NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
573442 | 2mhe | 19628 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mhe 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 2558 _Distance_constraint_stats_list.Viol_count 4063 _Distance_constraint_stats_list.Viol_total 7390.920 _Distance_constraint_stats_list.Viol_max 0.754 _Distance_constraint_stats_list.Viol_rms 0.0351 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0072 _Distance_constraint_stats_list.Viol_average_violations_only 0.0910 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 2 PRO 0.352 0.092 5 0 "[ . 1 . 2]" 1 3 ASP 3.180 0.276 8 0 "[ . 1 . 2]" 1 4 LYS 4.107 0.276 8 0 "[ . 1 . 2]" 1 5 GLN 4.301 0.187 2 0 "[ . 1 . 2]" 1 6 LEU 5.120 0.271 2 0 "[ . 1 . 2]" 1 7 LEU 2.766 0.148 13 0 "[ . 1 . 2]" 1 8 HIS 8.868 0.362 19 0 "[ . 1 . 2]" 1 9 ILE 7.687 0.290 1 0 "[ . 1 . 2]" 1 10 VAL 9.354 0.290 1 0 "[ . 1 . 2]" 1 11 VAL 5.359 0.258 16 0 "[ . 1 . 2]" 1 12 GLY 2.621 0.253 14 0 "[ . 1 . 2]" 1 13 GLY 2.224 0.191 13 0 "[ . 1 . 2]" 1 14 GLU 6.764 0.264 9 0 "[ . 1 . 2]" 1 15 LEU 13.427 0.382 18 0 "[ . 1 . 2]" 1 16 LYS 7.324 0.296 1 0 "[ . 1 . 2]" 1 17 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 18 VAL 3.276 0.240 20 0 "[ . 1 . 2]" 1 19 ALA 1.237 0.240 20 0 "[ . 1 . 2]" 1 20 GLY 2.041 0.219 14 0 "[ . 1 . 2]" 1 21 VAL 4.062 0.295 17 0 "[ . 1 . 2]" 1 22 GLU 4.290 0.223 13 0 "[ . 1 . 2]" 1 23 PHE 9.681 0.382 18 0 "[ . 1 . 2]" 1 24 ARG 4.293 0.293 15 0 "[ . 1 . 2]" 1 25 ASP 3.210 0.190 7 0 "[ . 1 . 2]" 1 26 LEU 18.001 0.754 16 15 "[ ** .*-*** * **+****]" 1 27 SER 0.177 0.120 8 0 "[ . 1 . 2]" 1 28 LYS 3.673 0.607 2 1 "[ + . 1 . 2]" 1 29 VAL 1.374 0.124 18 0 "[ . 1 . 2]" 1 30 GLU 2.499 0.160 20 0 "[ . 1 . 2]" 1 31 PHE 1.685 0.160 20 0 "[ . 1 . 2]" 1 32 VAL 3.208 0.253 14 0 "[ . 1 . 2]" 1 33 GLY 0.110 0.052 7 0 "[ . 1 . 2]" 1 34 ALA 8.411 0.245 10 0 "[ . 1 . 2]" 1 35 TYR 1.885 0.148 13 0 "[ . 1 . 2]" 1 36 PRO 0.101 0.075 7 0 "[ . 