4.160 2.742 2.137 3.571 . 0 0 "[ . 1 . 2 ]" 1 7 1 9 ASP HA 1 10 GLU H 2.400 . 3.120 2.452 2.137 2.949 . 0 0 "[ . 1 . 2 ]" 1 8 1 9 ASP HB2 1 10 GLU H 3.700 . 4.810 3.889 1.973 4.631 . 0 0 "[ . 1 . 2 ]" 1 9 1 9 ASP HB3 1 10 GLU H 3.700 . 4.810 3.633 1.974 4.604 . 0 0 "[ . 1 . 2 ]" 1 10 1 10 GLU HA 1 11 SER H 4.000 . 5.200 2.329 2.137 2.997 . 0 0 "[ . 1 . 2 ]" 1 11 1 11 SER HA 1 12 CYS H 2.500 . 3.250 3.165 2.446 3.427 0.177 14 0 "[ . 1 . 2 ]" 1 12 1 11 SER HB3 1 12 CYS H 3.200 . 4.160 3.730 3.282 4.308 0.148 21 0 "[ . 1 . 2 ]" 1 13 1 10 GLU QB 1 12 CYS H 3.700 . 4.810 3.495 2.497 4.769 . 0 0 "[ . 1 . 2 ]" 1 14 1 10 GLU HA 1 12 CYS H 2.900 . 3.770 3.522 3.120 3.916 0.146 22 0 "[ . 1 . 2 ]" 1 15 1 12 CYS HA 1 13 THR H 2.400 . 3.120 2.625 2.148 2.844 . 0 0 "[ . 1 . 2 ]" 1 16 1 11 SER HA 1 13 THR H 3.600 . 4.680 4.506 4.239 5.015 0.335 22 0 "[ . 1 . 2 ]" 1 17 1 12 CYS HB2 1 13 THR H 3.100 . 4.030 4.238 4.158 4.365 0.335 11 0 "[ . 1 . 2 ]" 1 18 1 12 CYS HB3 1 13 THR H 3.000 . 3.900 4.114 3.954 4.185 0.285 10 0 "[ . 1 . 2 ]" 1 19 1 12 CYS H 1 13 THR H 3.700 . 4.810 3.177 2.157 4.134 . 0 0 "[ . 1 . 2 ]" 1 20 1 13 THR H 1 28 GLU QG 4.200 . 5.460 4.753 4.550 5.088 . 0 0 "[ . 1 . 2 ]" 1 21 1 13 THR H 1 28 GLU QB 4.200 . 5.460 2.811 2.612 3.079 . 0 0 "[ . 1 . 2 ]" 1 22 1 13 THR H 1 29 LEU QD 4.600 . 5.980 3.795 2.685 4.513 . 0 0 "[ . 1 . 2 ]" 1 23 1 13 THR MG 1 14 PHE H 3.300 . 4.290 3.000 1.982 3.593 . 0 0 "[ . 1 . 2 ]" 1 24 1 13 THR HA 1 14 PHE H 2.300 . 2.990 2.165 2.126 2.357 . 0 0 "[ . 1 . 2 ]" 1 25 1 13 THR HB 1 14 PHE H 3.100 . 4.030 4.067 3.671 4.149 0.119 4 0 "[ . 1 . 2 ]" 1 26 1 14 PHE HA 1 15 LYS H 2.800 . 3.640 2.155 2.119 2.177 . 0 0 "[ . 1 . 2 ]" 1 27 1 14 PHE HB3 1 15 LYS H 3.200 . 4.160 3.626 3.519 3.797 . 0 0 "[ . 1 . 2 ]" 1 28 1 14 PHE HB2 1 15 LYS H 3.200 . 4.160 4.171 4.116 4.268 0.108 20 0 "[ . 1 . 2 ]" 1 29 1 15 LYS HA 1 16 ILE H 2.300 . 2.990 2.187 2.138 2.268 . 0 0 "[ . 1 . 2 ]" 1 30 1 15 LYS HB2 1 16 ILE H 3.300 . 4.290 4.163 4.041 4.250 . 0 0 "[ . 1 . 2 ]" 1 31 1 15 LYS HB3 1 16 ILE H 3.300 . 4.290 4.242 4.088 4.325 0.035 1 0 "[ . 1 . 2 ]" 1 32 1 17 SER H 1 25 LEU HA 2.900 . 3.770 3.157 3.076 3.266 . 0 0 "[ . 1 . 2 ]" 1 33 1 17 SER H 1 25 LEU HB2 3.900 . 5.070 5.178 5.115 5.248 0.178 22 0 "[ . 1 . 2 ]" 1 34 1 16 ILE MG 1 17 SER H 3.600 . 4.680 3.489 2.983 3.641 . 0 0 "[ . 1 . 2 ]" 1 35 1 16 ILE HA 1 17 SER H 2.400 . 3.120 2.128 2.085 2.168 . 0 0 "[ . 1 . 2 ]" 1 36 1 16 ILE HB 1 17 SER H 3.200 . 4.160 4.267 4.227 4.360 0.200 18 0 "[ . 1 . 2 ]" 1 37 1 17 SER H 1 25 LEU HB3 3.700 . 4.810 4.716 4.659 4.847 0.037 4 0 "[ . 1 . 2 ]" 1 38 1 17 SER HA 1 18 LEU H 2.500 . 3.250 2.433 2.182 2.715 . 0 0 "[ . 1 . 2 ]" 1 39 1 17 SER HB2 1 18 LEU H 3.300 . 4.290 3.819 1.985 4.394 0.104 14 0 "[ . 1 . 2 ]" 1 40 1 17 SER HB3 1 18 LEU H 3.300 . 4.290 2.811 1.978 3.523 . 0 0 "[ . 1 . 2 ]" 1 41 1 18 LEU H 1 107 PHE HA 3.000 . 3.900 3.389 3.065 3.855 . 0 0 "[ . 1 . 2 ]" 1 42 1 18 LEU H 1 108 GLU H 3.300 . 4.290 4.160 3.204 4.374 0.084 3 0 "[ . 1 . 2 ]" 1 43 1 19 ARG H 1 22 ARG QB 4.000 . 5.200 3.124 2.704 3.927 . 0 0 "[ . 1 . 2 ]" 1 44 1 18 LEU HG 1 19 ARG H 3.300 . 4.290 4.091 3.288 4.339 0.049 10 0 "[ . 1 . 2 ]" 1 45 1 18 LEU HA 1 19 ARG H 2.700 . 3.510 2.204 2.123 2.245 . 0 0 "[ . 1 . 2 ]" 1 46 1 19 ARG H 1 23 SER HA 3.100 . 4.030 4.073 4.008 4.153 0.123 5 0 "[ . 1 . 2 ]" 1 47 1 18 LEU QD 1 19 ARG H 3.700 . 4.810 3.367 3.004 3.575 . 0 0 "[ . 1 . 2 ]" 1 48 1 20 ASN HA 1 21 PHE H 2.900 . 3.770 2.649 2.510 2.801 . 0 0 "[ . 1 . 2 ]" 1 49 1 21 PHE H 1 22 ARG QB 4.400 . 5.720 4.839 4.444 4.985 . 0 0 "[ . 1 . 2 ]" 1 50 1 21 PHE QB 1 22 ARG H 4.000 . 5.200 4.041 4.012 4.062 . 0 0 "[ . 1 . 2 ]" 1 51 1 19 ARG H 1 22 ARG H 3.100 . 4.030 2.866 2.314 3.186 . 0 0 "[ . 1 . 2 ]" 1 52 1 21 PHE H 1 22 ARG H 2.900 . 3.770 2.777 2.720 2.917 . 0 0 "[ . 1 . 2 ]" 1 53 1 20 ASN HA 1 22 ARG H 3.900 . 5.070 4.489 4.429 4.554 . 0 0 "[ . 1 . 2 ]" 1 54 1 21 PHE HA 1 22 ARG H 3.000 . 3.900 2.778 2.756 2.797 . 0 0 "[ . 1 . 2 ]" 1 55 1 23 SER H 1 69 THR HB 3.800 . 4.940 4.358 3.747 4.931 . 0 0 "[ . 1 . 2 ]" 1 56 1 22 ARG HA 1 23 SER H 2.800 . 3.640 2.255 2.238 2.294 . 0 0 "[ . 1 . 2 ]" 1 57 1 23 SER H 1 69 THR MG 3.800 . 4.940 3.489 3.064 4.503 . 0 0 "[ . 1 . 2 ]" 1 58 1 23 SER H 1 68 LEU QB 4.200 . 5.460 4.850 4.705 4.922 . 0 0 "[ . 1 . 2 ]" 1 59 1 23 SER H 1 68 LEU HG 3.800 . 4.940 4.111 4.047 4.279 . 0 0 "[ . 1 . 2 ]" 1 60 1 17 SER H 1 24 ILE H 3.700 . 4.810 2.914 2.672 3.246 . 0 0 "[ . 1 . 2 ]" 1 61 1 18 LEU HA 1 24 ILE H 3.200 . 4.160 3.718 3.597 3.805 . 0 0 "[ . 1 . 2 ]" 1 62 1 23 SER HA 1 24 ILE H 2.500 . 3.250 2.157 2.135 2.199 . 0 0 "[ . 1 . 2 ]" 1 63 1 23 SER HB2 1 24 ILE H 3.600 . 4.680 4.256 4.206 4.333 . 0 0 "[ . 1 . 2 ]" 1 64 1 23 SER HB3 1 24 ILE H 3.800 . 4.940 3.692 3.609 3.815 . 0 0 "[ . 1 . 2 ]" 1 65 1 25 LEU H 1 67 ASP HA 3.600 . 4.680 3.184 2.977 3.346 . 0 0 "[ . 1 . 2 ]" 1 66 1 24 ILE HA 1 25 LEU H 2.700 . 3.510 2.169 2.146 2.209 . 0 0 "[ . 1 . 2 ]" 1 67 1 24 ILE MG 1 25 LEU H 3.200 . 4.160 3.041 2.682 3.211 . 0 0 "[ . 1 . 2 ]" 1 68 1 15 LYS H 1 26 SER H 3.200 . 4.160 3.027 2.823 3.286 . 0 0 "[ . 1 . 2 ]" 1 69 1 16 ILE HA 1 26 SER H 3.200 . 4.160 3.056 2.962 3.260 . 0 0 "[ . 1 . 2 ]" 1 70 1 25 LEU HA 1 26 SER H 2.500 . 3.250 2.116 2.057 2.157 . 0 0 "[ . 1 . 2 ]" 1 71 1 25 LEU HB3 1 26 SER H 3.400 . 4.420 4.078 4.022 4.213 . 0 0 "[ . 1 . 2 ]" 1 72 1 25 LEU HB2 1 26 SER H 3.400 . 4.420 2.964 2.867 3.155 . 0 0 "[ . 1 . 2 ]" 1 73 1 16 ILE HB 1 26 SER H 3.800 . 4.940 4.552 4.302 5.126 0.186 18 0 "[ . 1 . 2 ]" 1 74 1 25 LEU QD 1 26 SER H 3.100 . 4.030 3.384 3.117 3.764 . 0 0 "[ . 1 . 2 ]" 1 75 1 16 ILE MD 1 26 SER H 3.800 . 4.940 5.027 3.875 5.162 0.222 8 0 "[ . 1 . 2 ]" 1 76 1 25 LEU HG 1 26 SER H 3.900 . 5.070 4.331 3.748 4.507 . 0 0 "[ . 1 . 2 ]" 1 77 1 26 SER HA 1 27 TRP H 2.400 . 3.120 2.579 2.489 2.643 . 0 0 "[ . 1 . 2 ]" 1 78 1 26 SER HB2 1 27 TRP H 2.900 . 3.770 2.324 2.159 2.714 . 0 0 "[ . 1 . 2 ]" 1 79 1 26 SER HB3 1 27 TRP H 2.700 . 3.510 3.682 3.635 3.758 0.248 13 0 "[ . 1 . 2 ]" 1 80 1 27 TRP H 1 65 PHE HA 3.000 . 3.900 3.170 2.905 3.432 . 0 0 "[ . 1 . 2 ]" 1 81 1 27 TRP HE1 1 39 TYR QD 2.800 . 3.640 2.965 2.530 3.378 . 0 0 "[ . 1 . 2 ]" 1 82 1 27 TRP HE1 1 39 TYR QE 2.800 . 3.640 2.659 2.003 2.885 . 0 0 "[ . 1 . 2 ]" 1 83 1 27 TRP HE1 1 83 LEU QD 3.900 . 5.070 3.729 3.259 3.837 . 0 0 "[ . 1 . 2 ]" 1 84 1 27 TRP HE1 1 64 SER HA 2.500 . 3.250 2.315 2.192 2.521 . 0 0 "[ . 1 . 2 ]" 1 85 1 27 TRP HE1 1 64 SER QB 3.000 . 3.900 2.478 2.361 2.570 . 0 0 "[ . 1 . 2 ]" 1 86 1 13 THR HB 1 28 GLU H 3.400 . 4.420 3.407 3.015 3.687 . 0 0 "[ . 1 . 2 ]" 1 87 1 27 TRP HD1 1 28 GLU H 3.700 . 4.810 3.778 3.364 3.979 . 0 0 "[ . 1 . 2 ]" 1 88 1 27 TRP HA 1 28 GLU H 2.400 . 3.120 2.267 2.207 2.351 . 0 0 "[ . 1 . 2 ]" 1 89 1 14 PHE HA 1 28 GLU H 3.600 . 4.680 3.445 3.315 3.580 . 0 0 "[ . 1 . 2 ]" 1 90 1 12 CYS HA 1 28 GLU H 3.400 . 4.420 3.927 3.353 4.443 0.023 13 0 "[ . 1 . 2 ]" 1 91 1 27 TRP HB3 1 28 GLU H 2.900 . 3.770 3.741 3.627 3.805 0.035 20 0 "[ . 1 . 2 ]" 1 92 1 27 TRP HB2 1 28 GLU H 2.800 . 3.640 2.510 2.323 2.619 . 0 0 "[ . 1 . 2 ]" 1 93 1 13 THR MG 1 28 GLU H 4.500 . 5.850 4.549 3.879 4.735 . 0 0 "[ . 1 . 2 ]" 1 94 1 13 THR H 1 28 GLU H 3.100 . 4.030 2.698 2.375 2.847 . 0 0 "[ . 1 . 2 ]" 1 95 1 28 GLU QG 1 29 LEU H 3.600 . 4.680 4.362 4.134 4.565 . 0 0 "[ . 1 . 2 ]" 1 96 1 28 GLU H 1 29 LEU H 3.800 . 4.940 3.553 3.294 3.682 . 0 0 "[ . 1 . 2 ]" 1 97 1 28 GLU HA 1 29 LEU H 2.300 . 2.990 2.254 2.182 2.366 . 0 0 "[ . 1 . 2 ]" 1 98 1 28 GLU QB 1 29 LEU H 3.300 . 4.290 3.915 3.887 3.950 . 0 0 "[ . 1 . 2 ]" 1 99 1 28 GLU HA 1 30 LYS H 3.600 . 4.680 5.094 5.039 5.130 0.450 14 0 "[ . 1 . 2 ]" 1 100 1 29 LEU MD1 1 30 LYS H 3.900 . 5.070 4.959 4.431 5.288 0.218 22 0 "[ . 1 . 2 ]" 1 101 1 29 LEU MD2 1 30 LYS H 3.700 . 4.810 4.627 4.213 4.966 0.156 10 0 "[ . 1 . 2 ]" 1 102 1 30 LYS HA 1 31 ASN H 4.000 . 5.200 2.348 2.219 2.485 . 0 0 "[ . 1 . 2 ]" 1 103 1 33 SER HA 1 34 ILE H 3.100 . 4.030 3.497 2.165 3.570 . 0 0 "[ . 1 . 2 ]" 1 104 1 33 SER HB3 1 34 ILE H 3.200 . 4.160 2.919 1.996 4.070 . 0 0 "[ . 1 . 2 ]" 1 105 1 34 ILE HA 1 35 VAL H 2.500 . 3.250 2.224 2.139 2.292 . 0 0 "[ . 1 . 2 ]" 1 106 1 34 ILE HB 1 35 VAL H 3.400 . 4.420 3.660 2.714 4.412 . 0 0 "[ . 1 . 2 ]" 1 107 1 34 ILE QG 1 35 VAL H 4.100 . 5.330 3.949 2.030 4.862 . 0 0 "[ . 1 . 2 ]" 1 108 1 36 PRO HA 1 37 THR H 2.900 . 3.770 2.345 2.172 2.529 . 0 0 "[ . 1 . 2 ]" 1 109 1 36 PRO QD 1 37 THR H 3.800 . 4.940 4.944 4.722 5.004 0.064 13 0 "[ . 1 . 2 ]" 1 110 1 36 PRO QB 1 37 THR H 4.000 . 5.200 2.768 2.305 3.507 . 0 0 "[ . 1 . 2 ]" 1 111 1 37 THR HA 1 38 HIS H 3.300 . 4.290 3.564 3.303 3.604 . 0 0 "[ . 1 . 2 ]" 1 112 1 38 HIS H 1 86 PHE QB 4.200 . 5.460 5.297 4.125 5.493 0.033 21 0 "[ . 1 . 2 ]" 1 113 1 37 THR H 1 38 HIS H 2.500 . 3.250 2.353 2.215 3.558 0.308 20 0 "[ . 1 . 2 ]" 1 114 1 37 THR HB 1 38 HIS H 2.800 . 3.640 3.670 3.278 3.694 0.054 15 0 "[ . 1 . 2 ]" 1 115 1 37 THR MG 1 38 HIS H 3.900 . 5.070 1.757 1.697 1.793 0.103 9 0 "[ . 1 . 2 ]" 1 116 1 38 HIS H 1 62 THR HA 3.400 . 4.420 4.179 4.059 4.299 . 0 0 "[ . 1 . 2 ]" 1 117 1 38 HIS H 1 62 THR HB 3.400 . 4.420 4.187 4.050 4.392 . 0 0 "[ . 1 . 2 ]" 1 118 1 38 HIS H 1 62 THR MG 3.300 . 4.290 3.732 3.078 4.104 . 0 0 "[ . 1 . 2 ]" 1 119 1 38 HIS HA 1 39 TYR H 2.700 . 3.510 2.207 2.147 2.251 . 0 0 "[ . 1 . 2 ]" 1 120 1 39 TYR H 1 60 ASN HA 3.700 . 4.810 3.075 2.892 3.317 . 0 0 "[ . 1 . 2 ]" 1 121 1 38 HIS HB3 1 39 TYR H 3.000 . 3.900 4.024 3.973 4.078 0.178 9 0 "[ . 1 . 2 ]" 1 122 1 38 HIS HB2 1 39 TYR H 3.000 . 3.900 2.818 2.751 2.960 . 0 0 "[ . 1 . 2 ]" 1 123 1 39 TYR HA 1 40 THR H 2.700 . 3.510 2.536 2.506 2.575 . 0 0 "[ . 1 . 2 ]" 1 124 1 39 TYR HB2 1 40 THR H 3.200 . 4.160 3.316 3.155 3.420 . 0 0 "[ . 1 . 2 ]" 1 125 1 39 TYR HB3 1 40 THR H 3.200 . 4.160 2.267 2.210 2.365 . 0 0 "[ . 1 . 2 ]" 1 126 1 40 THR H 1 83 LEU QD 3.900 . 5.070 2.312 2.102 2.661 . 0 0 "[ . 1 . 2 ]" 1 127 1 40 THR H 1 84 GLU QB 4.000 . 5.200 4.256 3.961 4.432 . 0 0 "[ . 1 . 2 ]" 1 128 1 40 THR HA 1 41 LEU H 2.700 . 3.510 2.170 2.133 2.210 . 0 0 "[ . 1 . 2 ]" 1 129 1 40 THR HB 1 41 LEU H 3.400 . 4.420 4.509 4.456 4.583 0.163 6 0 "[ . 1 . 2 ]" 1 130 1 40 THR MG 1 41 LEU H 3.500 . 4.550 3.420 3.163 3.500 . 0 0 "[ . 1 . 2 ]" 1 131 1 41 LEU H 1 58 CYS HB3 4.000 . 5.200 2.937 2.612 3.196 . 0 0 "[ . 1 . 2 ]" 1 132 1 41 LEU H 1 58 CYS HB2 4.000 . 5.200 3.518 3.081 4.058 . 0 0 "[ . 1 . 2 ]" 1 133 1 41 LEU H 1 59 ALA HA 3.700 . 4.810 3.252 3.138 3.375 . 0 0 "[ . 1 . 2 ]" 1 134 1 41 LEU HB2 1 42 LEU H 3.800 . 4.940 4.560 4.493 4.606 . 0 0 "[ . 1 . 2 ]" 1 135 1 42 LEU H 1 81 THR MG 3.900 . 5.070 3.890 3.579 5.175 0.105 14 0 "[ . 1 . 2 ]" 1 136 1 41 LEU HA 1 42 LEU H 2.700 . 3.510 2.169 2.128 2.189 . 0 0 "[ . 1 . 2 ]" 1 137 1 42 LEU H 1 83 LEU HA 3.600 . 4.680 2.139 2.020 2.219 . 0 0 "[ . 1 . 2 ]" 1 138 1 42 LEU H 1 82 VAL HB 3.400 . 4.420 4.465 4.428 4.497 0.077 12 0 "[ . 1 . 2 ]" 1 139 1 41 LEU QB 1 42 LEU H 4.000 . 5.200 3.889 3.828 3.916 . 0 0 "[ . 1 . 2 ]" 1 140 1 42 LEU H 1 83 LEU HG 3.700 . 4.810 5.181 5.123 5.223 0.413 12 0 "[ . 1 . 2 ]" 1 141 1 43 TYR H 1 54 VAL HA 3.700 . 4.810 3.785 3.463 3.966 . 0 0 "[ . 1 . 2 ]" 1 142 1 43 TYR H 1 54 VAL QG 3.600 . 4.680 4.769 4.714 4.904 0.224 22 0 "[ . 1 . 2 ]" 1 143 1 42 LEU QD 1 43 TYR H 3.400 . 4.420 3.916 2.331 4.089 . 0 0 "[ . 1 . 2 ]" 1 144 1 42 LEU HA 1 43 TYR H 2.700 . 3.510 2.270 2.247 2.310 . 0 0 "[ . 1 . 2 ]" 1 145 1 42 LEU QB 1 43 TYR H 3.000 . 3.900 2.992 2.871 3.451 . 0 0 "[ . 1 . 2 ]" 1 146 1 43 TYR H 1 81 THR MG 3.600 . 4.680 3.886 3.580 4.711 0.031 14 0 "[ . 1 . 2 ]" 1 147 1 43 TYR HA 1 44 THR H 2.800 . 3.640 2.284 2.218 2.326 . 0 0 "[ . 1 . 2 ]" 1 148 1 44 THR H 1 81 THR HA 3.400 . 4.420 2.698 2.528 2.996 . 0 0 "[ . 1 . 2 ]" 1 149 1 43 TYR HB3 1 44 THR H 3.200 . 4.160 3.989 3.950 4.059 . 0 0 "[ . 1 . 2 ]" 1 150 1 43 TYR HB2 1 44 THR H 3.100 . 4.030 2.685 2.620 2.827 . 0 0 "[ . 1 . 2 ]" 1 151 1 44 THR H 1 79 TYR HA 3.900 . 5.070 4.532 4.282 4.776 . 0 0 "[ . 1 . 2 ]" 1 152 1 44 THR H 1 80 VAL HB 3.300 . 4.290 4.424 4.309 4.490 0.200 8 0 "[ . 1 . 2 ]" 1 153 1 44 THR H 1 80 VAL QG 3.800 . 4.940 3.174 3.046 3.413 . 0 0 "[ . 1 . 2 ]" 1 154 1 44 THR HB 1 45 ILE H 3.300 . 4.290 3.517 3.469 3.594 . 0 0 "[ . 1 . 2 ]" 1 155 1 44 THR MG 1 45 ILE H 3.000 . 3.900 3.143 2.835 3.330 . 0 0 "[ . 1 . 2 ]" 1 156 1 44 THR HA 1 45 ILE H 2.700 . 3.510 2.605 2.509 2.669 . 0 0 "[ . 1 . 2 ]" 1 157 1 45 ILE H 1 52 LEU HG 3.800 . 4.940 5.071 5.009 5.126 0.186 14 0 "[ . 1 . 2 ]" 1 158 1 45 ILE HA 1 46 MET H 2.700 . 3.510 2.109 2.084 2.122 . 0 0 "[ . 1 . 2 ]" 1 159 1 45 ILE MG 1 46 MET H 3.400 . 4.420 3.094 2.873 3.337 . 0 0 "[ . 1 . 2 ]" 1 160 1 46 MET H 1 78 ALA MB 3.700 . 4.810 3.438 3.290 3.633 . 0 0 "[ . 1 . 2 ]" 1 161 1 46 MET H 1 47 SER H 3.800 . 4.940 3.188 3.155 3.229 . 0 0 "[ . 1 . 2 ]" 1 162 1 45 ILE MG 1 47 SER H 4.100 . 5.330 3.939 3.713 4.171 . 0 0 "[ . 1 . 2 ]" 1 163 1 46 MET HB3 1 47 SER H 3.900 . 5.070 3.436 2.789 4.111 . 0 0 "[ . 1 . 2 ]" 1 164 1 46 MET HB2 1 47 SER H 3.800 . 4.940 3.758 3.222 4.200 . 0 0 "[ . 1 . 2 ]" 1 165 1 44 THR MG 1 47 SER H 4.800 . 6.240 6.091 5.785 6.285 0.045 12 0 "[ . 1 . 2 ]" 1 166 1 47 SER QB 1 48 LYS H 3.900 . 5.070 3.097 2.800 3.685 . 0 0 "[ . 1 . 2 ]" 1 167 1 47 SER H 1 48 LYS H 3.000 . 3.900 2.614 2.590 2.649 . 0 0 "[ . 1 . 2 ]" 1 168 1 47 SER HA 1 48 LYS H 3.100 . 4.030 3.452 3.390 3.479 . 0 0 "[ . 1 . 2 ]" 1 169 1 46 MET HA 1 48 LYS H 3.300 . 4.290 4.042 3.741 4.187 . 0 0 "[ . 1 . 2 ]" 1 170 1 48 LYS H 1 49 PRO HD2 3.100 . 4.030 4.093 4.048 4.151 0.121 19 0 "[ . 1 . 2 ]" 1 171 1 48 LYS H 1 49 PRO HD3 3.200 . 4.160 2.984 2.638 3.650 . 0 0 "[ . 1 . 2 ]" 1 172 1 45 ILE MD 1 48 LYS H 3.200 . 4.160 3.500 2.758 3.994 . 0 0 "[ . 1 . 2 ]" 1 173 1 48 LYS HA 1 50 GLU H 3.300 . 4.290 3.153 3.101 3.381 . 0 0 "[ . 1 . 2 ]" 1 174 1 49 PRO HA 1 50 GLU H 2.400 . 3.120 3.355 3.329 3.393 0.273 13 0 "[ . 1 . 2 ]" 1 175 1 49 PRO HD2 1 50 GLU H 3.400 . 4.420 2.803 2.640 3.271 . 0 0 "[ . 1 . 2 ]" 1 176 1 49 PRO HD3 1 50 GLU H 3.300 . 4.290 3.883 3.778 4.175 . 0 0 "[ . 1 . 2 ]" 1 177 1 49 PRO QB 1 50 GLU H 3.300 . 4.290 3.370 3.104 3.587 . 0 0 "[ . 1 . 2 ]" 1 178 1 44 THR MG 1 50 GLU H 3.800 . 4.940 4.609 3.760 4.778 . 0 0 "[ . 1 . 2 ]" 1 179 1 44 THR MG 1 51 ASP H 3.600 . 4.680 3.985 3.628 4.778 0.098 13 0 "[ . 1 . 2 ]" 1 180 1 50 GLU H 1 51 ASP H 2.500 . 3.250 2.530 2.449 3.396 0.146 13 0 "[ . 1 . 2 ]" 1 181 1 50 GLU HA 1 51 ASP H 2.700 . 3.510 3.288 3.263 3.410 . 0 0 "[ . 1 . 2 ]" 1 182 1 50 GLU HB2 1 51 ASP H 2.900 . 3.770 3.792 3.320 3.833 0.063 20 0 "[ . 1 . 2 ]" 1 183 1 50 GLU HB3 1 51 ASP H 2.900 . 3.770 3.727 1.875 3.832 0.062 20 0 "[ . 1 . 2 ]" 1 184 1 51 ASP H 1 52 LEU H 3.000 . 3.900 3.302 3.218 3.382 . 0 0 "[ . 1 . 2 ]" 1 185 1 44 THR HB 1 52 LEU H 3.300 . 4.290 3.352 3.126 3.499 . 0 0 "[ . 1 . 2 ]" 1 186 1 44 THR MG 1 52 LEU H 3.700 . 4.810 4.191 4.019 4.337 . 0 0 "[ . 1 . 2 ]" 1 187 1 51 ASP HA 1 52 LEU H 2.200 . 2.860 2.601 2.552 2.731 . 0 0 "[ . 1 . 2 ]" 1 188 1 50 GLU HA 1 52 LEU H 3.400 . 4.420 3.998 3.691 4.096 . 0 0 "[ . 1 . 2 ]" 1 189 1 51 ASP HB2 1 52 LEU H 5.000 . 6.500 4.652 4.638 4.671 . 0 0 "[ . 1 . 2 ]" 1 190 1 51 ASP HB3 1 52 LEU H 3.400 . 4.420 4.336 4.285 4.370 . 0 0 "[ . 1 . 2 ]" 1 191 1 52 LEU H 1 53 LYS H 3.700 . 4.810 4.578 4.302 4.630 . 0 0 "[ . 1 . 2 ]" 1 192 1 43 TYR H 1 53 LYS H 2.900 . 3.770 2.316 2.052 3.272 . 0 0 "[ . 1 . 2 ]" 1 193 1 44 THR HA 1 53 LYS H 3.400 . 4.420 4.043 3.499 4.335 . 0 0 "[ . 1 . 2 ]" 1 194 1 44 THR HB 1 53 LYS H 3.100 . 4.030 3.864 3.516 4.035 0.005 22 0 "[ . 1 . 2 ]" 1 195 1 52 LEU HA 1 53 LYS H 2.400 . 3.120 2.232 2.107 2.290 . 0 0 "[ . 1 . 2 ]" 1 196 1 44 THR MG 1 53 LYS H 3.900 . 5.070 4.789 4.717 4.929 . 0 0 "[ . 1 . 2 ]" 1 197 1 53 LYS HA 1 54 VAL H 2.400 . 3.120 2.132 2.100 2.186 . 0 0 "[ . 1 . 2 ]" 1 198 1 53 LYS QG 1 54 VAL H 3.600 . 4.680 3.100 2.932 4.170 . 0 0 "[ . 1 . 2 ]" 1 199 1 54 VAL MG2 1 55 VAL H 3.400 . 4.420 3.630 3.366 3.730 . 0 0 "[ . 1 . 2 ]" 1 200 1 42 LEU HA 1 55 VAL H 3.100 . 4.030 3.099 2.796 3.199 . 0 0 "[ . 1 . 2 ]" 1 201 1 54 VAL HA 1 55 VAL H 2.500 . 3.250 2.204 2.175 2.383 . 0 0 "[ . 1 . 2 ]" 1 202 1 42 LEU QB 1 55 VAL H 3.800 . 4.940 4.889 4.823 4.937 . 0 0 "[ . 1 . 2 ]" 1 203 1 42 LEU QD 1 55 VAL H 4.000 . 5.200 4.158 3.065 4.541 . 0 0 "[ . 1 . 2 ]" 1 204 1 57 ASN HA 1 58 CYS H 3.200 . 4.160 3.239 2.121 3.490 . 0 0 "[ . 1 . 2 ]" 1 205 1 57 ASN HB3 1 58 CYS H 2.800 . 3.640 3.565 2.855 3.745 0.105 19 0 "[ . 1 . 2 ]" 1 206 1 58 CYS H 1 59 ALA MB 3.000 . 3.900 3.567 3.389 3.833 . 0 0 "[ . 1 . 2 ]" 1 207 1 40 THR HA 1 59 ALA H 3.900 . 5.070 4.222 4.162 4.315 . 0 0 "[ . 1 . 2 ]" 1 208 1 59 ALA H 1 61 THR HB 4.400 . 5.720 3.657 3.538 3.893 . 0 0 "[ . 1 . 2 ]" 1 209 1 58 CYS H 1 59 ALA H 2.400 . 3.120 2.090 1.728 2.603 0.072 19 0 "[ . 1 . 2 ]" 1 210 1 58 CYS HA 1 59 ALA H 2.900 . 3.770 3.208 2.939 3.334 . 0 0 "[ . 1 . 2 ]" 1 211 1 57 ASN QB 1 59 ALA H 4.000 . 5.200 4.883 4.574 5.041 . 0 0 "[ . 1 . 2 ]" 1 212 1 59 ALA MB 1 60 ASN H 3.300 . 4.290 2.754 2.549 2.812 . 0 0 "[ . 1 . 2 ]" 1 213 1 59 ALA H 1 60 ASN H 3.800 . 4.940 4.573 4.551 4.588 . 0 0 "[ . 1 . 2 ]" 1 214 1 40 THR HA 1 60 ASN H 3.300 . 4.290 2.947 2.811 3.177 . 0 0 "[ . 1 . 2 ]" 1 215 1 59 ALA HA 1 60 ASN H 2.900 . 3.770 2.411 2.379 2.452 . 0 0 "[ . 1 . 2 ]" 1 216 1 61 THR H 1 63 ARG QB 4.000 . 5.200 5.414 5.391 5.430 0.230 10 0 "[ . 1 . 2 ]" 1 217 1 39 TYR H 1 61 THR H 3.000 . 3.900 1.819 1.769 1.984 0.031 11 0 "[ . 1 . 2 ]" 1 218 1 40 THR HA 1 61 THR H 3.700 . 4.810 4.136 3.949 4.262 . 0 0 "[ . 1 . 2 ]" 1 219 1 38 HIS HB2 1 61 THR H 3.800 . 4.940 2.646 2.502 2.846 . 0 0 "[ . 1 . 2 ]" 1 220 1 60 ASN QB 1 61 THR H 4.400 . 5.720 3.871 3.782 3.989 . 0 0 "[ . 1 . 2 ]" 1 221 1 38 HIS HB3 1 61 THR H 3.600 . 4.680 4.263 4.101 4.512 . 0 0 "[ . 1 . 2 ]" 1 222 1 60 ASN H 1 61 THR H 3.200 . 4.160 3.521 3.498 3.553 . 0 0 "[ . 1 . 2 ]" 1 223 1 61 THR HA 1 62 THR H 2.900 . 3.770 2.222 2.199 2.253 . 0 0 "[ . 1 . 2 ]" 1 224 1 61 THR MG 1 62 THR H 4.200 . 5.460 3.964 3.873 4.028 . 0 0 "[ . 1 . 2 ]" 1 225 1 62 THR H 1 63 ARG H 3.000 . 3.900 3.232 3.204 3.280 . 0 0 "[ . 1 . 2 ]" 1 226 1 61 THR HA 1 63 ARG H 3.200 . 4.160 4.198 4.170 4.269 0.109 9 0 "[ . 1 . 2 ]" 1 227 1 62 THR HB 1 63 ARG H 3.000 . 3.900 4.231 4.193 4.252 0.352 3 0 "[ . 1 . 2 ]" 1 228 1 63 ARG HA 1 64 SER H 2.700 . 3.510 2.682 2.616 2.770 . 0 0 "[ . 1 . 2 ]" 1 229 1 63 ARG QG 1 64 SER H 3.000 . 3.900 3.552 3.136 3.918 0.018 12 0 "[ . 1 . 2 ]" 1 230 1 63 ARG QB 1 64 SER H 3.700 . 4.810 2.330 2.187 2.471 . 0 0 "[ . 1 . 2 ]" 1 231 1 64 SER H 1 65 PHE H 3.400 . 4.420 2.643 2.376 2.760 . 0 0 "[ . 1 . 2 ]" 1 232 1 64 SER HA 1 65 PHE H 3.000 . 3.900 3.576 3.562 3.596 . 0 0 "[ . 1 . 2 ]" 1 233 1 64 SER QB 1 65 PHE H 4.200 . 5.460 3.018 2.881 3.182 . 0 0 "[ . 1 . 2 ]" 1 234 1 65 PHE QB 1 66 CYS H 3.600 . 4.680 3.230 2.412 3.445 . 0 0 "[ . 1 . 2 ]" 1 235 1 25 LEU H 1 66 CYS H 4.000 . 5.200 4.379 3.988 4.574 . 0 0 "[ . 1 . 2 ]" 1 236 1 65 PHE HA 1 66 CYS H 2.900 . 3.770 2.106 2.070 2.310 . 0 0 "[ . 1 . 2 ]" 1 237 1 26 SER HA 1 66 CYS H 3.700 . 4.810 2.498 2.111 2.821 . 0 0 "[ . 1 . 2 ]" 1 238 1 66 CYS HA 1 67 ASP H 2.500 . 3.250 2.296 2.214 2.421 . 0 0 "[ . 1 . 2 ]" 1 239 1 58 CYS QB 1 67 ASP H 4.200 . 5.460 5.090 4.835 5.513 0.053 6 0 "[ . 1 . 2 ]" 1 240 1 67 ASP HA 1 68 LEU H 2.800 . 3.640 2.394 2.340 2.441 . 0 0 "[ . 1 . 2 ]" 1 241 1 67 ASP HB2 1 68 LEU H 3.900 . 5.070 2.400 2.213 3.200 . 0 0 "[ . 1 . 2 ]" 1 242 1 24 ILE HA 1 68 LEU H 3.600 . 4.680 2.626 2.574 2.728 . 0 0 "[ . 1 . 2 ]" 1 243 1 68 LEU HG 1 69 THR H 4.200 . 5.460 4.698 4.666 4.751 . 0 0 "[ . 1 . 2 ]" 1 244 1 68 LEU HA 1 69 THR H 3.400 . 4.420 2.327 2.296 2.369 . 0 0 "[ . 1 . 2 ]" 1 245 1 68 LEU H 1 69 THR H 3.000 . 3.900 3.303 3.149 3.412 . 0 0 "[ . 1 . 2 ]" 1 246 1 69 THR HB 1 70 ASP H 2.900 . 3.770 3.089 2.322 3.805 0.035 2 0 "[ . 1 . 2 ]" 1 247 1 69 THR HA 1 70 ASP H 3.600 . 4.680 3.548 3.530 3.569 . 0 0 "[ . 1 . 2 ]" 1 248 1 69 THR MG 1 70 ASP H 3.700 . 4.810 3.407 1.944 3.777 . 0 0 "[ . 1 . 2 ]" 1 249 1 69 THR H 1 70 ASP H 3.300 . 4.290 2.419 2.349 2.519 . 0 0 "[ . 1 . 2 ]" 1 250 1 70 ASP H 1 71 GLU H 2.800 . 3.640 2.261 2.069 2.419 . 0 0 "[ . 1 . 2 ]" 1 251 1 70 ASP HA 1 71 GLU H 3.100 . 4.030 3.177 3.102 3.272 . 0 0 "[ . 1 . 2 ]" 1 252 1 68 LEU HA 1 71 GLU H 3.500 . 4.550 3.293 3.012 3.603 . 0 0 "[ . 1 . 2 ]" 1 253 1 70 ASP HB3 1 71 GLU H 3.700 . 4.810 4.113 3.726 4.533 . 0 0 "[ . 1 . 2 ]" 1 254 1 70 ASP HB2 1 71 GLU H 3.800 . 4.940 4.075 3.624 4.445 . 0 0 "[ . 1 . 2 ]" 1 255 1 71 GLU H 1 72 TRP H 2.700 . 3.510 2.321 2.221 2.450 . 0 0 "[ . 1 . 2 ]" 1 256 1 71 GLU HA 1 72 TRP H 3.100 . 4.030 3.466 3.431 3.498 . 0 0 "[ . 1 . 2 ]" 1 257 1 68 LEU QB 1 72 TRP H 3.700 . 4.810 2.994 2.627 3.297 . 0 0 "[ . 1 . 2 ]" 1 258 1 71 GLU QG 1 72 TRP H 3.700 . 4.810 4.651 4.489 4.785 . 0 0 "[ . 1 . 2 ]" 1 259 1 71 GLU HB2 1 72 TRP H 3.000 . 3.900 3.251 3.030 3.399 . 0 0 "[ . 1 . 2 ]" 1 260 1 71 GLU HB3 1 72 TRP H 3.000 . 3.900 3.650 3.427 3.852 . 0 0 "[ . 1 . 2 ]" 1 261 1 72 TRP HE1 1 79 TYR QD 3.400 . 4.420 3.091 2.771 3.815 . 0 0 "[ . 1 . 2 ]" 1 262 1 43 TYR HA 1 72 TRP HE1 3.400 . 4.420 4.633 4.577 4.750 0.330 18 0 "[ . 1 . 2 ]" 1 263 1 43 TYR HB3 1 72 TRP HE1 3.400 . 4.420 2.770 2.355 3.149 . 0 0 "[ . 1 . 2 ]" 1 264 1 43 TYR HB2 1 72 TRP HE1 3.400 . 4.420 2.467 2.342 2.649 . 0 0 "[ . 1 . 2 ]" 1 265 1 43 TYR QD 1 72 TRP HE1 3.100 . 