1 . 2]" 1 37 SER 3.036 0.218 14 0 "[ . 1 . 2]" 1 38 TYR 2.685 0.196 8 0 "[ . 1 . 2]" 1 39 ASP 0.290 0.063 2 0 "[ . 1 . 2]" 1 40 GLU 1.912 0.191 19 0 "[ . 1 . 2]" 1 41 ALA 10.826 0.362 19 0 "[ . 1 . 2]" 1 42 HIS 3.563 0.223 11 0 "[ . 1 . 2]" 1 43 LYS 7.690 0.341 4 0 "[ . 1 . 2]" 1 44 ALA 1.769 0.149 11 0 "[ . 1 . 2]" 1 45 TRP 17.444 0.445 12 0 "[ . 1 . 2]" 1 46 LYS 12.998 0.445 12 0 "[ . 1 . 2]" 1 47 ALA 1.343 0.096 5 0 "[ . 1 . 2]" 1 48 LYS 12.623 0.248 15 0 "[ . 1 . 2]" 1 49 ALA 3.253 0.149 18 0 "[ . 1 . 2]" 1 50 GLN 1.373 0.101 10 0 "[ . 1 . 2]" 1 51 ALA 3.688 0.148 13 0 "[ . 1 . 2]" 1 52 THR 2.010 0.164 9 0 "[ . 1 . 2]" 1 53 VAL 2.424 0.179 11 0 "[ . 1 . 2]" 1 54 ASP 1.323 0.150 16 0 "[ . 1 . 2]" 1 55 ASN 4.324 0.450 8 0 "[ . 1 . 2]" 1 56 ALA 1.626 0.450 8 0 "[ . 1 . 2]" 1 57 HIS 2.675 0.244 8 0 "[ . 1 . 2]" 1 58 ALA 10.267 0.310 20 0 "[ . 1 . 2]" 1 59 ARG 7.821 0.271 12 0 "[ . 1 . 2]" 1 60 TYR 5.721 0.204 20 0 "[ . 1 . 2]" 1 61 PHE 1.978 0.150 20 0 "[ . 1 . 2]" 1 62 ILE 10.082 0.432 9 0 "[ . 1 . 2]" 1 63 ILE 3.761 0.195 4 0 "[ . 1 . 2]" 1 64 HIS 2.810 0.282 19 0 "[ . 1 . 2]" 1 65 ALA 2.120 0.342 8 0 "[ . 1 . 2]" 1 66 HIS 2.204 0.260 16 0 "[ . 1 . 2]" 1 67 LYS 2.980 0.342 8 0 "[ . 1 . 2]" 1 68 LEU 8.059 0.367 12 0 "[ . 1 . 2]" 1 69 LEU 7.919 0.296 8 0 "[ . 1 . 2]" 1 70 ASP 5.253 0.276 8 0 "[ . 1 . 2]" 1 71 PRO 4.975 0.276 8 0 "[ . 1 . 2]" 1 72 SER 0.253 0.102 9 0 "[ . 1 . 2]" 1 73 GLU 0.951 0.087 3 0 "[ . 1 . 2]" 1 74 GLY 0.627 0.085 4 0 "[ . 1 . 2]" 2 2 PRO 0.388 0.126 19 0 "[ . 1 . 2]" 2 3 ASP 2.722 0.273 3 0 "[ . 1 . 2]" 2 4 LYS 3.790 0.273 3 0 "[ . 1 . 2]" 2 5 GLN 4.933 0.326 2 0 "[ . 1 . 2]" 2 6 LEU 5.727 0.326 2 0 "[ . 1 . 2]" 2 7 LEU 3.329 0.246 8 0 "[ . 1 . 2]" 2 8 HIS 9.444 0.368 19 0 "[ . 1 . 2]" 2 9 ILE 8.097 0.248 1 0 "[ . 1 . 2]" 2 10 VAL 10.620 0.273 7 0 "[ . 1 . 2]" 2 11 VAL 5.554 0.282 5 0 "[ . 1 . 2]" 2 12 GLY 2.317 0.234 14 0 "[ . 1 . 2]" 2 13 GLY 2.166 0.171 9 0 "[ . 