4.030 2.645 2.548 2.748 . 0 0 "[ . 1 . 2 ]" 1 266 1 43 TYR QE 1 72 TRP HE1 3.300 . 4.290 3.562 3.233 3.833 . 0 0 "[ . 1 . 2 ]" 1 267 1 72 TRP HA 1 73 ARG H 2.800 . 3.640 2.570 2.431 2.755 . 0 0 "[ . 1 . 2 ]" 1 268 1 73 ARG H 1 74 SER H 3.800 . 4.940 3.066 2.596 4.440 . 0 0 "[ . 1 . 2 ]" 1 269 1 73 ARG HA 1 74 SER H 4.100 . 5.330 3.190 2.851 3.389 . 0 0 "[ . 1 . 2 ]" 1 270 1 76 HIS HB3 1 77 GLU H 3.700 . 4.810 4.115 3.160 4.641 . 0 0 "[ . 1 . 2 ]" 1 271 1 74 SER HB3 1 77 GLU H 3.600 . 4.680 3.971 3.601 4.496 . 0 0 "[ . 1 . 2 ]" 1 272 1 76 HIS HB2 1 77 GLU H 3.800 . 4.940 4.033 3.245 4.528 . 0 0 "[ . 1 . 2 ]" 1 273 1 46 MET H 1 78 ALA H 3.200 . 4.160 3.677 3.552 3.907 . 0 0 "[ . 1 . 2 ]" 1 274 1 77 GLU H 1 78 ALA H 3.300 . 4.290 4.406 4.365 4.453 0.163 17 0 "[ . 1 . 2 ]" 1 275 1 77 GLU HA 1 78 ALA H 2.200 . 2.860 2.391 2.292 2.454 . 0 0 "[ . 1 . 2 ]" 1 276 1 77 GLU QG 1 78 ALA H 3.200 . 4.160 3.940 3.820 4.077 . 0 0 "[ . 1 . 2 ]" 1 277 1 77 GLU HB2 1 78 ALA H 3.800 . 4.940 3.629 3.502 3.895 . 0 0 "[ . 1 . 2 ]" 1 278 1 77 GLU HB3 1 78 ALA H 3.800 . 4.940 2.258 2.093 2.559 . 0 0 "[ . 1 . 2 ]" 1 279 1 79 TYR H 1 100 TRP HA 3.300 . 4.290 4.141 3.966 4.296 0.006 16 0 "[ . 1 . 2 ]" 1 280 1 78 ALA HA 1 79 TYR H 2.400 . 3.120 2.220 2.181 2.266 . 0 0 "[ . 1 . 2 ]" 1 281 1 78 ALA MB 1 79 TYR H 3.200 . 4.160 3.562 3.498 3.623 . 0 0 "[ . 1 . 2 ]" 1 282 1 44 THR H 1 80 VAL H 3.300 . 4.290 4.055 3.859 4.167 . 0 0 "[ . 1 . 2 ]" 1 283 1 79 TYR H 1 80 VAL H 3.600 . 4.680 4.161 4.108 4.201 . 0 0 "[ . 1 . 2 ]" 1 284 1 79 TYR HA 1 80 VAL H 2.700 . 3.510 2.216 2.191 2.259 . 0 0 "[ . 1 . 2 ]" 1 285 1 79 TYR QD 1 80 VAL H 3.900 . 5.070 4.218 3.705 4.568 . 0 0 "[ . 1 . 2 ]" 1 286 1 45 ILE HA 1 80 VAL H 3.300 . 4.290 2.406 2.238 2.569 . 0 0 "[ . 1 . 2 ]" 1 287 1 81 THR H 1 98 ASN QB 4.400 . 5.720 5.154 4.836 5.503 . 0 0 "[ . 1 . 2 ]" 1 288 1 81 THR H 1 98 ASN HA 3.100 . 4.030 3.479 3.196 3.608 . 0 0 "[ . 1 . 2 ]" 1 289 1 81 THR H 1 97 HIS QB 3.300 . 4.290 3.949 3.594 4.221 . 0 0 "[ . 1 . 2 ]" 1 290 1 80 VAL HB 1 81 THR H 3.600 . 4.680 3.217 2.932 3.424 . 0 0 "[ . 1 . 2 ]" 1 291 1 80 VAL QG 1 81 THR H 3.200 . 4.160 3.327 3.257 3.387 . 0 0 "[ . 1 . 2 ]" 1 292 1 81 THR H 1 96 SER HA 3.800 . 4.940 4.392 4.169 4.556 . 0 0 "[ . 1 . 2 ]" 1 293 1 80 VAL HA 1 81 THR H 2.400 . 3.120 2.180 2.113 2.279 . 0 0 "[ . 1 . 2 ]" 1 294 1 81 THR H 1 82 VAL H 4.000 . 5.200 4.436 4.389 4.490 . 0 0 "[ . 1 . 2 ]" 1 295 1 81 THR HA 1 82 VAL H 2.500 . 3.250 2.225 2.181 2.273 . 0 0 "[ . 1 . 2 ]" 1 296 1 81 THR MG 1 82 VAL H 3.600 . 4.680 2.743 2.342 3.595 . 0 0 "[ . 1 . 2 ]" 1 297 1 42 LEU H 1 82 VAL H 3.600 . 4.680 3.737 3.517 3.916 . 0 0 "[ . 1 . 2 ]" 1 298 1 43 TYR HA 1 82 VAL H 3.300 . 4.290 2.669 2.516 2.870 . 0 0 "[ . 1 . 2 ]" 1 299 1 81 THR HB 1 82 VAL H 3.100 . 4.030 3.336 2.700 3.676 . 0 0 "[ . 1 . 2 ]" 1 300 1 42 LEU QB 1 82 VAL H 3.800 . 4.940 2.983 2.827 3.120 . 0 0 "[ . 1 . 2 ]" 1 301 1 83 LEU H 1 94 SER HA 3.900 . 5.070 5.005 4.600 5.142 0.072 2 0 "[ . 1 . 2 ]" 1 302 1 83 LEU H 1 96 SER HA 3.600 . 4.680 3.074 2.797 3.490 . 0 0 "[ . 1 . 2 ]" 1 303 1 83 LEU H 1 95 CYS HA 3.800 . 4.940 5.060 4.979 5.119 0.179 3 0 "[ . 1 . 2 ]" 1 304 1 82 VAL HA 1 83 LEU H 2.700 . 3.510 2.240 2.202 2.315 . 0 0 "[ . 1 . 2 ]" 1 305 1 41 LEU HA 1 84 GLU H 3.300 . 4.290 3.696 3.003 3.983 . 0 0 "[ . 1 . 2 ]" 1 306 1 40 THR H 1 84 GLU H 3.400 . 4.420 3.720 3.210 3.965 . 0 0 "[ . 1 . 2 ]" 1 307 1 83 LEU HG 1 84 GLU H 3.100 . 4.030 3.452 2.915 3.624 . 0 0 "[ . 1 . 2 ]" 1 308 1 83 LEU HA 1 84 GLU H 2.500 . 3.250 2.098 2.065 2.118 . 0 0 "[ . 1 . 2 ]" 1 309 1 83 LEU QD 1 84 GLU H 3.300 . 4.290 3.015 2.435 3.325 . 0 0 "[ . 1 . 2 ]" 1 310 1 83 LEU QB 1 84 GLU H 3.400 . 4.420 3.818 3.649 3.887 . 0 0 "[ . 1 . 2 ]" 1 311 1 84 GLU QB 1 85 GLY H 3.700 . 4.810 3.573 3.466 3.746 . 0 0 "[ . 1 . 2 ]" 1 312 1 84 GLU QG 1 85 GLY H 4.400 . 5.720 3.975 3.747 4.193 . 0 0 "[ . 1 . 2 ]" 1 313 1 85 GLY H 1 94 SER HA 3.400 . 4.420 3.329 3.034 3.848 . 0 0 "[ . 1 . 2 ]" 1 314 1 84 GLU HA 1 85 GLY H 2.700 . 3.510 2.152 2.133 2.220 . 0 0 "[ . 1 . 2 ]" 1 315 1 85 GLY H 1 91 THR MG 3.700 . 4.810 4.373 3.933 4.891 0.081 11 0 "[ . 1 . 2 ]" 1 316 1 39 TYR HA 1 86 PHE H 3.600 . 4.680 2.917 2.010 3.139 . 0 0 "[ . 1 . 2 ]" 1 317 1 86 PHE QD 1 87 SER H 3.900 . 5.070 4.696 4.466 4.784 . 0 0 "[ . 1 . 2 ]" 1 318 1 86 PHE HA 1 87 SER H 2.500 . 3.250 2.185 2.137 2.203 . 0 0 "[ . 1 . 2 ]" 1 319 1 87 SER H 1 90 THR HB 3.100 . 4.030 4.143 4.108 4.172 0.142 1 0 "[ . 1 . 2 ]" 1 320 1 87 SER H 1 91 THR MG 3.900 . 5.070 4.832 4.736 5.104 0.034 11 0 "[ . 1 . 2 ]" 1 321 1 86 PHE QB 1 87 SER H 3.400 . 4.420 3.191 3.146 3.263 . 0 0 "[ . 1 . 2 ]" 1 322 1 87 SER H 1 90 THR H 3.100 . 4.030 3.918 3.843 3.958 . 0 0 "[ . 1 . 2 ]" 1 323 1 89 ASN QB 1 90 THR H 4.000 . 5.200 3.415 3.095 3.812 . 0 0 "[ . 1 . 2 ]" 1 324 1 89 ASN HB3 1 90 THR H 3.400 . 4.420 3.976 3.441 4.419 . 0 0 "[ . 1 . 2 ]" 1 325 1 90 THR HA 1 91 THR H 2.900 . 3.770 2.289 2.275 2.300 . 0 0 "[ . 1 . 2 ]" 1 326 1 87 SER H 1 92 LEU H 3.800 . 4.940 2.768 2.359 2.945 . 0 0 "[ . 1 . 2 ]" 1 327 1 86 PHE HA 1 92 LEU H 3.000 . 3.900 1.810 1.745 2.080 0.055 10 0 "[ . 1 . 2 ]" 1 328 1 91 THR HA 1 92 LEU H 2.700 . 3.510 2.040 2.027 2.068 . 0 0 "[ . 1 . 2 ]" 1 329 1 91 THR MG 1 92 LEU H 3.200 . 4.160 2.947 2.765 3.916 . 0 0 "[ . 1 . 2 ]" 1 330 1 91 THR HB 1 92 LEU H 2.700 . 3.510 3.706 3.512 3.772 0.262 5 0 "[ . 1 . 2 ]" 1 331 1 86 PHE QD 1 92 LEU H 4.500 . 5.850 3.840 3.122 4.086 . 0 0 "[ . 1 . 2 ]" 1 332 1 92 LEU H 1 93 PHE H 2.500 . 3.250 2.080 2.024 2.284 . 0 0 "[ . 1 . 2 ]" 1 333 1 86 PHE HA 1 93 PHE H 3.600 . 4.680 3.534 3.400 4.082 . 0 0 "[ . 1 . 2 ]" 1 334 1 92 LEU QB 1 93 PHE H 3.100 . 4.030 3.096 2.994 3.139 . 0 0 "[ . 1 . 2 ]" 1 335 1 91 THR MG 1 93 PHE H 3.500 . 4.550 3.090 2.866 4.262 . 0 0 "[ . 1 . 2 ]" 1 336 1 93 PHE QE 1 94 SER H 4.200 . 5.460 5.426 3.907 5.548 0.088 20 0 "[ . 1 . 2 ]" 1 337 1 93 PHE QD 1 94 SER H 3.100 . 4.030 3.368 2.434 3.464 . 0 0 "[ . 1 . 2 ]" 1 338 1 93 PHE HA 1 94 SER H 2.400 . 3.120 2.457 2.340 3.482 0.362 21 0 "[ . 1 . 2 ]" 1 339 1 93 PHE HB2 1 94 SER H 2.900 . 3.740 2.225 2.123 2.384 . 0 0 "[ . 1 . 2 ]" 1 340 1 93 PHE HB3 1 94 SER H 2.900 . 3.770 3.593 3.514 3.666 . 0 0 "[ . 1 . 2 ]" 1 341 1 84 GLU HA 1 94 SER H 3.300 . 4.290 4.243 2.867 4.380 0.090 17 0 "[ . 1 . 2 ]" 1 342 1 83 LEU H 1 95 CYS H 3.200 . 4.160 3.750 3.355 4.241 0.081 7 0 "[ . 1 . 2 ]" 1 343 1 93 PHE QE 1 95 CYS H 4.200 . 5.460 4.565 4.133 4.967 . 0 0 "[ . 1 . 2 ]" 1 344 1 93 PHE QD 1 95 CYS H 3.600 . 4.680 3.177 2.454 3.808 . 0 0 "[ . 1 . 2 ]" 1 345 1 94 SER HA 1 95 CYS H 2.400 . 3.120 2.410 2.236 2.699 . 0 0 "[ . 1 . 2 ]" 1 346 1 84 GLU HA 1 95 CYS H 3.200 . 4.160 3.475 3.157 3.903 . 0 0 "[ . 1 . 2 ]" 1 347 1 94 SER QB 1 95 CYS H 3.200 . 4.160 3.803 3.559 4.085 . 0 0 "[ . 1 . 2 ]" 1 348 1 83 LEU QB 1 95 CYS H 3.900 . 5.070 4.151 3.919 4.326 . 0 0 "[ . 1 . 2 ]" 1 349 1 84 GLU QB 1 95 CYS H 4.500 . 5.850 5.260 4.931 5.707 . 0 0 "[ . 1 . 2 ]" 1 350 1 83 LEU HG 1 95 CYS H 3.400 . 4.420 4.284 4.090 4.469 0.049 8 0 "[ . 1 . 2 ]" 1 351 1 83 LEU QD 1 95 CYS H 4.400 . 5.720 4.317 4.179 4.520 . 0 0 "[ . 1 . 2 ]" 1 352 1 95 CYS HA 1 96 SER H 2.800 . 3.640 2.300 2.217 2.473 . 0 0 "[ . 1 . 2 ]" 1 353 1 95 CYS QB 1 96 SER H 4.200 . 5.460 2.719 2.346 2.953 . 0 0 "[ . 1 . 2 ]" 1 354 1 81 THR H 1 97 HIS H 3.000 . 3.900 2.562 2.398 2.719 . 0 0 "[ . 1 . 2 ]" 1 355 1 81 THR HB 1 97 HIS H 3.400 . 4.420 3.950 3.607 4.425 0.005 19 0 "[ . 1 . 2 ]" 1 356 1 96 SER HA 1 97 HIS H 2.300 . 2.990 2.440 2.160 2.519 . 0 0 "[ . 1 . 2 ]" 1 357 1 82 VAL HA 1 97 HIS H 3.100 . 4.030 3.853 3.673 4.013 . 0 0 "[ . 1 . 2 ]" 1 358 1 80 VAL HA 1 97 HIS H 3.700 . 4.810 4.154 3.838 4.455 . 0 0 "[ . 1 . 2 ]" 1 359 1 96 SER QB 1 97 HIS H 3.100 . 4.030 2.680 2.179 3.393 . 0 0 "[ . 1 . 2 ]" 1 360 1 98 ASN HB2 1 99 PHE H 3.600 . 4.680 4.029 3.485 4.513 . 0 0 "[ . 1 . 2 ]" 1 361 1 98 ASN HB3 1 99 PHE H 3.400 . 4.420 4.251 3.765 4.456 0.036 3 0 "[ . 1 . 2 ]" 1 362 1 80 VAL QG 1 99 PHE H 4.400 . 5.720 3.476 3.309 3.606 . 0 0 "[ . 1 . 2 ]" 1 363 1 81 THR H 1 99 PHE H 3.600 . 4.680 3.586 3.207 4.051 . 0 0 "[ . 1 . 2 ]" 1 364 1 98 ASN HA 1 99 PHE H 2.500 . 3.250 2.195 2.140 2.249 . 0 0 "[ . 1 . 2 ]" 1 365 1 78 ALA HA 1 99 PHE H 3.800 . 4.940 4.813 4.568 4.962 0.022 18 0 "[ . 1 . 2 ]" 1 366 1 80 VAL HA 1 99 PHE H 3.300 . 4.290 2.459 2.330 2.512 . 0 0 "[ . 1 . 2 ]" 1 367 1 80 VAL HB 1 99 PHE H 3.900 . 5.070 5.100 4.940 5.138 0.068 8 0 "[ . 1 . 2 ]" 1 368 1 79 TYR H 1 99 PHE H 3.900 . 5.070 4.270 3.995 4.459 . 0 0 "[ . 1 . 2 ]" 1 369 1 99 PHE HA 1 100 TRP H 2.400 . 3.120 2.138 2.126 2.150 . 0 0 "[ . 1 . 2 ]" 1 370 1 99 PHE HB2 1 100 TRP H 3.800 . 4.940 4.384 4.284 4.477 . 0 0 "[ . 1 . 2 ]" 1 371 1 99 PHE HB3 1 100 TRP H 3.800 . 4.910 3.534 3.338 3.607 . 0 0 "[ . 1 . 2 ]" 1 372 1 78 ALA MB 1 100 TRP HE1 3.600 . 4.680 4.436 4.204 4.610 . 0 0 "[ . 1 . 2 ]" 1 373 1 100 TRP HE1 1 103 ILE HB 3.500 . 4.550 4.546 4.379 4.587 0.037 19 0 "[ . 1 . 2 ]" 1 374 1 100 TRP HE1 1 103 ILE MD 4.300 . 5.590 3.106 2.413 4.061 . 0 0 "[ . 1 . 2 ]" 1 375 1 100 TRP HA 1 101 LEU H 2.700 . 3.510 2.404 2.335 2.719 . 0 0 "[ . 1 . 2 ]" 1 376 1 78 ALA HA 1 101 LEU H 3.600 . 4.680 2.971 2.788 3.459 . 0 0 "[ . 1 . 2 ]" 1 377 1 78 ALA HA 1 102 ALA H 3.800 . 4.940 4.575 4.409 4.687 . 0 0 "[ . 1 . 2 ]" 1 378 1 100 TRP HB3 1 104 ASP H 3.700 . 4.810 3.231 3.167 3.399 . 0 0 "[ . 1 . 2 ]" 1 379 1 100 TRP HB2 1 104 ASP H 3.700 . 4.810 4.816 4.660 4.870 0.060 22 0 "[ . 1 . 2 ]" 1 380 1 18 LEU H 1 106 SER H 3.800 . 4.940 4.456 3.553 5.031 0.091 18 0 "[ . 1 . 2 ]" 1 381 1 17 SER HA 1 106 SER H 3.200 . 4.160 4.245 4.175 4.329 0.169 17 0 "[ . 1 . 2 ]" 1 382 1 12 CYS HA 1 29 LEU HA 2.500 . 3.250 3.328 2.854 3.440 0.190 10 0 "[ . 1 . 2 ]" 1 383 1 14 PHE HA 1 27 TRP HA 2.500 . 3.250 1.747 1.694 1.825 0.106 1 0 "[ . 1 . 2 ]" 1 384 1 16 ILE HA 1 25 LEU HA 2.300 . 2.990 1.829 1.752 1.948 0.048 2 0 "[ . 1 . 2 ]" 1 385 1 18 LEU HA 1 23 SER HA 2.500 . 3.250 2.758 2.642 2.877 . 0 0 "[ . 1 . 2 ]" 1 386 1 24 ILE HA 1 67 ASP HA 2.300 . 2.990 1.903 1.855 1.940 . 0 0 "[ . 1 . 2 ]" 1 387 1 26 SER HA 1 65 PHE HA 2.300 . 2.990 1.797 1.760 1.822 0.040 11 0 "[ . 1 . 2 ]" 1 388 1 39 TYR HA 1 85 GLY HA3 2.700 2.100 3.420 3.305 3.117 3.473 0.053 20 0 "[ . 1 . 2 ]" 1 389 1 39 TYR HA 1 85 GLY HA2 2.700 2.100 3.420 2.186 2.006 2.327 0.094 9 0 "[ . 1 . 2 ]" 1 390 1 41 LEU HA 1 83 LEU HA 2.400 . 3.120 2.497 2.300 2.653 . 0 0 "[ . 1 . 2 ]" 1 391 1 42 LEU HA 1 54 VAL HA 2.300 . 2.990 2.164 2.026 2.250 . 0 0 "[ . 1 . 2 ]" 1 392 1 43 TYR HA 1 81 THR HA 2.400 . 3.120 1.827 1.770 1.956 0.030 7 0 "[ . 1 . 2 ]" 1 393 1 45 ILE HA 1 79 TYR HA 2.300 . 3.050 2.206 2.038 2.355 . 0 0 "[ . 1 . 2 ]" 1 394 1 86 PHE HA 1 91 THR HA 2.400 . 3.120 1.900 1.693 2.165 0.107 1 0 "[ . 1 . 2 ]" 1 395 1 84 GLU HA 1 94 SER HA 2.300 . 2.990 1.840 1.690 2.056 0.110 11 0 "[ . 1 . 2 ]" 1 396 1 82 VAL HA 1 96 SER HA 2.100 . 2.730 1.953 1.865 2.037 . 0 0 "[ . 1 . 2 ]" 1 397 1 80 VAL HA 1 98 ASN HA 2.100 . 2.730 1.968 1.848 2.103 . 0 0 "[ . 1 . 2 ]" 1 398 1 78 ALA HA 1 100 TRP HA 2.500 . 3.250 2.543 2.337 2.713 . 0 0 "[ . 1 . 2 ]" 1 399 1 12 CYS HA 1 29 LEU HB3 2.900 . 3.770 3.151 2.052 3.810 0.040 22 0 "[ . 1 . 2 ]" 1 400 1 13 THR HB 1 28 GLU HB3 2.400 . 3.120 2.595 2.211 2.971 . 0 0 "[ . 1 . 2 ]" 1 401 1 13 THR HB 1 28 GLU HB2 2.600 . 3.380 2.104 1.936 2.251 . 0 0 "[ . 1 . 2 ]" 1 402 1 13 THR HB 1 28 GLU QG 2.700 . 3.510 3.517 3.415 3.595 0.085 8 0 "[ . 1 . 2 ]" 1 403 1 14 PHE HA 1 27 TRP QB 2.900 . 3.770 3.019 2.957 3.103 . 0 0 "[ . 1 . 2 ]" 1 404 1 14 PHE HB2 1 25 LEU QD 3.500 . 4.550 3.848 3.329 4.601 0.051 4 0 "[ . 1 . 2 ]" 1 405 1 14 PHE HB3 1 25 LEU QD 3.600 . 4.680 2.808 2.422 3.987 . 0 0 "[ . 1 . 2 ]" 1 406 1 14 PHE HB3 1 99 PHE HZ 3.100 . 4.030 2.185 1.980 2.640 . 0 0 "[ . 1 . 2 ]" 1 407 1 14 PHE HB2 1 99 PHE HZ 3.200 . 4.160 2.116 1.904 2.666 . 0 0 "[ . 1 . 2 ]" 1 408 1 16 ILE HA 1 25 LEU HB3 2.600 . 3.380 3.498 3.451 3.576 0.196 4 0 "[ . 1 . 2 ]" 1 409 1 16 ILE HA 1 25 LEU HB2 2.700 . 3.510 3.403 3.273 3.479 . 0 0 "[ . 1 . 2 ]" 1 410 1 16 ILE HB 1 25 LEU HA 3.100 . 4.030 3.547 3.340 4.137 0.107 18 0 "[ . 1 . 2 ]" 1 411 1 16 ILE HG12 1 25 LEU HA 2.800 . 3.640 3.622 2.560 3.737 0.097 13 0 "[ . 1 . 2 ]" 1 412 1 16 ILE HG13 1 25 LEU HA 3.200 . 4.160 2.391 2.173 4.285 0.125 19 0 "[ . 1 . 2 ]" 1 413 1 16 ILE QG 1 72 TRP HZ3 3.200 . 4.160 3.947 1.874 4.209 0.049 12 0 "[ . 1 . 2 ]" 1 414 1 17 SER HA 1 106 SER QB 3.300 . 4.290 2.649 1.929 4.303 0.013 21 0 "[ . 1 . 2 ]" 1 415 1 15 LYS QG 1 17 SER HA 3.200 . 4.160 4.369 4.297 4.438 0.278 17 0 "[ . 1 . 2 ]" 1 416 1 16 ILE MG 1 17 SER HA 3.300 . 4.290 3.566 3.349 3.740 . 0 0 "[ . 1 . 2 ]" 1 417 1 17 SER HB3 1 24 ILE HB 2.900 . 3.770 3.703 3.035 3.861 0.091 6 0 "[ . 1 . 2 ]" 1 418 1 17 SER HB2 1 24 ILE HB 2.900 . 3.770 3.337 2.806 3.871 0.101 6 0 "[ . 1 . 2 ]" 1 419 1 17 SER HB3 1 24 ILE MD 3.500 . 4.550 3.948 3.209 4.558 0.008 18 0 "[ . 1 . 2 ]" 1 420 1 17 SER HB2 1 24 ILE MD 3.300 . 4.290 4.217 3.792 4.357 0.067 15 0 "[ . 1 . 2 ]" 1 421 1 19 ARG HB3 1 24 ILE MD 3.200 . 4.160 3.070 2.176 4.204 0.044 3 0 "[ . 1 . 2 ]" 1 422 1 19 ARG HB2 1 24 ILE MD 3.500 . 4.550 3.309 2.659 4.375 . 0 0 "[ . 1 . 2 ]" 1 423 1 20 ASN HA 1 21 PHE QD 3.200 . 4.160 3.377 3.139 4.034 . 0 0 "[ . 1 . 2 ]" 1 424 1 18 LEU MD1 1 21 PHE HA 2.800 . 3.640 3.153 2.734 3.539 . 0 0 "[ . 1 . 2 ]" 1 425 1 18 LEU MD2 1 21 PHE HA 2.800 . 3.640 2.832 2.208 3.147 . 0 0 "[ . 1 . 2 ]" 1 426 1 18 LEU HG 1 21 PHE HA 2.400 . 3.120 1.922 1.807 2.009 . 0 0 "[ . 1 . 2 ]" 1 427 1 18 LEU QD 1 21 PHE HB3 3.600 . 4.680 4.050 3.564 4.214 . 0 0 "[ . 1 . 2 ]" 1 428 1 18 LEU QD 1 21 PHE HB2 3.600 . 4.680 3.549 3.184 3.770 . 0 0 "[ . 1 . 2 ]" 1 429 1 18 LEU HG 1 21 PHE HB2 3.100 . 4.030 4.008 3.863 4.095 0.065 21 0 "[ . 1 . 2 ]" 1 430 1 18 LEU HG 1 21 PHE HB3 3.200 . 4.160 4.294 4.206 4.353 0.193 11 0 "[ . 1 . 2 ]" 1 431 1 18 LEU QD 1 22 ARG HA 3.400 . 4.420 3.107 2.888 3.397 . 0 0 "[ . 1 . 2 ]" 1 432 1 22 ARG HA 1 69 THR MG 2.900 . 3.770 2.930 1.926 3.896 0.126 21 0 "[ . 1 . 2 ]" 1 433 1 18 LEU MD1 1 23 SER HA 3.300 . 4.290 1.863 1.782 2.005 0.018 20 0 "[ . 1 . 2 ]" 1 434 1 18 LEU MD2 1 23 SER HA 3.300 . 4.290 4.397 4.347 4.441 0.151 14 0 "[ . 1 . 2 ]" 1 435 1 16 ILE MD 1 23 SER HB3 3.000 . 3.900 3.595 3.506 3.749 . 0 0 "[ . 1 . 2 ]" 1 436 1 16 ILE MD 1 23 SER HB2 3.100 . 4.030 4.106 4.063 4.138 0.108 5 0 "[ . 1 . 2 ]" 1 437 1 24 ILE HA 1 67 ASP QB 2.600 . 3.380 3.475 3.439 3.532 0.152 4 0 "[ . 1 . 2 ]" 1 438 1 24 ILE HA 1 68 LEU HG 2.100 . 2.730 2.746 2.450 2.809 0.079 21 0 "[ . 1 . 2 ]" 1 439 1 24 ILE HB 1 67 ASP HA 3.000 . 3.900 3.968 3.908 4.034 0.134 6 0 "[ . 1 . 2 ]" 1 440 1 24 ILE MG 1 26 SER HA 3.400 . 4.420 4.430 4.244 4.524 0.104 12 0 "[ . 1 . 2 ]" 1 441 1 15 LYS QB 1 26 SER QB 3.100 . 4.030 3.401 2.984 3.670 . 0 0 "[ . 1 . 2 ]" 1 442 1 14 PHE QE 1 27 TRP HA 3.200 . 4.160 4.475 4.418 4.522 0.362 22 0 "[ . 1 . 2 ]" 1 443 1 27 TRP HA 1 28 GLU HB2 2.900 . 3.770 3.870 3.842 3.897 0.127 15 0 "[ . 1 . 2 ]" 1 444 1 28 GLU HA 1 29 LEU MD1 3.400 . 4.420 3.817 3.003 4.508 0.088 11 0 "[ . 1 . 2 ]" 1 445 1 36 PRO HA 1 37 THR MG 3.500 . 4.550 3.873 3.794 3.957 . 0 0 "[ . 1 . 2 ]" 1 446 1 36 PRO HA 1 92 LEU QD 2.900 . 3.770 3.797 3.713 3.861 0.091 20 0 "[ . 1 . 2 ]" 1 447 1 36 PRO QB 1 92 LEU QD 3.500 . 4.550 2.158 1.941 4.272 . 0 0 "[ . 1 . 2 ]" 1 448 1 38 HIS HA 1 62 THR HA 2.200 . 2.860 2.071 2.001 2.160 . 0 0 "[ . 1 . 2 ]" 1 449 1 38 HIS HA 1 62 THR HB 2.500 . 3.250 3.463 3.439 3.483 0.233 9 0 "[ . 1 . 2 ]" 1 450 1 38 HIS HA 1 62 THR MG 2.600 . 3.380 2.815 2.057 3.284 . 0 0 "[ . 1 . 2 ]" 1 451 1 39 TYR HA 1 83 LEU MD1 3.300 . 4.290 3.910 3.741 4.248 . 0 0 "[ . 1 . 2 ]" 1 452 1 40 THR HA 1 42 LEU MD2 3.500 . 4.550 4.726 4.659 4.807 0.257 9 0 "[ . 1 . 2 ]" 1 453 1 40 THR HA 1 59 ALA HA 2.200 . 2.860 1.734 1.700 1.801 0.100 3 0 "[ . 1 . 2 ]" 1 454 1 41 LEU HB3 1 66 CYS HB3 3.100 . 4.030 3.564 3.294 3.898 . 0 0 "[ . 1 . 2 ]" 1 455 1 41 LEU HB3 1 66 CYS HB2 3.100 . 4.030 3.735 3.468 4.066 0.036 6 0 "[ . 1 . 2 ]" 1 456 1 41 LEU HB2 1 66 CYS HB3 3.100 . 4.030 3.196 2.928 3.924 . 0 0 "[ . 1 . 2 ]" 1 457 1 41 LEU HB2 1 66 CYS HB2 3.100 . 4.030 3.174 2.691 3.575 . 0 0 "[ . 1 . 2 ]" 1 458 1 43 TYR HA 1 81 THR HB 3.000 . 3.900 4.056 3.732 4.160 0.260 8 0 "[ . 1 . 2 ]" 1 459 1 43 TYR HA 1 81 THR MG 3.200 . 4.160 2.106 1.811 2.685 . 0 0 "[ . 1 . 2 ]" 1 460 1 43 TYR QD 1 44 THR HA 3.000 . 3.900 2.769 2.562 3.018 . 0 0 "[ . 1 . 2 ]" 1 461 1 43 TYR QE 1 44 THR HA 3.200 . 4.160 3.817 3.610 4.088 . 0 0 "[ . 1 . 2 ]" 1 462 1 44 THR HA 1 52 LEU QD 3.500 . 4.550 4.113 4.016 4.218 . 0 0 "[ . 1 . 2 ]" 1 463 1 45 ILE HA 1 77 GLU QB 2.700 . 3.510 3.798 3.751 3.844 0.334 12 0 "[ . 1 . 2 ]" 1 464 1 48 LYS HA 1 49 PRO HD3 2.200 . 2.860 2.731 2.519 2.902 0.042 13 0 "[ . 1 . 2 ]" 1 465 1 48 LYS HA 1 49 PRO HD2 2.100 . 2.730 2.373 1.885 2.681 . 0 0 "[ . 1 . 2 ]" 1 466 1 44 THR MG 1 49 PRO HA 2.500 . 3.250 1.995 1.839 2.753 . 0 0 "[ . 1 . 2 ]" 1 467 1 49 PRO HA 1 80 VAL QG 3.400 . 4.420 2.606 2.456 2.743 . 0 0 "[ . 1 . 2 ]" 1 468 1 44 THR MG 1 49 PRO HB3 3.500 . 4.550 3.270 2.916 4.598 0.048 13 0 "[ . 1 . 2 ]" 1 469 1 44 THR MG 1 49 PRO HB2 3.500 . 4.550 3.936 3.606 4.578 0.028 13 0 "[ . 1 . 2 ]" 1 470 1 48 LYS HB3 1 51 ASP HB3 2.700 . 3.510 3.527 3.296 3.548 0.038 11 0 "[ . 1 . 2 ]" 1 471 1 48 LYS HB3 1 51 ASP HB2 2.700 . 3.510 2.629 2.368 3.096 . 0 0 "[ . 1 . 2 ]" 1 472 1 48 LYS HB2 1 51 ASP HB2 2.700 . 3.510 3.542 3.494 3.556 0.046 11 0 "[ . 1 . 2 ]" 1 473 1 48 LYS QG 1 51 ASP HB2 3.400 . 4.420 4.288 3.979 4.429 0.009 5 0 "[ . 1 . 2 ]" 1 474 1 44 THR HA 1 52 LEU HA 2.700 . 3.510 2.971 2.580 3.280 . 0 0 "[ . 1 . 2 ]" 1 475 1 44 THR HB 1 52 LEU HA 2.200 . 2.860 1.813 1.676 1.887 0.124 11 0 "[ . 1 . 2 ]" 1 476 1 42 LEU QD 1 53 LYS HA 3.200 . 4.160 4.180 3.537 4.263 0.103 18 0 "[ . 1 . 2 ]" 1 477 1 53 LYS HA 1 54 VAL QG 3.600 . 4.680 3.299 3.178 3.665 . 0 0 "[ . 1 . 2 ]" 1 478 1 40 THR MG 1 54 VAL HA 3.100 . 4.030 3.274 2.970 3.620 . 0 0 "[ . 1 . 2 ]" 1 479 1 42 LEU QB 1 54 VAL HA 2.600 . 3.380 3.399 3.333 3.658 0.278 11 0 "[ . 1 . 2 ]" 1 480 1 53 LYS QB 1 55 VAL HA 2.800 . 3.640 3.726 3.605 3.771 0.131 20 0 "[ . 1 . 2 ]" 1 481 1 53 LYS QG 1 55 VAL HA 2.800 . 3.640 3.730 3.708 3.744 0.104 20 0 "[ . 1 . 2 ]" 1 482 1 55 VAL QG 1 57 ASN QB 3.500 . 4.550 3.469 2.216 4.142 . 0 0 "[ . 1 . 2 ]" 1 483 1 58 CYS HA 1 61 THR HB 2.300 . 2.990 3.042 2.932 3.091 0.101 9 0 "[ . 1 . 2 ]" 1 484 1 41 LEU HB3 1 58 CYS HB3 3.000 . 3.900 2.242 1.977 3.005 . 0 0 "[ . 1 . 2 ]" 1 485 1 41 LEU HB2 1 58 CYS HB3 3.000 . 3.900 2.352 2.141 2.744 . 0 0 "[ . 1 . 2 ]" 1 486 1 41 LEU HB3 1 58 CYS HB2 3.000 . 3.900 2.618 2.002 3.136 . 0 0 "[ . 1 . 2 ]" 1 487 1 41 LEU HB2 1 58 CYS HB2 3.000 . 3.900 3.580 2.970 3.958 0.058 19 0 "[ . 1 . 2 ]" 1 488 1 55 VAL HB 1 58 CYS HB2 2.800 . 3.640 2.003 1.898 2.293 . 0 0 "[ . 1 . 2 ]" 1 489 1 55 VAL HB 1 58 CYS HB3 2.800 . 3.640 3.351 3.122 3.678 0.038 8 0 "[ . 1 . 2 ]" 1 490 1 55 VAL QG 1 58 CYS HB3 3.400 . 4.420 3.810 3.380 4.025 . 0 0 "[ . 1 . 2 ]" 1 491 1 55 VAL QG 1 58 CYS HB2 3.400 . 4.420 2.941 1.912 3.226 . 0 0 "[ . 1 . 2 ]" 1 492 1 58 CYS HB3 1 61 THR MG 3.400 . 4.420 3.510 3.119 3.617 . 0 0 "[ . 1 . 2 ]" 1 493 1 58 CYS HB2 1 61 THR MG 3.400 . 4.420 4.423 4.327 4.449 0.029 13 0 "[ . 1 . 2 ]" 1 494 1 40 THR HB 1 59 ALA HA 2.800 . 3.640 3.822 3.720 3.892 0.252 20 0 "[ . 1 . 2 ]" 1 495 1 54 VAL QG 1 59 ALA HA 3.000 . 3.900 3.252 2.510 3.915 0.015 11 0 "[ . 1 . 2 ]" 1 496 1 59 ALA HA 1 61 THR MG 3.200 . 4.160 3.895 3.731 4.046 . 0 0 "[ . 1 . 2 ]" 1 497 1 38 HIS HA 1 60 ASN HA 2.800 . 3.640 4.054 4.025 4.076 0.436 14 0 "[ . 1 . 2 ]" 1 498 1 38 HIS HB3 1 60 ASN HA 3.000 . 3.900 3.945 3.831 4.023 0.123 2 0 "[ . 1 . 2 ]" 1 499 1 38 HIS HB2 1 60 ASN HA 3.000 . 3.900 2.305 2.183 2.435 . 0 0 "[ . 1 . 2 ]" 1 500 1 38 HIS HD2 1 60 ASN HA 2.200 . 2.860 2.729 1.751 3.017 0.157 20 0 "[ . 1 . 2 ]" 1 501 1 59 ALA MB 1 60 ASN HB3 3.600 . 4.680 4.184 3.214 4.781 0.101 14 0 "[ . 1 . 2 ]" 1 502 1 59 ALA MB 1 60 ASN HB2 3.500 . 4.550 4.385 3.292 4.627 0.077 18 0 "[ . 1 . 2 ]" 1 503 1 38 HIS HB2 1 62 THR HA 3.000 . 3.900 4.038 3.988 4.074 0.174 20 0 "[ . 1 . 2 ]" 1 504 1 39 TYR QE 1 62 THR HA 3.300 . 4.290 4.369 4.296 4.403 0.113 3 0 "[ . 1 . 2 ]" 1 505 1 27 TRP HH2 1 64 SER HA 2.900 . 3.770 3.819 3.677 3.884 0.114 19 0 "[ . 1 . 2 ]" 1 506 1 27 TRP HZ2 1 64 SER HA 2.500 . 3.250 1.978 1.949 2.016 . 0 0 "[ . 1 . 2 ]" 1 507 1 39 TYR QE 1 64 SER HA 3.300 . 4.290 3.623 3.413 4.223 . 0 0 "[ . 1 . 2 ]" 1 508 1 27 TRP HZ2 1 64 SER HB3 3.200 . 4.160 4.270 4.175 4.333 0.173 4 0 "[ . 1 . 2 ]" 1 509 1 39 TYR QE 1 64 SER HB3 3.400 . 4.420 3.820 3.489 4.515 0.095 9 0 "[ . 1 . 2 ]" 1 510 1 27 TRP HZ2 1 64 SER HB2 3.200 . 4.160 4.151 4.095 4.217 0.057 19 0 "[ . 1 . 2 ]" 1 511 1 39 TYR QE 1 64 SER HB2 3.300 . 4.290 4.444 4.420 4.486 0.196 17 0 "[ . 1 . 2 ]" 1 512 1 24 ILE MG 1 65 PHE HA 3.200 . 4.160 4.225 4.161 4.407 0.247 9 0 "[ . 1 . 2 ]" 1 513 1 58 CYS QB 1 66 CYS QB 3.600 . 4.680 2.397 1.978 3.196 . 0 0 "[ . 1 . 2 ]" 1 514 1 24 ILE MG 1 67 ASP HA 2.500 . 3.250 2.013 1.915 2.357 . 0 0 "[ . 1 . 2 ]" 1 515 1 24 ILE MG 1 67 ASP HB3 3.100 . 4.030 2.846 2.666 3.291 . 0 0 "[ . 1 . 2 ]" 1 516 1 24 ILE MG 1 67 ASP HB2 3.100 . 4.030 3.566 3.378 4.078 0.048 13 0 "[ . 1 . 2 ]" 1 517 1 68 LEU HA 1 71 GLU QB 2.800 . 3.640 2.364 2.063 2.605 . 0 0 "[ . 1 . 2 ]" 1 518 1 68 LEU HA 1 71 GLU QG 3.100 . 