1 . 2]" 2 14 GLU 6.347 0.216 19 0 "[ . 1 . 2]" 2 15 LEU 12.689 0.574 5 1 "[ + 1 . 2]" 2 16 LYS 5.816 0.240 1 0 "[ . 1 . 2]" 2 17 ASP 0.141 0.141 3 0 "[ . 1 . 2]" 2 18 VAL 3.692 0.171 12 0 "[ . 1 . 2]" 2 19 ALA 1.456 0.113 18 0 "[ . 1 . 2]" 2 20 GLY 2.380 0.171 12 0 "[ . 1 . 2]" 2 21 VAL 3.950 0.296 11 0 "[ . 1 . 2]" 2 22 GLU 3.901 0.296 11 0 "[ . 1 . 2]" 2 23 PHE 9.277 0.574 5 1 "[ + 1 . 2]" 2 24 ARG 3.170 0.234 15 0 "[ . 1 . 2]" 2 25 ASP 2.617 0.227 7 0 "[ . 1 . 2]" 2 26 LEU 19.419 0.749 12 17 "[*-**.***** + *******]" 2 27 SER 0.258 0.085 12 0 "[ . 1 . 2]" 2 28 LYS 3.325 0.685 1 2 "[+- . 1 . 2]" 2 29 VAL 1.617 0.173 3 0 "[ . 1 . 2]" 2 30 GLU 2.421 0.173 3 0 "[ . 1 . 2]" 2 31 PHE 1.192 0.114 5 0 "[ . 1 . 2]" 2 32 VAL 3.785 0.234 14 0 "[ . 1 . 2]" 2 33 GLY 0.297 0.083 6 0 "[ . 1 . 2]" 2 34 ALA 9.616 0.273 7 0 "[ . 1 . 2]" 2 35 TYR 2.147 0.241 8 0 "[ . 1 . 2]" 2 36 PRO 0.572 0.350 5 0 "[ . 1 . 2]" 2 37 SER 3.574 0.350 5 0 "[ . 1 . 2]" 2 38 TYR 3.704 0.296 8 0 "[ . 1 . 2]" 2 39 ASP 0.835 0.199 9 0 "[ . 1 . 2]" 2 40 GLU 1.870 0.180 19 0 "[ . 1 . 2]" 2 41 ALA 10.485 0.368 19 0 "[ . 1 . 2]" 2 42 HIS 3.797 0.226 19 0 "[ . 1 . 2]" 2 43 LYS 7.882 0.339 11 0 "[ . 1 . 2]" 2 44 ALA 1.835 0.145 16 0 "[ . 1 . 2]" 2 45 TRP 18.509 0.447 4 0 "[ . 1 . 2]" 2 46 LYS 14.124 0.447 4 0 "[ . 1 . 2]" 2 47 ALA 1.496 0.135 13 0 "[ . 1 . 2]" 2 48 LYS 13.839 0.240 6 0 "[ . 1 . 2]" 2 49 ALA 3.356 0.204 15 0 "[ . 1 . 2]" 2 50 GLN 1.258 0.135 13 0 "[ . 1 . 2]" 2 51 ALA 3.867 0.162 11 0 "[ . 1 . 2]" 2 52 THR 2.885 0.204 9 0 "[ . 1 . 2]" 2 53 VAL 2.909 0.206 20 0 "[ . 1 . 2]" 2 54 ASP 1.776 0.206 20 0 "[ . 1 . 2]" 2 55 ASN 5.429 0.301 14 0 "[ . 1 . 2]" 2 56 ALA 1.631 0.246 3 0 "[ . 1 . 2]" 2 57 HIS 2.951 0.246 3 0 "[ . 1 . 2]" 2 58 ALA 9.944 0.341 16 0 "[ . 1 . 2]" 2 59 ARG 7.251 0.283 17 0 "[ . 1 . 2]" 2 60 TYR 4.603 0.209 13 0 "[ . 1 . 2]" 2 61 PHE 2.062 0.190 5 0 "[ . 1 . 2]" 2 62 ILE 10.310 0.372 19 0 "[ . 1 . 2]" 2 63 ILE 3.913 0.372 19 0 "[ . 1 . 2]" 2 64 HIS 2.843 0.201 2 0 "[ . 1 . 2]" 2 65 ALA 3.375 0.205 8 0 "[ . 1 . 2]" 2 66 HIS 2.491 0.248 14 0 "[ . 1 . 2]" 2 67 LYS 3.134 0.277 12 0 "[ . 1 . 2]" 2 68 LEU 8.626 0.432 9 0 "[ . 1 . 2]" 2 69 LEU 7.606 0.196 8 0 "[ . 1 . 2]" 2 70 ASP 4.851 0.257 12 0 "[ . 1 . 2]" 2 71 PRO 5.078 0.257 12 0 "[ . 1 . 2]" 2 72 SER 0.600 0.100 9 0 "[ . 1 . 2]" 2 73 GLU 0.839 0.139 17 0 "[ . 1 . 2]" 2 74 GLY 0.334 0.066 3 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 2 PRO HA 1 3 ASP H . . 2.960 2.411 2.151 2.987 0.027 16 0 "[ . 1 . 2]" 1 2 1 2 PRO QD 1 3 ASP H . . 4.930 4.616 3.430 5.022 0.092 5 0 "[ . 1 . 2]" 1 3 1 3 ASP H 1 3 ASP QB . . 3.230 2.451 2.200 2.753 . 0 0 "[ . 1 . 2]" 1 4 1 3 ASP H 1 4 LYS H . . 4.360 3.999 2.571 4.552 0.192 5 0 "[ . 1 . 2]" 1 5 1 3 ASP HA 1 4 LYS H . . 2.940 2.332 2.094 3.216 0.276 8 0 "[ . 1 . 2]" 1 6 1 3 ASP HA 1 4 LYS HB2 . . 5.500 4.924 4.397 5.679 0.179 18 0 "[ . 1 . 2]" 1 7 1 3 ASP HA 1 4 LYS HB3 . . 5.500 5.139 4.364 5.757 0.257 11 0 "[ . 1 . 2]" 1 8 1 3 ASP QB 1 4 LYS H . . 4.400 3.696 2.791 4.067 . 0 0 "[ . 1 . 2]" 1 9 1 4 LYS H 1 4 LYS QB . . 2.980 2.585 2.274 3.115 0.135 18 0 "[ . 1 . 2]" 1 10 1 4 LYS H 1 4 LYS HG2 . . 5.450 3.959 2.013 5.191 . 0 0 "[ . 1 . 2]" 1 11 1 4 LYS H 1 4 LYS QG . . 4.720 3.504 1.978 4.365 . 0 0 "[ . 1 . 2]" 1 12 1 4 LYS H 1 4 LYS HG3 . . 5.450 4.112 2.463 4.929 . 0 0 "[ . 1 . 2]" 1 13 1 4 LYS H 1 5 GLN H . . 4.420 3.930 2.938 4.542 0.122 2 0 "[ . 1 . 2]" 1 14 1 4 LYS HA 1 4 LYS QD . . 4.210 3.376 1.956 4.342 0.132 5 0 "[ . 1 . 2]" 1 15 1 4 LYS HA 1 5 GLN H . . 2.710 2.235 2.127 2.379 . 0 0 "[ . 1 . 2]" 1 16 1 4 LYS HA 1 5 GLN HG3 . . 4.670 4.008 3.617 4.408 . 0 0 "[ . 1 . 2]" 1 17 1 4 LYS QB 1 5 GLN H . . 4.090 3.722 2.662 4.055 . 0 0 "[ . 1 . 2]" 1 18 1 4 LYS HB2 1 5 GLN H . . 4.680 4.317 2.705 4.679 . 0 0 "[ . 1 . 2]" 1 19 1 4 LYS HB3 1 5 GLN H . . 4.680 4.189 3.116 4.600 . 0 0 "[ . 