4.030 3.547 3.054 3.989 . 0 0 "[ . 1 . 2 ]" 1 519 1 23 SER HB3 1 69 THR HA 2.800 . 3.640 3.784 3.750 3.802 0.162 19 0 "[ . 1 . 2 ]" 1 520 1 23 SER HB2 1 69 THR HA 2.800 . 3.640 3.744 3.701 3.771 0.131 5 0 "[ . 1 . 2 ]" 1 521 1 68 LEU QD 1 71 GLU QB 3.200 . 4.100 3.225 2.971 3.526 . 0 0 "[ . 1 . 2 ]" 1 522 1 72 TRP HA 1 79 TYR QE 3.100 . 4.030 2.277 1.943 2.612 . 0 0 "[ . 1 . 2 ]" 1 523 1 72 TRP HB3 1 101 LEU QD 3.500 . 4.550 2.502 2.296 2.729 . 0 0 "[ . 1 . 2 ]" 1 524 1 72 TRP HB2 1 101 LEU QD 3.700 . 4.810 3.395 3.245 3.603 . 0 0 "[ . 1 . 2 ]" 1 525 1 74 SER HB3 1 77 GLU HB3 3.000 . 3.900 3.919 3.904 3.935 0.035 17 0 "[ . 1 . 2 ]" 1 526 1 74 SER HB3 1 77 GLU HB2 3.000 . 3.900 2.505 2.436 2.587 . 0 0 "[ . 1 . 2 ]" 1 527 1 74 SER HB3 1 77 GLU HG3 2.800 . 3.640 2.982 2.806 3.112 . 0 0 "[ . 1 . 2 ]" 1 528 1 74 SER HB3 1 77 GLU HG2 2.800 . 3.640 2.766 2.320 3.044 . 0 0 "[ . 1 . 2 ]" 1 529 1 74 SER HB2 1 77 GLU HB3 3.000 . 3.900 3.507 3.313 3.919 0.019 12 0 "[ . 1 . 2 ]" 1 530 1 74 SER HB2 1 77 GLU HB2 3.000 . 3.900 2.097 1.907 2.623 . 0 0 "[ . 1 . 2 ]" 1 531 1 74 SER HB2 1 77 GLU HG3 2.800 . 3.640 3.596 3.331 3.666 0.026 5 0 "[ . 1 . 2 ]" 1 532 1 74 SER HB2 1 77 GLU HG2 2.800 . 3.640 3.665 3.643 3.678 0.038 16 0 "[ . 1 . 2 ]" 1 533 1 75 THR HA 1 101 LEU HB3 3.100 . 4.030 3.595 3.106 4.048 0.018 12 0 "[ . 1 . 2 ]" 1 534 1 75 THR HA 1 101 LEU HB2 3.100 . 4.030 2.893 2.330 3.491 . 0 0 "[ . 1 . 2 ]" 1 535 1 75 THR HB 1 101 LEU HB3 3.600 . 4.680 4.367 3.517 4.698 0.018 6 0 "[ . 1 . 2 ]" 1 536 1 75 THR HB 1 101 LEU HB2 3.600 . 4.680 4.227 3.523 4.697 0.017 2 0 "[ . 1 . 2 ]" 1 537 1 75 THR HA 1 102 ALA MB 4.200 . 5.460 4.252 4.110 4.503 . 0 0 "[ . 1 . 2 ]" 1 538 1 75 THR HB 1 102 ALA MB 3.500 . 4.550 4.003 3.676 4.274 . 0 0 "[ . 1 . 2 ]" 1 539 1 45 ILE MG 1 77 GLU HA 3.500 . 4.550 4.267 4.028 4.466 . 0 0 "[ . 1 . 2 ]" 1 540 1 77 GLU HA 1 78 ALA MB 2.900 . 3.770 3.865 3.840 3.907 0.137 16 0 "[ . 1 . 2 ]" 1 541 1 14 PHE QE 1 83 LEU QB 3.200 . 4.160 2.299 1.990 2.503 . 0 0 "[ . 1 . 2 ]" 1 542 1 44 THR MG 1 80 VAL HA 3.500 . 4.550 4.291 4.209 4.536 . 0 0 "[ . 1 . 2 ]" 1 543 1 43 TYR HB3 1 81 THR HA 2.800 . 3.640 3.789 3.724 3.841 0.201 6 0 "[ . 1 . 2 ]" 1 544 1 43 TYR HB2 1 81 THR HA 2.500 . 3.250 3.282 3.156 3.323 0.073 12 0 "[ . 1 . 2 ]" 1 545 1 72 TRP HH2 1 81 THR HB 3.000 . 3.900 4.029 3.969 4.173 0.273 19 0 "[ . 1 . 2 ]" 1 546 1 72 TRP HZ2 1 81 THR HB 3.000 . 3.900 3.911 3.745 4.008 0.108 18 0 "[ . 1 . 2 ]" 1 547 1 81 THR HB 1 99 PHE QD 3.100 . 4.030 4.000 3.534 4.098 0.068 14 0 "[ . 1 . 2 ]" 1 548 1 81 THR HB 1 99 PHE QE 2.800 . 3.640 2.667 1.969 3.386 . 0 0 "[ . 1 . 2 ]" 1 549 1 82 VAL HA 1 96 SER QB 3.000 . 3.900 2.668 2.310 3.189 . 0 0 "[ . 1 . 2 ]" 1 550 1 14 PHE QD 1 83 LEU HG 3.500 . 4.550 4.863 4.813 4.958 0.408 9 0 "[ . 1 . 2 ]" 1 551 1 14 PHE QE 1 83 LEU HG 3.000 . 3.900 3.413 3.340 3.510 . 0 0 "[ . 1 . 2 ]" 1 552 1 84 GLU HA 1 94 SER QB 3.000 . 3.900 3.288 2.946 3.537 . 0 0 "[ . 1 . 2 ]" 1 553 1 40 THR HB 1 84 GLU HB3 2.800 . 3.640 3.670 3.252 3.771 0.131 16 0 "[ . 1 . 2 ]" 1 554 1 82 VAL QG 1 84 GLU HB3 3.400 . 4.420 4.535 4.465 4.586 0.166 13 0 "[ . 1 . 2 ]" 1 555 1 84 GLU HB3 1 86 PHE QE 3.200 . 4.160 3.332 1.754 3.734 0.046 1 0 "[ . 1 . 2 ]" 1 556 1 84 GLU HB3 1 86 PHE HZ 2.900 . 3.770 3.146 2.698 3.799 0.029 1 0 "[ . 1 . 2 ]" 1 557 1 40 THR HB 1 84 GLU HB2 2.800 . 3.640 3.280 2.816 3.672 0.032 22 0 "[ . 1 . 2 ]" 1 558 1 82 VAL QG 1 84 GLU HB2 3.300 . 4.290 3.660 3.467 3.968 . 0 0 "[ . 1 . 2 ]" 1 559 1 84 GLU HB2 1 86 PHE QE 3.200 . 4.160 4.102 2.683 4.256 0.096 6 0 "[ . 1 . 2 ]" 1 560 1 84 GLU HB2 1 86 PHE HZ 2.900 . 3.770 3.823 3.800 3.903 0.133 1 0 "[ . 1 . 2 ]" 1 561 1 82 VAL QG 1 84 GLU HG3 2.900 . 3.770 2.245 1.906 2.625 . 0 0 "[ . 1 . 2 ]" 1 562 1 84 GLU HG3 1 94 SER QB 3.100 . 4.030 2.287 1.817 3.317 . 0 0 "[ . 1 . 2 ]" 1 563 1 82 VAL QG 1 84 GLU HG2 2.900 . 3.770 3.428 2.608 3.802 0.032 14 0 "[ . 1 . 2 ]" 1 564 1 84 GLU HG2 1 94 SER QB 3.100 . 4.030 1.899 1.750 2.118 0.050 20 0 "[ . 1 . 2 ]" 1 565 1 86 PHE HA 1 90 THR MG 3.200 . 4.160 4.347 4.311 4.366 0.206 16 0 "[ . 1 . 2 ]" 1 566 1 87 SER HA 1 93 PHE QE 3.300 . 4.290 4.523 4.460 4.582 0.292 22 0 "[ . 1 . 2 ]" 1 567 1 91 THR HA 1 92 LEU HB3 2.900 . 3.770 4.042 4.021 4.067 0.297 20 0 "[ . 1 . 2 ]" 1 568 1 82 VAL QG 1 94 SER HA 3.300 . 4.290 3.462 3.016 3.707 . 0 0 "[ . 1 . 2 ]" 1 569 1 84 GLU HB3 1 94 SER HA 3.000 . 3.900 3.869 3.532 4.079 0.179 11 0 "[ . 1 . 2 ]" 1 570 1 84 GLU HB2 1 94 SER HA 3.000 . 3.900 4.176 4.105 4.279 0.379 10 0 "[ . 1 . 2 ]" 1 571 1 84 GLU HG3 1 94 SER HA 2.900 . 3.770 2.591 2.086 3.717 . 0 0 "[ . 1 . 2 ]" 1 572 1 84 GLU HG2 1 94 SER HA 2.900 . 3.770 2.520 1.888 3.124 . 0 0 "[ . 1 . 2 ]" 1 573 1 93 PHE QD 1 94 SER HA 3.000 . 3.900 3.874 3.631 3.927 0.027 7 0 "[ . 1 . 2 ]" 1 574 1 82 VAL QG 1 94 SER HB3 2.800 . 3.640 3.278 2.819 3.821 0.181 18 0 "[ . 1 . 2 ]" 1 575 1 82 VAL QG 1 94 SER HB2 2.800 . 3.640 3.684 3.181 3.818 0.178 21 0 "[ . 1 . 2 ]" 1 576 1 14 PHE QE 1 95 CYS HB3 3.400 . 4.420 3.757 2.685 4.460 0.040 16 0 "[ . 1 . 2 ]" 1 577 1 14 PHE QE 1 95 CYS HB2 3.400 . 4.420 2.887 2.224 3.176 . 0 0 "[ . 1 . 2 ]" 1 578 1 14 PHE QE 1 96 SER HA 3.200 . 4.160 2.700 2.023 4.156 . 0 0 "[ . 1 . 2 ]" 1 579 1 82 VAL MG2 1 96 SER HA 2.600 . 3.380 3.071 2.537 3.361 . 0 0 "[ . 1 . 2 ]" 1 580 1 82 VAL QG 1 96 SER HB3 2.900 . 3.770 2.236 1.806 3.341 . 0 0 "[ . 1 . 2 ]" 1 581 1 82 VAL QG 1 96 SER HB2 2.800 . 3.640 2.238 1.799 3.224 0.001 10 0 "[ . 1 . 2 ]" 1 582 1 14 PHE QD 1 97 HIS HB3 3.400 . 4.420 2.068 1.886 2.547 . 0 0 "[ . 1 . 2 ]" 1 583 1 97 HIS HB3 1 99 PHE QE 3.300 . 4.290 2.424 2.080 3.630 . 0 0 "[ . 1 . 2 ]" 1 584 1 14 PHE QD 1 97 HIS HB2 3.400 . 4.420 2.490 1.800 3.014 . 0 0 "[ . 1 . 2 ]" 1 585 1 97 HIS HB2 1 99 PHE QE 3.500 . 4.550 4.050 3.755 4.626 0.076 19 0 "[ . 1 . 2 ]" 1 586 1 80 VAL QG 1 98 ASN HB3 3.700 . 4.810 2.428 2.007 3.667 . 0 0 "[ . 1 . 2 ]" 1 587 1 80 VAL QG 1 98 ASN HB2 3.800 . 4.940 3.124 2.450 3.813 . 0 0 "[ . 1 . 2 ]" 1 588 1 100 TRP HA 1 103 ILE HB 3.100 . 4.030 4.124 4.090 4.181 0.151 15 0 "[ . 1 . 2 ]" 1 589 1 100 TRP QB 1 103 ILE HB 2.800 . 3.640 2.204 1.952 2.399 . 0 0 "[ . 1 . 2 ]" 1 590 1 100 TRP QB 1 103 ILE QG 3.200 . 4.160 2.928 2.780 3.082 . 0 0 "[ . 1 . 2 ]" 1 591 1 18 LEU HB2 1 107 PHE HA 2.700 . 3.510 3.514 3.358 3.605 0.095 11 0 "[ . 1 . 2 ]" 1 592 1 18 LEU HB3 1 107 PHE HA 2.700 . 3.510 2.411 2.001 2.901 . 0 0 "[ . 1 . 2 ]" 1 593 1 11 SER QB 1 13 THR MG 3.900 . 5.070 4.428 3.919 5.148 0.078 22 0 "[ . 1 . 2 ]" 1 594 1 13 THR MG 1 15 LYS QE 3.200 . 4.160 4.082 3.742 4.192 0.032 8 0 "[ . 1 . 2 ]" 1 595 1 13 THR MG 1 15 LYS QB 3.000 . 3.900 3.898 3.586 4.003 0.103 22 0 "[ . 1 . 2 ]" 1 596 1 13 THR MG 1 28 GLU HB3 3.400 2.200 4.420 4.054 3.524 4.433 0.013 19 0 "[ . 1 . 2 ]" 1 597 1 13 THR MG 1 28 GLU HB2 3.400 . 4.420 3.593 3.105 3.734 . 0 0 "[ . 1 . 2 ]" 1 598 1 13 THR MG 1 28 GLU QG 3.600 . 4.680 4.295 4.032 4.427 . 0 0 "[ . 1 . 2 ]" 1 599 1 16 ILE MD 1 23 SER HA 3.100 . 4.030 4.037 3.218 4.155 0.125 6 0 "[ . 1 . 2 ]" 1 600 1 16 ILE MD 1 25 LEU HA 2.900 . 3.770 3.564 1.967 3.758 . 0 0 "[ . 1 . 2 ]" 1 601 1 16 ILE MD 1 25 LEU HB3 2.900 2.400 3.590 2.245 2.222 2.277 0.178 1 0 "[ . 1 . 2 ]" 1 602 1 16 ILE MD 1 25 LEU HB2 2.900 . 3.770 3.108 2.915 3.233 . 0 0 "[ . 1 . 2 ]" 1 603 1 16 ILE MD 1 72 TRP HE3 3.600 . 4.680 2.643 2.468 3.450 . 0 0 "[ . 1 . 2 ]" 1 604 1 16 ILE MD 1 72 TRP HH2 3.300 . 4.290 3.025 2.646 4.182 . 0 0 "[ . 1 . 2 ]" 1 605 1 16 ILE MD 1 72 TRP HZ2 3.500 . 4.550 2.112 1.929 3.117 . 0 0 "[ . 1 . 2 ]" 1 606 1 16 ILE MD 1 68 LEU MD1 4.200 . 5.460 2.159 1.904 2.566 . 0 0 "[ . 1 . 2 ]" 1 607 1 16 ILE MD 1 68 LEU MD2 3.400 . 4.420 3.393 3.053 3.658 . 0 0 "[ . 1 . 2 ]" 1 608 1 16 ILE MD 1 99 PHE HZ 3.200 . 4.160 4.316 4.246 4.464 0.304 19 0 "[ . 1 . 2 ]" 1 609 1 16 ILE MD 1 101 LEU MD1 3.500 . 4.550 3.683 3.406 4.562 0.012 19 0 "[ . 1 . 2 ]" 1 610 1 16 ILE MD 1 101 LEU MD2 3.500 . 4.550 1.955 1.730 2.901 0.070 14 0 "[ . 1 . 2 ]" 1 611 1 18 LEU QD 1 101 LEU QB 2.900 . 3.770 3.858 3.828 3.938 0.168 2 0 "[ . 1 . 2 ]" 1 612 1 18 LEU QD 1 105 MET QB 3.300 . 4.290 2.849 1.825 3.587 . 0 0 "[ . 1 . 2 ]" 1 613 1 18 LEU QD 1 21 PHE QB 3.000 . 3.900 3.331 3.008 3.499 . 0 0 "[ . 1 . 2 ]" 1 614 1 24 ILE MG 1 26 SER HB3 3.100 . 4.030 3.579 3.342 4.057 0.027 13 0 "[ . 1 . 2 ]" 1 615 1 24 ILE MG 1 26 SER HB2 3.500 . 4.550 4.698 4.567 4.781 0.231 11 0 "[ . 1 . 2 ]" 1 616 1 24 ILE MG 1 65 PHE HB3 3.200 . 4.160 4.138 3.937 4.290 0.130 13 0 "[ . 1 . 2 ]" 1 617 1 24 ILE MG 1 65 PHE HB2 3.200 . 4.160 2.749 2.661 2.927 . 0 0 "[ . 1 . 2 ]" 1 618 1 16 ILE MD 1 25 LEU QD 3.800 . 4.940 2.675 2.550 3.132 . 0 0 "[ . 1 . 2 ]" 1 619 1 25 LEU QD 1 68 LEU QB 3.000 . 3.900 3.447 3.242 3.588 . 0 0 "[ . 1 . 2 ]" 1 620 1 25 LEU QD 1 68 LEU MD2 4.200 . 5.460 1.902 1.760 2.015 0.040 4 0 "[ . 1 . 2 ]" 1 621 1 25 LEU QD 1 72 TRP HZ2 3.700 . 4.810 2.070 1.912 2.213 . 0 0 "[ . 1 . 2 ]" 1 622 1 25 LEU QD 1 79 TYR QE 4.000 . 5.200 5.434 5.324 5.548 0.348 14 0 "[ . 1 . 2 ]" 1 623 1 25 LEU QD 1 81 THR HA 3.700 . 4.810 4.522 4.097 4.788 . 0 0 "[ . 1 . 2 ]" 1 624 1 25 LEU QD 1 81 THR HB 3.900 . 5.070 3.255 2.693 3.562 . 0 0 "[ . 1 . 2 ]" 1 625 1 25 LEU QD 1 99 PHE QD 4.100 . 4.290 3.793 3.477 3.969 . 0 0 "[ . 1 . 2 ]" 1 626 1 11 SER QB 1 29 LEU QD 3.800 . 4.940 4.883 4.424 5.263 0.323 8 0 "[ . 1 . 2 ]" 1 627 1 12 CYS HA 1 29 LEU QD 2.900 . 3.770 2.625 1.778 3.003 0.022 8 0 "[ . 1 . 2 ]" 1 628 1 27 TRP HD1 1 29 LEU QD 3.200 . 4.160 1.957 1.689 2.166 0.111 8 0 "[ . 1 . 2 ]" 1 629 1 27 TRP HE3 1 29 LEU QD 3.000 . 3.900 4.100 4.036 4.194 0.294 8 0 "[ . 1 . 2 ]" 1 630 1 27 TRP HZ2 1 29 LEU QD 3.000 . 3.900 4.047 3.899 4.249 0.349 20 0 "[ . 1 . 2 ]" 1 631 1 29 LEU QD 1 39 TYR QE 2.900 . 3.770 2.181 1.844 2.584 . 0 0 "[ . 1 . 2 ]" 1 632 1 29 LEU QD 1 83 LEU QD 3.900 . 5.070 1.688 1.619 1.745 0.181 22 0 "[ . 1 . 2 ]" 1 633 1 37 THR MG 1 38 HIS HA 2.700 . 3.510 3.502 3.384 3.810 0.300 20 0 "[ . 1 . 2 ]" 1 634 1 40 THR MG 1 42 LEU HA 3.900 . 5.070 3.898 3.720 4.031 . 0 0 "[ . 1 . 2 ]" 1 635 1 40 THR MG 1 42 LEU QB 2.700 . 3.510 3.725 3.565 3.791 0.281 8 0 "[ . 1 . 2 ]" 1 636 1 40 THR MG 1 42 LEU QD 3.400 . 4.420 1.732 1.704 1.859 0.096 6 0 "[ . 1 . 2 ]" 1 637 1 40 THR MG 1 54 VAL HB 3.400 . 4.420 2.156 1.803 3.679 . 0 0 "[ . 1 . 2 ]" 1 638 1 40 THR MG 1 54 VAL MG1 3.100 . 4.030 3.080 2.755 4.037 0.007 11 0 "[ . 1 . 2 ]" 1 639 1 40 THR MG 1 54 VAL MG2 3.100 2.100 3.940 2.484 1.883 2.926 0.217 11 0 "[ . 1 . 2 ]" 1 640 1 40 THR MG 1 59 ALA HA 2.600 . 3.380 2.404 1.957 3.230 . 0 0 "[ . 1 . 2 ]" 1 641 1 41 LEU QD 1 81 THR HB 3.600 . 4.680 3.517 2.930 4.122 . 0 0 "[ . 1 . 2 ]" 1 642 1 41 LEU QD 1 81 THR MG 3.800 . 4.940 2.242 1.790 2.979 0.010 11 0 "[ . 1 . 2 ]" 1 643 1 41 LEU QD 1 66 CYS HB3 3.100 . 4.030 2.799 1.912 3.434 . 0 0 "[ . 1 . 2 ]" 1 644 1 41 LEU QD 1 66 CYS HB2 3.100 . 4.030 3.596 1.965 4.051 0.021 15 0 "[ . 1 . 2 ]" 1 645 1 41 LEU QD 1 58 CYS QB 3.300 . 4.290 3.279 2.722 3.809 . 0 0 "[ . 1 . 2 ]" 1 646 1 42 LEU QD 1 54 VAL HA 2.800 . 3.640 2.310 1.591 2.746 0.209 11 0 "[ . 1 . 2 ]" 1 647 1 42 LEU QD 1 54 VAL HB 3.100 . 4.030 1.777 1.611 1.810 0.189 11 0 "[ . 1 . 2 ]" 1 648 1 42 LEU QD 1 82 VAL HB 3.000 . 3.900 2.740 2.342 3.629 . 0 0 "[ . 1 . 2 ]" 1 649 1 40 THR HB 1 42 LEU QD 2.900 . 3.770 3.343 3.052 3.760 . 0 0 "[ . 1 . 2 ]" 1 650 1 42 LEU QD 1 54 VAL QG 3.200 . 4.160 1.824 1.744 2.312 0.056 13 0 "[ . 1 . 2 ]" 1 651 1 42 LEU QD 1 83 LEU HA 3.600 . 4.680 3.008 2.840 4.386 . 0 0 "[ . 1 . 2 ]" 1 652 1 42 LEU QD 1 84 GLU HA 3.600 . 4.680 3.708 3.521 4.671 . 0 0 "[ . 1 . 2 ]" 1 653 1 42 LEU QD 1 84 GLU HB3 2.300 . 2.990 3.100 3.039 3.210 0.220 11 0 "[ . 1 . 2 ]" 1 654 1 42 LEU QD 1 84 GLU HB2 2.700 . 3.510 1.813 1.762 2.080 0.038 4 0 "[ . 1 . 2 ]" 1 655 1 42 LEU QD 1 84 GLU QG 3.300 . 4.290 2.487 1.766 3.544 0.034 20 0 "[ . 1 . 2 ]" 1 656 1 44 THR MG 1 80 VAL HB 2.500 . 3.250 2.741 2.656 2.941 . 0 0 "[ . 1 . 2 ]" 1 657 1 44 THR MG 1 80 VAL QG 2.900 . 3.770 1.712 1.678 1.749 0.122 11 0 "[ . 1 . 2 ]" 1 658 1 44 THR MG 1 46 MET HA 2.800 . 3.640 3.168 3.081 3.229 . 0 0 "[ . 1 . 2 ]" 1 659 1 44 THR MG 1 52 LEU QD 2.900 . 3.770 1.873 1.784 1.942 0.016 10 0 "[ . 1 . 2 ]" 1 660 1 44 THR MG 1 52 LEU HG 3.000 . 3.900 1.946 1.885 2.103 . 0 0 "[ . 1 . 2 ]" 1 661 1 43 TYR QE 1 45 ILE MG 3.600 . 4.680 4.730 4.716 4.749 0.069 15 0 "[ . 1 . 2 ]" 1 662 1 45 ILE MG 1 77 GLU QB 2.900 . 3.770 1.958 1.799 2.095 0.001 13 0 "[ . 1 . 2 ]" 1 663 1 45 ILE MG 1 77 GLU QG 3.400 . 4.420 2.393 1.944 2.745 . 0 0 "[ . 1 . 2 ]" 1 664 1 45 ILE MG 1 78 ALA HA 3.500 . 4.550 4.678 4.644 4.719 0.169 5 0 "[ . 1 . 2 ]" 1 665 1 45 ILE MG 1 79 TYR HA 3.000 . 3.900 2.594 2.345 2.905 . 0 0 "[ . 1 . 2 ]" 1 666 1 45 ILE MG 1 79 TYR HE1 3.200 . 4.160 3.203 2.545 3.768 . 0 0 "[ . 1 . 2 ]" 1 667 1 46 MET ME 1 100 TRP HZ2 3.800 . 4.940 3.969 3.358 4.942 0.002 13 0 "[ . 1 . 2 ]" 1 668 1 46 MET ME 1 100 TRP HZ3 4.600 . 5.980 5.020 2.612 5.993 0.013 5 0 "[ . 1 . 2 ]" 1 669 1 46 MET ME 1 78 ALA MB 3.700 . 4.160 2.273 1.800 4.069 . 0 0 "[ . 1 . 2 ]" 1 670 1 46 MET ME 1 80 VAL QG 4.100 . 5.330 3.487 2.156 3.977 . 0 0 "[ . 1 . 2 ]" 1 671 1 46 MET ME 1 98 ASN HA 4.600 . 5.980 5.063 4.024 5.983 0.003 15 0 "[ . 1 . 2 ]" 1 672 1 43 TYR HA 1 52 LEU MD1 3.200 . 4.160 4.158 4.047 4.198 0.038 22 0 "[ . 1 . 2 ]" 1 673 1 43 TYR HA 1 52 LEU MD2 3.200 . 4.160 2.171 1.999 2.330 . 0 0 "[ . 1 . 2 ]" 1 674 1 43 TYR HB3 1 52 LEU QD 3.600 . 4.680 3.939 3.888 3.976 . 0 0 "[ . 1 . 2 ]" 1 675 1 43 TYR HB2 1 52 LEU QD 3.400 . 4.420 4.075 3.969 4.169 . 0 0 "[ . 1 . 2 ]" 1 676 1 44 THR HB 1 52 LEU QD 3.300 . 4.290 2.888 2.802 2.956 . 0 0 "[ . 1 . 2 ]" 1 677 1 52 LEU MD1 1 81 THR HA 3.300 . 4.290 4.077 3.916 4.282 . 0 0 "[ . 1 . 2 ]" 1 678 1 52 LEU MD2 1 81 THR HA 3.300 . 4.290 2.898 2.619 3.268 . 0 0 "[ . 1 . 2 ]" 1 679 1 52 LEU QD 1 81 THR HB 3.600 . 4.680 4.761 4.633 4.823 0.143 11 0 "[ . 1 . 2 ]" 1 680 1 52 LEU QD 1 82 VAL HB 2.500 . 3.250 2.087 1.856 2.384 . 0 0 "[ . 1 . 2 ]" 1 681 1 55 VAL QG 1 68 LEU QD 3.300 . 4.290 3.438 3.198 4.110 . 0 0 "[ . 1 . 2 ]" 1 682 1 42 LEU HA 1 55 VAL QG 3.200 . 4.160 3.720 3.521 3.909 . 0 0 "[ . 1 . 2 ]" 1 683 1 43 TYR QB 1 55 VAL QG 3.600 . 4.680 3.454 3.315 3.818 . 0 0 "[ . 1 . 2 ]" 1 684 1 43 TYR QD 1 55 VAL QG 3.700 . 4.810 1.858 1.768 2.026 0.032 22 0 "[ . 1 . 2 ]" 1 685 1 43 TYR QE 1 55 VAL QG 3.100 . 4.030 1.784 1.757 1.844 0.043 16 0 "[ . 1 . 2 ]" 1 686 1 53 LYS HB3 1 55 VAL QG 3.200 . 4.160 3.037 2.843 4.403 0.243 8 0 "[ . 1 . 2 ]" 1 687 1 53 LYS HB2 1 55 VAL QG 3.200 . 4.160 4.283 3.296 4.383 0.223 19 0 "[ . 1 . 2 ]" 1 688 1 53 LYS QG 1 55 VAL QG 3.200 . 4.160 3.825 2.068 4.012 . 0 0 "[ . 1 . 2 ]" 1 689 1 40 THR HA 1 59 ALA MB 3.100 . 4.030 3.474 3.440 3.532 . 0 0 "[ . 1 . 2 ]" 1 690 1 40 THR HB 1 59 ALA MB 3.500 . 4.550 4.409 4.203 4.494 . 0 0 "[ . 1 . 2 ]" 1 691 1 27 TRP HH2 1 61 THR MG 3.200 . 4.160 2.343 2.136 2.529 . 0 0 "[ . 1 . 2 ]" 1 692 1 27 TRP HZ2 1 61 THR MG 3.000 . 3.900 3.081 2.954 3.469 . 0 0 "[ . 1 . 2 ]" 1 693 1 27 TRP HZ3 1 61 THR MG 3.800 . 4.940 4.091 3.823 4.273 . 0 0 "[ . 1 . 2 ]" 1 694 1 39 TYR HA 1 61 THR MG 3.700 . 4.810 4.175 4.101 4.261 . 0 0 "[ . 1 . 2 ]" 1 695 1 39 TYR HB3 1 61 THR MG 2.900 . 3.770 3.950 3.856 4.011 0.241 1 0 "[ . 1 . 2 ]" 1 696 1 39 TYR HB2 1 61 THR MG 3.000 . 3.900 2.625 2.542 2.695 . 0 0 "[ . 1 . 2 ]" 1 697 1 39 TYR QD 1 61 THR MG 3.600 . 4.680 3.316 2.995 3.941 . 0 0 "[ . 1 . 2 ]" 1 698 1 40 THR HA 1 61 THR MG 3.400 . 4.420 3.499 3.356 3.623 . 0 0 "[ . 1 . 2 ]" 1 699 1 58 CYS HA 1 61 THR MG 2.800 . 3.640 2.250 2.116 2.861 . 0 0 "[ . 1 . 2 ]" 1 700 1 38 HIS HB3 1 62 THR MG 3.500 . 4.550 2.147 1.917 2.330 . 0 0 "[ . 1 . 2 ]" 1 701 1 38 HIS HB2 1 62 THR MG 3.300 . 4.290 3.010 2.474 3.271 . 0 0 "[ . 1 . 2 ]" 1 702 1 38 HIS HD2 1 62 THR MG 3.600 . 4.680 4.786 4.730 4.935 0.255 19 0 "[ . 1 . 2 ]" 1 703 1 24 ILE HB 1 68 LEU QD 3.100 . 4.030 4.300 4.202 4.339 0.309 2 0 "[ . 1 . 2 ]" 1 704 1 25 LEU HB3 1 68 LEU MD1 2.500 . 3.250 2.752 2.497 2.932 . 0 0 "[ . 1 . 2 ]" 1 705 1 25 LEU HB2 1 68 LEU MD1 4.000 . 5.200 4.254 4.025 4.456 . 0 0 "[ . 1 . 2 ]" 1 706 1 25 LEU QD 1 68 LEU QD 3.000 . 3.900 1.733 1.697 1.777 0.103 10 0 "[ . 1 . 2 ]" 1 707 1 68 LEU QD 1 71 GLU QG 3.800 . 4.940 4.359 4.099 4.648 . 0 0 "[ . 1 . 2 ]" 1 708 1 68 LEU QD 1 79 TYR HB3 3.800 . 4.940 4.430 4.358 4.569 . 0 0 "[ . 1 . 2 ]" 1 709 1 68 LEU QD 1 79 TYR HB2 3.500 . 4.550 4.717 4.646 4.795 0.245 6 0 "[ . 1 . 2 ]" 1 710 1 25 LEU HB3 1 68 LEU MD2 2.800 . 3.640 2.554 2.312 2.754 . 0 0 "[ . 1 . 2 ]" 1 711 1 25 LEU HB2 1 68 LEU MD2 3.000 . 3.900 3.782 3.631 3.950 0.050 18 0 "[ . 1 . 2 ]" 1 712 1 25 LEU MD1 1 68 LEU MD2 3.100 . 4.030 3.417 2.433 3.793 . 0 0 "[ . 1 . 2 ]" 1 713 1 25 LEU MD2 1 68 LEU MD2 3.300 . 4.290 1.914 1.799 2.030 0.001 4 0 "[ . 1 . 2 ]" 1 714 1 75 THR MG 1 101 LEU HB3 3.500 . 4.550 4.006 3.256 4.448 . 0 0 "[ . 1 . 2 ]" 1 715 1 75 THR MG 1 101 LEU HB2 3.500 . 4.550 4.250 3.631 4.578 0.028 13 0 "[ . 1 . 2 ]" 1 716 1 78 ALA MB 1 100 TRP HA 3.000 . 3.900 2.613 2.465 2.689 . 0 0 "[ . 1 . 2 ]" 1 717 1 78 ALA MB 1 100 TRP HB3 3.600 . 4.680 4.703 4.616 4.749 0.069 16 0 "[ . 1 . 2 ]" 1 718 1 78 ALA MB 1 100 TRP HB2 3.600 . 4.680 4.032 3.869 4.485 . 0 0 "[ . 1 . 2 ]" 1 719 1 78 ALA MB 1 100 TRP HE3 3.500 . 4.290 3.263 2.370 3.581 . 0 0 "[ . 1 . 2 ]" 1 720 1 78 ALA MB 1 100 TRP HZ3 3.600 . 4.680 3.601 2.208 4.079 . 0 0 "[ . 1 . 2 ]" 1 721 1 46 MET HA 1 78 ALA MB 3.500 . 4.550 4.394 4.071 4.573 0.023 16 0 "[ . 1 . 2 ]" 1 722 1 46 MET HB3 1 78 ALA MB 2.600 . 3.380 2.392 1.895 2.606 . 0 0 "[ . 1 . 2 ]" 1 723 1 46 MET HB2 1 78 ALA MB 2.700 . 3.510 3.027 2.176 3.626 0.116 21 0 "[ . 1 . 2 ]" 1 724 1 46 MET QG 1 78 ALA MB 2.800 . 3.640 2.679 1.842 3.645 0.005 18 0 "[ . 1 . 2 ]" 1 725 1 78 ALA MB 1 98 ASN HB3 3.300 . 4.290 3.736 2.663 4.311 0.021 2 0 "[ . 1 . 2 ]" 1 726 1 78 ALA MB 1 98 ASN HB2 3.300 . 4.290 3.344 2.656 4.326 0.036 11 0 "[ . 1 . 2 ]" 1 727 1 44 THR MG 1 80 VAL MG1 3.200 . 4.160 3.683 3.615 3.778 . 0 0 "[ . 1 . 2 ]" 1 728 1 45 ILE HA 1 80 VAL MG1 3.500 . 4.550 4.520 4.366 4.607 0.057 15 0 "[ . 1 . 2 ]" 1 729 1 46 MET HA 1 80 VAL MG1 2.600 . 3.380 2.623 2.245 2.867 . 0 0 "[ . 1 . 2 ]" 1 730 1 46 MET HB3 1 80 VAL MG1 2.600 . 3.380 3.018 2.367 3.482 0.102 11 0 "[ . 1 . 2 ]" 1 731 1 46 MET HB2 1 80 VAL MG1 3.100 . 4.030 2.898 1.919 4.026 . 0 0 "[ . 1 . 2 ]" 1 732 1 46 MET ME 1 80 VAL MG1 3.200 . 4.160 3.612 2.170 4.184 0.024 9 0 "[ . 1 . 2 ]" 1 733 1 46 MET QG 1 80 VAL MG1 2.700 . 3.510 3.577 3.402 3.639 0.129 10 0 "[ . 1 . 2 ]" 1 734 1 80 VAL MG1 1 98 ASN HA 3.100 . 4.030 1.905 1.859 1.998 . 0 0 "[ . 1 . 2 ]" 1 735 1 44 THR HA 1 80 VAL MG2 3.500 . 4.550 4.009 3.933 4.108 . 0 0 "[ . 1 . 2 ]" 1 736 1 45 ILE HA 1 80 VAL MG2 3.500 . 4.550 2.713 2.582 2.815 . 0 0 "[ . 1 . 2 ]" 1 737 1 46 MET HA 1 80 VAL MG2 2.900 . 3.770 1.969 1.855 2.181 . 0 0 "[ . 1 . 2 ]" 1 738 1 46 MET HB3 1 80 VAL MG2 2.600 . 3.380 3.287 2.888 3.505 0.125 2 0 "[ . 1 . 2 ]" 1 739 1 80 VAL MG2 1 98 ASN HA 3.400 . 4.420 4.154 3.959 4.296 . 0 0 "[ . 1 . 2 ]" 1 740 1 25 LEU HB2 1 81 THR MG 3.400 . 4.420 4.240 3.486 4.452 0.032 4 0 "[ . 1 . 2 ]" 1 741 1 25 LEU MD1 1 81 THR MG 3.000 . 3.900 2.292 1.751 2.805 0.049 4 0 "[ . 1 . 2 ]" 1 742 1 25 LEU MD2 1 81 THR MG 3.200 . 4.160 2.046 1.791 3.519 0.009 7 0 "[ . 1 . 2 ]" 1 743 1 43 TYR HB3 1 81 THR MG 3.300 . 4.290 1.974 1.836 2.560 . 0 0 "[ . 1 . 2 ]" 1 744 1 43 TYR HB2 1 81 THR MG 3.300 . 4.290 1.803 1.692 2.072 0.108 8 0 "[ . 1 . 2 ]" 1 745 1 43 TYR QD 1 81 THR MG 3.600 . 4.680 3.550 3.443 3.854 . 0 0 "[ . 1 . 2 ]" 1 746 1 72 TRP HZ3 1 81 THR MG 4.200 . 5.460 4.807 3.719 5.373 . 0 0 "[ . 1 . 2 ]" 1 747 1 72 TRP HZ2 1 81 THR MG 2.800 . 3.640 1.732 1.633 1.781 0.167 12 0 "[ . 1 . 2 ]" 1 748 1 72 TRP HH2 1 81 THR MG 2.800 . 3.640 2.845 1.737 3.417 0.063 18 0 "[ . 1 . 2 ]" 1 749 1 79 TYR QE 1 81 THR MG 3.900 . 5.070 5.282 5.160 5.355 0.285 13 0 "[ . 1 . 2 ]" 1 750 1 81 THR MG 1 99 PHE QD 3.700 . 4.810 3.993 1.794 4.462 0.006 18 0 "[ . 1 . 2 ]" 1 751 1 81 THR MG 1 99 PHE QE 3.400 . 4.420 3.458 1.849 3.708 . 0 0 "[ . 1 . 2 ]" 1 752 1 81 THR MG 1 99 PHE HZ 2.900 . 3.770 3.866 3.810 3.928 0.158 19 0 "[ . 1 . 2 ]" 1 753 1 27 TRP HD1 1 83 LEU MD1 3.700 . 4.550 4.736 4.687 4.780 0.230 11 0 "[ . 1 . 2 ]" 1 754 1 27 TRP HH2 1 83 LEU MD1 3.600 . 4.680 3.378 3.024 3.622 . 0 0 "[ . 1 . 2 ]" 1 755 1 39 TYR HB3 1 83 LEU MD1 3.400 . 4.420 2.152 1.985 2.504 . 0 0 "[ . 1 . 2 ]" 1 756 1 39 TYR HB2 1 83 LEU MD1 3.400 . 4.420 3.042 2.880 3.304 . 0 0 "[ . 1 . 2 ]" 1 757 1 39 TYR QD 1 83 LEU MD1 3.500 . 4.550 3.436 2.442 3.884 . 0 0 "[ . 1 . 2 ]" 1 758 1 41 LEU HA 1 83 LEU MD1 3.100 . 4.030 2.133 1.927 2.296 . 0 0 "[ . 1 . 2 ]" 1 759 1 41 LEU HB3 1 83 LEU MD1 3.400 . 4.420 4.177 4.014 4.306 . 0 0 "[ . 1 . 2 ]" 1 760 1 41 LEU HB2 1 83 LEU MD1 3.700 . 4.810 3.047 2.776 3.182 . 0 0 "[ . 1 . 2 ]" 1 761 1 41 LEU MD1 1 83 LEU MD1 3.100 . 4.030 3.468 1.784 4.039 0.016 1 0 "[ . 1 . 2 ]" 1 762 1 41 LEU HG 1 83 LEU MD1 3.300 . 4.290 4.027 3.293 4.314 0.024 19 0 "[ . 1 . 2 ]" 1 763 1 83 LEU MD1 1 93 PHE HZ 3.100 . 4.030 4.123 4.083 4.185 0.155 19 0 "[ . 1 . 2 ]" 1 764 1 27 TRP HD1 1 83 LEU MD2 3.400 . 4.420 3.448 3.131 3.527 . 0 0 "[ . 1 . 2 ]" 1 765 1 39 TYR HB3 1 83 LEU MD2 3.400 . 4.420 3.643 3.548 3.818 . 0 0 "[ . 1 . 2 ]" 1 766 1 39 TYR HB2 1 83 LEU MD2 3.400 . 4.360 4.514 4.477 4.573 0.213 20 0 "[ . 1 . 2 ]" 1 767 1 39 TYR QD 1 83 LEU MD2 3.500 . 4.550 3.918 2.392 4.340 . 0 0 "[ . 1 . 2 ]" 1 768 1 41 LEU QD 1 83 LEU MD2 3.600 . 4.680 3.010 2.859 3.311 . 0 0 "[ . 1 . 2 ]" 1 769 1 83 LEU MD2 1 93 PHE QE 3.200 . 4.160 2.207 1.922 2.555 . 0 0 "[ . 1 . 2 ]" 1 770 1 83 LEU MD2 1 93 PHE HZ 2.800 . 3.640 3.653 3.410 3.739 0.099 22 0 "[ . 1 . 2 ]" 1 771 1 83 LEU MD2 1 95 CYS QB 3.700 . 4.810 4.460 3.637 4.850 0.040 13 0 "[ . 1 . 2 ]" 1 772 1 87 SER QB 1 90 THR MG 4.000 . 5.200 3.787 3.296 4.518 . 0 0 "[ . 1 . 2 ]" 1 773 1 86 PHE HA 1 91 THR MG 3.200 . 4.160 3.174 3.033 3.703 . 0 0 "[ . 1 . 2 ]" 1 774 1 86 PHE QD 1 91 THR MG 4.100 . 4.680 2.053 1.764 2.367 0.036 20 0 "[ . 1 . 2 ]" 1 775 1 86 PHE QE 1 91 THR MG 3.900 . 5.070 1.970 1.868 2.393 . 0 0 "[ . 1 . 2 ]" 1 776 1 86 PHE HZ 1 91 THR MG 3.500 . 4.550 3.734 3.341 4.253 . 0 0 "[ . 1 . 2 ]" 1 777 1 87 SER HB3 1 92 LEU QD 3.200 2.300 4.010 3.101 2.245 3.549 0.055 22 0 "[ . 1 . 2 ]" 1 778 1 87 SER HB2 1 92 LEU QD 3.400 . 4.420 2.506 1.877 3.443 . 0 0 "[ . 1 . 2 ]" 1 779 1 72 TRP HB3 1 101 LEU MD1 3.100 . 4.030 2.700 2.468 2.905 . 0 0 "[ . 1 . 2 ]" 1 780 1 72 TRP HB2 1 101 LEU MD1 3.100 . 4.030 4.057 3.901 4.114 0.084 6 0 "[ . 1 . 2 ]" 1 781 1 72 TRP HB3 1 101 LEU MD2 3.100 . 4.030 2.974 2.714 3.435 . 0 0 "[ . 1 . 2 ]" 1 782 1 72 TRP HB2 1 101 LEU MD2 3.100 . 4.030 3.648 3.420 4.039 0.009 14 0 "[ . 1 . 2 ]" 1 783 1 72 TRP HA 1 101 LEU QD 3.700 . 4.810 4.293 4.067 4.505 . 0 0 "[ . 1 . 2 ]" 1 784 1 99 PHE QB 1 101 LEU QD 3.200 . 4.160 2.805 2.544 2.971 . 0 0 "[ . 1 . 2 ]" 1 785 1 76 HIS HA 1 102 ALA MB 3.800 . 4.940 2.103 1.837 2.494 . 0 0 "[ . 1 . 2 ]" 1 786 1 77 GLU HA 1 102 ALA MB 3.200 . 4.160 4.293 4.251 4.330 0.170 5 0 "[ . 1 . 2 ]" 1 787 1 100 TRP HA 1 103 ILE MD 3.700 . 4.810 4.260 3.220 4.825 0.015 8 0 "[ . 1 . 2 ]" 1 788 1 100 TRP QB 1 103 ILE MD 3.200 . 4.160 3.511 2.835 3.931 . 0 0 "[ . 1 . 2 ]" 1 789 1 100 TRP QB 1 103 ILE MG 3.300 . 4.290 3.005 2.827 3.183 . 0 0 "[ . 1 . 2 ]" 1 790 1 18 LEU HA 1 105 MET ME 3.800 . 4.940 4.902 4.554 5.016 0.076 4 0 "[ . 1 . 2 ]" 1 791 1 23 SER HA 1 105 MET ME 3.600 . 4.680 4.541 4.204 4.719 0.039 12 0 "[ . 1 . 2 ]" 1 792 1 23 SER QB 1 105 MET ME 3.900 . 5.070 3.889 3.221 4.281 . 0 0 "[ . 1 . 2 ]" 1 793 1 14 PHE QD 1 83 LEU MD1 3.300 . 4.290 4.370 4.325 4.431 0.141 19 0 "[ . 1 . 2 ]" 1 794 1 14 PHE QD 1 83 LEU MD2 3.300 . 4.290 2.148 2.080 2.418 . 0 0 "[ . 1 . 2 ]" 1 795 1 14 PHE QE 1 83 LEU MD1 3.500 . 4.550 4.094 3.976 4.153 . 0 0 "[ . 1 . 2 ]" 1 796 1 14 PHE QE 1 83 LEU MD2 3.100 . 4.030 1.752 1.720 1.767 0.080 21 0 "[ . 1 . 2 ]" 1 797 1 27 TRP HD1 1 28 GLU HA 3.100 . 4.030 3.372 2.970 3.636 . 0 0 "[ . 1 . 2 ]" 1 798 1 27 TRP HD1 1 29 LEU MD1 3.200 . 4.160 2.102 1.864 2.386 . 0 0 "[ . 1 . 2 ]" 1 799 1 27 TRP HD1 1 29 LEU MD2 3.200 . 4.160 2.435 1.834 4.193 0.033 22 0 "[ . 1 . 2 ]" 1 800 1 27 TRP HD1 1 64 SER HA 3.400 . 4.420 4.305 4.205 4.437 0.017 20 0 "[ . 1 . 2 ]" 1 801 1 27 TRP HD1 1 64 SER HB3 3.400 . 4.420 4.511 4.428 4.568 0.148 17 0 "[ . 1 . 2 ]" 1 802 1 27 TRP HD1 1 64 SER HB2 3.400 . 4.420 3.222 3.062 3.393 . 0 0 "[ . 1 . 2 ]" 1 803 1 27 TRP HH2 1 83 LEU QD 4.000 . 5.200 3.320 2.984 3.543 . 0 0 "[ . 1 . 2 ]" 1 804 1 27 TRP HH2 1 66 CYS HB3 3.600 . 4.680 4.600 4.205 4.798 0.118 6 0 "[ . 1 . 2 ]" 1 805 1 27 TRP HH2 1 66 CYS HB2 3.600 . 4.680 3.710 3.156 4.299 . 0 0 "[ . 1 . 2 ]" 1 806 1 27 TRP HZ2 1 39 TYR HB3 3.200 . 4.160 3.620 3.023 4.000 . 0 0 "[ . 1 . 2 ]" 1 807 1 27 TRP HZ2 1 39 TYR HB2 3.200 . 4.160 2.354 2.056 2.670 . 0 0 "[ . 1 . 2 ]" 1 808 1 27 TRP HZ3 1 66 CYS HB3 3.600 . 4.680 3.246 2.866 3.893 . 0 0 "[ . 1 . 2 ]" 1 809 1 27 TRP HZ3 1 66 CYS HB2 3.600 . 4.680 3.283 2.439 3.645 . 0 0 "[ . 1 . 2 ]" 1 810 1 27 TRP HZ3 1 83 LEU QD 4.200 . 5.460 2.486 2.322 2.808 . 0 0 "[ . 1 . 2 ]" 1 811 1 38 HIS HD2 1 60 ASN HB3 3.400 . 4.420 2.631 1.780 4.278 0.020 14 0 "[ . 1 . 2 ]" 1 812 1 38 HIS HD2 1 60 ASN HB2 3.500 . 4.550 2.507 1.955 3.816 . 0 0 "[ . 1 . 2 ]" 1 813 1 38 HIS HE1 1 86 PHE HA 3.900 . 5.070 4.428 4.004 5.160 0.090 2 0 "[ . 1 . 2 ]" 1 814 1 38 HIS HE1 1 86 PHE QB 3.700 . 4.810 2.003 1.855 2.364 . 0 0 "[ . 1 . 2 ]" 1 815 1 38 HIS HE1 1 86 PHE QD 3.600 . 4.160 3.699 2.555 4.123 . 0 0 "[ . 1 . 2 ]" 1 816 1 29 LEU MD1 1 39 TYR QE 3.100 . 4.030 3.196 2.186 4.196 0.166 8 0 "[ . 1 . 2 ]" 1 817 1 29 LEU MD2 1 39 TYR QE 3.100 . 4.030 2.908 1.848 4.053 0.023 22 0 "[ . 1 . 2 ]" 1 818 1 39 TYR QE 1 85 GLY HA3 3.600 . 4.680 3.663 3.454 4.303 . 0 0 "[ . 1 . 2 ]" 1 819 1 39 TYR QE 1 85 GLY HA2 3.600 . 4.680 4.772 4.690 4.945 0.265 20 0 "[ . 1 . 2 ]" 1 820 1 39 TYR QD 1 85 GLY HA3 3.300 . 4.290 2.114 1.800 3.618 . 0 0 "[ . 1 . 2 ]" 1 821 1 39 TYR QD 1 85 GLY HA2 3.300 . 4.290 2.762 2.419 3.720 . 0 0 "[ . 1 . 2 ]" 1 822 1 43 TYR QD 1 71 GLU QG 4.100 . 5.330 4.929 4.311 5.338 0.008 15 0 "[ . 1 . 2 ]" 1 823 1 43 TYR QD 1 79 TYR QD 2.800 . 3.640 2.216 2.069 2.447 . 0 0 "[ . 1 . 2 ]" 1 824 1 43 TYR QD 1 79 TYR QE 2.900 . 3.770 2.085 1.786 2.626 0.014 4 0 "[ . 1 . 2 ]" 1 825 1 43 TYR QE 1 71 GLU HB3 3.600 . 4.680 3.236 2.788 3.446 . 0 0 "[ . 1 . 2 ]" 1 826 1 43 TYR QE 1 71 GLU HB2 3.600 . 4.680 4.635 4.104 4.709 0.029 14 0 "[ . 1 . 2 ]" 1 827 1 43 TYR QE 1 71 GLU QG 3.400 . 4.420 3.253 2.595 3.879 . 0 0 "[ . 1 . 2 ]" 1 828 1 43 TYR QE 1 79 TYR QD 2.800 . 3.640 3.834 3.731 3.901 0.261 4 0 "[ . 1 . 2 ]" 1 829 1 43 TYR QE 1 79 TYR QE 2.900 . 3.770 1.821 1.756 2.021 0.044 16 0 "[ . 1 . 2 ]" 1 830 1 72 TRP HE3 1 101 LEU MD1 3.100 . 4.030 1.969 1.878 2.246 . 0 0 "[ . 1 . 2 ]" 1 831 1 72 TRP HE3 1 101 LEU MD2 3.100 . 4.030 1.839 1.792 1.989 0.008 18 0 "[ . 1 . 2 ]" 1 832 1 72 TRP HH2 1 101 LEU MD1 3.700 . 4.810 4.759 4.548 4.872 0.062 9 0 "[ . 1 . 2 ]" 1 833 1 72 TRP HH2 1 101 LEU MD2 3.700 . 4.810 4.676 4.209 4.830 0.020 1 0 "[ . 1 . 2 ]" 1 834 1 68 LEU QD 1 72 TRP HZ2 3.900 . 5.070 3.212 2.999 3.293 . 0 0 "[ . 1 . 2 ]" 1 835 1 43 TYR QD 1 72 TRP HD1 3.600 . 4.680 3.839 3.757 3.954 . 0 0 "[ . 1 . 2 ]" 1 836 1 43 TYR QE 1 72 TRP HD1 2.900 . 3.770 3.355 3.030 3.619 . 0 0 "[ . 1 . 2 ]" 1 837 1 68 LEU QD 1 72 TRP HD1 4.100 . 5.330 2.887 2.795 3.111 . 0 0 "[ . 1 . 2 ]" 1 838 1 71 GLU HB3 1 72 TRP HD1 3.400 . 4.420 2.576 2.426 2.808 . 0 0 "[ . 1 . 2 ]" 1 839 1 71 GLU HB2 1 72 TRP HD1 3.400 . 4.420 3.697 3.332 4.084 . 0 0 "[ . 1 . 2 ]" 1 840 1 71 GLU QG 1 72 TRP HD1 3.700 . 4.810 4.417 4.029 4.680 . 0 0 "[ . 1 . 2 ]" 1 841 1 72 TRP HD1 1 79 TYR QD 3.700 . 4.810 3.906 3.530 4.399 . 0 0 "[ . 1 . 2 ]" 1 842 1 72 TRP HD1 1 79 TYR QE 3.000 . 3.900 3.027 2.596 3.589 . 0 0 "[ . 1 . 2 ]" 1 843 1 72 TRP HA 1 79 TYR QD 2.700 . 3.510 3.722 3.655 3.758 0.248 19 0 "[ . 1 . 2 ]" 1 844 1 72 TRP QB 1 79 TYR QD 3.600 . 4.680 2.994 2.409 3.603 . 0 0 "[ . 1 . 2 ]" 1 845 1 79 TYR QD 1 101 LEU MD1 3.900 . 5.070 1.956 1.793 2.196 0.007 14 0 "[ . 1 . 2 ]" 1 846 1 79 TYR QD 1 101 LEU MD2 3.700 . 4.810 3.784 3.462 4.148 . 0 0 "[ . 1 . 2 ]" 1 847 1 75 THR HA 1 79 TYR QE 3.800 . 4.940 4.823 4.462 4.980 0.040 14 0 "[ . 1 . 2 ]" 1 848 1 79 TYR QE 1 101 LEU MD2 3.700 . 4.810 4.907 4.865 4.942 0.132 12 0 "[ . 1 . 2 ]" 1 849 1 79 TYR QE 1 101 LEU MD1 3.700 . 4.810 3.537 3.296 3.814 . 0 0 "[ . 1 . 2 ]" 1 850 1 39 TYR HA 1 86 PHE QD 2.800 . 3.640 3.481 3.121 3.920 0.280 1 0 "[ . 1 . 2 ]" 1 851 1 85 GLY QA 1 86 PHE QD 3.300 . 4.290 3.204 2.711 3.702 . 0 0 "[ . 1 . 2 ]" 1 852 1 86 PHE QD 1 91 THR HA 2.700 . 3.510 2.100 1.783 2.383 0.017 20 0 "[ . 1 . 2 ]" 1 853 1 86 PHE QD 1 91 THR HB 2.700 . 3.510 3.586 3.534 3.632 0.122 14 0 "[ . 1 . 2 ]" 1 854 1 92 LEU HB3 1 93 PHE QD 3.300 . 4.290 2.338 2.273 2.417 . 0 0 "[ . 1 . 2 ]" 1 855 1 92 LEU HB2 1 93 PHE QD 3.200 . 4.160 3.660 3.594 3.727 . 0 0 "[ . 1 . 2 ]" 1 856 1 92 LEU MD1 1 93 PHE QD 4.100 . 5.330 3.565 3.528 3.594 . 0 0 "[ . 1 . 2 ]" 1 857 1 92 LEU MD2 1 93 PHE QD 4.000 . 5.200 2.243 2.056 2.479 . 0 0 "[ . 1 . 2 ]" 1 858 1 92 LEU MD1 1 93 PHE QE 4.100 . 5.330 4.656 4.444 4.892 . 0 0 "[ . 1 . 2 ]" 1 859 1 92 LEU MD2 1 93 PHE QE 3.400 . 4.420 2.176 1.964 2.531 . 0 0 "[ . 1 . 2 ]" 1 860 1 92 LEU HB2 1 93 PHE QE 3.700 . 4.810 4.648 4.213 4.822 0.012 2 0 "[ . 1 . 2 ]" 1 861 1 92 LEU HB3 1 93 PHE QE 3.800 . 4.940 3.118 2.678 3.295 . 0 0 "[ . 1 . 2 ]" 1 862 1 29 LEU MD1 1 93 PHE QD 3.800 . 4.940 4.482 3.660 4.953 0.013 18 0 "[ . 1 . 2 ]" 1 863 1 29 LEU MD2 1 93 PHE QD 3.800 . 4.940 4.069 2.901 5.048 0.108 13 0 "[ . 1 . 2 ]" 1 864 1 97 HIS HD2 1 99 PHE QD 3.000 . 3.900 3.540 3.163 3.910 0.010 4 0 "[ . 1 . 2 ]" 1 865 1 97 HIS HD2 1 99 PHE QE 2.900 . 3.770 3.281 2.960 3.648 . 0 0 "[ . 1 . 2 ]" 1 866 1 97 HIS HD2 1 99 PHE HZ 3.200 . 4.160 4.125 3.782 4.176 0.016 14 0 "[ . 1 . 2 ]" 1 867 1 25 LEU QD 1 99 PHE HZ 3.500 . 4.550 2.565 2.072 3.151 . 0 0 "[ . 1 . 2 ]" 1 868 1 100 TRP HD1 1 103 ILE HB 3.400 . 4.420 3.494 1.887 3.958 . 0 0 "[ . 1 . 2 ]" 1 869 1 100 TRP HD1 1 103 ILE QG 3.800 . 4.940 4.110 2.168 4.947 0.007 9 0 "[ . 1 . 2 ]" 1 870 1 100 TRP HD1 1 103 ILE MD 3.700 . 4.810 3.011 2.015 3.589 . 0 0 "[ . 1 . 2 ]" 1 871 1 78 ALA MB 1 100 TRP HD1 3.800 . 4.940 4.531 4.309 4.932 . 0 0 "[ . 1 . 2 ]" 1 872 1 78 ALA HA 1 100 TRP HE3 2.900 . 3.770 3.238 2.873 3.831 0.061 20 0 "[ . 1 . 2 ]" 1 873 1 78 ALA MB 1 100 TRP HZ2 3.700 . 4.810 4.144 3.699 4.372 . 0 0 "[ . 1 . 2 ]" 1 874 1 101 LEU H 1 102 ALA H 3.200 . 4.160 2.913 2.778 3.281 . 0 0 "[ . 1 . 2 ]" 1 875 1 101 LEU QB 1 102 ALA H 3.900 . 5.070 2.005 1.957 2.106 . 0 0 "[ . 1 . 2 ]" 1 876 1 101 LEU HG 1 102 ALA H 3.300 . 4.290 4.260 3.993 4.321 0.031 16 0 "[ . 1 . 2 ]" 1 877 1 101 LEU HA 1 102 ALA H 3.600 . 4.680 3.561 3.552 3.568 . 0 0 "[ . 1 . 2 ]" 1 878 1 102 ALA H 1 103 ILE H 3.000 . 3.900 2.920 2.860 2.951 . 0 0 "[ . 1 . 2 ]" 1 879 1 102 ALA HA 1 103 ILE H 3.600 . 4.680 3.501 3.480 3.515 . 0 0 "[ . 1 . 2 ]" 1 880 1 102 ALA MB 1 103 ILE H 3.300 . 4.290 2.868 2.808 2.947 . 0 0 "[ . 1 . 2 ]" 1 881 1 101 LEU HA 1 103 ILE H 3.900 . 5.070 3.937 3.867 3.998 . 0 0 "[ . 1 . 2 ]" 1 882 1 103 ILE MD 1 104 ASP H 4.200 . 5.460 4.352 3.852 5.069 . 0 0 "[ . 1 . 2 ]" 1 883 1 103 ILE H 1 104 ASP H 2.500 . 3.250 2.195 2.132 2.248 . 0 0 "[ . 1 . 2 ]" 1 884 1 103 ILE HA 1 104 ASP H 3.400 . 4.420 3.482 3.442 3.511 . 0 0 "[ . 1 . 2 ]" 1 885 1 101 LEU HA 1 104 ASP H 3.300 . 4.290 3.003 2.915 3.071 . 0 0 "[ . 1 . 2 ]" 1 886 1 103 ILE HB 1 104 ASP H 3.000 . 3.900 3.159 3.052 3.280 . 0 0 "[ . 1 . 2 ]" 1 887 1 103 ILE QG 1 104 ASP H 4.200 . 5.460 4.563 4.288 4.756 . 0 0 "[ . 1 . 2 ]" 1 888 1 103 ILE MG 1 104 ASP H 3.800 . 4.940 3.588 3.409 3.827 . 0 0 "[ . 1 . 2 ]" 1 889 1 101 LEU HA 1 105 MET H 2.900 . 3.770 2.165 1.872 2.331 . 0 0 "[ . 1 . 2 ]" 1 890 1 104 ASP HB2 1 105 MET H 3.300 . 4.290 3.587 2.679 3.711 . 0 0 "[ . 1 . 2 ]" 1 891 1 104 ASP HB3 1 105 MET H 3.300 . 4.290 2.377 2.318 3.056 . 0 0 "[ . 1 . 2 ]" 1 892 1 101 LEU QB 1 105 MET H 3.800 . 4.940 3.611 3.417 3.820 . 0 0 "[ . 1 . 2 ]" 1 893 1 101 LEU HG 1 105 MET H 3.700 . 4.810 4.786 4.533 4.898 0.088 2 0 "[ . 1 . 2 ]" 1 894 1 104 ASP H 1 105 MET H 2.800 . 3.640 2.371 2.284 2.430 . 0 0 "[ . 1 . 2 ]" 1 895 1 105 MET HA 1 106 SER H 2.500 . 3.250 2.260 2.190 2.303 . 0 0 "[ . 1 . 2 ]" 1 896 1 16 ILE MG 1 106 SER H 3.800 . 4.940 3.295 2.731 3.785 . 0 0 "[ . 1 . 2 ]" 1 897 1 106 SER HA 1 107 PHE H 2.500 . 3.250 2.169 2.125 2.229 . 0 0 "[ . 1 . 2 ]" 1 898 1 106 SER QB 1 107 PHE H 3.300 . 4.290 3.603 2.942 3.903 . 0 0 "[ . 1 . 2 ]" 1 899 1 107 PHE HA 1 108 GLU H 2.700 . 3.510 2.227 2.114 2.318 . 0 0 "[ . 1 . 2 ]" 1 900 1 107 PHE HB3 1 108 GLU H 3.800 . 4.940 3.418 2.793 4.312 . 0 0 "[ . 1 . 2 ]" 1 901 1 107 PHE HB2 1 108 GLU H 3.800 . 4.940 4.183 2.576 4.603 . 0 0 "[ . 1 . 2 ]" 1 902 1 19 ARG HA 1 108 GLU H 3.600 . 4.680 3.858 2.479 4.297 . 0 0 "[ . 1 . 2 ]" 1 903 1 110 PRO HA 1 111 GLU H 2.500 . 3.250 2.357 2.208 2.775 . 0 0 "[ . 1 . 2 ]" 1 904 1 111 GLU H 1 126 LYS QB 3.700 . 4.810 2.807 2.537 3.740 . 0 0 "[ . 1 . 2 ]" 1 905 1 110 PRO QB 1 111 GLU H 3.100 . 4.030 2.761 2.167 3.052 . 0 0 "[ . 1 . 2 ]" 1 906 1 111 GLU HA 1 112 PHE H 2.200 . 2.860 2.366 2.242 2.520 . 0 0 "[ . 1 . 2 ]" 1 907 1 111 GLU HG2 1 112 PHE H 3.600 . 4.680 3.917 2.515 4.775 0.095 10 0 "[ . 1 . 2 ]" 1 908 1 111 GLU HG3 1 112 PHE H 3.600 . 4.680 3.051 1.803 4.773 0.093 6 0 "[ . 1 . 2 ]" 1 909 1 111 GLU QB 1 112 PHE H 3.200 . 4.160 3.186 2.300 4.059 . 0 0 "[ . 1 . 2 ]" 1 910 1 113 GLU H 1 125 VAL QG 3.800 . 4.940 4.211 3.917 4.444 . 0 0 "[ . 1 . 2 ]" 1 911 1 112 PHE HA 1 113 GLU H 2.300 . 2.990 2.106 2.046 2.181 . 0 0 "[ . 1 . 2 ]" 1 912 1 113 GLU H 1 125 VAL HA 3.300 . 4.290 3.606 3.246 3.875 . 0 0 "[ . 1 . 2 ]" 1 913 1 112 PHE HB2 1 113 GLU H 3.100 . 4.030 3.112 2.786 3.860 . 0 0 "[ . 1 . 2 ]" 1 914 1 112 PHE HB3 1 113 GLU H 3.200 . 4.160 4.205 4.038 4.293 0.133 21 0 "[ . 1 . 2 ]" 1 915 1 113 GLU HA 1 114 ILE H 2.300 . 2.990 2.460 2.295 2.617 . 0 0 "[ . 1 . 2 ]" 1 916 1 113 GLU HB2 1 114 ILE H 2.900 . 3.770 2.879 2.123 3.689 . 0 0 "[ . 1 . 2 ]" 1 917 1 113 GLU QB 1 114 ILE H 3.400 . 4.420 2.244 2.109 2.408 . 0 0 "[ . 1 . 2 ]" 1 918 1 115 VAL H 1 122 ASN HB2 3.700 . 4.810 3.241 2.639 4.143 . 0 0 "[ . 1 . 2 ]" 1 919 1 114 ILE QG 1 115 VAL H 3.700 . 4.810 4.410 4.353 4.451 . 0 0 "[ . 1 . 2 ]" 1 920 1 114 ILE HA 1 115 VAL H 2.400 . 3.120 2.134 2.095 2.211 . 0 0 "[ . 1 . 2 ]" 1 921 1 115 VAL H 1 122 ASN HB3 3.700 . 4.810 3.172 2.620 3.864 . 0 0 "[ . 1 . 2 ]" 1 922 1 114 ILE HB 1 115 VAL H 3.000 . 3.900 3.389 2.873 3.800 . 0 0 "[ . 1 . 2 ]" 1 923 1 114 ILE MG 1 115 VAL H 3.400 . 4.420 3.737 3.366 3.997 . 0 0 "[ . 1 . 2 ]" 1 924 1 115 VAL H 1 123 VAL HA 3.700 . 4.810 3.579 3.241 3.714 . 0 0 "[ . 1 . 2 ]" 1 925 1 115 VAL HA 1 116 GLY H 2.300 . 2.990 2.170 2.138 2.210 . 0 0 "[ . 1 . 2 ]" 1 926 1 115 VAL HB 1 116 GLY H 3.600 . 4.680 4.115 3.920 4.276 . 0 0 "[ . 1 . 2 ]" 1 927 1 115 VAL MG1 1 116 GLY H 30.300 . 39.390 2.490 2.116 2.703 . 0 0 "[ . 1 . 2 ]" 1 928 1 115 VAL MG2 1 116 GLY H 3.100 . 4.030 4.128 4.082 4.206 0.176 4 0 "[ . 1 . 2 ]" 1 929 1 117 PHE H 1 121 ILE HA 3.200 . 4.160 2.741 2.432 2.930 . 0 0 "[ . 1 . 2 ]" 1 930 1 116 GLY HA2 1 117 PHE H 2.900 . 3.770 2.106 2.071 2.125 . 0 0 "[ . 1 . 2 ]" 1 931 1 116 GLY HA3 1 117 PHE H 2.900 . 3.770 3.096 2.975 3.162 . 0 0 "[ . 1 . 2 ]" 1 932 1 117 PHE HA 1 118 THR H 3.200 . 4.160 2.336 2.255 2.402 . 0 0 "[ . 1 . 2 ]" 1 933 1 117 PHE QB 1 118 THR H 3.800 . 4.940 2.686 2.473 2.901 . 0 0 "[ . 1 . 2 ]" 1 934 1 117 PHE H 1 120 HIS H 3.400 . 4.420 3.421 3.244 3.608 . 0 0 "[ . 1 . 2 ]" 1 935 1 119 ASN QB 1 120 HIS H 3.700 . 4.810 3.341 2.960 3.669 . 0 0 "[ . 1 . 2 ]" 1 936 1 120 HIS HB3 1 121 ILE H 3.200 . 4.160 3.310 3.073 3.686 . 0 0 "[ . 1 . 2 ]" 1 937 1 121 ILE H 1 169 ILE MD 3.800 . 4.940 4.684 4.538 4.867 . 0 0 "[ . 1 . 2 ]" 1 938 1 121 ILE H 1 173 LEU QD 4.100 . 5.330 3.271 2.435 4.572 . 0 0 "[ . 1 . 2 ]" 1 939 1 121 ILE H 1 170 ILE MD 4.100 . 5.330 5.081 4.199 5.431 0.101 22 0 "[ . 1 . 2 ]" 1 940 1 121 ILE H 1 170 ILE HB 3.300 . 4.290 3.893 3.349 4.228 . 0 0 "[ . 1 . 2 ]" 1 941 1 120 HIS HA 1 121 ILE H 2.200 . 2.860 2.505 2.396 2.618 . 0 0 "[ . 1 . 2 ]" 1 942 1 121 ILE H 1 171 ASP HA 3.600 . 4.680 2.888 2.624 3.203 . 0 0 "[ . 1 . 2 ]" 1 943 1 115 VAL H 1 122 ASN H 3.100 . 4.030 3.404 2.871 3.707 . 0 0 "[ . 1 . 2 ]" 1 944 1 121 ILE HA 1 122 ASN H 2.300 . 2.990 2.214 2.133 2.415 . 0 0 "[ . 1 . 2 ]" 1 945 1 116 GLY QA 1 122 ASN H 4.000 . 5.200 2.740 2.347 3.265 . 0 0 "[ . 1 . 2 ]" 1 946 1 121 ILE HB 1 122 ASN H 4.000 . 5.200 3.877 3.437 4.142 . 0 0 "[ . 1 . 2 ]" 1 947 1 121 ILE MG 1 122 ASN H 3.200 . 4.160 2.292 1.850 4.268 0.108 18 0 "[ . 1 . 2 ]" 1 948 1 122 ASN H 1 169 ILE MG 4.100 . 5.330 4.384 4.120 4.521 . 0 0 "[ . 1 . 2 ]" 1 949 1 122 ASN HA 1 123 VAL H 2.200 . 2.860 2.160 2.119 2.253 . 0 0 "[ . 1 . 2 ]" 1 950 1 123 VAL H 1 169 ILE HA 3.300 . 4.290 2.685 2.492 2.944 . 0 0 "[ . 1 . 2 ]" 1 951 1 122 ASN HB2 1 123 VAL H 3.700 . 4.810 4.553 4.143 4.605 . 0 0 "[ . 1 . 2 ]" 1 952 1 122 ASN HB3 1 123 VAL H 3.800 . 4.940 3.896 3.372 4.236 . 0 0 "[ . 1 . 2 ]" 1 953 1 123 VAL H 1 169 ILE QG 4.700 . 6.110 4.411 4.187 4.565 . 0 0 "[ . 1 . 2 ]" 1 954 1 123 VAL H 1 169 ILE MG 4.200 . 5.460 4.255 3.925 4.535 . 0 0 "[ . 1 . 2 ]" 1 955 1 114 ILE HA 1 124 MET H 3.200 . 4.160 2.908 2.658 3.197 . 0 0 "[ . 1 . 2 ]" 1 956 1 114 ILE MG 1 124 MET H 4.100 . 5.330 2.469 2.260 2.992 . 0 0 "[ . 1 . 2 ]" 1 957 1 123 VAL HB 1 124 MET H 3.900 . 5.070 4.124 3.844 4.374 . 0 0 "[ . 1 . 2 ]" 1 958 1 123 VAL HA 1 124 MET H 2.400 . 3.120 2.163 2.100 2.218 . 0 0 "[ . 1 . 2 ]" 1 959 1 123 VAL MG2 1 124 MET H 3.100 . 4.030 4.034 3.008 4.157 0.127 19 0 "[ . 1 . 2 ]" 1 960 1 123 VAL MG1 1 124 MET H 3.000 . 3.900 2.602 2.005 4.155 0.255 7 0 "[ . 1 . 2 ]" 1 961 1 124 MET QB 1 125 VAL H 3.600 . 4.680 3.753 3.590 3.811 . 0 0 "[ . 1 . 2 ]" 1 962 1 124 MET HA 1 125 VAL H 2.300 . 2.990 2.128 2.097 2.157 . 0 0 "[ . 1 . 2 ]" 1 963 1 125 VAL H 1 167 THR HA 3.200 . 4.160 4.037 3.853 4.171 0.011 14 0 "[ . 1 . 2 ]" 1 964 1 125 VAL H 1 183 VAL QG 4.100 . 5.330 4.713 4.581 4.836 . 0 0 "[ . 1 . 2 ]" 1 965 1 124 MET QG 1 125 VAL H 4.600 . 5.980 3.118 2.927 3.275 . 0 0 "[ . 1 . 2 ]" 1 966 1 112 PHE HA 1 126 LYS H 3.100 . 4.030 2.415 2.106 3.102 . 0 0 "[ . 1 . 2 ]" 1 967 1 125 VAL HB 1 126 LYS H 3.400 . 4.420 4.203 3.780 4.302 . 0 0 "[ . 1 . 2 ]" 1 968 1 125 VAL HA 1 126 LYS H 2.200 . 2.860 2.132 2.100 2.250 . 0 0 "[ . 1 . 2 ]" 1 969 1 112 PHE HB3 1 126 LYS H 3.900 . 5.070 3.339 3.001 3.985 . 0 0 "[ . 1 . 2 ]" 1 970 1 112 PHE HB2 1 126 LYS H 4.100 . 5.330 3.430 2.694 3.634 . 0 0 "[ . 1 . 2 ]" 1 971 1 126 LYS H 1 183 VAL QG 3.300 . 4.290 4.371 4.001 4.460 0.170 10 0 "[ . 1 . 2 ]" 1 972 1 126 LYS QB 1 127 PHE H 3.800 . 4.940 3.767 3.578 3.852 . 0 0 "[ . 1 . 2 ]" 1 973 1 127 PHE H 1 165 ASN HA 3.000 . 3.900 3.569 2.867 3.929 0.029 16 0 "[ . 1 . 2 ]" 1 974 1 127 PHE H 1 183 VAL QG 4.400 . 5.720 5.851 5.782 5.922 0.202 16 0 "[ . 1 . 2 ]" 1 975 1 126 LYS HA 1 127 PHE H 2.400 . 3.120 2.264 2.117 2.363 . 0 0 "[ . 1 . 2 ]" 1 976 1 126 LYS QG 1 127 PHE H 3.800 . 4.940 4.541 4.326 4.792 . 0 0 "[ . 1 . 2 ]" 1 977 1 129 SER HA 1 130 ILE H 2.800 . 3.640 2.354 2.172 3.107 . 0 0 "[ . 1 . 2 ]" 1 978 1 129 SER HB2 1 130 ILE H 3.100 . 4.030 3.936 3.832 4.071 0.041 2 0 "[ . 1 . 2 ]" 1 979 1 129 SER QB 1 130 ILE H 3.000 . 3.900 3.688 3.573 3.795 . 0 0 "[ . 1 . 2 ]" 1 980 1 128 PRO QB 1 130 ILE H 3.400 . 4.420 4.054 2.288 4.477 0.057 19 0 "[ . 1 . 2 ]" 1 981 1 130 ILE HA 1 131 VAL H 2.400 . 3.120 2.218 2.163 2.267 . 0 0 "[ . 1 . 2 ]" 1 982 1 130 ILE HB 1 131 VAL H 3.200 . 4.160 4.002 3.860 4.172 0.012 14 0 "[ . 1 . 2 ]" 1 983 1 130 ILE MD 1 131 VAL H 4.600 . 5.980 2.749 2.155 3.038 . 0 0 "[ . 1 . 2 ]" 1 984 1 130 ILE QG 1 131 VAL H 4.500 . 5.850 2.218 1.911 2.495 . 0 0 "[ . 1 . 2 ]" 1 985 1 131 VAL HA 1 132 GLU H 2.700 . 3.510 2.172 2.155 2.207 . 0 0 "[ . 1 . 2 ]" 1 986 1 131 VAL QG 1 132 GLU H 3.600 . 4.680 3.322 2.917 3.697 . 0 0 "[ . 1 . 2 ]" 1 987 1 131 VAL H 1 132 GLU H 3.900 . 5.070 4.120 4.008 4.178 . 0 0 "[ . 1 . 2 ]" 1 988 1 132 GLU HA 1 133 GLU H 2.800 . 3.640 3.438 3.375 3.474 . 0 0 "[ . 1 . 2 ]" 1 989 1 132 GLU QG 1 133 GLU H 3.200 . 4.160 2.914 2.008 4.270 0.110 8 0 "[ . 1 . 2 ]" 1 990 1 131 VAL QG 1 133 GLU H 3.400 . 4.420 2.602 1.857 3.538 . 0 0 "[ . 1 . 2 ]" 1 991 1 132 GLU HB3 1 133 GLU H 3.000 . 3.900 4.000 3.102 4.173 0.273 14 0 "[ . 1 . 2 ]" 1 992 1 132 GLU HB2 1 133 GLU H 3.000 . 3.900 3.734 3.088 4.101 0.201 12 0 "[ . 1 . 2 ]" 1 993 1 132 GLU H 1 133 GLU H 3.200 . 4.160 2.917 2.663 2.983 . 0 0 "[ . 1 . 2 ]" 1 994 1 133 GLU H 1 134 GLU H 4.100 . 5.330 2.748 2.608 2.888 . 0 0 "[ . 1 . 2 ]" 1 995 1 133 GLU HA 1 134 GLU H 3.900 . 5.070 3.343 3.307 3.387 . 0 0 "[ . 1 . 2 ]" 1 996 1 132 GLU HA 1 134 GLU H 3.800 . 4.940 3.220 3.029 3.355 . 0 0 "[ . 1 . 2 ]" 1 997 1 134 GLU HA 1 135 LEU H 2.500 . 3.250 3.010 2.715 3.438 0.188 14 0 "[ . 1 . 2 ]" 1 998 1 132 GLU HA 1 135 LEU H 4.000 . 5.200 2.985 2.467 3.688 . 0 0 "[ . 1 . 2 ]" 1 999 1 134 GLU QB 1 135 LEU H 3.700 . 4.680 3.702 2.759 4.042 . 0 0 "[ . 1 . 2 ]" 1 1000 1 134 GLU QG 1 135 LEU H 3.700 . 4.810 4.161 2.084 4.621 . 0 0 "[ . 1 . 2 ]" 1 1001 1 134 GLU H 1 135 LEU H 3.100 . 4.030 2.134 1.759 2.599 0.041 11 0 "[ . 1 . 2 ]" 1 1002 1 135 LEU H 1 136 GLN H 3.700 . 4.810 4.545 4.375 4.635 . 0 0 "[ . 1 . 2 ]" 1 1003 1 135 LEU HA 1 136 GLN H 2.400 . 3.120 2.226 2.128 2.377 . 0 0 "[ . 1 . 2 ]" 1 1004 1 135 LEU QB 1 136 GLN H 3.100 . 4.030 3.192 2.392 3.827 . 0 0 "[ . 1 . 2 ]" 1 1005 1 135 LEU QD 1 136 GLN H 3.900 . 5.070 3.452 2.403 3.977 . 0 0 "[ . 1 . 2 ]" 1 1006 1 136 GLN H 1 137 PHE H 2.800 . 3.640 2.359 2.008 2.688 . 0 0 "[ . 1 . 2 ]" 1 1007 1 135 LEU HA 1 137 PHE H 3.200 . 4.160 3.755 3.305 4.207 0.047 17 0 "[ . 1 . 2 ]" 1 1008 1 135 LEU QB 1 137 PHE H 3.000 . 3.900 3.172 2.031 3.968 0.068 6 0 "[ . 1 . 2 ]" 1 1009 1 136 GLN HA 1 137 PHE H 2.700 . 3.510 3.328 3.012 3.513 0.003 6 0 "[ . 1 . 2 ]" 1 1010 1 136 GLN HG2 1 137 PHE H 3.900 . 5.070 4.594 2.343 5.105 0.035 21 0 "[ . 1 . 2 ]" 1 1011 1 136 GLN HG3 1 137 PHE H 3.900 . 5.070 4.561 2.228 5.099 0.029 21 0 "[ . 1 . 2 ]" 1 1012 1 136 GLN HB2 1 137 PHE H 3.200 . 4.160 3.889 2.648 4.259 0.099 9 0 "[ . 1 . 2 ]" 1 1013 1 136 GLN HB3 1 137 PHE H 2.900 . 3.770 3.521 2.571 3.899 0.129 9 0 "[ . 1 . 2 ]" 1 1014 1 139 LEU HA 1 140 SER H 2.400 . 3.120 2.245 2.125 2.431 . 0 0 "[ . 1 . 2 ]" 1 1015 1 139 LEU HB2 1 140 SER H 3.300 . 4.290 3.204 2.506 4.471 0.181 22 0 "[ . 1 . 2 ]" 1 1016 1 139 LEU HB3 1 140 SER H 3.300 . 4.290 3.732 3.079 4.275 . 0 0 "[ . 1 . 2 ]" 1 1017 1 139 LEU MD2 1 140 SER H 3.600 . 