1 . 2]" 1 20 1 4 LYS QG 1 5 GLN H . . 4.810 4.068 3.436 4.558 . 0 0 "[ . 1 . 2]" 1 21 1 4 LYS HG2 1 5 GLN H . . 5.500 4.892 3.725 5.541 0.041 12 0 "[ . 1 . 2]" 1 22 1 4 LYS HG3 1 5 GLN H . . 5.500 4.478 3.748 5.564 0.064 20 0 "[ . 1 . 2]" 1 23 1 5 GLN H 1 5 GLN HB2 . . 3.620 3.628 3.568 3.733 0.113 12 0 "[ . 1 . 2]" 1 24 1 5 GLN H 1 5 GLN HB3 . . 3.790 2.973 2.835 3.204 . 0 0 "[ . 1 . 2]" 1 25 1 5 GLN H 1 5 GLN HE22 . . 5.500 4.716 4.275 5.154 . 0 0 "[ . 1 . 2]" 1 26 1 5 GLN H 1 5 GLN HG2 . . 4.470 3.592 3.445 3.696 . 0 0 "[ . 1 . 2]" 1 27 1 5 GLN H 1 5 GLN HG3 . . 5.060 2.093 1.840 2.333 . 0 0 "[ . 1 . 2]" 1 28 1 5 GLN H 1 6 LEU QD . . 5.440 5.360 4.754 5.607 0.167 4 0 "[ . 1 . 2]" 1 29 1 5 GLN HA 1 5 GLN HE21 . . 5.170 4.656 3.940 5.117 . 0 0 "[ . 1 . 2]" 1 30 1 5 GLN HB2 1 5 GLN HE21 . . 3.720 2.622 1.937 3.825 0.105 2 0 "[ . 1 . 2]" 1 31 1 5 GLN HB2 1 5 GLN HE22 . . 4.140 3.924 3.534 4.223 0.083 2 0 "[ . 1 . 2]" 1 32 1 5 GLN HB2 1 6 LEU H . . 4.120 3.901 2.476 4.172 0.052 19 0 "[ . 1 . 2]" 1 33 1 5 GLN HB2 2 26 LEU MD1 . . 5.500 3.665 2.289 5.265 . 0 0 "[ . 1 . 2]" 1 34 1 5 GLN HB2 2 26 LEU MD2 . . 5.500 2.636 1.544 4.840 . 0 0 "[ . 1 . 2]" 1 35 1 5 GLN HB3 1 5 GLN HE21 . . 4.770 3.926 3.508 4.257 . 0 0 "[ . 1 . 2]" 1 36 1 5 GLN HB3 1 6 LEU H . . 4.750 4.332 3.780 4.449 . 0 0 "[ . 1 . 2]" 1 37 1 5 GLN HE21 1 5 GLN HG2 . . 3.450 2.579 2.334 3.426 . 0 0 "[ . 1 . 2]" 1 38 1 5 GLN HE21 2 22 GLU HA . . 5.500 4.604 3.481 5.561 0.061 18 0 "[ . 1 . 2]" 1 39 1 5 GLN HE21 2 22 GLU QB . . 4.950 4.214 3.163 5.050 0.100 7 0 "[ . 1 . 2]" 1 40 1 5 GLN HE21 2 23 PHE H . . 4.490 3.492 2.664 4.505 0.015 18 0 "[ . 1 . 2]" 1 41 1 5 GLN HE21 2 26 LEU MD1 . . 4.690 3.243 1.949 4.775 0.085 2 0 "[ . 1 . 2]" 1 42 1 5 GLN HE21 2 26 LEU QD . . 3.690 2.525 1.652 3.877 0.187 2 0 "[ . 1 . 2]" 1 43 1 5 GLN HE21 2 26 LEU MD2 . . 4.690 2.804 1.658 4.102 . 0 0 "[ . 1 . 2]" 1 44 1 5 GLN HE21 2 26 LEU HG . . 5.390 4.655 3.637 5.404 0.014 20 0 "[ . 1 . 2]" 1 45 1 5 GLN HE22 1 5 GLN HG2 . . 3.900 3.632 3.521 4.015 0.115 2 0 "[ . 1 . 2]" 1 46 1 5 GLN HE22 1 6 LEU QB . . 4.000 3.012 1.904 4.092 0.092 2 0 "[ . 1 . 2]" 1 47 1 5 GLN HE22 1 6 LEU MD1 . . 5.160 3.557 2.610 4.658 . 0 0 "[ . 1 . 2]" 1 48 1 5 GLN HE22 1 6 LEU QD . . 4.200 3.417 2.584 4.319 0.119 9 0 "[ . 1 . 2]" 1 49 1 5 GLN HE22 1 6 LEU MD2 . . 5.160 4.665 3.769 5.256 0.096 7 0 "[ . 1 . 2]" 1 50 1 5 GLN HE22 1 6 LEU HG . . 5.280 4.654 3.672 5.400 0.120 8 0 "[ . 1 . 2]" 1 51 1 5 GLN HE22 2 16 LYS QE . . 5.130 3.939 2.914 5.069 . 0 0 "[ . 1 . 2]" 1 52 1 5 GLN HE22 2 22 GLU HA . . 5.240 3.171 2.338 3.972 . 0 0 "[ . 1 . 2]" 1 53 1 5 GLN HE22 2 22 GLU QB . . 4.080 3.335 1.911 4.189 0.109 12 0 "[ . 1 . 2]" 1 54 1 5 GLN HE22 2 23 PHE H . . 3.970 2.324 1.859 3.240 . 0 0 "[ . 1 . 2]" 1 55 1 5 GLN HE22 2 23 PHE HB3 . . 5.140 4.321 3.505 5.182 0.042 11 0 "[ . 1 . 2]" 1 56 1 5 GLN HE22 2 26 LEU MD1 . . 5.180 3.770 2.815 5.133 . 0 0 "[ . 1 . 2]" 1 57 1 5 GLN HE22 2 26 LEU QD . . 3.730 3.220 2.578 3.887 0.157 16 0 "[ . 1 . 2]" 1 58 1 5 GLN HE22 2 26 LEU MD2 . . 5.180 3.814 2.636 4.910 . 0 0 "[ . 1 . 2]" 1 59 1 5 GLN HG2 1 6 LEU H . . 4.660 4.557 4.326 4.794 0.134 2 0 "[ . 1 . 2]" 1 60 1 5 GLN HG2 2 26 LEU QD . . 5.020 3.560 2.190 4.727 . 0 0 "[ . 1 . 2]" 1 61 1 5 GLN HG3 1 6 LEU H . . 4.870 3.724 3.203 4.638 . 0 0 "[ . 1 . 2]" 1 62 1 6 LEU H 1 6 LEU QB . . 3.190 2.269 2.136 3.016 . 0 0 "[ . 1 . 2]" 1 63 1 6 LEU H 1 6 LEU MD1 . . 4.740 4.221 4.011 4.993 0.253 2 0 "[ . 1 . 2]" 1 64 1 6 LEU H 1 6 LEU QD . . 3.910 3.800 3.703 4.112 0.202 2 0 "[ . 1 . 2]" 1 65 1 6 LEU H 1 6 LEU MD2 . . 4.740 4.327 4.252 4.439 . 0 0 "[ . 1 . 2]" 1 66 1 6 LEU H 1 6 LEU HG . . 4.460 4.474 4.317 4.731 0.271 2 0 "[ . 1 . 2]" 1 67 1 6 LEU HA 1 6 LEU MD1 . . 4.110 2.809 2.057 3.876 . 0 0 "[ . 1 . 2]" 1 68 1 6 LEU HA 1 6 LEU QD . . 3.220 2.409 2.050 2.987 . 0 0 "[ . 1 . 2]" 1 69 1 6 LEU HA 1 6 LEU MD2 . . 