4.680 4.574 3.690 4.941 0.261 11 0 "[ . 1 . 2 ]" 1 1018 1 139 LEU MD1 1 140 SER H 3.200 . 4.160 3.758 2.960 4.270 0.110 9 0 "[ . 1 . 2 ]" 1 1019 1 139 LEU HG 1 140 SER H 3.600 . 4.680 3.984 2.759 4.893 0.213 5 0 "[ . 1 . 2 ]" 1 1020 1 141 LEU H 1 158 ILE HB 3.400 . 4.420 3.975 3.186 4.292 . 0 0 "[ . 1 . 2 ]" 1 1021 1 140 SER QB 1 141 LEU H 3.300 . 4.290 2.397 1.863 3.080 . 0 0 "[ . 1 . 2 ]" 1 1022 1 141 LEU H 1 158 ILE HG13 3.100 . 4.030 1.862 1.717 2.018 0.083 18 0 "[ . 1 . 2 ]" 1 1023 1 141 LEU H 1 158 ILE HG12 3.300 . 4.290 2.837 2.342 3.362 . 0 0 "[ . 1 . 2 ]" 1 1024 1 141 LEU H 1 158 ILE MG 3.700 . 4.810 3.114 1.930 3.881 . 0 0 "[ . 1 . 2 ]" 1 1025 1 141 LEU H 1 158 ILE MD 4.100 . 5.330 1.852 1.768 1.921 0.032 15 0 "[ . 1 . 2 ]" 1 1026 1 142 VAL H 1 185 LEU HA 3.300 . 4.290 2.810 2.478 3.119 . 0 0 "[ . 1 . 2 ]" 1 1027 1 141 LEU HA 1 142 VAL H 2.300 . 2.990 2.188 2.084 2.291 . 0 0 "[ . 1 . 2 ]" 1 1028 1 141 LEU HG 1 142 VAL H 3.800 . 4.940 3.675 2.155 4.669 . 0 0 "[ . 1 . 2 ]" 1 1029 1 142 VAL H 1 183 VAL QG 4.500 . 5.850 4.087 3.870 4.471 . 0 0 "[ . 1 . 2 ]" 1 1030 1 141 LEU QB 1 142 VAL H 4.000 . 5.200 3.540 3.411 3.730 . 0 0 "[ . 1 . 2 ]" 1 1031 1 141 LEU QD 1 142 VAL H 3.200 . 4.160 2.133 1.768 3.333 0.032 11 0 "[ . 1 . 2 ]" 1 1032 1 142 VAL H 1 158 ILE MD 3.300 . 4.290 4.512 4.379 4.655 0.365 1 0 "[ . 1 . 2 ]" 1 1033 1 142 VAL HB 1 143 ILE H 3.300 . 4.290 3.888 2.947 4.320 0.030 11 0 "[ . 1 . 2 ]" 1 1034 1 142 VAL QG 1 143 ILE H 3.000 . 3.900 2.995 2.377 3.454 . 0 0 "[ . 1 . 2 ]" 1 1035 1 143 ILE H 1 154 HIS HB2 3.600 . 4.680 2.913 2.367 3.666 . 0 0 "[ . 1 . 2 ]" 1 1036 1 143 ILE H 1 154 HIS HB3 3.600 . 4.680 3.659 3.265 4.192 . 0 0 "[ . 1 . 2 ]" 1 1037 1 143 ILE H 1 155 LYS HA 3.800 . 4.940 2.985 2.773 3.141 . 0 0 "[ . 1 . 2 ]" 1 1038 1 143 ILE H 1 158 ILE MD 4.000 . 5.200 5.245 4.937 5.317 0.117 5 0 "[ . 1 . 2 ]" 1 1039 1 144 GLU H 1 183 VAL HA 3.100 . 4.030 3.809 3.493 4.055 0.025 14 0 "[ . 1 . 2 ]" 1 1040 1 143 ILE HA 1 144 GLU H 2.200 . 2.860 2.207 2.178 2.229 . 0 0 "[ . 1 . 2 ]" 1 1041 1 143 ILE HB 1 144 GLU H 3.800 . 4.940 4.034 3.971 4.091 . 0 0 "[ . 1 . 2 ]" 1 1042 1 143 ILE MG 1 144 GLU H 3.200 . 4.160 3.487 3.358 3.584 . 0 0 "[ . 1 . 2 ]" 1 1043 1 143 ILE MD 1 144 GLU H 3.800 . 4.940 4.548 4.425 4.685 . 0 0 "[ . 1 . 2 ]" 1 1044 1 145 GLU H 1 153 LYS HA 3.200 . 4.160 3.315 3.124 3.536 . 0 0 "[ . 1 . 2 ]" 1 1045 1 144 GLU QB 1 145 GLU H 3.600 . 4.680 3.472 3.039 3.785 . 0 0 "[ . 1 . 2 ]" 1 1046 1 144 GLU HA 1 145 GLU H 2.200 . 2.860 2.169 2.121 2.292 . 0 0 "[ . 1 . 2 ]" 1 1047 1 145 GLU QB 1 146 GLN H 3.800 . 4.940 3.766 3.424 3.953 . 0 0 "[ . 1 . 2 ]" 1 1048 1 145 GLU HA 1 146 GLN H 2.300 . 2.990 2.158 2.126 2.203 . 0 0 "[ . 1 . 2 ]" 1 1049 1 146 GLN H 1 181 VAL HA 3.200 . 4.160 3.204 2.603 3.509 . 0 0 "[ . 1 . 2 ]" 1 1050 1 146 GLN QG 1 147 SER H 3.300 . 4.290 4.223 3.979 4.366 0.076 20 0 "[ . 1 . 2 ]" 1 1051 1 146 GLN HB2 1 147 SER H 3.400 . 4.420 4.608 4.532 4.632 0.212 10 0 "[ . 1 . 2 ]" 1 1052 1 146 GLN HB3 1 147 SER H 3.400 . 4.420 4.310 4.157 4.381 . 0 0 "[ . 1 . 2 ]" 1 1053 1 146 GLN HA 1 147 SER H 2.200 . 2.860 2.450 2.361 2.533 . 0 0 "[ . 1 . 2 ]" 1 1054 1 147 SER H 1 151 VAL HA 3.100 . 4.030 3.896 3.720 4.039 0.009 19 0 "[ . 1 . 2 ]" 1 1055 1 147 SER H 1 179 TYR QD 4.400 . 5.720 4.903 4.800 4.996 . 0 0 "[ . 1 . 2 ]" 1 1056 1 147 SER QB 1 148 GLU H 4.700 . 6.110 3.182 2.862 3.482 . 0 0 "[ . 1 . 2 ]" 1 1057 1 147 SER HA 1 148 GLU H 3.300 . 4.290 2.087 2.059 2.181 . 0 0 "[ . 1 . 2 ]" 1 1058 1 148 GLU HB2 1 149 GLY H 3.900 . 5.070 4.558 4.352 4.664 . 0 0 "[ . 1 . 2 ]" 1 1059 1 148 GLU HA 1 149 GLY H 3.000 . 3.900 2.756 2.545 2.953 . 0 0 "[ . 1 . 2 ]" 1 1060 1 148 GLU QB 1 149 GLY H 3.900 . 5.070 3.967 3.839 4.073 . 0 0 "[ . 1 . 2 ]" 1 1061 1 149 GLY H 1 150 ILE H 2.700 . 3.510 2.641 2.328 2.807 . 0 0 "[ . 1 . 2 ]" 1 1062 1 149 GLY HA2 1 150 ILE H 3.100 . 4.030 3.369 3.230 3.440 . 0 0 "[ . 1 . 2 ]" 1 1063 1 149 GLY HA3 1 150 ILE H 3.100 . 4.030 3.207 3.121 3.353 . 0 0 "[ . 1 . 2 ]" 1 1064 1 146 GLN QG 1 150 ILE H 3.900 . 5.070 4.741 4.132 5.132 0.062 22 0 "[ . 1 . 2 ]" 1 1065 1 147 SER H 1 150 ILE H 2.900 . 3.770 3.811 3.555 3.893 0.123 17 0 "[ . 1 . 2 ]" 1 1066 1 150 ILE HG13 1 151 VAL H 4.000 . 5.200 4.807 4.247 5.031 . 0 0 "[ . 1 . 2 ]" 1 1067 1 150 ILE HG12 1 151 VAL H 4.100 . 5.330 4.931 4.204 5.357 0.027 20 0 "[ . 1 . 2 ]" 1 1068 1 150 ILE MG 1 151 VAL H 3.200 . 4.160 3.233 2.541 4.135 . 0 0 "[ . 1 . 2 ]" 1 1069 1 150 ILE HA 1 151 VAL H 2.400 . 3.120 2.142 2.114 2.180 . 0 0 "[ . 1 . 2 ]" 1 1070 1 150 ILE HB 1 151 VAL H 3.000 . 3.900 3.678 3.043 4.016 0.116 8 0 "[ . 1 . 2 ]" 1 1071 1 146 GLN HA 1 152 LYS H 3.200 . 4.160 3.406 2.891 3.886 . 0 0 "[ . 1 . 2 ]" 1 1072 1 151 VAL HA 1 152 LYS H 2.300 . 2.990 2.219 2.137 2.509 . 0 0 "[ . 1 . 2 ]" 1 1073 1 145 GLU QB 1 152 LYS H 3.400 . 4.420 3.579 2.739 4.197 . 0 0 "[ . 1 . 2 ]" 1 1074 1 151 VAL HB 1 152 LYS H 3.200 . 4.160 3.692 2.180 4.235 0.075 17 0 "[ . 1 . 2 ]" 1 1075 1 151 VAL QG 1 152 LYS H 2.800 . 3.640 2.667 1.953 3.492 . 0 0 "[ . 1 . 2 ]" 1 1076 1 144 GLU HA 1 152 LYS H 3.300 . 4.290 4.346 4.183 4.401 0.111 19 0 "[ . 1 . 2 ]" 1 1077 1 144 GLU QG 1 152 LYS H 4.000 . 5.200 4.258 3.588 4.811 . 0 0 "[ . 1 . 2 ]" 1 1078 1 145 GLU H 1 152 LYS H 3.200 . 4.160 3.067 2.405 3.714 . 0 0 "[ . 1 . 2 ]" 1 1079 1 152 LYS QB 1 153 LYS H 3.000 . 3.900 2.961 2.171 3.832 . 0 0 "[ . 1 . 2 ]" 1 1080 1 152 LYS HA 1 153 LYS H 2.200 . 2.860 2.343 2.140 2.603 . 0 0 "[ . 1 . 2 ]" 1 1081 1 143 ILE H 1 154 HIS H 3.300 . 4.290 3.373 2.873 4.065 . 0 0 "[ . 1 . 2 ]" 1 1082 1 144 GLU HA 1 154 HIS H 3.200 . 4.160 2.556 2.289 2.735 . 0 0 "[ . 1 . 2 ]" 1 1083 1 153 LYS QB 1 154 HIS H 3.800 . 4.420 3.326 2.950 3.728 . 0 0 "[ . 1 . 2 ]" 1 1084 1 153 LYS HA 1 154 HIS H 2.200 . 2.860 2.154 2.107 2.221 . 0 0 "[ . 1 . 2 ]" 1 1085 1 142 VAL QG 1 154 HIS H 3.300 . 4.290 3.153 2.496 4.405 0.115 16 0 "[ . 1 . 2 ]" 1 1086 1 154 HIS HA 1 155 LYS H 2.300 . 2.990 2.338 2.172 2.538 . 0 0 "[ . 1 . 2 ]" 1 1087 1 157 GLU HA 1 158 ILE H 2.300 . 2.990 2.179 2.150 2.414 . 0 0 "[ . 1 . 2 ]" 1 1088 1 157 GLU HG3 1 158 ILE H 3.400 . 4.420 3.821 3.005 4.420 0.000 1 0 "[ . 1 . 2 ]" 1 1089 1 157 GLU HG2 1 158 ILE H 4.200 . 5.460 4.495 2.886 5.286 . 0 0 "[ . 1 . 2 ]" 1 1090 1 157 GLU QB 1 158 ILE H 3.900 . 5.070 3.700 2.819 3.979 . 0 0 "[ . 1 . 2 ]" 1 1091 1 158 ILE MG 1 159 LYS H 3.900 . 5.070 4.240 4.161 4.311 . 0 0 "[ . 1 . 2 ]" 1 1092 1 158 ILE HA 1 159 LYS H 3.100 . 4.030 3.191 3.073 3.306 . 0 0 "[ . 1 . 2 ]" 1 1093 1 159 LYS HA 1 160 GLY H 3.800 . 4.940 2.584 2.255 3.483 . 0 0 "[ . 1 . 2 ]" 1 1094 1 160 GLY HA2 1 161 ASN H 3.600 . 4.680 3.111 2.883 3.549 . 0 0 "[ . 1 . 2 ]" 1 1095 1 160 GLY HA3 1 161 ASN H 3.300 . 4.290 3.376 2.612 3.517 . 0 0 "[ . 1 . 2 ]" 1 1096 1 161 ASN H 1 162 MET H 3.800 . 4.940 2.212 2.054 3.139 . 0 0 "[ . 1 . 2 ]" 1 1097 1 161 ASN HA 1 162 MET H 3.100 . 4.030 3.435 3.288 3.523 . 0 0 "[ . 1 . 2 ]" 1 1098 1 162 MET HA 1 163 SER H 3.100 . 4.030 2.690 2.448 2.869 . 0 0 "[ . 1 . 2 ]" 1 1099 1 162 MET QB 1 163 SER H 4.600 . 5.980 3.899 3.833 3.933 . 0 0 "[ . 1 . 2 ]" 1 1100 1 127 PHE HB3 1 164 GLY H 3.800 . 4.940 3.414 2.736 5.396 0.456 14 0 "[ . 1 . 2 ]" 1 1101 1 127 PHE HB2 1 164 GLY H 3.800 . 4.940 2.666 2.191 4.980 0.040 16 0 "[ . 1 . 2 ]" 1 1102 1 164 GLY HA2 1 165 ASN H 3.100 . 4.030 3.202 3.004 3.290 . 0 0 "[ . 1 . 2 ]" 1 1103 1 164 GLY HA3 1 165 ASN H 2.900 . 3.770 2.169 2.124 2.275 . 0 0 "[ . 1 . 2 ]" 1 1104 1 125 VAL H 1 166 PHE H 3.300 . 4.160 3.622 3.331 3.710 . 0 0 "[ . 1 . 2 ]" 1 1105 1 165 ASN HA 1 166 PHE H 2.200 . 2.860 2.335 2.267 2.412 . 0 0 "[ . 1 . 2 ]" 1 1106 1 165 ASN HB2 1 166 PHE H 3.600 . 4.680 4.214 4.147 4.293 . 0 0 "[ . 1 . 2 ]" 1 1107 1 165 ASN HB3 1 166 PHE H 3.600 . 4.680 4.377 4.187 4.487 . 0 0 "[ . 1 . 2 ]" 1 1108 1 126 LYS HA 1 166 PHE H 3.200 . 3.900 2.929 2.650 3.207 . 0 0 "[ . 1 . 2 ]" 1 1109 1 166 PHE HA 1 167 THR H 2.400 . 3.120 2.244 2.209 2.307 . 0 0 "[ . 1 . 2 ]" 1 1110 1 166 PHE HB2 1 167 THR H 3.300 . 4.290 4.368 4.308 4.413 0.123 6 0 "[ . 1 . 2 ]" 1 1111 1 166 PHE HB3 1 167 THR H 3.400 . 4.420 3.776 3.549 3.900 . 0 0 "[ . 1 . 2 ]" 1 1112 1 125 VAL QG 1 168 TYR H 3.800 . 4.940 4.483 4.139 4.769 . 0 0 "[ . 1 . 2 ]" 1 1113 1 123 VAL H 1 168 TYR H 3.100 . 4.030 3.610 3.209 4.047 0.017 7 0 "[ . 1 . 2 ]" 1 1114 1 167 THR HA 1 168 TYR H 2.300 . 2.990 2.199 2.114 2.275 . 0 0 "[ . 1 . 2 ]" 1 1115 1 167 THR HB 1 168 TYR H 3.400 . 4.420 4.036 3.777 4.207 . 0 0 "[ . 1 . 2 ]" 1 1116 1 167 THR MG 1 168 TYR H 3.000 . 3.900 3.464 2.979 3.793 . 0 0 "[ . 1 . 2 ]" 1 1117 1 168 TYR HA 1 169 ILE H 2.200 . 2.860 2.283 2.222 2.396 . 0 0 "[ . 1 . 2 ]" 1 1118 1 168 TYR HB3 1 169 ILE H 3.600 . 4.680 3.953 3.659 4.125 . 0 0 "[ . 1 . 2 ]" 1 1119 1 168 TYR HB2 1 169 ILE H 3.400 . 4.420 4.033 3.828 4.161 . 0 0 "[ . 1 . 2 ]" 1 1120 1 169 ILE HA 1 170 ILE H 2.200 . 2.860 2.137 2.107 2.186 . 0 0 "[ . 1 . 2 ]" 1 1121 1 169 ILE HB 1 170 ILE H 3.600 . 4.680 4.201 4.064 4.339 . 0 0 "[ . 1 . 2 ]" 1 1122 1 169 ILE QG 1 170 ILE H 4.000 . 5.200 4.742 4.641 4.830 . 0 0 "[ . 1 . 2 ]" 1 1123 1 122 ASN HA 1 170 ILE H 3.400 . 4.420 3.677 3.224 4.069 . 0 0 "[ . 1 . 2 ]" 1 1124 1 169 ILE MG 1 170 ILE H 3.400 . 4.420 2.768 2.469 3.179 . 0 0 "[ . 1 . 2 ]" 1 1125 1 170 ILE HB 1 171 ASP H 3.700 . 4.810 4.183 4.031 4.555 . 0 0 "[ . 1 . 2 ]" 1 1126 1 170 ILE QG 1 171 ASP H 3.200 . 4.160 3.357 3.103 3.603 . 0 0 "[ . 1 . 2 ]" 1 1127 1 170 ILE HA 1 171 ASP H 2.400 . 3.120 2.189 2.124 2.347 . 0 0 "[ . 1 . 2 ]" 1 1128 1 169 ILE MG 1 171 ASP H 3.800 . 4.940 3.451 2.973 3.987 . 0 0 "[ . 1 . 2 ]" 1 1129 1 170 ILE MD 1 171 ASP H 4.000 . 5.200 5.441 5.206 5.542 0.342 8 0 "[ . 1 . 2 ]" 1 1130 1 171 ASP HA 1 172 LYS H 3.000 . 3.900 2.669 2.449 2.788 . 0 0 "[ . 1 . 2 ]" 1 1131 1 171 ASP HB2 1 172 LYS H 3.100 . 4.030 2.286 1.998 3.775 . 0 0 "[ . 1 . 2 ]" 1 1132 1 171 ASP HB3 1 172 LYS H 3.100 . 4.030 3.580 3.143 3.766 . 0 0 "[ . 1 . 2 ]" 1 1133 1 120 HIS HB3 1 172 LYS H 3.800 . 4.940 3.881 3.452 4.189 . 0 0 "[ . 1 . 2 ]" 1 1134 1 120 HIS HB2 1 172 LYS H 4.000 . 5.200 5.128 4.718 5.235 0.035 12 0 "[ . 1 . 2 ]" 1 1135 1 171 ASP H 1 172 LYS H 4.200 . 5.460 4.431 4.335 4.541 . 0 0 "[ . 1 . 2 ]" 1 1136 1 120 HIS QB 1 173 LEU H 3.900 . 5.070 4.714 4.484 4.888 . 0 0 "[ . 1 . 2 ]" 1 1137 1 172 LYS H 1 173 LEU H 3.100 . 4.030 2.604 2.332 2.858 . 0 0 "[ . 1 . 2 ]" 1 1138 1 120 HIS HA 1 173 LEU H 3.700 . 4.810 3.827 3.560 4.037 . 0 0 "[ . 1 . 2 ]" 1 1139 1 171 ASP HA 1 173 LEU H 3.400 . 4.420 3.723 3.523 4.028 . 0 0 "[ . 1 . 2 ]" 1 1140 1 171 ASP QB 1 173 LEU H 4.000 . 5.200 4.368 4.057 5.117 . 0 0 "[ . 1 . 2 ]" 1 1141 1 172 LYS HA 1 173 LEU H 2.800 . 3.640 2.719 2.592 2.810 . 0 0 "[ . 1 . 2 ]" 1 1142 1 172 LYS HB3 1 173 LEU H 4.000 . 5.200 4.329 4.228 4.487 . 0 0 "[ . 1 . 2 ]" 1 1143 1 172 LYS HB2 1 173 LEU H 4.000 . 5.200 4.438 4.210 4.606 . 0 0 "[ . 1 . 2 ]" 1 1144 1 119 ASN HA 1 173 LEU H 3.700 . 4.810 4.463 3.533 4.887 0.077 18 0 "[ . 1 . 2 ]" 1 1145 1 119 ASN QB 1 173 LEU H 4.400 . 5.720 4.673 3.928 5.437 . 0 0 "[ . 1 . 2 ]" 1 1146 1 119 ASN QD 1 174 ILE H 3.400 . 4.420 4.456 4.426 4.512 0.092 20 0 "[ . 1 . 2 ]" 1 1147 1 173 LEU HB2 1 174 ILE H 3.100 . 4.030 3.675 3.018 4.067 0.037 13 0 "[ . 1 . 2 ]" 1 1148 1 173 LEU MD2 1 174 ILE H 4.100 . 5.330 4.204 3.368 4.704 . 0 0 "[ . 1 . 2 ]" 1 1149 1 173 LEU MD1 1 174 ILE H 4.700 . 6.110 4.766 3.420 5.056 . 0 0 "[ . 1 . 2 ]" 1 1150 1 173 LEU HA 1 174 ILE H 3.100 . 4.030 2.284 2.176 2.361 . 0 0 "[ . 1 . 2 ]" 1 1151 1 176 ASN HB2 1 177 THR H 3.900 . 5.070 4.546 4.222 4.631 . 0 0 "[ . 1 . 2 ]" 1 1152 1 176 ASN HA 1 177 THR H 2.700 . 3.510 2.420 2.246 2.560 . 0 0 "[ . 1 . 2 ]" 1 1153 1 176 ASN HB3 1 177 THR H 3.800 . 4.940 4.505 4.388 4.664 . 0 0 "[ . 1 . 2 ]" 1 1154 1 148 GLU QG 1 177 THR H 4.000 . 5.200 5.210 4.851 5.247 0.047 19 0 "[ . 1 . 2 ]" 1 1155 1 177 THR H 1 202 LEU MD1 3.000 . 3.900 2.074 1.726 4.098 0.198 7 0 "[ . 1 . 2 ]" 1 1156 1 177 THR H 1 202 LEU MD2 3.100 . 4.030 3.802 1.681 4.187 0.157 19 0 "[ . 1 . 2 ]" 1 1157 1 176 ASN H 1 177 THR H 2.900 . 3.770 2.915 2.675 3.287 . 0 0 "[ . 1 . 2 ]" 1 1158 1 148 GLU QB 1 177 THR H 3.600 . 4.680 4.768 4.699 4.807 0.127 2 0 "[ . 1 . 2 ]" 1 1159 1 177 THR H 1 202 LEU HA 3.700 . 4.810 4.079 3.956 4.250 . 0 0 "[ . 1 . 2 ]" 1 1160 1 176 ASN QB 1 177 THR H 4.600 . 5.980 4.025 3.925 4.058 . 0 0 "[ . 1 . 2 ]" 1 1161 1 178 ASN H 1 179 TYR QE 4.700 . 6.110 6.062 5.903 6.392 0.282 13 0 "[ . 1 . 2 ]" 1 1162 1 177 THR HA 1 178 ASN H 2.300 . 2.990 2.392 2.206 2.559 . 0 0 "[ . 1 . 2 ]" 1 1163 1 177 THR HB 1 178 ASN H 3.400 . 4.420 4.315 4.057 4.455 0.035 12 0 "[ . 1 . 2 ]" 1 1164 1 178 ASN H 1 202 LEU MD1 3.400 . 4.420 2.187 1.917 3.160 . 0 0 "[ . 1 . 2 ]" 1 1165 1 178 ASN H 1 202 LEU MD2 3.800 . 4.940 3.559 3.305 3.998 . 0 0 "[ . 1 . 2 ]" 1 1166 1 178 ASN HB2 1 179 TYR H 3.400 . 4.420 3.676 3.197 3.727 . 0 0 "[ . 1 . 2 ]" 1 1167 1 178 ASN HB3 1 179 TYR H 3.600 . 4.680 4.436 4.054 4.483 . 0 0 "[ . 1 . 2 ]" 1 1168 1 179 TYR H 1 202 LEU HA 3.200 . 4.160 3.084 2.449 3.237 . 0 0 "[ . 1 . 2 ]" 1 1169 1 178 ASN HA 1 179 TYR H 2.200 . 2.860 2.189 2.110 2.209 . 0 0 "[ . 1 . 2 ]" 1 1170 1 146 GLN H 1 180 CYS H 3.100 . 4.030 2.912 2.584 3.541 . 0 0 "[ . 1 . 2 ]" 1 1171 1 179 TYR HA 1 180 CYS H 2.200 . 2.860 2.107 2.066 2.157 . 0 0 "[ . 1 . 2 ]" 1 1172 1 179 TYR QB 1 180 CYS H 3.300 . 4.290 2.962 2.743 3.767 . 0 0 "[ . 1 . 2 ]" 1 1173 1 179 TYR QD 1 180 CYS H 3.800 . 4.940 4.290 4.109 4.418 . 0 0 "[ . 1 . 2 ]" 1 1174 1 147 SER QB 1 180 CYS H 4.100 . 5.330 4.846 4.544 5.104 . 0 0 "[ . 1 . 2 ]" 1 1175 1 147 SER HA 1 180 CYS H 3.700 . 4.810 3.648 3.341 3.747 . 0 0 "[ . 1 . 2 ]" 1 1176 1 181 VAL H 1 200 CYS HA 3.000 . 3.900 3.520 3.257 3.894 . 0 0 "[ . 1 . 2 ]" 1 1177 1 180 CYS HA 1 181 VAL H 2.300 . 2.990 2.170 2.118 2.252 . 0 0 "[ . 1 . 2 ]" 1 1178 1 180 CYS QB 1 181 VAL H 3.600 . 4.680 3.683 3.537 3.813 . 0 0 "[ . 1 . 2 ]" 1 1179 1 181 VAL H 1 198 LEU QD 3.600 . 4.680 3.647 3.185 4.511 . 0 0 "[ . 1 . 2 ]" 1 1180 1 144 GLU H 1 182 SER H 3.100 . 4.030 3.008 2.495 3.505 . 0 0 "[ . 1 . 2 ]" 1 1181 1 181 VAL HA 1 182 SER H 2.400 . 3.120 2.118 2.075 2.156 . 0 0 "[ . 1 . 2 ]" 1 1182 1 145 GLU HA 1 182 SER H 3.400 . 4.420 4.019 3.733 4.342 . 0 0 "[ . 1 . 2 ]" 1 1183 1 144 GLU QB 1 182 SER H 3.800 . 4.940 2.761 2.461 3.108 . 0 0 "[ . 1 . 2 ]" 1 1184 1 181 VAL QG 1 182 SER H 3.100 . 4.030 2.647 2.243 2.962 . 0 0 "[ . 1 . 2 ]" 1 1185 1 182 SER HA 1 183 VAL H 2.200 . 2.860 2.388 2.103 2.501 . 0 0 "[ . 1 . 2 ]" 1 1186 1 182 SER HB2 1 183 VAL H 3.600 . 4.680 3.350 2.040 3.953 . 0 0 "[ . 1 . 2 ]" 1 1187 1 182 SER HB3 1 183 VAL H 3.800 . 4.940 3.311 2.736 3.794 . 0 0 "[ . 1 . 2 ]" 1 1188 1 142 VAL H 1 184 TYR H 3.200 . 4.160 3.496 2.983 3.820 . 0 0 "[ . 1 . 2 ]" 1 1189 1 183 VAL HA 1 184 TYR H 2.300 . 2.990 2.409 2.266 2.592 . 0 0 "[ . 1 . 2 ]" 1 1190 1 143 ILE HA 1 184 TYR H 3.200 . 4.160 4.137 3.927 4.269 0.109 6 0 "[ . 1 . 2 ]" 1 1191 1 183 VAL HB 1 184 TYR H 3.200 . 4.160 4.369 4.218 4.401 0.241 22 0 "[ . 1 . 2 ]" 1 1192 1 143 ILE MD 1 184 TYR H 3.800 . 4.940 4.905 4.692 5.049 0.109 3 0 "[ . 1 . 2 ]" 1 1193 1 183 VAL QG 1 184 TYR H 3.400 . 4.420 3.479 3.229 3.650 . 0 0 "[ . 1 . 2 ]" 1 1194 1 142 VAL QG 1 184 TYR H 3.700 . 4.810 3.247 1.833 3.976 . 0 0 "[ . 1 . 2 ]" 1 1195 1 143 ILE MG 1 184 TYR H 4.100 . 5.330 5.260 4.961 5.374 0.044 21 0 "[ . 1 . 2 ]" 1 1196 1 185 LEU H 1 192 ALA MB 4.000 . 5.200 5.230 5.137 5.299 0.099 15 0 "[ . 1 . 2 ]" 1 1197 1 184 TYR QD 1 185 LEU H 4.200 . 5.460 3.154 2.646 3.658 . 0 0 "[ . 1 . 2 ]" 1 1198 1 184 TYR QB 1 185 LEU H 3.700 . 4.810 2.725 2.391 2.997 . 0 0 "[ . 1 . 2 ]" 1 1199 1 184 TYR HA 1 185 LEU H 2.200 . 2.860 2.314 2.193 2.464 . 0 0 "[ . 1 . 2 ]" 1 1200 1 185 LEU QD 1 186 GLU H 4.400 . 5.720 3.159 2.074 4.014 . 0 0 "[ . 1 . 2 ]" 1 1201 1 140 SER H 1 186 GLU H 3.200 . 4.160 2.897 2.262 3.733 . 0 0 "[ . 1 . 2 ]" 1 1202 1 185 LEU HA 1 186 GLU H 2.200 . 2.860 2.414 2.308 2.561 . 0 0 "[ . 1 . 2 ]" 1 1203 1 185 LEU QB 1 186 GLU H 4.000 . 5.200 2.349 2.051 2.637 . 0 0 "[ . 1 . 2 ]" 1 1204 1 186 GLU H 1 192 ALA MB 3.800 . 4.940 4.985 4.949 5.027 0.087 20 0 "[ . 1 . 2 ]" 1 1205 1 189 ASP HA 1 190 GLU H 2.700 . 3.510 2.306 2.148 2.642 . 0 0 "[ . 1 . 2 ]" 1 1206 1 190 GLU H 1 191 GLN H 3.300 . 4.290 2.653 2.421 3.009 . 0 0 "[ . 1 . 2 ]" 1 1207 1 190 GLU HA 1 191 GLN H 3.100 . 4.030 2.976 2.894 3.129 . 0 0 "[ . 1 . 2 ]" 1 1208 1 190 GLU QB 1 191 GLN H 3.800 . 4.940 3.724 3.639 3.792 . 0 0 "[ . 1 . 2 ]" 1 1209 1 190 GLU QG 1 191 GLN H 3.900 . 5.070 4.530 4.380 4.801 . 0 0 "[ . 1 . 2 ]" 1 1210 1 191 GLN H 1 192 ALA H 3.100 . 4.030 1.954 1.858 2.135 . 0 0 "[ . 1 . 2 ]" 1 1211 1 191 GLN QB 1 192 ALA H 4.100 . 5.330 3.304 2.905 3.822 . 0 0 "[ . 1 . 2 ]" 1 1212 1 191 GLN HA 1 192 ALA H 2.700 . 3.510 3.391 3.346 3.453 . 0 0 "[ . 1 . 2 ]" 1 1213 1 190 GLU HA 1 192 ALA H 3.700 . 4.810 3.652 3.505 3.739 . 0 0 "[ . 1 . 2 ]" 1 1214 1 191 GLN QG 1 192 ALA H 4.000 . 5.200 4.157 2.440 4.804 . 0 0 "[ . 1 . 2 ]" 1 1215 1 192 ALA H 1 193 VAL H 3.400 . 4.420 3.152 2.911 3.277 . 0 0 "[ . 1 . 2 ]" 1 1216 1 192 ALA HA 1 193 VAL H 2.900 . 3.770 2.773 2.722 2.882 . 0 0 "[ . 1 . 2 ]" 1 1217 1 192 ALA MB 1 193 VAL H 3.400 . 4.420 3.718 3.659 3.735 . 0 0 "[ . 1 . 2 ]" 1 1218 1 193 VAL QG 1 194 ILE H 4.000 . 4.940 3.574 2.896 3.668 . 0 0 "[ . 1 . 2 ]" 1 1219 1 193 VAL HB 1 194 ILE H 2.900 . 3.770 4.003 3.892 4.256 0.486 15 0 "[ . 1 . 2 ]" 1 1220 1 194 ILE H 1 195 LYS H 3.800 . 4.940 3.521 3.380 3.738 . 0 0 "[ . 1 . 2 ]" 1 1221 1 194 ILE HA 1 195 LYS H 2.400 . 3.120 2.489 2.311 2.582 . 0 0 "[ . 1 . 2 ]" 1 1222 1 194 ILE MG 1 195 LYS H 3.200 . 4.160 3.915 3.533 4.229 0.069 11 0 "[ . 1 . 2 ]" 1 1223 1 182 SER HB3 1 196 SER H 3.600 . 4.680 4.513 3.917 4.841 0.161 3 0 "[ . 1 . 2 ]" 1 1224 1 182 SER HB2 1 196 SER H 3.600 . 4.680 4.568 3.154 4.775 0.095 10 0 "[ . 1 . 2 ]" 1 1225 1 184 TYR HA 1 196 SER H 3.000 . 3.900 3.958 3.831 4.034 0.134 8 0 "[ . 1 . 2 ]" 1 1226 1 195 LYS HA 1 196 SER H 2.700 . 3.510 2.157 2.113 2.206 . 0 0 "[ . 1 . 2 ]" 1 1227 1 195 LYS QB 1 196 SER H 3.600 . 4.680 3.970 3.936 4.013 . 0 0 "[ . 1 . 2 ]" 1 1228 1 184 TYR QD 1 196 SER H 3.700 . 4.810 4.482 3.838 4.863 0.053 5 0 "[ . 1 . 2 ]" 1 1229 1 183 VAL HB 1 196 SER H 3.200 . 4.160 4.234 4.164 4.276 0.116 13 0 "[ . 1 . 2 ]" 1 1230 1 183 VAL QG 1 196 SER H 4.000 . 5.200 4.429 3.825 4.528 . 0 0 "[ . 1 . 2 ]" 1 1231 1 184 TYR QB 1 196 SER H 3.800 . 4.940 3.098 2.841 3.346 . 0 0 "[ . 1 . 2 ]" 1 1232 1 183 VAL H 1 196 SER H 3.300 . 4.290 2.898 2.708 3.394 . 0 0 "[ . 1 . 2 ]" 1 1233 1 197 PRO HA 1 198 LEU H 2.300 . 2.990 2.211 2.165 2.614 . 0 0 "[ . 1 . 2 ]" 1 1234 1 197 PRO HB2 1 198 LEU H 3.200 . 4.160 4.090 2.931 4.235 0.075 9 0 "[ . 1 . 2 ]" 1 1235 1 197 PRO HB3 1 198 LEU H 3.000 . 3.900 3.841 2.678 4.073 0.173 9 0 "[ . 1 . 2 ]" 1 1236 1 197 PRO QG 1 198 LEU H 4.000 . 5.200 4.749 4.301 4.804 . 0 0 "[ . 1 . 2 ]" 1 1237 1 181 VAL H 1 199 LYS H 3.100 . 4.030 2.493 2.006 3.286 . 0 0 "[ . 1 . 2 ]" 1 1238 1 198 LEU HA 1 199 LYS H 2.200 . 2.860 2.285 2.094 2.450 . 0 0 "[ . 1 . 2 ]" 1 1239 1 198 LEU QB 1 199 LYS H 3.700 . 4.810 2.339 1.858 3.619 . 0 0 "[ . 1 . 2 ]" 1 1240 1 198 LEU HG 1 199 LYS H 3.000 . 3.900 4.014 3.107 4.313 0.413 13 0 "[ . 1 . 2 ]" 1 1241 1 198 LEU MD1 1 199 LYS H 3.700 . 4.810 3.982 3.044 4.636 . 0 0 "[ . 1 . 2 ]" 1 1242 1 198 LEU MD2 1 199 LYS H 3.700 . 4.810 3.895 3.092 4.832 0.022 18 0 "[ . 1 . 2 ]" 1 1243 1 199 LYS HA 1 200 CYS H 2.300 . 2.990 2.198 2.173 2.229 . 0 0 "[ . 1 . 2 ]" 1 1244 1 199 LYS QB 1 200 CYS H 3.900 . 5.070 3.826 3.544 3.983 . 0 0 "[ . 1 . 2 ]" 1 1245 1 199 LYS QG 1 200 CYS H 4.000 . 5.200 3.458 2.905 4.419 . 0 0 "[ . 1 . 2 ]" 1 1246 1 179 TYR H 1 201 THR H 3.200 . 4.160 3.605 3.148 3.761 . 0 0 "[ . 1 . 2 ]" 1 1247 1 200 CYS HA 1 201 THR H 2.200 . 2.860 2.358 2.265 2.408 . 0 0 "[ . 1 . 2 ]" 1 1248 1 180 CYS HA 1 201 THR H 3.000 . 3.900 3.705 3.517 3.844 . 0 0 "[ . 1 . 2 ]" 1 1249 1 200 CYS QB 1 201 THR H 3.000 . 3.900 3.876 3.688 3.936 0.036 19 0 "[ . 1 . 2 ]" 1 1250 1 201 THR HA 1 202 LEU H 2.400 . 3.120 2.168 2.114 2.390 . 0 0 "[ . 1 . 2 ]" 1 1251 1 201 THR MG 1 202 LEU H 4.500 . 5.850 3.629 3.060 4.027 . 0 0 "[ . 1 . 2 ]" 1 1252 1 201 THR HB 1 202 LEU H 3.600 . 4.680 4.460 4.147 4.605 . 0 0 "[ . 1 . 2 ]" 1 1253 1 202 LEU HG 1 203 LEU H 3.400 . 4.420 2.453 2.082 3.015 . 0 0 "[ . 1 . 2 ]" 1 1254 1 202 LEU MD1 1 203 LEU H 3.700 . 4.810 2.030 1.665 4.057 0.135 16 0 "[ . 1 . 2 ]" 1 1255 1 202 LEU MD2 1 203 LEU H 3.600 . 4.680 3.448 1.687 3.838 0.113 17 0 "[ . 1 . 2 ]" 1 1256 1 178 ASN HA 1 203 LEU H 3.300 . 4.290 3.754 3.581 3.863 . 0 0 "[ . 1 . 2 ]" 1 1257 1 202 LEU HA 1 203 LEU H 2.700 . 3.510 2.433 2.380 2.485 . 0 0 "[ . 1 . 2 ]" 1 1258 1 203 LEU H 1 205 PRO QB 3.500 . 4.550 4.883 4.803 4.939 0.389 7 0 "[ . 1 . 2 ]" 1 1259 1 202 LEU QB 1 203 LEU H 4.100 . 5.330 3.279 3.114 3.384 . 0 0 "[ . 1 . 2 ]" 1 1260 1 177 THR H 1 203 LEU H 4.000 . 5.200 2.592 2.344 2.874 . 0 0 "[ . 1 . 2 ]" 1 1261 1 205 PRO HA 1 206 GLY H 2.400 . 3.120 2.323 2.037 3.269 0.149 7 0 "[ . 1 . 2 ]" 1 1262 1 206 GLY H 1 207 GLN QG 4.200 . 5.460 4.785 3.925 5.287 . 0 0 "[ . 1 . 2 ]" 1 1263 1 205 PRO HB2 1 206 GLY H 3.100 . 4.030 3.868 3.720 3.990 . 0 0 "[ . 1 . 2 ]" 1 1264 1 205 PRO HB3 1 206 GLY H 3.000 . 3.900 4.171 4.061 4.328 0.428 20 0 "[ . 1 . 2 ]" 1 1265 1 209 SER HA 1 210 GLU H 4.500 . 5.850 2.555 2.139 3.570 . 0 0 "[ . 1 . 2 ]" 1 1266 1 112 PHE HA 1 125 VAL HA 2.200 . 