4.110 3.533 2.790 3.977 . 0 0 "[ . 1 . 2]" 1 70 1 6 LEU HA 1 6 LEU HG . . 4.050 2.854 2.364 3.207 . 0 0 "[ . 1 . 2]" 1 71 1 6 LEU HA 1 7 LEU MD1 . . 5.430 3.227 2.348 5.397 . 0 0 "[ . 1 . 2]" 1 72 1 6 LEU HA 1 7 LEU QD . . 4.340 2.892 2.339 3.932 . 0 0 "[ . 1 . 2]" 1 73 1 6 LEU HA 1 7 LEU MD2 . . 5.430 4.786 2.934 5.527 0.097 3 0 "[ . 1 . 2]" 1 74 1 6 LEU HA 1 7 LEU HG . . 5.500 4.831 3.067 5.546 0.046 19 0 "[ . 1 . 2]" 1 75 1 6 LEU QD 1 7 LEU H . . 3.900 2.387 1.618 3.023 . 0 0 "[ . 1 . 2]" 1 76 1 6 LEU QD 1 66 HIS H . . 4.580 3.765 2.824 4.286 . 0 0 "[ . 1 . 2]" 1 77 1 6 LEU QD 1 66 HIS HA . . 4.490 2.076 1.490 2.385 . 0 0 "[ . 1 . 2]" 1 78 1 6 LEU QD 1 66 HIS QB . . 5.130 3.082 2.291 3.683 . 0 0 "[ . 1 . 2]" 1 79 1 6 LEU QD 1 66 HIS HE1 . . 4.700 3.431 2.846 4.753 0.053 1 0 "[ . 1 . 2]" 1 80 1 6 LEU QD 1 67 LYS H . . 5.440 4.319 2.506 5.005 . 0 0 "[ . 1 . 2]" 1 81 1 6 LEU MD1 1 66 HIS H . . 5.500 4.648 3.866 5.431 . 0 0 "[ . 1 . 2]" 1 82 1 6 LEU MD1 1 66 HIS HE1 . . 5.500 5.087 3.684 5.622 0.122 6 0 "[ . 1 . 2]" 1 83 1 6 LEU MD2 1 66 HIS H . . 5.500 4.191 2.858 5.407 . 0 0 "[ . 1 . 2]" 1 84 1 6 LEU MD2 1 66 HIS HE1 . . 5.500 3.721 2.855 5.578 0.078 9 0 "[ . 1 . 2]" 1 85 1 6 LEU HG 1 7 LEU H . . 3.200 3.137 2.538 3.320 0.120 8 0 "[ . 1 . 2]" 1 86 1 7 LEU H 1 7 LEU HB2 . . 4.060 3.972 3.700 4.071 0.011 19 0 "[ . 1 . 2]" 1 87 1 7 LEU H 1 7 LEU QB . . 3.410 3.210 3.000 3.359 . 0 0 "[ . 1 . 2]" 1 88 1 7 LEU H 1 7 LEU HB3 . . 4.060 3.394 3.115 3.587 . 0 0 "[ . 1 . 2]" 1 89 1 7 LEU H 1 7 LEU MD1 . . 4.510 2.458 1.855 4.329 . 0 0 "[ . 1 . 2]" 1 90 1 7 LEU H 1 7 LEU QD . . 3.920 2.187 1.822 3.018 . 0 0 "[ . 1 . 2]" 1 91 1 7 LEU H 1 7 LEU MD2 . . 4.510 3.589 1.824 4.164 . 0 0 "[ . 1 . 2]" 1 92 1 7 LEU H 1 7 LEU HG . . 4.680 3.864 1.935 4.536 . 0 0 "[ . 1 . 2]" 1 93 1 7 LEU H 1 8 HIS H . . 4.590 4.320 4.260 4.368 . 0 0 "[ . 1 . 2]" 1 94 1 7 LEU H 1 8 HIS HD2 . . 5.240 5.066 4.738 5.336 0.096 7 0 "[ . 