2.860 2.504 2.253 2.717 . 0 0 "[ . 1 . 2 ]" 1 1267 1 114 ILE HA 1 123 VAL HA 2.400 . 3.120 2.298 1.835 2.567 . 0 0 "[ . 1 . 2 ]" 1 1268 1 116 GLY HA3 1 121 ILE HA 2.900 . 3.770 3.595 3.125 3.914 0.144 22 0 "[ . 1 . 2 ]" 1 1269 1 116 GLY HA2 1 121 ILE HA 2.900 . 3.770 2.170 1.788 2.315 0.012 18 0 "[ . 1 . 2 ]" 1 1270 1 116 GLY QA 1 121 ILE HA 2.500 . 3.250 2.153 1.778 2.295 0.022 18 0 "[ . 1 . 2 ]" 1 1271 1 120 HIS HA 1 171 ASP HA 2.700 . 3.510 2.306 1.982 2.813 . 0 0 "[ . 1 . 2 ]" 1 1272 1 122 ASN HA 1 169 ILE HA 2.300 . 2.990 2.507 2.072 2.781 . 0 0 "[ . 1 . 2 ]" 1 1273 1 124 MET HA 1 167 THR HA 2.300 . 2.990 2.742 2.474 2.888 . 0 0 "[ . 1 . 2 ]" 1 1274 1 126 LYS HA 1 165 ASN HA 2.200 . 2.860 2.146 1.858 2.333 . 0 0 "[ . 1 . 2 ]" 1 1275 1 142 VAL HA 1 155 LYS HA 2.400 . 3.120 2.169 1.891 2.482 . 0 0 "[ . 1 . 2 ]" 1 1276 1 144 GLU HA 1 153 LYS HA 2.200 . 2.860 1.875 1.763 2.147 0.037 2 0 "[ . 1 . 2 ]" 1 1277 1 146 GLN HA 1 151 VAL HA 2.200 . 2.860 2.016 1.854 2.159 . 0 0 "[ . 1 . 2 ]" 1 1278 1 147 SER HA 1 179 TYR HA 2.500 . 3.250 1.918 1.800 2.721 0.000 10 0 "[ . 1 . 2 ]" 1 1279 1 145 GLU HA 1 181 VAL HA 2.400 . 3.120 2.691 2.414 2.995 . 0 0 "[ . 1 . 2 ]" 1 1280 1 143 ILE HA 1 183 VAL HA 2.300 . 2.990 3.131 3.076 3.237 0.247 18 0 "[ . 1 . 2 ]" 1 1281 1 141 LEU HA 1 185 LEU HA 2.300 . 2.990 2.251 1.911 2.998 0.008 16 0 "[ . 1 . 2 ]" 1 1282 1 180 CYS HA 1 200 CYS HA 2.100 . 2.730 2.014 1.823 2.215 . 0 0 "[ . 1 . 2 ]" 1 1283 1 178 ASN HA 1 202 LEU HA 2.400 . 3.120 1.790 1.655 1.906 0.145 22 0 "[ . 1 . 2 ]" 1 1284 1 101 LEU HA 1 104 ASP HB3 2.900 . 3.770 2.839 2.569 3.775 0.005 15 0 "[ . 1 . 2 ]" 1 1285 1 101 LEU HA 1 104 ASP HB2 3.100 . 4.030 3.949 2.723 4.063 0.033 9 0 "[ . 1 . 2 ]" 1 1286 1 106 SER HA 1 194 ILE MD 3.000 . 3.900 2.208 1.801 3.021 . 0 0 "[ . 1 . 2 ]" 1 1287 1 106 SER QB 1 194 ILE MD 3.100 . 4.030 2.690 1.776 3.520 0.024 21 0 "[ . 1 . 2 ]" 1 1288 1 111 GLU HB3 1 126 LYS QB 2.700 . 3.510 2.298 1.690 3.562 0.110 21 0 "[ . 1 . 2 ]" 1 1289 1 111 GLU HB3 1 126 LYS QG 3.300 . 4.290 3.509 2.987 4.411 0.121 5 0 "[ . 1 . 2 ]" 1 1290 1 111 GLU HB2 1 126 LYS QB 2.600 . 3.380 2.898 1.769 3.437 0.057 8 0 "[ . 1 . 2 ]" 1 1291 1 111 GLU HB2 1 126 LYS QG 3.300 . 4.290 3.914 2.502 4.542 0.252 16 0 "[ . 1 . 2 ]" 1 1292 1 111 GLU HG3 1 126 LYS QB 2.900 . 3.770 3.211 2.248 3.773 0.003 4 0 "[ . 1 . 2 ]" 1 1293 1 111 GLU HG3 1 126 LYS QG 3.200 . 4.160 3.624 1.975 4.172 0.012 7 0 "[ . 1 . 2 ]" 1 1294 1 111 GLU HG2 1 126 LYS HB3 2.900 . 3.770 3.307 2.475 3.779 0.009 14 0 "[ . 1 . 2 ]" 1 1295 1 111 GLU HG2 1 126 LYS HB2 2.900 . 3.770 2.503 1.915 3.220 . 0 0 "[ . 1 . 2 ]" 1 1296 1 111 GLU HG2 1 126 LYS QG 3.200 . 4.160 2.813 1.960 4.164 0.004 5 0 "[ . 1 . 2 ]" 1 1297 1 112 PHE HA 1 125 VAL MG1 3.300 . 4.290 3.845 3.563 4.122 . 0 0 "[ . 1 . 2 ]" 1 1298 1 112 PHE HA 1 125 VAL MG2 3.200 . 4.160 4.225 4.169 4.294 0.134 21 0 "[ . 1 . 2 ]" 1 1299 1 112 PHE HA 1 126 LYS QD 3.400 . 4.420 2.829 1.818 4.524 0.104 17 0 "[ . 1 . 2 ]" 1 1300 1 112 PHE HA 1 126 LYS QG 3.100 . 4.030 3.478 2.516 4.044 0.014 2 0 "[ . 1 . 2 ]" 1 1301 1 112 PHE HB3 1 125 VAL QG 3.700 . 4.810 2.521 2.081 3.395 . 0 0 "[ . 1 . 2 ]" 1 1302 1 112 PHE HB2 1 125 VAL QG 3.700 . 4.810 2.362 2.227 2.493 . 0 0 "[ . 1 . 2 ]" 1 1303 1 113 GLU HA 1 114 ILE MD 3.600 . 4.680 4.793 4.706 4.874 0.194 17 0 "[ . 1 . 2 ]" 1 1304 1 113 GLU HA 1 114 ILE HG13 2.600 . 3.380 3.622 3.526 3.686 0.306 7 0 "[ . 1 . 2 ]" 1 1305 1 113 GLU HA 1 114 ILE HG12 2.800 . 3.640 3.553 3.437 3.677 0.037 20 0 "[ . 1 . 2 ]" 1 1306 1 113 GLU HA 1 199 LYS HD3 2.700 . 3.510 2.267 1.778 3.584 0.074 8 0 "[ . 1 . 2 ]" 1 1307 1 113 GLU HA 1 199 LYS HD2 2.800 . 3.640 2.742 1.832 3.742 0.102 21 0 "[ . 1 . 2 ]" 1 1308 1 113 GLU HA 1 199 LYS HE3 3.000 . 3.900 3.147 2.079 3.944 0.044 9 0 "[ . 1 . 2 ]" 1 1309 1 113 GLU HA 1 199 LYS HE2 3.000 . 3.900 3.049 1.956 3.935 0.035 5 0 "[ . 1 . 2 ]" 1 1310 1 113 GLU HB3 1 199 LYS QE 3.300 . 4.290 3.180 2.068 4.301 0.011 17 0 "[ . 1 . 2 ]" 1 1311 1 112 PHE HA 1 113 GLU QG 2.900 . 3.770 3.835 3.314 3.924 0.154 5 0 "[ . 1 . 2 ]" 1 1312 1 113 GLU QG 1 115 VAL QG 3.400 . 4.420 4.053 3.174 4.696 0.276 8 0 "[ . 1 . 2 ]" 1 1313 1 113 GLU QG 1 199 LYS QD 2.800 . 3.640 3.658 3.261 3.877 0.237 13 0 "[ . 1 . 2 ]" 1 1314 1 113 GLU QG 1 199 LYS QE 2.600 . 3.380 3.163 2.004 3.545 0.165 6 0 "[ . 1 . 2 ]" 1 1315 1 114 ILE HA 1 123 VAL MG1 3.200 . 4.160 3.792 3.481 4.415 0.255 7 0 "[ . 1 . 2 ]" 1 1316 1 114 ILE HA 1 123 VAL MG2 3.200 . 4.160 3.737 3.232 4.066 . 0 0 "[ . 1 . 2 ]" 1 1317 1 114 ILE HA 1 124 MET ME 3.500 . 4.550 4.515 3.828 4.668 0.118 3 0 "[ . 1 . 2 ]" 1 1318 1 114 ILE QG 1 201 THR HB 2.900 . 3.770 2.453 2.327 2.598 . 0 0 "[ . 1 . 2 ]" 1 1319 1 114 ILE QG 1 199 LYS QD 2.900 . 3.770 2.503 1.827 3.574 . 0 0 "[ . 1 . 2 ]" 1 1320 1 114 ILE MG 1 199 LYS QG 2.800 . 3.640 3.779 3.677 3.906 0.266 2 0 "[ . 1 . 2 ]" 1 1321 1 115 VAL HB 1 122 ASN HB3 2.800 . 3.640 2.844 1.998 3.398 . 0 0 "[ . 1 . 2 ]" 1 1322 1 115 VAL HB 1 122 ASN HB2 2.800 . 3.640 2.380 2.013 3.046 . 0 0 "[ . 1 . 2 ]" 1 1323 1 116 GLY HA3 1 121 ILE QG 3.400 . 4.420 3.933 3.283 4.411 . 0 0 "[ . 1 . 2 ]" 1 1324 1 116 GLY HA3 1 121 ILE MG 3.500 . 4.550 3.878 3.034 4.693 0.143 18 0 "[ . 1 . 2 ]" 1 1325 1 116 GLY HA2 1 121 ILE QG 3.500 . 4.550 3.506 2.696 3.731 . 0 0 "[ . 1 . 2 ]" 1 1326 1 116 GLY HA2 1 121 ILE MG 3.300 . 4.290 3.129 2.038 4.268 . 0 0 "[ . 1 . 2 ]" 1 1327 1 118 THR HA 1 203 LEU HA 3.000 . 3.900 3.981 3.893 4.047 0.147 22 0 "[ . 1 . 2 ]" 1 1328 1 118 THR HA 1 204 PRO HD3 2.600 . 3.380 3.518 3.440 3.649 0.269 14 0 "[ . 1 . 2 ]" 1 1329 1 118 THR HA 1 204 PRO HD2 2.600 . 3.380 1.979 1.855 2.234 . 0 0 "[ . 1 . 2 ]" 1 1330 1 118 THR HA 1 204 PRO HG3 2.600 . 3.380 3.203 3.010 3.536 0.156 2 0 "[ . 1 . 2 ]" 1 1331 1 118 THR HA 1 204 PRO HG2 2.500 . 3.250 1.890 1.764 1.973 0.036 17 0 "[ . 1 . 2 ]" 1 1332 1 118 THR HB 1 204 PRO QD 3.000 . 3.900 4.073 3.844 4.202 0.302 17 0 "[ . 1 . 2 ]" 1 1333 1 118 THR HB 1 204 PRO HG3 2.700 . 3.510 3.705 3.552 3.816 0.306 17 0 "[ . 1 . 2 ]" 1 1334 1 118 THR HB 1 204 PRO HG2 2.800 . 3.640 2.954 2.177 3.344 . 0 0 "[ . 1 . 2 ]" 1 1335 1 120 HIS HA 1 173 LEU QB 3.000 . 3.900 3.650 3.057 3.967 0.067 15 0 "[ . 1 . 2 ]" 1 1336 1 121 ILE HA 1 203 LEU QD 3.200 . 4.160 3.454 2.984 4.074 . 0 0 "[ . 1 . 2 ]" 1 1337 1 121 ILE HB 1 173 LEU QD 3.500 . 4.550 3.411 3.241 4.113 . 0 0 "[ . 1 . 2 ]" 1 1338 1 121 ILE HG13 1 173 LEU QD 3.600 . 4.680 2.126 1.719 4.814 0.134 18 0 "[ . 1 . 2 ]" 1 1339 1 121 ILE HG12 1 173 LEU QD 3.700 . 4.810 3.070 2.148 4.148 . 0 0 "[ . 1 . 2 ]" 1 1340 1 122 ASN HA 1 169 ILE QG 3.000 . 3.900 3.910 3.846 3.951 0.051 3 0 "[ . 1 . 2 ]" 1 1341 1 115 VAL MG1 1 122 ASN HB3 3.400 . 4.420 4.310 3.661 4.503 0.083 18 0 "[ . 1 . 2 ]" 1 1342 1 115 VAL MG2 1 122 ASN HB3 3.400 . 4.420 3.586 2.847 4.383 . 0 0 "[ . 1 . 2 ]" 1 1343 1 122 ASN HB3 1 169 ILE MG 3.700 . 4.810 4.817 3.981 4.893 0.083 12 0 "[ . 1 . 2 ]" 1 1344 1 115 VAL MG1 1 122 ASN HB2 3.200 . 4.160 3.543 3.252 4.078 . 0 0 "[ . 1 . 2 ]" 1 1345 1 115 VAL MG2 1 122 ASN HB2 3.200 . 4.160 3.853 3.512 4.194 0.034 13 0 "[ . 1 . 2 ]" 1 1346 1 122 ASN HB2 1 169 ILE MG 3.500 . 4.550 4.521 3.498 4.604 0.054 10 0 "[ . 1 . 2 ]" 1 1347 1 114 ILE HB 1 123 VAL HA 2.500 . 3.250 3.396 3.336 3.475 0.225 7 0 "[ . 1 . 2 ]" 1 1348 1 123 VAL HB 1 143 ILE MG 3.400 . 4.420 2.875 2.344 3.765 . 0 0 "[ . 1 . 2 ]" 1 1349 1 124 MET HA 1 167 THR MG 3.000 . 3.900 3.948 3.574 4.063 0.163 16 0 "[ . 1 . 2 ]" 1 1350 1 124 MET QB 1 167 THR MG 3.200 . 4.160 3.780 2.237 4.135 . 0 0 "[ . 1 . 2 ]" 1 1351 1 124 MET HG3 1 126 LYS QD 3.300 . 4.290 3.775 2.842 4.326 0.036 19 0 "[ . 1 . 2 ]" 1 1352 1 124 MET HG3 1 126 LYS QG 3.000 . 3.900 4.036 3.979 4.134 0.234 17 0 "[ . 1 . 2 ]" 1 1353 1 124 MET HG3 1 165 ASN HB3 2.800 . 3.640 3.421 2.744 3.673 0.033 21 0 "[ . 1 . 2 ]" 1 1354 1 124 MET HG3 1 165 ASN HB2 2.700 . 3.510 2.860 2.612 2.954 . 0 0 "[ . 1 . 2 ]" 1 1355 1 124 MET HG3 1 167 THR MG 3.200 . 4.160 3.583 2.895 4.027 . 0 0 "[ . 1 . 2 ]" 1 1356 1 124 MET HG2 1 126 LYS QD 3.300 . 4.290 3.491 2.467 4.342 0.052 13 0 "[ . 1 . 2 ]" 1 1357 1 124 MET HG2 1 126 LYS QG 3.000 . 3.900 3.810 3.139 4.055 0.155 4 0 "[ . 1 . 2 ]" 1 1358 1 124 MET HG2 1 165 ASN HB3 2.500 . 3.250 3.122 2.931 3.255 0.005 11 0 "[ . 1 . 2 ]" 1 1359 1 124 MET HG2 1 165 ASN HB2 2.600 . 3.380 2.953 2.788 3.510 0.130 11 0 "[ . 1 . 2 ]" 1 1360 1 124 MET HG2 1 167 THR MG 3.000 . 3.900 4.028 3.910 4.150 0.250 3 0 "[ . 1 . 2 ]" 1 1361 1 112 PHE HB3 1 125 VAL HA 2.700 . 3.510 2.956 2.476 3.693 0.183 21 0 "[ . 1 . 2 ]" 1 1362 1 112 PHE HB2 1 125 VAL HA 2.900 . 3.770 2.127 1.911 2.297 . 0 0 "[ . 1 . 2 ]" 1 1363 1 125 VAL HA 1 126 LYS QD 3.500 . 4.550 3.567 2.513 4.738 0.188 14 0 "[ . 1 . 2 ]" 1 1364 1 125 VAL HA 1 126 LYS QG 3.300 . 4.290 4.044 3.120 4.465 0.175 7 0 "[ . 1 . 2 ]" 1 1365 1 125 VAL HB 1 166 PHE HB3 2.700 . 3.510 2.008 1.887 2.130 . 0 0 "[ . 1 . 2 ]" 1 1366 1 125 VAL HB 1 166 PHE HB2 2.900 . 3.770 2.186 1.967 2.342 . 0 0 "[ . 1 . 2 ]" 1 1367 1 127 PHE HA 1 128 PRO HD3 2.500 . 3.250 2.621 1.993 2.785 . 0 0 "[ . 1 . 2 ]" 1 1368 1 127 PHE HA 1 128 PRO HD2 2.500 . 3.250 2.173 1.865 2.859 . 0 0 "[ . 1 . 2 ]" 1 1369 1 127 PHE HB3 1 128 PRO QD 2.800 . 3.640 2.420 2.242 3.332 . 0 0 "[ . 1 . 2 ]" 1 1370 1 127 PHE HB2 1 128 PRO QD 2.800 . 3.640 3.595 2.586 3.753 0.113 21 0 "[ . 1 . 2 ]" 1 1371 1 130 ILE MG 1 132 GLU HA 3.400 . 4.420 4.309 3.959 4.526 0.106 14 0 "[ . 1 . 2 ]" 1 1372 1 132 GLU HA 1 135 LEU QB 2.800 . 3.640 1.925 1.708 2.858 0.092 18 0 "[ . 1 . 2 ]" 1 1373 1 132 GLU HB3 1 135 LEU QB 2.900 . 3.770 3.435 2.390 3.872 0.102 16 0 "[ . 1 . 2 ]" 1 1374 1 132 GLU HB2 1 135 LEU QB 2.900 . 3.770 3.483 2.811 3.916 0.146 11 0 "[ . 1 . 2 ]" 1 1375 1 141 LEU HA 1 185 LEU QB 2.600 . 3.380 3.248 2.660 3.437 0.057 16 0 "[ . 1 . 2 ]" 1 1376 1 142 VAL HA 1 155 LYS HB3 3.000 . 3.900 3.219 2.733 4.001 0.101 12 0 "[ . 1 . 2 ]" 1 1377 1 142 VAL HA 1 155 LYS HB2 3.100 . 4.030 4.015 2.487 4.127 0.097 4 0 "[ . 1 . 2 ]" 1 1378 1 142 VAL HA 1 156 PRO HD3 2.900 . 3.770 3.720 3.499 3.922 0.152 14 0 "[ . 1 . 2 ]" 1 1379 1 142 VAL HA 1 156 PRO HD2 2.900 . 3.770 3.271 2.472 3.796 0.026 5 0 "[ . 1 . 2 ]" 1 1380 1 143 ILE HB 1 154 HIS HB3 2.800 . 3.640 3.413 3.337 3.497 . 0 0 "[ . 1 . 2 ]" 1 1381 1 143 ILE HB 1 154 HIS HB2 2.700 . 3.510 2.151 1.976 2.577 . 0 0 "[ . 1 . 2 ]" 1 1382 1 143 ILE HG13 1 156 PRO HD3 2.500 . 3.250 2.884 2.402 3.213 . 0 0 "[ . 1 . 2 ]" 1 1383 1 143 ILE HG13 1 156 PRO HD2 2.500 . 3.250 3.375 3.311 3.472 0.222 16 0 "[ . 1 . 2 ]" 1 1384 1 143 ILE HG12 1 156 PRO HD3 2.800 . 3.640 1.832 1.750 1.943 0.050 20 0 "[ . 1 . 2 ]" 1 1385 1 143 ILE HG12 1 156 PRO HD2 2.600 . 3.380 2.724 2.479 3.103 . 0 0 "[ . 1 . 2 ]" 1 1386 1 144 GLU HB3 1 182 SER HB3 2.900 . 3.770 3.346 2.765 3.902 0.132 12 0 "[ . 1 . 2 ]" 1 1387 1 144 GLU HB2 1 182 SER HB3 2.700 . 3.510 2.726 1.851 3.601 0.091 3 0 "[ . 1 . 2 ]" 1 1388 1 144 GLU HB2 1 182 SER HB2 2.900 . 3.770 3.035 1.900 3.847 0.077 21 0 "[ . 1 . 2 ]" 1 1389 1 146 GLN HA 1 151 VAL QG 2.900 . 3.770 3.023 2.725 3.431 . 0 0 "[ . 1 . 2 ]" 1 1390 1 146 GLN HB3 1 151 VAL QG 3.200 . 4.160 3.972 3.368 4.209 0.049 17 0 "[ . 1 . 2 ]" 1 1391 1 146 GLN HB3 1 180 CYS HB3 2.900 . 3.770 3.453 2.972 3.816 0.046 20 0 "[ . 1 . 2 ]" 1 1392 1 146 GLN HB3 1 180 CYS HB2 2.900 . 3.770 2.208 1.800 3.063 . 0 0 "[ . 1 . 2 ]" 1 1393 1 146 GLN HB2 1 151 VAL QG 3.000 . 3.900 3.240 2.760 3.815 . 0 0 "[ . 1 . 2 ]" 1 1394 1 146 GLN HB2 1 180 CYS HB3 2.900 . 3.770 3.758 2.696 3.998 0.228 18 0 "[ . 1 . 2 ]" 1 1395 1 146 GLN HB2 1 180 CYS HB2 2.700 . 3.510 3.014 2.223 3.562 0.052 14 0 "[ . 1 . 2 ]" 1 1396 1 146 GLN QG 1 151 VAL HA 2.500 . 3.250 2.410 1.933 3.249 . 0 0 "[ . 1 . 2 ]" 1 1397 1 146 GLN QG 1 180 CYS HB3 3.500 . 4.550 4.541 4.295 4.657 0.107 17 0 "[ . 1 . 2 ]" 1 1398 1 146 GLN QG 1 180 CYS HB2 3.500 . 4.550 3.595 3.024 4.680 0.130 22 0 "[ . 1 . 2 ]" 1 1399 1 146 GLN QB 1 151 VAL HA 2.700 . 3.510 3.576 3.456 3.753 0.243 18 0 "[ . 1 . 2 ]" 1 1400 1 145 GLU HB3 1 152 LYS QB 2.900 . 3.770 2.710 1.934 3.870 0.100 13 0 "[ . 1 . 2 ]" 1 1401 1 145 GLU HB2 1 152 LYS QB 2.900 . 3.770 3.436 2.024 3.879 0.109 13 0 "[ . 1 . 2 ]" 1 1402 1 144 GLU HB3 1 153 LYS HA 3.000 . 3.900 4.014 3.910 4.164 0.264 17 0 "[ . 1 . 2 ]" 1 1403 1 144 GLU HB2 1 153 LYS HA 3.000 . 3.900 3.981 3.743 4.100 0.200 11 0 "[ . 1 . 2 ]" 1 1404 1 144 GLU HG3 1 153 LYS HA 2.900 . 3.770 2.971 1.996 3.716 . 0 0 "[ . 1 . 2 ]" 1 1405 1 144 GLU HG2 1 153 LYS HA 2.900 . 3.770 2.363 1.773 3.722 0.027 9 0 "[ . 1 . 2 ]" 1 1406 1 143 ILE MG 1 154 HIS HB3 3.500 . 4.550 4.660 4.615 4.703 0.153 2 0 "[ . 1 . 2 ]" 1 1407 1 143 ILE MG 1 154 HIS HB2 3.600 . 4.680 3.812 3.637 4.208 . 0 0 "[ . 1 . 2 ]" 1 1408 1 155 LYS HA 1 156 PRO HD3 2.400 . 3.120 2.537 2.288 2.883 . 0 0 "[ . 1 . 2 ]" 1 1409 1 155 LYS HA 1 156 PRO HD2 2.300 . 2.990 2.366 1.934 2.617 . 0 0 "[ . 1 . 2 ]" 1 1410 1 143 ILE MD 1 156 PRO HA 3.600 . 4.680 4.880 4.828 4.946 0.266 20 0 "[ . 1 . 2 ]" 1 1411 1 158 ILE HA 1 161 ASN HB3 2.800 . 3.640 2.662 1.928 3.676 0.036 20 0 "[ . 1 . 2 ]" 1 1412 1 158 ILE HA 1 161 ASN HB2 2.800 . 3.640 2.034 1.907 2.446 . 0 0 "[ . 1 . 2 ]" 1 1413 1 158 ILE MG 1 159 LYS HA 3.700 . 4.810 4.505 4.228 4.849 0.039 15 0 "[ . 1 . 2 ]" 1 1414 1 129 SER HA 1 164 GLY HA3 2.800 . 3.640 3.709 3.542 3.776 0.136 17 0 "[ . 1 . 2 ]" 1 1415 1 129 SER HA 1 164 GLY HA2 2.800 . 3.640 3.429 3.222 3.768 0.128 16 0 "[ . 1 . 2 ]" 1 1416 1 126 LYS QB 1 165 ASN HA 3.300 . 4.290 3.696 3.037 3.926 . 0 0 "[ . 1 . 2 ]" 1 1417 1 126 LYS QG 1 165 ASN HA 3.000 . 3.900 2.932 2.187 3.727 . 0 0 "[ . 1 . 2 ]" 1 1418 1 124 MET QB 1 165 ASN HB3 3.400 . 4.420 4.493 4.451 4.545 0.125 17 0 "[ . 1 . 2 ]" 1 1419 1 124 MET QB 1 165 ASN HB2 3.400 . 4.420 4.438 4.097 4.510 0.090 17 0 "[ . 1 . 2 ]" 1 1420 1 125 VAL QG 1 166 PHE HA 3.800 . 4.940 4.755 4.615 4.865 . 0 0 "[ . 1 . 2 ]" 1 1421 1 124 MET QB 1 167 THR HA 3.100 . 4.030 3.836 2.288 4.195 0.165 17 0 "[ . 1 . 2 ]" 1 1422 1 124 MET HG3 1 167 THR HA 3.100 . 4.030 3.494 3.095 4.207 0.177 11 0 "[ . 1 . 2 ]" 1 1423 1 124 MET HG2 1 167 THR HA 3.300 . 4.290 4.502 4.202 4.605 0.315 17 0 "[ . 1 . 2 ]" 1 1424 1 121 ILE HB 1 170 ILE HB 2.600 . 3.380 2.011 1.757 3.732 0.352 18 0 "[ . 1 . 2 ]" 1 1425 1 120 HIS HB3 1 171 ASP HA 2.400 . 3.120 2.886 2.544 3.130 0.010 20 0 "[ . 1 . 2 ]" 1 1426 1 120 HIS HB2 1 171 ASP HA 2.500 . 3.250 3.231 2.799 3.316 0.066 14 0 "[ . 1 . 2 ]" 1 1427 1 174 ILE HA 1 175 PRO HD3 2.300 . 2.990 2.235 1.947 2.513 . 0 0 "[ . 1 . 2 ]" 1 1428 1 174 ILE HA 1 175 PRO HD2 2.400 . 3.120 2.468 2.123 2.736 . 0 0 "[ . 1 . 2 ]" 1 1429 1 176 ASN HA 1 202 LEU HG 2.800 . 3.640 3.660 3.471 3.793 0.153 12 0 "[ . 1 . 2 ]" 1 1430 1 178 ASN HA 1 202 LEU HB3 3.100 . 4.030 4.075 3.999 4.135 0.105 17 0 "[ . 1 . 2 ]" 1 1431 1 178 ASN HA 1 202 LEU HB2 3.100 . 4.030 2.770 2.684 3.114 . 0 0 "[ . 1 . 2 ]" 1 1432 1 147 SER QB 1 179 TYR HA 2.600 . 3.380 3.389 3.284 3.462 0.082 7 0 "[ . 1 . 2 ]" 1 1433 1 180 CYS HA 1 200 CYS QB 3.000 . 3.900 3.630 3.313 3.868 . 0 0 "[ . 1 . 2 ]" 1 1434 1 180 CYS HA 1 198 LEU MD1 3.500 . 4.160 4.351 4.267 4.517 0.357 14 0 "[ . 1 . 2 ]" 1 1435 1 180 CYS HA 1 198 LEU MD2 3.600 . 4.160 3.885 3.571 4.336 0.176 9 0 "[ . 1 . 2 ]" 1 1436 1 114 ILE QG 1 181 VAL HB 3.000 . 3.900 2.806 2.492 4.016 0.116 22 0 "[ . 1 . 2 ]" 1 1437 1 114 ILE MG 1 181 VAL HB 3.000 . 3.900 2.291 2.000 3.231 . 0 0 "[ . 1 . 2 ]" 1 1438 1 140 SER QB 1 186 GLU QB 3.100 . 4.030 3.741 2.294 4.163 0.133 20 0 "[ . 1 . 2 ]" 1 1439 1 140 SER QB 1 186 GLU HG3 3.200 . 4.160 2.882 2.009 4.198 0.038 15 0 "[ . 1 . 2 ]" 1 1440 1 140 SER QB 1 186 GLU HG2 3.300 . 4.290 3.532 2.587 4.349 0.059 21 0 "[ . 1 . 2 ]" 1 1441 1 189 ASP HB3 1 192 ALA MB 3.300 . 4.290 3.539 2.812 4.231 . 0 0 "[ . 1 . 2 ]" 1 1442 1 189 ASP HB2 1 192 ALA MB 3.300 . 4.160 3.712 2.993 4.157 . 0 0 "[ . 1 . 2 ]" 1 1443 1 190 GLU HA 1 193 VAL MG1 3.100 . 4.030 3.653 3.435 4.085 0.055 13 0 "[ . 1 . 2 ]" 1 1444 1 190 GLU HA 1 193 VAL MG2 3.200 . 4.160 4.248 4.220 4.301 0.141 15 0 "[ . 1 . 2 ]" 1 1445 1 190 GLU QG 1 193 VAL QG 2.900 . 3.770 3.155 2.773 3.767 . 0 0 "[ . 1 . 2 ]" 1 1446 1 184 TYR HB2 1 195 LYS HA 2.500 . 3.250 3.254 3.106 3.357 0.107 12 0 "[ . 1 . 2 ]" 1 1447 1 184 TYR HB3 1 195 LYS HA 2.400 . 3.120 1.750 1.709 1.800 0.091 9 0 "[ . 1 . 2 ]" 1 1448 1 196 SER HA 1 197 PRO HD3 2.500 . 3.250 2.196 2.129 2.448 . 0 0 "[ . 1 . 2 ]" 1 1449 1 196 SER HA 1 197 PRO HD2 2.500 . 3.250 2.960 2.803 3.334 0.084 18 0 "[ . 1 . 2 ]" 1 1450 1 196 SER HB3 1 197 PRO HD3 2.800 . 3.640 3.551 2.462 3.765 0.125 18 0 "[ . 1 . 2 ]" 1 1451 1 196 SER HB3 1 197 PRO HD2 2.800 . 3.640 3.148 1.937 3.438 . 0 0 "[ . 1 . 2 ]" 1 1452 1 196 SER HB2 1 197 PRO HD3 2.800 . 3.640 3.055 2.197 3.647 0.007 21 0 "[ . 1 . 2 ]" 1 1453 1 196 SER HB2 1 197 PRO HD2 2.800 . 3.640 2.043 1.913 2.627 . 0 0 "[ . 1 . 2 ]" 1 1454 1 180 CYS HB3 1 198 LEU HB3 2.900 . 3.770 2.107 1.757 3.162 0.043 18 0 "[ . 1 . 2 ]" 1 1455 1 180 CYS HB2 1 198 LEU HB3 2.800 . 3.640 3.522 2.966 3.882 0.242 9 0 "[ . 1 . 2 ]" 1 1456 1 180 CYS HB3 1 198 LEU HB2 2.800 . 3.640 2.408 1.942 3.305 . 0 0 "[ . 1 . 2 ]" 1 1457 1 180 CYS HB2 1 198 LEU HB2 2.800 . 3.640 3.774 3.330 4.026 0.386 18 0 "[ . 1 . 2 ]" 1 1458 1 114 ILE QG 1 201 THR HA 3.600 . 4.680 4.865 4.808 4.925 0.245 6 0 "[ . 1 . 2 ]" 1 1459 1 178 ASN HB3 1 202 LEU HA 2.600 . 3.380 3.469 3.436 3.615 0.235 13 0 "[ . 1 . 2 ]" 1 1460 1 178 ASN HB2 1 202 LEU HA 2.800 . 3.640 3.741 3.719 3.832 0.192 13 0 "[ . 1 . 2 ]" 1 1461 1 203 LEU HA 1 204 PRO HD3 2.500 . 3.250 2.714 2.530 2.851 . 0 0 "[ . 1 . 2 ]" 1 1462 1 203 LEU HA 1 204 PRO HD2 2.400 . 3.120 2.453 2.397 2.529 . 0 0 "[ . 1 . 2 ]" 1 1463 1 176 ASN HA 1 205 PRO HA 2.700 . 3.510 2.591 2.303 3.231 . 0 0 "[ . 1 . 2 ]" 1 1464 1 176 ASN HB3 1 205 PRO HA 2.400 . 3.120 3.227 3.125 3.288 0.168 4 0 "[ . 1 . 2 ]" 1 1465 1 176 ASN HB2 1 205 PRO HA 2.700 . 3.510 2.431 1.930 3.572 0.062 12 0 "[ . 1 . 2 ]" 1 1466 1 101 LEU QD 1 104 ASP QB 3.300 . 4.290 4.389 4.326 4.440 0.150 11 0 "[ . 1 . 2 ]" 1 1467 1 101 LEU QD 1 105 MET HA 3.500 . 4.550 3.748 3.361 3.986 . 0 0 "[ . 1 . 2 ]" 1 1468 1 114 ILE MD 1 181 VAL HB 3.000 . 3.900 2.172 1.903 3.424 . 0 0 "[ . 1 . 2 ]" 1 1469 1 114 ILE MD 1 180 CYS HA 3.600 . 4.680 3.483 3.223 3.674 . 0 0 "[ . 1 . 2 ]" 1 1470 1 114 ILE MD 1 199 LYS HA 3.300 . 4.290 3.944 3.672 4.420 0.130 22 0 "[ . 1 . 2 ]" 1 1471 1 114 ILE MD 1 199 LYS QB 3.300 . 4.290 2.368 1.912 2.904 . 0 0 "[ . 1 . 2 ]" 1 1472 1 114 ILE MD 1 200 CYS HA 3.300 . 4.290 3.251 2.924 3.368 . 0 0 "[ . 1 . 2 ]" 1 1473 1 114 ILE MD 1 201 THR HA 3.300 . 4.290 3.610 3.512 3.728 . 0 0 "[ . 1 . 2 ]" 1 1474 1 114 ILE MD 1 201 THR HB 2.700 . 3.510 1.854 1.812 2.018 . 0 0 "[ . 1 . 2 ]" 1 1475 1 115 VAL QG 1 117 PHE QD 3.900 . 5.070 3.185 2.656 3.603 . 0 0 "[ . 1 . 2 ]" 1 1476 1 115 VAL QG 1 122 ASN HB3 3.400 . 4.420 3.413 2.754 3.956 . 0 0 "[ . 1 . 2 ]" 1 1477 1 115 VAL QG 1 122 ASN HB2 3.200 . 4.160 3.271 3.027 3.682 . 0 0 "[ . 1 . 2 ]" 1 1478 1 118 THR MG 1 206 GLY HA3 3.200 . 4.160 4.241 4.181 4.274 0.114 15 0 "[ . 1 . 2 ]" 1 1479 1 118 THR MG 1 206 GLY HA2 3.200 . 4.160 4.278 4.247 4.340 0.180 17 0 "[ . 1 . 2 ]" 1 1480 1 116 GLY HA3 1 121 ILE MD 3.700 . 4.810 4.947 4.858 5.009 0.199 7 0 "[ . 1 . 2 ]" 1 1481 1 116 GLY HA2 1 121 ILE MD 3.700 . 4.810 4.756 4.352 4.842 0.032 12 0 "[ . 1 . 2 ]" 1 1482 1 121 ILE MD 1 145 GLU HB3 3.300 . 4.290 4.367 4.060 4.504 0.214 6 0 "[ . 1 . 2 ]" 1 1483 1 121 ILE MD 1 170 ILE HA 3.300 . 4.290 4.399 4.199 4.438 0.148 11 0 "[ . 1 . 2 ]" 1 1484 1 121 ILE MD 1 170 ILE HB 2.600 . 3.380 1.775 1.718 1.922 0.082 17 0 "[ . 1 . 2 ]" 1 1485 1 121 ILE MD 1 170 ILE QG 2.300 . 2.990 3.030 2.810 3.217 0.227 13 0 "[ . 1 . 2 ]" 1 1486 1 121 ILE MD 1 173 LEU MD1 3.700 . 4.810 2.674 2.041 3.635 . 0 0 "[ . 1 . 2 ]" 1 1487 1 121 ILE MD 1 173 LEU MD2 4.000 . 5.200 2.206 1.762 3.395 0.038 13 0 "[ . 1 . 2 ]" 1 1488 1 121 ILE MD 1 179 TYR HA 3.600 . 4.680 4.868 4.603 4.979 0.299 18 0 "[ . 1 . 2 ]" 1 1489 1 121 ILE MD 1 179 TYR HB3 3.200 . 4.160 3.201 3.019 4.175 0.015 22 0 "[ . 1 . 2 ]" 1 1490 1 121 ILE MD 1 179 TYR HB2 3.200 . 4.160 3.359 3.168 3.673 . 0 0 "[ . 1 . 2 ]" 1 1491 1 121 ILE MD 1 179 TYR QD 3.600 . 4.420 2.423 2.346 2.731 . 0 0 "[ . 1 . 2 ]" 1 1492 1 122 ASN QB 1 124 MET ME 3.200 . 4.160 3.365 2.790 4.323 0.163 10 0 "[ . 1 . 2 ]" 1 1493 1 124 MET ME 1 165 ASN HA 4.400 . 5.720 5.768 5.452 5.868 0.148 20 0 "[ . 1 . 2 ]" 1 1494 1 110 PRO HB3 1 125 VAL QG 2.900 . 3.770 3.838 3.783 3.890 0.120 16 0 "[ . 1 . 2 ]" 1 1495 1 110 PRO HB2 1 125 VAL QG 3.100 . 4.030 3.691 2.863 3.994 . 0 0 "[ . 1 . 2 ]" 1 1496 1 123 VAL HA 1 125 VAL QG 3.700 . 4.810 4.840 4.625 4.932 0.122 6 0 "[ . 1 . 2 ]" 1 1497 1 123 VAL QG 1 125 VAL QG 4.200 . 5.460 2.438 2.153 2.666 . 0 0 "[ . 1 . 2 ]" 1 1498 1 125 VAL QG 1 127 PHE QD 4.200 . 5.460 2.729 2.059 3.362 . 0 0 "[ . 1 . 2 ]" 1 1499 1 125 VAL QG 1 127 PHE QE 3.700 . 4.550 2.416 1.887 2.932 . 0 0 "[ . 1 . 2 ]" 1 1500 1 125 VAL QG 1 143 ILE MD 4.100 . 5.330 2.964 2.728 3.124 . 0 0 "[ . 1 . 2 ]" 1 1501 1 125 VAL QG 1 166 PHE HB3 3.500 . 4.550 2.500 2.258 2.738 . 0 0 "[ . 1 . 2 ]" 1 1502 1 125 VAL QG 1 166 PHE QE 3.900 . 5.070 4.216 4.003 4.524 . 0 0 "[ . 1 . 2 ]" 1 1503 1 125 VAL QG 1 168 TYR QD 3.900 . 5.070 5.098 4.906 5.204 0.134 11 0 "[ . 1 . 2 ]" 1 1504 1 125 VAL QG 1 181 VAL QG 3.400 . 4.420 3.714 3.516 3.927 . 0 0 "[ . 1 . 2 ]" 1 1505 1 125 VAL QG 1 183 VAL HB 3.200 . 4.160 3.513 3.333 3.713 . 0 0 "[ . 1 . 2 ]" 1 1506 1 130 ILE MD 1 132 GLU HA 2.700 . 3.510 2.340 2.167 2.573 . 0 0 "[ . 1 . 2 ]" 1 1507 1 130 ILE MD 1 132 GLU QG 3.200 . 4.160 3.727 2.332 4.268 0.108 12 0 "[ . 1 . 2 ]" 1 1508 1 130 ILE MD 1 132 GLU HB2 3.200 . 4.160 4.141 3.445 4.284 0.124 15 0 "[ . 1 . 2 ]" 1 1509 1 130 ILE MD 1 132 GLU HB3 3.200 . 4.160 3.695 3.075 4.297 0.137 20 0 "[ . 1 . 2 ]" 1 1510 1 132 GLU HA 1 135 LEU QD 2.600 . 3.380 2.227 1.710 2.795 0.090 9 0 "[ . 1 . 2 ]" 1 1511 1 132 GLU HB3 1 135 LEU MD1 2.900 . 3.770 3.588 3.209 3.969 0.199 21 0 "[ . 1 . 2 ]" 1 1512 1 132 GLU HB2 1 135 LEU MD1 3.300 . 4.290 3.631 2.832 4.471 0.181 15 0 "[ . 1 . 2 ]" 1 1513 1 132 GLU QG 1 135 LEU MD1 3.600 . 4.680 4.060 2.031 4.777 0.097 12 0 "[ . 1 . 2 ]" 1 1514 1 132 GLU QG 1 135 LEU MD2 3.200 . 4.160 3.645 1.799 4.290 0.130 14 0 "[ . 1 . 2 ]" 1 1515 1 132 GLU HB3 1 135 LEU MD2 3.200 . 4.160 3.338 1.832 4.252 0.092 20 0 "[ . 1 . 2 ]" 1 1516 1 132 GLU HB2 1 135 LEU MD2 3.200 . 4.160 3.127 1.932 4.337 0.177 15 0 "[ . 1 . 2 ]" 1 1517 1 135 LEU QD 1 137 PHE HB3 3.700 . 4.810 3.682 1.818 4.913 0.103 1 0 "[ . 1 . 2 ]" 1 1518 1 135 LEU QD 1 137 PHE HB2 3.700 . 4.810 3.648 1.823 4.892 0.082 6 0 "[ . 1 . 2 ]" 1 1519 1 137 PHE HB3 1 139 LEU MD1 3.300 . 4.290 4.251 3.749 4.362 0.072 2 0 "[ . 1 . 2 ]" 1 1520 1 137 PHE QD 1 139 LEU MD1 3.900 . 4.940 3.768 2.701 4.501 . 0 0 "[ . 1 . 2 ]" 1 1521 1 137 PHE HA 1 139 LEU QD 3.500 . 4.550 4.361 3.619 4.612 0.062 3 0 "[ . 1 . 2 ]" 1 1522 1 137 PHE HB3 1 139 LEU MD2 3.300 . 4.290 3.155 1.961 4.417 0.127 21 0 "[ . 1 . 2 ]" 1 1523 1 137 PHE HB2 1 139 LEU MD2 3.300 . 4.290 3.627 1.801 4.328 0.038 17 0 "[ . 1 . 2 ]" 1 1524 1 137 PHE QD 1 139 LEU MD2 3.900 . 4.940 2.518 1.886 3.679 . 0 0 "[ . 1 . 2 ]" 1 1525 1 139 LEU QD 1 185 LEU HB3 4.000 . 5.200 3.236 2.400 4.150 . 0 0 "[ . 1 . 2 ]" 1 1526 1 139 LEU QD 1 185 LEU HB2 4.000 . 5.200 3.113 2.262 4.031 . 0 0 "[ . 1 . 2 ]" 1 1527 1 141 LEU QD 1 156 PRO HD3 3.400 . 4.420 4.397 4.177 4.507 0.087 16 0 "[ . 1 . 2 ]" 1 1528 1 141 LEU QD 1 156 PRO HD2 3.400 . 4.420 3.415 3.259 3.670 . 0 0 "[ . 1 . 2 ]" 1 1529 1 141 LEU QD 1 158 ILE MD 3.400 . 4.420 2.919 2.601 3.219 . 0 0 "[ . 1 . 2 ]" 1 1530 1 141 LEU QD 1 158 ILE MG 3.200 2.100 4.070 3.938 3.302 4.210 0.140 3 0 "[ . 1 . 2 ]" 1 1531 1 141 LEU QD 1 166 PHE QD 3.500 . 4.550 3.573 2.439 4.442 . 0 0 "[ . 1 . 2 ]" 1 1532 1 141 LEU QD 1 166 PHE QE 3.600 . 4.680 3.496 2.480 4.464 . 0 0 "[ . 1 . 2 ]" 1 1533 1 141 LEU QD 1 183 VAL MG1 4.100 . 5.330 1.784 1.656 1.993 0.144 7 0 "[ . 1 . 2 ]" 1 1534 1 141 LEU QD 1 183 VAL MG2 3.800 2.300 4.790 3.350 3.180 3.562 . 0 0 "[ . 1 . 2 ]" 1 1535 1 141 LEU QD 1 185 LEU HA 3.400 . 4.420 3.000 2.233 4.440 0.020 14 0 "[ . 1 . 2 ]" 1 1536 1 140 SER HB3 1 142 VAL QG 3.200 . 4.160 3.923 3.122 4.343 0.183 12 0 "[ . 1 . 2 ]" 1 1537 1 142 VAL QG 1 144 GLU HA 3.500 . 4.550 3.872 3.605 4.424 . 0 0 "[ . 1 . 2 ]" 1 1538 1 142 VAL QG 1 144 GLU HB3 3.700 . 4.810 4.849 4.630 4.911 0.101 3 0 "[ . 1 . 2 ]" 1 1539 1 142 VAL QG 1 144 GLU HB2 3.500 . 4.550 3.750 3.454 4.072 . 0 0 "[ . 1 . 2 ]" 1 1540 1 142 VAL QG 1 144 GLU QG 3.500 . 4.550 3.001 2.381 3.800 . 0 0 "[ . 1 . 2 ]" 1 1541 1 142 VAL QG 1 153 LYS HA 3.000 . 3.900 3.395 2.986 4.004 0.104 6 0 "[ . 1 . 2 ]" 1 1542 1 142 VAL QG 1 153 LYS QB 2.700 . 3.510 2.566 1.951 3.365 . 0 0 "[ . 1 . 2 ]" 1 1543 1 142 VAL QG 1 155 LYS HA 3.300 . 4.290 3.131 2.740 3.747 . 0 0 "[ . 1 . 2 ]" 1 1544 1 142 VAL QG 1 155 LYS QB 2.800 . 3.640 2.369 1.921 3.735 0.095 12 0 "[ . 1 . 2 ]" 1 1545 1 142 VAL QG 1 155 LYS QG 2.600 . 3.380 3.311 2.048 3.456 0.076 4 0 "[ . 1 . 2 ]" 1 1546 1 142 VAL QG 1 184 TYR QB 3.200 . 4.160 3.820 3.197 4.229 0.069 14 0 "[ . 1 . 2 ]" 1 1547 1 142 VAL QG 1 184 TYR QD 3.600 . 4.420 2.571 2.323 2.894 . 0 0 "[ . 1 . 2 ]" 1 1548 1 142 VAL QG 1 184 TYR QE 3.100 . 4.030 2.085 1.845 2.422 . 0 0 "[ . 1 . 2 ]" 1 1549 1 142 VAL QG 1 186 GLU HB3 3.000 . 3.900 2.678 1.837 3.984 0.084 12 0 "[ . 1 . 2 ]" 1 1550 1 142 VAL QG 1 186 GLU HB2 3.000 . 3.900 3.365 2.879 3.728 . 0 0 "[ . 1 . 2 ]" 1 1551 1 142 VAL QG 1 186 GLU HG3 3.000 . 3.900 2.505 1.873 3.301 . 0 0 "[ . 1 . 2 ]" 1 1552 1 142 VAL QG 1 186 GLU HG2 3.000 . 3.900 1.931 1.786 3.442 0.014 12 0 "[ . 1 . 2 ]" 1 1553 1 140 SER QB 1 143 ILE MD 3.900 . 5.070 5.351 5.258 5.445 0.375 16 0 "[ . 1 . 2 ]" 1 1554 1 141 LEU HA 1 143 ILE MD 3.500 . 4.550 4.379 4.076 4.648 0.098 8 0 "[ . 1 . 2 ]" 1 1555 1 143 ILE MD 1 154 HIS HB3 3.300 2.200 4.170 4.029 3.662 4.237 0.067 3 0 "[ . 1 . 2 ]" 1 1556 1 143 ILE MD 1 154 HIS HB2 3.500 . 4.550 3.785 3.306 4.465 . 0 0 "[ . 1 . 2 ]" 1 1557 1 143 ILE MD 1 155 LYS HA 3.400 . 4.420 2.891 2.068 3.229 . 0 0 "[ . 1 . 2 ]" 1 1558 1 143 ILE MD 1 156 PRO HD3 3.500 . 4.550 2.418 2.087 2.651 . 0 0 "[ . 1 . 2 ]" 1 1559 1 143 ILE MD 1 156 PRO HD2 3.500 . 4.550 1.768 1.722 1.795 0.078 16 0 "[ . 1 . 2 ]" 1 1560 1 143 ILE MD 1 168 TYR HB3 3.200 . 4.160 4.200 3.893 4.270 0.110 11 0 "[ . 1 . 2 ]" 1 1561 1 143 ILE MD 1 168 TYR HB2 3.200 . 4.160 3.688 3.400 3.779 . 0 0 "[ . 1 . 2 ]" 1 1562 1 143 ILE MD 1 168 TYR QD 3.200 . 4.160 3.498 3.092 3.890 . 0 0 "[ . 1 . 2 ]" 1 1563 1 143 ILE MD 1 168 TYR QE 3.700 . 4.550 4.387 3.988 4.610 0.060 5 0 "[ . 1 . 2 ]" 1 1564 1 143 ILE MD 1 183 VAL HA 3.200 . 4.160 4.033 3.759 4.169 0.009 9 0 "[ . 1 . 2 ]" 1 1565 1 143 ILE MG 1 168 TYR QD 4.000 . 5.200 3.435 2.601 3.709 . 0 0 "[ . 1 . 2 ]" 1 1566 1 143 ILE MG 1 168 TYR QE 3.900 . 4.810 4.324 4.062 4.620 . 0 0 "[ . 1 . 2 ]" 1 1567 1 143 ILE MG 1 181 VAL HA 3.500 . 4.550 4.623 4.523 4.722 0.172 13 0 "[ . 1 . 2 ]" 1 1568 1 143 ILE MG 1 183 VAL HA 3.400 . 4.420 3.741 3.484 3.958 . 0 0 "[ . 1 . 2 ]" 1 1569 1 143 ILE MG 1 183 VAL MG1 3.700 . 4.810 3.728 3.329 3.945 . 0 0 "[ . 1 . 2 ]" 1 1570 1 143 ILE MG 1 183 VAL MG2 3.500 . 4.550 3.255 2.911 4.023 . 0 0 "[ . 1 . 2 ]" 1 1571 1 147 SER HA 1 150 ILE MD 3.100 . 4.030 4.155 4.046 4.214 0.184 1 0 "[ . 1 . 2 ]" 1 1572 1 147 SER QB 1 150 ILE MD 3.700 . 4.810 2.814 1.880 3.379 . 0 0 "[ . 1 . 2 ]" 1 1573 1 148 GLU HB2 1 150 ILE MD 3.200 . 4.160 3.694 3.301 4.220 0.060 19 0 "[ . 1 . 2 ]" 1 1574 1 148 GLU HG3 1 150 ILE MD 3.500 . 4.550 3.719 1.817 4.602 0.052 3 0 "[ . 1 . 2 ]" 1 1575 1 140 SER HA 1 158 ILE MD 3.300 . 4.290 3.373 2.992 3.514 . 0 0 "[ . 1 . 2 ]" 1 1576 1 140 SER QB 1 158 ILE MD 3.600 . 4.680 3.346 3.067 3.665 . 0 0 "[ . 1 . 2 ]" 1 1577 1 141 LEU HA 1 158 ILE MD 3.600 . 4.680 3.583 3.389 3.695 . 0 0 "[ . 1 . 2 ]" 1 1578 1 141 LEU HB3 1 158 ILE MD 2.600 . 3.380 1.804 1.709 1.949 0.091 1 0 "[ . 1 . 2 ]" 1 1579 1 141 LEU HB2 1 158 ILE MD 2.500 . 3.250 2.423 1.864 3.280 0.030 18 0 "[ . 1 . 2 ]" 1 1580 1 158 ILE MD 1 161 ASN HA 4.000 . 5.200 5.358 5.282 5.489 0.289 13 0 "[ . 1 . 2 ]" 1 1581 1 158 ILE MD 1 161 ASN HB3 3.600 . 4.680 3.160 2.757 3.816 . 0 0 "[ . 1 . 2 ]" 1 1582 1 158 ILE MD 1 161 ASN HB2 3.600 . 4.680 3.384 2.635 4.041 . 0 0 "[ . 1 . 2 ]" 1 1583 1 158 ILE MD 1 162 MET HA 3.600 . 4.680 4.749 4.581 4.825 0.145 2 0 "[ . 1 . 2 ]" 1 1584 1 158 ILE MD 1 162 MET QB 3.500 . 4.550 4.403 4.096 4.644 0.094 19 0 "[ . 1 . 2 ]" 1 1585 1 158 ILE MD 1 162 MET QG 3.100 . 4.030 3.006 2.700 3.343 . 0 0 "[ . 1 . 2 ]" 1 1586 1 158 ILE MD 1 166 PHE QD 3.900 . 5.070 3.736 3.608 3.854 . 0 0 "[ . 1 . 2 ]" 1 1587 1 158 ILE MD 1 166 PHE QE 3.700 . 4.290 1.819 1.752 2.033 0.048 2 0 "[ . 1 . 2 ]" 1 1588 1 140 SER HA 1 158 ILE MG 3.300 . 4.290 3.078 1.994 3.830 . 0 0 "[ . 1 . 2 ]" 1 1589 1 141 LEU HB3 1 158 ILE MG 2.700 . 3.510 3.386 2.523 3.602 0.092 11 0 "[ . 1 . 2 ]" 1 1590 1 141 LEU HB2 1 158 ILE MG 2.600 . 3.380 2.996 2.522 3.438 0.058 7 0 "[ . 1 . 2 ]" 1 1591 1 158 ILE MG 1 162 MET HA 3.400 . 4.420 3.477 3.131 3.890 . 0 0 "[ . 1 . 2 ]" 1 1592 1 158 ILE MG 1 162 MET QG 3.600 . 4.680 1.816 1.746 1.910 0.054 11 0 "[ . 1 . 2 ]" 1 1593 1 158 ILE MG 1 166 PHE QE 3.300 . 4.290 2.174 1.842 2.685 . 0 0 "[ . 1 . 2 ]" 1 1594 1 158 ILE MG 1 166 PHE HZ 3.300 . 4.290 3.525 3.009 4.056 . 0 0 "[ . 1 . 2 ]" 1 1595 1 139 LEU HB3 1 162 MET ME 3.400 . 4.420 4.139 2.913 4.719 0.299 18 0 "[ . 1 . 2 ]" 1 1596 1 139 LEU HB2 1 162 MET ME 3.400 . 4.420 3.769 2.976 4.471 0.051 22 0 "[ . 1 . 2 ]" 1 1597 1 140 SER HA 1 162 MET ME 4.000 . 5.200 2.422 1.784 3.056 0.016 14 0 "[ . 1 . 2 ]" 1 1598 1 140 SER HB3 1 162 MET ME 3.900 . 5.070 4.171 3.535 4.689 . 0 0 "[ . 1 . 2 ]" 1 1599 1 140 SER HB2 1 162 MET ME 3.900 . 5.070 4.556 4.076 5.073 0.003 15 0 "[ . 1 . 2 ]" 1 1600 1 158 ILE MD 1 162 MET ME 4.100 . 5.330 2.534 2.127 2.852 . 0 0 "[ . 1 . 2 ]" 1 1601 1 158 ILE QG 1 162 MET ME 4.100 . 5.330 2.504 1.932 3.247 . 0 0 "[ . 1 . 2 ]" 1 1602 1 158 ILE MG 1 162 MET ME 4.100 . 5.330 1.780 1.718 1.865 0.082 8 0 "[ . 1 . 2 ]" 1 1603 1 167 THR MG 1 169 ILE MD 2.800 . 3.640 3.381 3.046 3.670 0.030 14 0 "[ . 1 . 2 ]" 1 1604 1 120 HIS HD2 1 169 ILE MD 3.300 . 4.290 4.087 3.515 4.298 0.008 15 0 "[ . 1 . 2 ]" 1 1605 1 122 ASN HA 1 169 ILE MD 3.000 . 3.900 1.879 1.808 1.949 . 0 0 "[ . 1 . 2 ]" 1 1606 1 122 ASN HB3 1 169 ILE MD 3.500 . 4.550 3.256 2.311 3.604 . 0 0 "[ . 1 . 2 ]" 1 1607 1 122 ASN HB2 1 169 ILE MD 3.400 . 4.420 3.653 2.660 3.833 . 0 0 "[ . 1 . 2 ]" 1 1608 1 167 THR HB 1 169 ILE MD 3.700 . 4.810 4.531 4.073 4.822 0.012 9 0 "[ . 1 . 2 ]" 1 1609 1 120 HIS HA 1 169 ILE MG 3.200 . 4.160 4.311 4.197 4.409 0.249 9 0 "[ . 1 . 2 ]" 1 1610 1 120 HIS HB3 1 169 ILE MG 3.000 . 3.900 3.650 3.403 3.937 0.037 13 0 "[ . 1 . 2 ]" 1 1611 1 120 HIS HB2 1 169 ILE MG 3.100 . 4.030 2.639 2.327 2.810 . 0 0 "[ . 1 . 2 ]" 1 1612 1 120 HIS HD2 1 169 ILE MG 2.900 . 3.640 3.181 2.539 3.534 . 0 0 "[ . 1 . 2 ]" 1 1613 1 122 ASN HA 1 169 ILE MG 3.000 . 3.900 2.946 2.695 3.130 . 0 0 "[ . 1 . 2 ]" 1 1614 1 169 ILE MG 1 171 ASP HA 3.100 . 4.030 3.691 3.408 3.930 . 0 0 "[ . 1 . 2 ]" 1 1615 1 169 ILE MG 1 171 ASP HB3 3.000 . 3.900 2.844 2.559 3.983 0.083 14 0 "[ . 1 . 2 ]" 1 1616 1 169 ILE MG 1 171 ASP HB2 3.000 . 3.900 3.840 2.589 3.970 0.070 1 0 "[ . 1 . 2 ]" 1 1617 1 170 ILE MD 1 173 LEU MD1 3.700 . 4.810 4.276 3.901 4.878 0.068 17 0 "[ . 1 . 2 ]" 1 1618 1 170 ILE MD 1 173 LEU MD2 3.700 . 4.810 4.110 3.865 4.766 . 0 0 "[ . 1 . 2 ]" 1 1619 1 145 GLU HA 1 170 ILE MD 3.200 . 4.160 3.436 3.199 4.186 0.026 13 0 "[ . 1 . 2 ]" 1 1620 1 145 GLU HB3 1 170 ILE MD 3.000 . 3.900 3.609 3.040 4.002 0.102 15 0 "[ . 1 . 2 ]" 1 1621 1 145 GLU HB2 1 170 ILE MD 3.000 . 3.900 2.688 1.819 3.983 0.083 22 0 "[ . 1 . 2 ]" 1 1622 1 145 GLU HA 1 170 ILE MG 3.400 . 4.420 4.511 4.439 4.639 0.219 18 0 "[ . 1 . 2 ]" 1 1623 1 145 GLU HB3 1 170 ILE MG 3.100 . 4.030 3.132 2.535 3.571 . 0 0 "[ . 1 . 2 ]" 1 1624 1 145 GLU HB2 1 170 ILE MG 3.100 . 4.030 2.723 2.356 3.559 . 0 0 "[ . 1 . 2 ]" 1 1625 1 170 ILE MD 1 181 VAL HA 3.700 . 4.810 4.398 4.182 4.894 0.084 13 0 "[ . 1 . 2 ]" 1 1626 1 120 HIS HA 1 173 LEU MD1 3.700 . 4.810 2.734 1.778 4.834 0.024 13 0 "[ . 1 . 2 ]" 1 1627 1 145 GLU HG3 1 173 LEU QD 3.400 . 4.420 3.692 3.171 4.506 0.086 13 0 "[ . 1 . 2 ]" 1 1628 1 145 GLU HG2 1 173 LEU QD 3.600 . 4.680 4.340 3.837 4.766 0.086 22 0 "[ . 1 . 2 ]" 1 1629 1 170 ILE HA 1 173 LEU MD1 4.000 . 5.200 4.039 3.354 5.151 . 0 0 "[ . 1 . 2 ]" 1 1630 1 170 ILE HB 1 173 LEU MD1 3.600 . 4.680 2.979 2.382 3.986 . 0 0 "[ . 1 . 2 ]" 1 1631 1 120 HIS HA 1 173 LEU MD2 3.700 . 4.810 4.560 1.870 4.863 0.053 10 0 "[ . 1 . 2 ]" 1 1632 1 121 ILE HB 1 173 LEU MD2 3.500 . 4.550 4.378 3.513 4.561 0.011 14 0 "[ . 1 . 2 ]" 1 1633 1 170 ILE HA 1 173 LEU MD2 4.200 . 5.460 5.116 4.065 5.506 0.046 13 0 "[ . 1 . 2 ]" 1 1634 1 170 ILE HB 1 173 LEU MD2 3.500 . 4.550 3.444 3.036 4.135 . 0 0 "[ . 1 . 2 ]" 1 1635 1 171 ASP HA 1 173 LEU MD2 4.000 . 5.200 4.537 2.270 5.252 0.052 22 0 "[ . 1 . 2 ]" 1 1636 1 173 LEU MD2 1 179 TYR QE 3.800 . 4.550 3.891 1.780 4.463 0.020 13 0 "[ . 1 . 2 ]" 1 1637 1 114 ILE QG 1 181 VAL QG 2.700 . 3.510 1.925 1.598 2.275 0.202 22 0 "[ . 1 . 2 ]" 1 1638 1 143 ILE HA 1 181 VAL QG 3.100 . 4.030 3.422 3.126 3.645 . 0 0 "[ . 1 . 2 ]" 1 1639 1 145 GLU HA 1 181 VAL MG1 3.500 . 4.550 3.934 3.315 4.567 0.017 22 0 "[ . 1 . 2 ]" 1 1640 1 145 GLU HA 1 181 VAL MG2 3.500 . 4.550 2.508 1.792 3.767 0.008 13 0 "[ . 1 . 2 ]" 1 1641 1 179 TYR HA 1 181 VAL QG 3.600 . 4.680 4.663 4.067 4.913 0.233 22 0 "[ . 1 . 2 ]" 1 1642 1 179 TYR QB 1 181 VAL QG 3.800 . 4.940 2.728 2.567 3.419 . 0 0 "[ . 1 . 2 ]" 1 1643 1 179 TYR QD 1 181 VAL QG 3.900 . 5.070 1.929 1.748 3.128 0.052 21 0 "[ . 1 . 2 ]" 1 1644 1 181 VAL QG 1 182 SER HA 3.000 . 3.900 3.672 3.480 3.836 . 0 0 "[ . 1 . 2 ]" 1 1645 1 181 VAL QG 1 183 VAL MG1 3.500 . 4.550 4.551 4.183 4.620 0.070 14 0 "[ . 1 . 2 ]" 1 1646 1 181 VAL QG 1 183 VAL MG2 3.600 . 4.680 2.843 2.247 3.779 . 0 0 "[ . 1 . 2 ]" 1 1647 1 181 VAL QG 1 199 LYS QB 3.100 . 4.030 3.474 2.151 3.991 . 0 0 "[ . 1 . 2 ]" 1 1648 1 112 PHE HB3 1 183 VAL QG 3.600 . 4.680 2.503 2.369 2.639 . 0 0 "[ . 1 . 2 ]" 1 1649 1 112 PHE HB2 1 183 VAL QG 3.700 . 4.810 2.313 1.980 2.661 . 0 0 "[ . 1 . 2 ]" 1 1650 1 112 PHE QD 1 183 VAL QG 4.100 . 5.330 2.503 1.798 2.707 0.002 21 0 "[ . 1 . 2 ]" 1 1651 1 112 PHE QE 1 183 VAL QG 4.200 . 5.460 2.849 2.340 3.141 . 0 0 "[ . 1 . 2 ]" 1 1652 1 125 VAL HA 1 183 VAL QG 3.700 . 4.810 3.334 3.233 3.434 . 0 0 "[ . 1 . 2 ]" 1 1653 1 125 VAL HB 1 183 VAL QG 3.700 . 4.810 3.571 3.433 3.688 . 0 0 "[ . 1 . 2 ]" 1 1654 1 125 VAL MG1 1 183 VAL QG 3.700 . 4.810 1.674 1.602 1.719 0.198 17 0 "[ . 1 . 2 ]" 1 1655 1 125 VAL MG2 1 183 VAL QG 3.400 2.200 4.300 2.079 2.030 2.153 0.170 14 0 "[ . 1 . 2 ]" 1 1656 1 143 ILE HA 1 183 VAL QG 3.000 . 3.900 3.593 3.414 3.762 . 0 0 "[ . 1 . 2 ]" 1 1657 1 143 ILE MD 1 183 VAL QG 3.400 . 4.420 3.530 3.377 3.686 . 0 0 "[ . 1 . 2 ]" 1 1658 1 181 VAL HB 1 183 VAL QG 3.600 . 4.680 4.763 4.650 4.857 0.177 21 0 "[ . 1 . 2 ]" 1 1659 1 181 VAL QG 1 183 VAL QG 2.800 . 3.640 2.810 2.238 3.575 . 0 0 "[ . 1 . 2 ]" 1 1660 1 183 VAL QG 1 196 SER HB3 3.600 . 4.680 4.655 4.073 4.773 0.093 19 0 "[ . 1 . 2 ]" 1 1661 1 183 VAL QG 1 196 SER HB2 3.600 . 4.680 4.491 3.236 4.721 0.041 18 0 "[ . 1 . 2 ]" 1 1662 1 107 PHE HA 1 185 LEU QD 3.100 . 4.030 3.806 3.415 4.139 0.109 13 0 "[ . 1 . 2 ]" 1 1663 1 107 PHE HB3 1 185 LEU QD 3.200 . 4.160 3.046 2.108 3.973 . 0 0 "[ . 1 . 2 ]" 1 1664 1 107 PHE HB2 1 185 LEU QD 3.200 . 4.160 2.251 1.753 4.113 0.047 1 0 "[ . 1 . 2 ]" 1 1665 1 107 PHE QD 1 185 LEU QD 4.100 . 5.330 2.158 1.764 2.979 0.036 20 0 "[ . 1 . 2 ]" 1 1666 1 139 LEU QD 1 185 LEU QD 3.900 . 5.070 2.067 1.735 3.002 0.065 19 0 "[ . 1 . 2 ]" 1 1667 1 189 ASP HA 1 192 ALA MB 4.100 . 5.330 5.386 5.366 5.471 0.141 15 0 "[ . 1 . 2 ]" 1 1668 1 192 ALA MB 1 194 ILE QG 3.300 . 4.290 3.799 3.405 4.327 0.037 20 0 "[ . 1 . 2 ]" 1 1669 1 184 TYR QD 1 193 VAL QG 3.300 . 4.290 2.913 2.490 3.295 . 0 0 "[ . 1 . 2 ]" 1 1670 1 184 TYR QE 1 193 VAL QG 3.100 . 4.030 2.345 1.935 2.719 . 0 0 "[ . 1 . 2 ]" 1 1671 1 193 VAL MG1 1 195 LYS HB3 3.500 . 4.550 4.616 4.574 4.668 0.118 13 0 "[ . 1 . 2 ]" 1 1672 1 193 VAL MG1 1 195 LYS HB2 3.500 . 4.550 3.617 3.511 4.175 . 0 0 "[ . 1 . 2 ]" 1 1673 1 193 VAL MG2 1 195 LYS HB3 3.500 . 4.550 4.565 3.755 4.668 0.118 4 0 "[ . 1 . 2 ]" 1 1674 1 193 VAL MG2 1 195 LYS HB2 3.500 . 4.550 4.395 2.608 4.613 0.063 6 0 "[ . 1 . 2 ]" 1 1675 1 146 GLN HB3 1 198 LEU QD 3.100 . 4.030 3.236 2.825 3.865 . 0 0 "[ . 1 . 2 ]" 1 1676 1 146 GLN HB2 1 198 LEU QD 3.200 . 4.160 2.681 1.982 3.489 . 0 0 "[ . 1 . 2 ]" 1 1677 1 146 GLN QG 1 198 LEU QD 3.000 . 3.900 3.235 1.926 3.930 0.030 2 0 "[ . 1 . 2 ]" 1 1678 1 180 CYS HB3 1 198 LEU QD 2.700 . 3.510 1.960 1.753 2.469 0.047 7 0 "[ . 1 . 2 ]" 1 1679 1 180 CYS HB2 1 198 LEU QD 2.700 . 3.510 2.509 1.796 3.040 0.004 18 0 "[ . 1 . 2 ]" 1 1680 1 182 SER HA 1 198 LEU QD 2.900 . 3.770 2.718 1.816 3.794 0.024 9 0 "[ . 1 . 2 ]" 1 1681 1 182 SER HB3 1 198 LEU QD 2.700 . 3.510 2.566 1.817 3.634 0.124 9 0 "[ . 1 . 2 ]" 1 1682 1 182 SER HB2 1 198 LEU QD 2.500 . 3.250 2.498 1.739 3.385 0.135 6 0 "[ . 1 . 2 ]" 1 1683 1 198 LEU QD 1 200 CYS HA 3.700 . 4.810 4.988 4.846 5.232 0.422 10 0 "[ . 1 . 2 ]" 1 1684 1 114 ILE MG 1 201 THR MG 2.900 . 3.770 3.787 3.524 3.854 0.084 21 0 "[ . 1 . 2 ]" 1 1685 1 116 GLY HA3 1 201 THR MG 3.000 . 3.900 2.448 2.043 2.748 . 0 0 "[ . 1 . 2 ]" 1 1686 1 116 GLY HA2 1 201 THR MG 3.300 . 4.290 3.275 2.777 3.523 . 0 0 "[ . 1 . 2 ]" 1 1687 1 121 ILE HA 1 201 THR MG 3.300 . 4.290 4.349 4.144 4.451 0.161 18 0 "[ . 1 . 2 ]" 1 1688 1 179 TYR QB 1 201 THR MG 3.700 . 4.810 4.392 1.847 4.785 . 0 0 "[ . 1 . 2 ]" 1 1689 1 179 TYR QD 1 201 THR MG 4.200 . 5.460 3.314 3.121 3.636 . 0 0 "[ . 1 . 2 ]" 1 1690 1 176 ASN HA 1 202 LEU MD1 3.100 . 4.030 2.331 2.028 3.406 . 0 0 "[ . 1 . 2 ]" 1 1691 1 176 ASN HA 1 202 LEU MD2 3.100 . 4.030 3.193 1.804 3.592 . 0 0 "[ . 1 . 2 ]" 1 1692 1 176 ASN HB3 1 202 LEU QD 3.500 . 4.550 4.333 3.956 4.626 0.076 13 0 "[ . 1 . 2 ]" 1 1693 1 176 ASN HB2 1 202 LEU QD 3.500 . 4.550 3.763 2.953 4.285 . 0 0 "[ . 1 . 2 ]" 1 1694 1 177 THR HA 1 202 LEU QD 3.000 . 3.900 3.194 2.985 3.825 . 0 0 "[ . 1 . 2 ]" 1 1695 1 177 THR HB 1 202 LEU QD 2.600 . 3.380 3.609 3.535 3.742 0.362 13 0 "[ . 1 . 2 ]" 1 1696 1 178 ASN HA 1 202 LEU MD1 2.700 . 3.510 2.318 1.893 3.570 0.060 17 0 "[ . 1 . 2 ]" 1 1697 1 178 ASN HA 1 202 LEU MD2 2.700 . 3.510 3.676 3.623 3.708 0.198 15 0 "[ . 1 . 2 ]" 1 1698 1 178 ASN HB3 1 202 LEU QD 2.900 . 3.770 1.849 1.781 2.151 0.019 21 0 "[ . 1 . 2 ]" 1 1699 1 178 ASN HB2 1 202 LEU QD 3.000 . 3.900 3.029 2.925 3.300 . 0 0 "[ . 1 . 2 ]" 1 1700 1 116 GLY HA3 1 203 LEU QD 3.100 . 4.030 2.505 1.758 3.738 0.042 3 0 "[ . 1 . 2 ]" 1 1701 1 116 GLY HA2 1 203 LEU QD 3.100 . 4.030 3.104 2.409 4.048 0.018 9 0 "[ . 1 . 2 ]" 1 1702 1 107 PHE QD 1 139 LEU MD1 3.500 . 4.550 3.915 2.285 4.604 0.054 3 0 "[ . 1 . 2 ]" 1 1703 1 107 PHE QD 1 139 LEU MD2 3.500 . 4.550 3.787 2.151 4.646 0.096 2 0 "[ . 1 . 2 ]" 1 1704 1 107 PHE QE 1 139 LEU MD1 3.500 . 4.550 3.175 1.920 4.561 0.011 22 0 "[ . 1 . 2 ]" 1 1705 1 105 MET ME 1 107 PHE QR 4.000 . 5.200 4.176 3.252 5.212 0.012 18 0 "[ . 1 . 2 ]" 1 1706 1 107 PHE QE 1 139 LEU MD2 3.500 . 4.550 2.752 1.818 3.786 . 0 0 "[ . 1 . 2 ]" 1 1707 1 107 PHE HZ 1 139 LEU QD 4.100 . 5.330 3.321 2.122 4.293 . 0 0 "[ . 1 . 2 ]" 1 1708 1 112 PHE QD 1 114 ILE QG 2.700 . 3.510 3.639 3.536 3.852 0.342 21 0 "[ . 1 . 2 ]" 1 1709 1 112 PHE QD 1 114 ILE MG 2.900 . 3.770 2.997 2.716 3.823 0.053 21 0 "[ . 1 . 2 ]" 1 1710 1 112 PHE QD 1 183 VAL MG1 3.600 . 4.680 3.648 1.861 4.226 . 0 0 "[ . 1 . 2 ]" 1 1711 1 112 PHE QD 1 183 VAL MG2 3.600 . 4.680 2.575 2.382 2.740 . 0 0 "[ . 1 . 2 ]" 1 1712 1 112 PHE QE 1 114 ILE MD 3.700 . 4.810 3.945 3.496 4.130 . 0 0 "[ . 1 . 2 ]" 1 1713 1 112 PHE QE 1 114 ILE QG 2.900 . 3.770 3.020 2.507 3.269 . 0 0 "[ . 1 . 2 ]" 1 1714 1 112 PHE QE 1 114 ILE MG 3.500 . 4.550 3.208 2.686 3.489 . 0 0 "[ . 1 . 2 ]" 1 1715 1 112 PHE HZ 1 114 ILE MD 4.400 . 5.720 5.500 4.071 5.740 0.020 13 0 "[ . 1 . 2 ]" 1 1716 1 112 PHE HZ 1 114 ILE QG 4.200 . 5.460 5.086 3.763 5.374 . 0 0 "[ . 1 . 2 ]" 1 1717 1 112 PHE HZ 1 114 ILE MG 4.200 . 5.460 5.271 2.617 5.526 0.066 22 0 "[ . 1 . 2 ]" 1 1718 1 112 PHE HZ 1 183 VAL QG 4.400 . 5.720 3.333 3.022 3.752 . 0 0 "[ . 1 . 2 ]" 1 1719 1 112 PHE QD 1 125 VAL HA 3.200 . 4.160 4.082 2.375 4.230 0.070 13 0 "[ . 1 . 2 ]" 1 1720 1 112 PHE QE 1 181 VAL QG 3.400 . 4.420 2.921 1.784 3.356 0.016 22 0 "[ . 1 . 2 ]" 1 1721 1 112 PHE QE 1 182 SER HA 3.000 . 3.900 3.861 3.670 4.009 0.109 19 0 "[ . 1 . 2 ]" 1 1722 1 112 PHE HZ 1 181 VAL QG 3.800 . 4.940 4.291 1.851 4.868 . 0 0 "[ . 1 . 2 ]" 1 1723 1 112 PHE HZ 1 182 SER HA 2.700 . 3.510 3.387 3.035 3.693 0.183 21 0 "[ . 1 . 2 ]" 1 1724 1 115 VAL HB 1 117 PHE QD 3.100 . 4.030 4.073 4.020 4.162 0.132 18 0 "[ . 1 . 2 ]" 1 1725 1 127 PHE QE 1 139 LEU QD 3.300 . 4.290 3.911 3.376 4.308 0.018 1 0 "[ . 1 . 2 ]" 1 1726 1 127 PHE QE 1 162 MET ME 3.800 . 4.940 3.077 2.666 3.926 . 0 0 "[ . 1 . 2 ]" 1 1727 1 127 PHE HZ 1 139 LEU QD 3.500 . 4.550 4.612 4.493 4.754 0.204 14 0 "[ . 1 . 2 ]" 1 1728 1 125 VAL QG 1 127 PHE HZ 3.500 . 4.550 3.507 2.980 4.353 . 0 0 "[ . 1 . 2 ]" 1 1729 1 127 PHE QE 1 158 ILE MG 3.300 . 4.290 3.981 3.400 4.351 0.061 18 0 "[ . 1 . 2 ]" 1 1730 1 127 PHE HZ 1 158 ILE MG 3.300 . 4.290 4.347 3.571 4.507 0.217 18 0 "[ . 1 . 2 ]" 1 1731 1 127 PHE QE 1 158 ILE MD 3.600 . 4.680 3.953 3.489 4.770 0.090 16 0 "[ . 1 . 2 ]" 1 1732 1 127 PHE HZ 1 158 ILE MD 3.600 . 4.680 4.518 4.008 4.738 0.058 2 0 "[ . 1 . 2 ]" 1 1733 1 127 PHE HZ 1 162 MET ME 3.800 . 4.940 2.613 1.960 3.576 . 0 0 "[ . 1 . 2 ]" 1 1734 1 127 PHE QE 1 166 PHE QB 3.000 . 3.900 3.514 1.982 3.979 0.079 7 0 "[ . 1 . 2 ]" 1 1735 1 105 MET ME 1 137 PHE QR 3.300 . 4.290 3.284 1.773 4.306 0.027 2 0 "[ . 1 . 2 ]" 1 1736 1 135 LEU QD 1 137 PHE QD 3.200 . 4.160 2.638 2.148 3.292 . 0 0 "[ . 1 . 2 ]" 1 1737 1 135 LEU QD 1 137 PHE QE 3.100 . 4.030 3.663 1.823 4.494 0.464 17 0 "[ . 1 . 2 ]" 1 1738 1 137 PHE QE 1 139 LEU QD 3.400 . 4.420 2.850 2.291 3.839 . 0 0 "[ . 1 . 2 ]" 1 1739 1 137 PHE QE 1 139 LEU QB 3.600 . 4.680 3.114 1.803 4.228 . 0 0 "[ . 1 . 2 ]" 1 1740 1 137 PHE HZ 1 139 LEU QB 3.400 . 4.420 4.336 3.762 4.608 0.188 6 0 "[ . 1 . 2 ]" 1 1741 1 145 GLU HA 1 154 HIS HD2 3.500 . 4.550 4.466 4.215 4.611 0.061 22 0 "[ . 1 . 2 ]" 1 1742 1 154 HIS HD2 1 170 ILE MD 4.000 . 5.200 3.224 2.283 4.379 . 0 0 "[ . 1 . 2 ]" 1 1743 1 145 GLU QB 1 154 HIS HD2 2.900 . 3.770 2.346 2.036 3.296 . 0 0 "[ . 1 . 2 ]" 1 1744 1 145 GLU HG3 1 154 HIS HD2 3.700 . 4.810 3.860 3.051 4.816 0.006 13 0 "[ . 1 . 2 ]" 1 1745 1 145 GLU HG2 1 154 HIS HD2 3.600 . 4.680 4.413 1.934 4.779 0.099 3 0 "[ . 1 . 2 ]" 1 1746 1 154 HIS HE1 1 168 TYR QE 4.000 . 5.200 4.670 4.268 5.085 . 0 0 "[ . 1 . 2 ]" 1 1747 1 154 HIS HE1 1 170 ILE MD 4.800 . 6.240 5.729 4.943 6.277 0.037 13 0 "[ . 1 . 2 ]" 1 1748 1 154 HIS HE1 1 170 ILE MG 4.200 . 5.460 3.504 2.842 4.487 . 0 0 "[ . 1 . 2 ]" 1 1749 1 154 HIS HE1 1 173 LEU QD 4.800 . 6.240 5.633 4.650 6.241 0.001 7 0 "[ . 1 . 2 ]" 1 1750 1 162 MET HA 1 166 PHE QD 2.900 . 3.770 2.724 2.498 2.999 . 0 0 "[ . 1 . 2 ]" 1 1751 1 162 MET ME 1 166 PHE QD 3.500 . 4.550 4.486 4.290 4.685 0.135 16 0 "[ . 1 . 2 ]" 1 1752 1 162 MET HG3 1 166 PHE QD 3.100 . 4.030 3.392 3.039 3.726 . 0 0 "[ . 1 . 2 ]" 1 1753 1 162 MET HG2 1 166 PHE QD 3.300 . 4.290 3.648 3.109 4.257 . 0 0 "[ . 1 . 2 ]" 1 1754 1 162 MET HA 1 166 PHE QE 2.900 . 3.770 3.615 3.110 3.839 0.069 5 0 "[ . 1 . 2 ]" 1 1755 1 162 MET ME 1 166 PHE QE 3.600 . 4.680 3.379 3.166 3.578 . 0 0 "[ . 1 . 2 ]" 1 1756 1 162 MET HG3 1 166 PHE QE 3.000 . 3.900 2.635 2.333 2.937 . 0 0 "[ . 1 . 2 ]" 1 1757 1 162 MET HG2 1 166 PHE QE 3.400 . 4.420 3.928 3.349 4.452 0.032 1 0 "[ . 1 . 2 ]" 1 1758 1 158 ILE HA 1 166 PHE HZ 3.000 . 3.900 3.009 2.395 3.484 . 0 0 "[ . 1 . 2 ]" 1 1759 1 161 ASN HB3 1 166 PHE HZ 3.100 . 4.030 2.723 2.067 3.102 . 0 0 "[ . 1 . 2 ]" 1 1760 1 161 ASN HB2 1 166 PHE HZ 3.100 . 4.030 3.192 2.443 3.827 . 0 0 "[ . 1 . 2 ]" 1 1761 1 162 MET ME 1 166 PHE HZ 3.700 . 4.810 4.899 4.853 4.972 0.162 14 0 "[ . 1 . 2 ]" 1 1762 1 158 ILE MD 1 166 PHE HZ 3.500 . 4.550 1.772 1.732 1.828 0.068 5 0 "[ . 1 . 2 ]" 1 1763 1 168 TYR QD 1 170 ILE HA 3.300 . 4.290 4.115 3.712 4.463 0.173 5 0 "[ . 1 . 2 ]" 1 1764 1 168 TYR QE 1 170 ILE HA 2.700 . 3.510 2.457 2.089 3.223 . 0 0 "[ . 1 . 2 ]" 1 1765 1 143 ILE HG13 1 168 TYR QD 2.400 . 3.120 2.762 2.495 3.023 . 0 0 "[ . 1 . 2 ]" 1 1766 1 143 ILE HG12 1 168 TYR QD 2.800 . 3.640 3.720 3.673 3.766 0.126 4 0 "[ . 1 . 2 ]" 1 1767 1 156 PRO HA 1 168 TYR QD 3.300 . 4.290 4.303 4.071 4.410 0.120 8 0 "[ . 1 . 2 ]" 1 1768 1 156 PRO HB3 1 168 TYR QD 3.400 . 4.420 2.603 1.888 3.150 . 0 0 "[ . 1 . 2 ]" 1 1769 1 156 PRO HB2 1 168 TYR QD 2.900 . 3.770 3.478 2.891 3.822 0.052 8 0 "[ . 1 . 2 ]" 1 1770 1 168 TYR QD 1 170 ILE MD 2.900 . 3.770 3.496 2.509 3.799 0.029 1 0 "[ . 1 . 2 ]" 1 1771 1 168 TYR QD 1 170 ILE HG13 2.900 . 3.770 3.065 2.187 3.821 0.051 22 0 "[ . 1 . 2 ]" 1 1772 1 143 ILE HG13 1 168 TYR QE 3.000 . 3.900 3.592 3.265 3.902 0.002 21 0 "[ . 1 . 2 ]" 1 1773 1 143 ILE HG12 1 168 TYR QE 2.800 . 3.640 3.621 3.431 3.705 0.065 15 0 "[ . 1 . 2 ]" 1 1774 1 156 PRO HA 1 168 TYR QE 3.300 . 4.290 3.828 2.939 4.305 0.015 22 0 "[ . 1 . 2 ]" 1 1775 1 156 PRO HB3 1 168 TYR QE 3.200 . 4.160 3.374 1.949 4.108 . 0 0 "[ . 1 . 2 ]" 1 1776 1 168 TYR QE 1 170 ILE MD 3.400 . 4.420 3.310 1.918 3.507 . 0 0 "[ . 1 . 2 ]" 1 1777 1 168 TYR QE 1 170 ILE HG13 2.800 . 3.640 3.028 1.791 3.696 0.056 5 0 "[ . 1 . 2 ]" 1 1778 1 147 SER HA 1 179 TYR QD 3.000 . 3.900 3.385 3.288 3.486 . 0 0 "[ . 1 . 2 ]" 1 1779 1 147 SER QB 1 179 TYR QD 3.000 . 3.900 2.167 2.093 2.333 . 0 0 "[ . 1 . 2 ]" 1 1780 1 173 LEU MD1 1 179 TYR QD 3.700 . 4.810 4.700 3.953 4.870 0.060 13 0 "[ . 1 . 2 ]" 1 1781 1 173 LEU MD2 1 179 TYR QD 3.700 . 4.810 3.613 3.068 4.886 0.076 17 0 "[ . 1 . 2 ]" 1 1782 1 177 THR HB 1 179 TYR QD 2.700 . 3.510 2.827 2.611 3.374 . 0 0 "[ . 1 . 2 ]" 1 1783 1 179 TYR QD 1 181 VAL HB 3.200 . 4.160 3.409 3.002 3.666 . 0 0 "[ . 1 . 2 ]" 1 1784 1 147 SER QB 1 179 TYR QE 3.100 . 4.030 3.966 1.822 4.243 0.213 18 0 "[ . 1 . 2 ]" 1 1785 1 173 LEU MD1 1 179 TYR QE 3.500 . 4.550 4.208 2.960 4.616 0.066 18 0 "[ . 1 . 2 ]" 1 1786 1 177 THR HB 1 179 TYR QE 2.400 . 3.120 3.226 3.173 3.285 0.165 3 0 "[ . 1 . 2 ]" 1 1787 1 179 TYR QE 1 181 VAL HB 3.100 . 4.030 4.199 4.083 4.313 0.283 13 0 "[ . 1 . 2 ]" 1 1788 1 114 ILE QG 1 179 TYR QD 3.300 . 4.290 4.417 4.333 4.520 0.230 22 0 "[ . 1 . 2 ]" 1 1789 1 121 ILE MD 1 179 TYR QE 3.900 . 5.070 2.550 2.347 2.636 . 0 0 "[ . 1 . 2 ]" 1 1790 1 144 GLU HB3 1 184 TYR QD 3.500 . 4.550 4.644 4.568 4.708 0.158 9 0 "[ . 1 . 2 ]" 1 1791 1 144 GLU HB2 1 184 TYR QD 3.500 . 4.550 3.330 3.171 3.609 . 0 0 "[ . 1 . 2 ]" 1 1792 1 144 GLU HG2 1 184 TYR QD 3.500 . 4.550 4.436 3.661 4.678 0.128 15 0 "[ . 1 . 2 ]" 1 1793 1 184 TYR QD 1 186 GLU QG 3.700 . 4.810 4.193 2.620 4.918 0.108 20 0 "[ . 1 . 2 ]" 1 1794 1 184 TYR QD 1 193 VAL HB 3.500 . 4.550 4.075 3.872 4.285 . 0 0 "[ . 1 . 2 ]" 1 1795 1 184 TYR QD 1 195 LYS HB3 3.400 . 4.420 4.248 3.716 4.489 0.069 15 0 "[ . 1 . 2 ]" 1 1796 1 184 TYR QD 1 195 LYS HB2 3.400 . 4.420 2.638 2.095 3.116 . 0 0 "[ . 1 . 2 ]" 1 1797 1 184 TYR QD 1 195 LYS HE3 3.500 . 4.550 4.288 3.098 4.570 0.020 7 0 "[ . 1 . 2 ]" 1 1798 1 184 TYR QD 1 195 LYS HE2 3.700 . 4.810 4.538 4.141 4.825 0.015 2 0 "[ . 1 . 2 ]" 1 1799 1 184 TYR QD 1 195 LYS HG3 3.200 . 4.160 3.169 2.956 3.881 . 0 0 "[ . 1 . 2 ]" 1 1800 1 184 TYR QD 1 195 LYS HG2 3.300 . 4.290 4.334 4.258 4.399 0.109 9 0 "[ . 1 . 2 ]" 1 1801 1 144 GLU HB3 1 184 TYR QE 3.200 . 4.160 4.045 3.250 4.300 0.140 21 0 "[ . 1 . 2 ]" 1 1802 1 144 GLU HB2 1 184 TYR QE 3.200 . 4.160 3.138 1.960 3.717 . 0 0 "[ . 1 . 2 ]" 1 1803 1 144 GLU HG3 1 184 TYR QE 3.100 . 4.030 2.360 1.737 3.940 0.063 21 0 "[ . 1 . 2 ]" 1 1804 1 144 GLU HG2 1 184 TYR QE 3.000 . 3.900 2.689 1.931 3.067 . 0 0 "[ . 1 . 2 ]" 1 1805 1 184 TYR QE 1 186 GLU QG 3.800 . 4.940 3.683 2.116 4.554 . 0 0 "[ . 1 . 2 ]" 1 1806 1 184 TYR QE 1 193 VAL HB 3.500 . 4.550 4.283 3.688 4.565 0.015 20 0 "[ . 1 . 2 ]" 1 1807 1 184 TYR QE 1 195 LYS HE3 3.500 . 4.550 4.311 2.936 4.563 0.013 3 0 "[ . 1 . 2 ]" 1 1808 1 184 TYR QE 1 195 LYS HE2 3.500 . 4.550 4.394 3.257 4.608 0.058 4 0 "[ . 1 . 2 ]" 1 1809 1 184 TYR QE 1 195 LYS QG 4.000 . 5.200 4.270 3.632 4.930 . 0 0 "[ . 1 . 2 ]" 1 1810 1 20 ASN HA 1 127 PHE HA 3.100 . 4.030 4.192 4.129 4.240 0.210 11 0 "[ . 1 . 2 ]" 1 1811 1 20 ASN HA 1 128 PRO HD3 3.500 . 4.550 2.362 2.004 4.285 . 0 0 "[ . 1 . 2 ]" 1 1812 1 20 ASN HA 1 127 PHE QD 3.500 . 4.550 3.968 3.686 4.524 . 0 0 "[ . 1 . 2 ]" 1 1813 1 20 ASN QB 1 128 PRO HG3 3.000 . 3.900 1.979 1.875 2.315 . 0 0 "[ . 1 . 2 ]" 1 1814 1 20 ASN QB 1 128 PRO HG2 3.000 . 3.900 3.252 1.841 3.634 . 0 0 "[ . 1 . 2 ]" 1 1815 1 20 ASN QB 1 128 PRO QB 2.900 . 3.770 2.376 1.935 3.289 . 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 134 _Distance_constraint_stats_list.Viol_count 1094 _Distance_constraint_stats_list.Viol_total 1448.667 _Distance_constraint_stats_list.Viol_max 0.317 _Distance_constraint_stats_list.Viol_rms 0.0444 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0223 _Distance_constraint_stats_list.Viol_average_violations_only 0.0602 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details . loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 13 THR 1.857 0.129 13 0 "[ . 1 . 2 ]" 1 15 LYS 5.303 0.317 19 0 "[ . 1 . 2 ]" 1 17 SER 3.115 0.150 6 0 "[ . 1 . 2 ]" 1 19 ARG 0.007 0.007 20 0 "[ . 1 . 2 ]" 1 22 ARG 0.007 0.007 20 0 "[ . 1 . 2 ]" 1 23 SER 5.809 0.245 3 0 "[ . 1 . 2 ]" 1 24 ILE 3.115 0.150 6 0 "[ . 1 . 2 ]" 1 25 LEU 0.690 0.087 19 0 "[ . 1 . 2 ]" 1 26 SER 5.303 0.317 19 0 "[ . 1 . 2 ]" 1 28 GLU 1.857 0.129 13 0 "[ . 1 . 2 ]" 1 40 THR 0.410 0.047 17 0 "[ . 1 . 2 ]" 1 41 LEU 2.163 0.172 19 0 "[ . 1 . 2 ]" 1 42 LEU 2.030 0.126 2 0 "[ . 1 . 2 ]" 1 43 TYR 0.845 0.087 6 0 "[ . 1 . 2 ]" 1 44 THR 3.874 0.193 21 0 "[ . 1 . 2 ]" 1 53 LYS 0.845 0.087 6 0 "[ . 1 . 2 ]" 1 55 VAL 2.163 0.172 19 0 "[ . 1 . 2 ]" 1 66 CYS 0.690 0.087 19 0 "[ . 1 . 2 ]" 1 68 LEU 5.809 0.245 3 0 "[ . 1 . 2 ]" 1 79 TYR 1.206 0.084 1 0 "[ . 1 . 2 ]" 1 80 VAL 3.874 0.193 21 0 "[ . 1 . 2 ]" 1 81 THR 0.037 0.012 20 0 "[ . 1 . 2 ]" 1 82 VAL 2.030 0.126 2 0 "[ . 1 . 2 ]" 1 83 LEU 0.774 0.208 7 0 "[ . 1 . 2 ]" 1 84 GLU 0.410 0.047 17 0 "[ . 1 . 2 ]" 1 87 SER 1.360 0.080 9 0 "[ . 1 . 2 ]" 1 90 THR 1.360 0.080 9 0 "[ . 1 . 2 ]" 1 95 CYS 0.774 0.208 7 0 "[ . 1 . 2 ]" 1 97 HIS 0.037 0.012 20 0 "[ . 1 . 2 ]" 1 99 PHE 1.206 0.084 1 0 "[ . 1 . 2 ]" 1 100 TRP 1.844 0.126 22 0 "[ . 1 . 2 ]" 1 101 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 104 ASP 1.844 0.126 22 0 "[ . 1 . 2 ]" 1 105 MET 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 111 GLU 3.167 0.178 21 0 "[ . 1 . 2 ]" 1 113 GLU 0.280 0.080 19 0 "[ . 1 . 2 ]" 1 115 VAL 3.056 0.152 22 0 "[ . 1 . 2 ]" 1 117 PHE 2.924 0.220 3 0 "[ . 1 . 2 ]" 1 120 HIS 2.924 0.220 3 0 "[ . 1 . 2 ]" 1 121 ILE 0.589 0.086 15 0 "[ . 1 . 2 ]" 1 122 ASN 3.056 0.152 22 0 "[ . 1 . 2 ]" 1 123 VAL 2.386 0.125 2 0 "[ . 1 . 2 ]" 1 124 MET 0.280 0.080 19 0 "[ . 1 . 2 ]" 1 125 VAL 1.737 0.102 16 0 "[ . 1 . 2 ]" 1 126 LYS 3.167 0.178 21 0 "[ . 1 . 2 ]" 1 127 PHE 4.477 0.258 19 0 "[ . 1 . 2 ]" 1 131 VAL 0.748 0.079 17 0 "[ . 1 . 2 ]" 1 132 GLU 0.385 0.067 10 0 "[ . 1 . 2 ]" 1 134 GLU 0.748 0.079 17 0 "[ . 1 . 2 ]" 1 135 LEU 0.385 0.067 10 0 "[ . 1 . 2 ]" 1 140 SER 1.266 0.081 19 0 "[ . 1 . 2 ]" 1 142 VAL 1.827 0.133 12 0 "[ . 1 . 2 ]" 1 143 ILE 1.829 0.165 16 0 "[ . 1 . 2 ]" 1 144 GLU 1.537 0.110 3 0 "[ . 1 . 2 ]" 1 145 GLU 0.458 0.095 18 0 "[ . 1 . 2 ]" 1 146 GLN 1.263 0.135 16 0 "[ . 1 . 2 ]" 1 147 SER 3.354 0.225 11 0 "[ . 1 . 2 ]" 1 150 ILE 3.354 0.225 11 0 "[ . 1 . 2 ]" 1 152 LYS 0.458 0.095 18 0 "[ . 1 . 2 ]" 1 154 HIS 1.829 0.165 16 0 "[ . 1 . 2 ]" 1 164 GLY 4.477 0.258 19 0 "[ . 1 . 2 ]" 1 166 PHE 1.737 0.102 16 0 "[ . 1 . 2 ]" 1 168 TYR 2.386 0.125 2 0 "[ . 1 . 2 ]" 1 170 ILE 0.589 0.086 15 0 "[ . 1 . 2 ]" 1 179 TYR 1.207 0.070 2 0 "[ . 1 . 2 ]" 1 180 CYS 1.263 0.135 16 0 "[ . 1 . 2 ]" 1 181 VAL 2.033 0.150 22 0 "[ . 1 . 2 ]" 1 182 SER 1.537 0.110 3 0 "[ . 1 . 2 ]" 1 184 TYR 1.827 0.133 12 0 "[ . 1 . 2 ]" 1 186 GLU 1.266 0.081 19 0 "[ . 1 . 2 ]" 1 199 LYS 2.033 0.150 22 0 "[ . 1 . 2 ]" 1 201 THR 1.207 0.070 2 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 13 THR H 1 28 GLU O 2.050 . 2.300 2.319 2.179 2.374 0.074 4 0 "[ . 1 . 2 ]" 2 2 1 13 THR N 1 28 GLU O 2.900 2.500 3.300 3.273 3.145 3.324 0.024 9 0 "[ . 1 . 2 ]" 2 3 1 13 THR O 1 28 GLU H 2.050 . 2.300 1.846 1.671 2.042 0.129 13 0 "[ . 1 . 2 ]" 2 4 1 13 THR O 1 28 GLU N 2.900 2.500 3.300 2.472 2.438 2.592 0.062 10 0 "[ . 1 . 2 ]" 2 5 1 15 LYS H 1 26 SER O 2.050 . 2.300 2.106 1.989 2.163 . 0 0 "[ . 1 . 2 ]" 2 6 1 15 LYS N 1 26 SER O 2.900 2.500 3.300 2.724 2.653 2.770 . 0 0 "[ . 1 . 2 ]" 2 7 1 15 LYS O 1 26 SER H 2.050 . 2.300 1.579 1.483 1.641 0.317 19 0 "[ . 1 . 2 ]" 2 8 1 15 LYS O 1 26 SER N 2.900 2.500 3.300 2.480 2.447 2.505 0.053 19 0 "[ . 1 . 2 ]" 2 9 1 17 SER H 1 24 ILE O 2.050 . 2.300 1.755 1.650 1.890 0.150 6 0 "[ . 1 . 2 ]" 2 10 1 17 SER N 1 24 ILE O 2.900 2.500 3.300 2.717 2.597 2.819 . 0 0 "[ . 1 . 2 ]" 2 11 1 17 SER O 1 24 ILE H 2.050 . 2.300 2.364 2.240 2.429 0.129 1 0 "[ . 1 . 2 ]" 2 12 1 17 SER O 1 24 ILE N 2.900 2.500 3.300 3.159 2.907 3.380 0.080 5 0 "[ . 1 . 2 ]" 2 13 1 19 ARG H 1 22 ARG O 2.050 . 2.300 2.102 1.899 2.296 . 0 0 "[ . 1 . 2 ]" 2 14 1 19 ARG N 1 22 ARG O 2.900 2.500 3.300 2.855 2.752 2.962 . 0 0 "[ . 1 . 2 ]" 2 15 1 19 ARG O 1 22 ARG H 2.050 . 2.300 2.038 1.871 2.307 0.007 20 0 "[ . 1 . 2 ]" 2 16 1 19 ARG O 1 22 ARG N 2.900 2.500 3.300 2.702 2.572 2.966 . 0 0 "[ . 1 . 2 ]" 2 17 1 23 SER H 1 68 LEU O 2.050 . 2.300 2.493 2.430 2.545 0.245 3 0 "[ . 1 . 2 ]" 2 18 1 23 SER N 1 68 LEU O 2.900 2.500 3.300 3.022 2.951 3.071 . 0 0 "[ . 1 . 2 ]" 2 19 1 23 SER O 1 68 LEU H 2.050 . 2.300 1.740 1.724 1.754 0.076 9 0 "[ . 1 . 2 ]" 2 20 1 23 SER O 1 68 LEU N 2.900 2.500 3.300 2.489 2.455 2.508 0.045 21 0 "[ . 1 . 2 ]" 2 21 1 25 LEU H 1 66 CYS O 2.050 . 2.300 2.325 2.168 2.387 0.087 19 0 "[ . 1 . 2 ]" 2 22 1 25 LEU N 1 66 CYS O 2.900 2.500 3.300 2.799 2.720 2.866 . 0 0 "[ . 1 . 2 ]" 2 23 1 25 LEU O 1 66 CYS H 2.050 . 2.300 2.029 1.789 2.175 0.011 4 0 "[ . 1 . 2 ]" 2 24 1 25 LEU O 1 66 CYS N 2.900 2.500 3.300 2.758 2.648 2.933 . 0 0 "[ . 1 . 2 ]" 2 25 1 43 TYR H 1 53 LYS O 2.050 . 2.300 2.130 1.862 2.354 0.054 11 0 "[ . 1 . 2 ]" 2 26 1 43 TYR N 1 53 LYS O 2.900 2.500 3.300 3.043 2.764 3.303 0.003 11 0 "[ . 1 . 2 ]" 2 27 1 43 TYR O 1 53 LYS H 2.050 . 2.300 1.778 1.713 2.010 0.087 6 0 "[ . 1 . 2 ]" 2 28 1 43 TYR O 1 53 LYS N 2.900 2.500 3.300 2.654 2.506 2.918 . 0 0 "[ . 1 . 2 ]" 2 29 1 41 LEU O 1 55 VAL H 2.050 . 2.300 2.398 2.368 2.472 0.172 19 0 "[ . 1 . 2 ]" 2 30 1 41 LEU O 1 55 VAL N 2.900 2.500 3.300 3.205 3.040 3.308 0.008 20 0 "[ . 1 . 2 ]" 2 31 1 40 THR H 1 84 GLU O 2.050 . 2.300 2.297 2.047 2.347 0.047 17 0 "[ . 1 . 2 ]" 2 32 1 40 THR N 1 84 GLU O 2.900 2.500 3.300 2.926 2.719 2.998 . 0 0 "[ . 1 . 2 ]" 2 33 1 40 THR O 1 84 GLU H 2.050 . 2.300 2.126 1.947 2.318 0.018 2 0 "[ . 1 . 2 ]" 2 34 1 40 THR O 1 84 GLU N 2.900 2.500 3.300 2.992 2.753 3.108 . 0 0 "[ . 1 . 2 ]" 2 35 1 42 LEU H 1 82 VAL O 2.050 . 2.300 2.296 2.124 2.361 0.061 11 0 "[ . 1 . 2 ]" 2 36 1 42 LEU N 1 82 VAL O 2.900 2.500 3.300 3.028 2.859 3.080 . 0 0 "[ . 1 . 2 ]" 2 37 1 42 LEU O 1 82 VAL H 2.050 . 2.300 1.727 1.674 1.781 0.126 2 0 "[ . 1 . 2 ]" 2 38 1 42 LEU O 1 82 VAL N 2.900 2.500 3.300 2.608 2.556 2.703 . 0 0 "[ . 1 . 2 ]" 2 39 1 44 THR H 1 80 VAL O 2.050 . 2.300 1.647 1.607 1.712 0.193 21 0 "[ . 1 . 2 ]" 2 40 1 44 THR N 1 80 VAL O 2.900 2.500 3.300 2.543 2.495 2.596 0.005 3 0 "[ . 1 . 2 ]" 2 41 1 44 THR O 1 80 VAL H 2.050 . 2.300 2.313 2.189 2.363 0.063 22 0 "[ . 1 . 2 ]" 2 42 1 44 THR O 1 80 VAL N 2.900 2.500 3.300 2.620 2.556 2.673 . 0 0 "[ . 1 . 2 ]" 2 43 1 87 SER H 1 90 THR O 2.050 . 2.300 1.927 1.837 1.990 . 0 0 "[ . 1 . 2 ]" 2 44 1 87 SER N 1 90 THR O 2.900 2.500 3.300 2.449 2.420 2.495 0.080 9 0 "[ . 1 . 2 ]" 2 45 1 87 SER O 1 90 THR H 2.050 . 2.300 2.271 1.976 2.359 0.059 21 0 "[ . 1 . 2 ]" 2 46 1 87 SER O 1 90 THR N 2.900 2.500 3.300 3.225 2.924 3.310 0.010 21 0 "[ . 1 . 2 ]" 2 47 1 83 LEU H 1 95 CYS O 2.050 . 2.300 1.953 1.850 2.101 . 0 0 "[ . 1 . 2 ]" 2 48 1 83 LEU N 1 95 CYS O 2.900 2.500 3.300 2.659 2.500 2.809 . 0 0 "[ . 1 . 2 ]" 2 49 1 83 LEU O 1 95 CYS H 2.050 . 2.300 2.280 2.120 2.508 0.208 7 0 "[ . 1 . 2 ]" 2 50 1 83 LEU O 1 95 CYS N 2.900 2.500 3.300 3.118 2.894 3.282 . 0 0 "[ . 1 . 2 ]" 2 51 1 81 THR H 1 97 HIS O 2.050 . 2.300 1.918 1.789 2.310 0.011 22 0 "[ . 1 . 2 ]" 2 52 1 81 THR N 1 97 HIS O 2.900 2.500 3.300 2.859 2.704 3.249 . 0 0 "[ . 1 . 2 ]" 2 53 1 81 THR O 1 97 HIS H 2.050 . 2.300 1.915 1.788 2.162 0.012 20 0 "[ . 1 . 2 ]" 2 54 1 81 THR O 1 97 HIS N 2.900 2.500 3.300 2.721 2.655 2.811 . 0 0 "[ . 1 . 2 ]" 2 55 1 79 TYR H 1 99 PHE O 2.050 . 2.300 2.346 2.187 2.384 0.084 1 0 "[ . 1 . 2 ]" 2 56 1 79 TYR N 1 99 PHE O 2.900 2.500 3.300 2.710 2.604 2.785 . 0 0 "[ . 1 . 2 ]" 2 57 1 79 TYR O 1 99 PHE H 2.050 . 2.300 2.231 2.040 2.329 0.029 19 0 "[ . 1 . 2 ]" 2 58 1 79 TYR O 1 99 PHE N 2.900 2.500 3.300 3.087 2.895 3.173 . 0 0 "[ . 1 . 2 ]" 2 59 1 100 TRP O 1 104 ASP H 2.050 . 2.300 1.754 1.674 1.787 0.126 22 0 "[ . 1 . 2 ]" 2 60 1 100 TRP O 1 104 ASP N 2.900 2.500 3.300 2.462 2.438 2.503 0.062 22 0 "[ . 1 . 2 ]" 2 61 1 101 LEU O 1 105 MET H 2.050 . 2.300 1.967 1.890 2.092 . 0 0 "[ . 1 . 2 ]" 2 62 1 101 LEU O 1 105 MET N 2.900 2.500 3.300 2.659 2.564 2.814 . 0 0 "[ . 1 . 2 ]" 2 63 1 111 GLU H 1 126 LYS O 2.050 . 2.300 2.407 2.329 2.478 0.178 21 0 "[ . 1 . 2 ]" 2 64 1 111 GLU N 1 126 LYS O 2.900 2.500 3.300 3.270 2.929 3.384 0.084 8 0 "[ . 1 . 2 ]" 2 65 1 111 GLU O 1 126 LYS H 2.050 . 2.300 1.876 1.678 2.355 0.122 16 0 "[ . 1 . 2 ]" 2 66 1 111 GLU O 1 126 LYS N 2.900 2.500 3.300 2.611 2.491 3.137 0.009 11 0 "[ . 1 . 2 ]" 2 67 1 113 GLU H 1 124 MET O 2.050 . 2.300 2.017 1.766 2.330 0.034 5 0 "[ . 1 . 2 ]" 2 68 1 113 GLU N 1 124 MET O 2.900 2.500 3.300 2.960 2.692 3.307 0.007 19 0 "[ . 1 . 2 ]" 2 69 1 113 GLU O 1 124 MET H 2.050 . 2.300 1.966 1.760 2.380 0.080 19 0 "[ . 1 . 2 ]" 2 70 1 113 GLU O 1 124 MET N 2.900 2.500 3.300 2.882 2.626 3.259 . 0 0 "[ . 1 . 2 ]" 2 71 1 115 VAL H 1 122 ASN O 2.050 . 2.300 1.730 1.649 1.783 0.151 20 0 "[ . 1 . 2 ]" 2 72 1 115 VAL N 1 122 ASN O 2.900 2.500 3.300 2.611 2.530 2.700 . 0 0 "[ . 1 . 2 ]" 2 73 1 115 VAL O 1 122 ASN H 2.050 . 2.300 1.741 1.648 1.885 0.152 22 0 "[ . 1 . 2 ]" 2 74 1 115 VAL O 1 122 ASN N 2.900 2.500 3.300 2.527 2.481 2.592 0.019 18 0 "[ . 1 . 2 ]" 2 75 1 117 PHE H 1 120 HIS O 2.050 . 2.300 1.789 1.686 1.873 0.114 22 0 "[ . 1 . 2 ]" 2 76 1 117 PHE N 1 120 HIS O 2.900 2.500 3.300 2.612 2.478 2.724 0.022 13 0 "[ . 1 . 2 ]" 2 77 1 117 PHE O 1 120 HIS H 2.050 . 2.300 2.381 2.140 2.520 0.220 3 0 "[ . 1 . 2 ]" 2 78 1 117 PHE O 1 120 HIS N 2.900 2.500 3.300 3.072 2.923 3.251 . 0 0 "[ . 1 . 2 ]" 2 79 1 121 ILE H 1 170 ILE O 2.050 . 2.300 2.175 1.930 2.386 0.086 15 0 "[ . 1 . 2 ]" 2 80 1 121 ILE N 1 170 ILE O 2.900 2.500 3.300 2.745 2.522 3.034 . 0 0 "[ . 1 . 2 ]" 2 81 1 121 ILE O 1 170 ILE H 2.050 . 2.300 2.185 1.752 2.356 0.056 20 0 "[ . 1 . 2 ]" 2 82 1 121 ILE O 1 170 ILE N 2.900 2.500 3.300 2.869 2.561 3.106 . 0 0 "[ . 1 . 2 ]" 2 83 1 123 VAL H 1 168 TYR O 2.050 . 2.300 1.743 1.675 2.035 0.125 2 0 "[ . 1 . 2 ]" 2 84 1 123 VAL N 1 168 TYR O 2.900 2.500 3.300 2.574 2.520 2.725 . 0 0 "[ . 1 . 2 ]" 2 85 1 123 VAL O 1 168 TYR H 2.050 . 2.300 1.775 1.698 1.925 0.102 19 0 "[ . 1 . 2 ]" 2 86 1 123 VAL O 1 168 TYR N 2.900 2.500 3.300 2.691 2.565 2.817 . 0 0 "[ . 1 . 2 ]" 2 87 1 125 VAL H 1 166 PHE O 2.050 . 2.300 2.328 2.236 2.373 0.073 13 0 "[ . 1 . 2 ]" 2 88 1 125 VAL N 1 166 PHE O 2.900 2.500 3.300 3.022 2.884 3.093 . 0 0 "[ . 1 . 2 ]" 2 89 1 125 VAL O 1 166 PHE H 2.050 . 2.300 1.765 1.709 1.826 0.091 14 0 "[ . 1 . 2 ]" 2 90 1 125 VAL O 1 166 PHE N 2.900 2.500 3.300 2.504 2.398 2.545 0.102 16 0 "[ . 1 . 2 ]" 2 91 1 127 PHE H 1 164 GLY O 2.050 . 2.300 1.854 1.777 1.951 0.023 14 0 "[ . 1 . 2 ]" 2 92 1 127 PHE N 1 164 GLY O 2.900 2.500 3.300 2.554 2.484 2.881 0.016 1 0 "[ . 1 . 2 ]" 2 93 1 127 PHE O 1 164 GLY H 2.050 . 2.300 2.500 2.380 2.558 0.258 19 0 "[ . 1 . 2 ]" 2 94 1 127 PHE O 1 164 GLY N 2.900 2.500 3.300 2.702 2.574 2.777 . 0 0 "[ . 1 . 2 ]" 2 95 1 143 ILE H 1 154 HIS O 2.050 . 2.300 1.875 1.635 2.310 0.165 16 0 "[ . 1 . 2 ]" 2 96 1 143 ILE N 1 154 HIS O 2.900 2.500 3.300 2.555 2.413 2.964 0.087 15 0 "[ . 1 . 2 ]" 2 97 1 143 ILE O 1 154 HIS H 2.050 . 2.300 1.786 1.703 1.950 0.097 17 0 "[ . 1 . 2 ]" 2 98 1 143 ILE O 1 154 HIS N 2.900 2.500 3.300 2.550 2.487 2.625 0.013 17 0 "[ . 1 . 2 ]" 2 99 1 145 GLU H 1 152 LYS O 2.050 . 2.300 2.029 1.705 2.321 0.095 18 0 "[ . 1 . 2 ]" 2 100 1 145 GLU N 1 152 LYS O 2.900 2.500 3.300 2.727 2.513 2.998 . 0 0 "[ . 1 . 2 ]" 2 101 1 145 GLU O 1 152 LYS H 2.050 . 2.300 2.027 1.767 2.305 0.033 17 0 "[ . 1 . 2 ]" 2 102 1 145 GLU O 1 152 LYS N 2.900 2.500 3.300 2.667 2.544 2.845 . 0 0 "[ . 1 . 2 ]" 2 103 1 147 SER H 1 150 ILE O 2.050 . 2.300 2.255 2.115 2.390 0.090 16 0 "[ . 1 . 2 ]" 2 104 1 147 SER N 1 150 ILE O 2.900 2.500 3.300 2.722 2.595 2.829 . 0 0 "[ . 1 . 2 ]" 2 105 1 147 SER O 1 150 ILE H 2.050 . 2.300 1.662 1.575 1.707 0.225 11 0 "[ . 1 . 2 ]" 2 106 1 147 SER O 1 150 ILE N 2.900 2.500 3.300 2.591 2.534 2.639 . 0 0 "[ . 1 . 2 ]" 2 107 1 140 SER H 1 186 GLU O 2.050 . 2.300 2.299 1.862 2.381 0.081 19 0 "[ . 1 . 2 ]" 2 108 1 140 SER N 1 186 GLU O 2.900 2.500 3.300 3.234 2.753 3.329 0.029 21 0 "[ . 1 . 2 ]" 2 109 1 140 SER O 1 186 GLU H 2.050 . 2.300 2.175 1.743 2.359 0.059 11 0 "[ . 1 . 2 ]" 2 110 1 140 SER O 1 186 GLU N 2.900 2.500 3.300 3.054 2.630 3.277 . 0 0 "[ . 1 . 2 ]" 2 111 1 142 VAL H 1 184 TYR O 2.050 . 2.300 1.783 1.718 1.996 0.082 6 0 "[ . 1 . 2 ]" 2 112 1 142 VAL N 1 184 TYR O 2.900 2.500 3.300 2.588 2.435 2.859 0.065 19 0 "[ . 1 . 2 ]" 2 113 1 142 VAL O 1 184 TYR H 2.050 . 2.300 2.342 2.224 2.433 0.133 12 0 "[ . 1 . 2 ]" 2 114 1 142 VAL O 1 184 TYR N 2.900 2.500 3.300 3.180 3.007 3.324 0.024 22 0 "[ . 1 . 2 ]" 2 115 1 144 GLU H 1 182 SER O 2.050 . 2.300 2.340 1.899 2.410 0.110 3 0 "[ . 1 . 2 ]" 2 116 1 144 GLU N 1 182 SER O 2.900 2.500 3.300 3.213 2.878 3.285 . 0 0 "[ . 1 . 2 ]" 2 117 1 144 GLU O 1 182 SER H 2.050 . 2.300 2.008 1.732 2.321 0.068 22 0 "[ . 1 . 2 ]" 2 118 1 144 GLU O 1 182 SER N 2.900 2.500 3.300 2.889 2.656 3.158 . 0 0 "[ . 1 . 2 ]" 2 119 1 146 GLN H 1 180 CYS O 2.050 . 2.300 2.334 2.088 2.435 0.135 16 0 "[ . 1 . 2 ]" 2 120 1 146 GLN N 1 180 CYS O 2.900 2.500 3.300 3.064 2.852 3.200 . 0 0 "[ . 1 . 2 ]" 2 121 1 146 GLN O 1 180 CYS H 2.050 . 2.300 2.008 1.762 2.319 0.038 17 0 "[ . 1 . 2 ]" 2 122 1 146 GLN O 1 180 CYS N 2.900 2.500 3.300 2.908 2.644 3.273 . 0 0 "[ . 1 . 2 ]" 2 123 1 179 TYR H 1 201 THR O 2.050 . 2.300 2.268 1.824 2.370 0.070 2 0 "[ . 1 . 2 ]" 2 124 1 179 TYR N 1 201 THR O 2.900 2.500 3.300 3.209 2.643 3.336 0.036 2 0 "[ . 1 . 2 ]" 2 125 1 179 TYR O 1 201 THR H 2.050 . 2.300 2.214 1.748 2.346 0.052 13 0 "[ . 1 . 2 ]" 2 126 1 179 TYR O 1 201 THR N 2.900 2.500 3.300 2.903 2.606 3.039 . 0 0 "[ . 1 . 2 ]" 2 127 1 181 VAL H 1 199 LYS O 2.050 . 2.300 1.871 1.727 2.333 0.073 7 0 "[ . 1 . 2 ]" 2 128 1 181 VAL N 1 199 LYS O 2.900 2.500 3.300 2.791 2.600 3.251 . 0 0 "[ . 1 . 2 ]" 2 129 1 181 VAL O 1 199 LYS H 2.050 . 2.300 2.359 2.324 2.450 0.150 22 0 "[ . 1 . 2 ]" 2 130 1 181 VAL O 1 199 LYS N 2.900 2.500 3.300 3.174 2.987 3.345 0.045 22 0 "[ . 1 . 2 ]" 2 131 1 131 VAL O 1 134 GLU H 2.050 . 2.300 1.888 1.721 2.330 0.079 17 0 "[ . 1 . 2 ]" 2 132 1 131 VAL O 1 134 GLU N 2.900 2.500 3.300 2.762 2.594 3.185 . 0 0 "[ . 1 . 2 ]" 2 133 1 132 GLU O 1 135 LEU H 2.050 . 2.300 1.911 1.733 2.171 0.067 10 0 "[ . 1 . 2 ]" 2 134 1 132 GLU O 1 135 LEU N 2.900 2.500 3.300 2.770 2.479 3.139 0.021 15 0 "[ . 1 . 2 ]" 2 stop_ save_
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