1 . 2]" 1 95 1 7 LEU H 2 26 LEU MD1 . . 5.500 4.030 3.473 5.252 . 0 0 "[ . 1 . 2]" 1 96 1 7 LEU H 2 26 LEU MD2 . . 5.500 5.078 3.607 5.585 0.085 13 0 "[ . 1 . 2]" 1 97 1 7 LEU HA 1 7 LEU MD1 . . 4.170 3.667 3.537 4.174 0.004 6 0 "[ . 1 . 2]" 1 98 1 7 LEU HA 1 7 LEU QD . . 3.360 3.331 3.264 3.505 0.145 8 0 "[ . 1 . 2]" 1 99 1 7 LEU HA 1 7 LEU MD2 . . 4.170 3.849 3.667 4.091 . 0 0 "[ . 1 . 2]" 1 100 1 7 LEU HA 1 8 HIS H . . 3.020 2.644 2.477 2.780 . 0 0 "[ . 1 . 2]" 1 101 1 7 LEU QB 1 7 LEU QD . . 2.850 2.076 1.952 2.136 . 0 0 "[ . 1 . 2]" 1 102 1 7 LEU QB 1 35 TYR H . . 5.340 5.188 4.676 5.488 0.148 13 0 "[ . 1 . 2]" 1 103 1 7 LEU QD 1 8 HIS H . . 3.910 2.648 2.163 3.160 . 0 0 "[ . 1 . 2]" 1 104 1 7 LEU QD 1 34 ALA HA . . 4.650 3.353 2.990 3.847 . 0 0 "[ . 1 . 2]" 1 105 1 7 LEU QD 1 34 ALA MB . . 2.970 2.481 2.104 2.861 . 0 0 "[ . 1 . 2]" 1 106 1 7 LEU QD 1 35 TYR H . . 3.840 2.137 1.790 2.747 . 0 0 "[ . 1 . 2]" 1 107 1 7 LEU QD 1 35 TYR HB3 . . 5.220 4.016 3.423 4.505 . 0 0 "[ . 1 . 2]" 1 108 1 7 LEU QD 1 36 PRO QD . . 5.440 4.471 4.197 4.716 . 0 0 "[ . 1 . 2]" 1 109 1 7 LEU QD 1 38 TYR H . . 4.680 3.687 2.623 4.338 . 0 0 "[ . 1 . 2]" 1 110 1 7 LEU QD 2 23 PHE QD . . 4.550 3.819 2.977 4.569 0.019 3 0 "[ . 1 . 2]" 1 111 1 7 LEU QD 2 26 LEU HA . . 5.440 4.727 4.229 5.364 . 0 0 "[ . 1 . 2]" 1 112 1 7 LEU QD 2 26 LEU QD . . 3.000 2.157 1.799 2.451 . 0 0 "[ . 1 . 2]" 1 113 1 7 LEU HG 1 8 HIS H . . 4.770 4.099 2.599 4.570 . 0 0 "[ . 1 . 2]" 1 114 1 7 LEU HG 1 38 TYR H . . 5.410 4.443 3.237 5.541 0.131 14 0 "[ . 1 . 2]" 1 115 1 8 HIS H 1 8 HIS QB . . 3.650 2.405 2.355 2.454 . 0 0 "[ . 1 . 2]" 1 116 1 8 HIS HA 1 8 HIS HD2 . . 4.920 2.700 2.436 2.954 . 0 0 "[ . 1 . 2]" 1 117 1 8 HIS HA 1 9 ILE H . . 3.050 2.223 2.176 2.274 . 0 0 "[ . 1 . 2]" 1 118 1 8 HIS HA 1 9 ILE MD . . 5.360 5.361 5.180 5.455 0.095 1 0 "[ . 1 . 2]" 1 119 1 8 HIS HA 1 9 ILE HG12 . . 5.200 4.104 4.019 4.194 . 0 0 "[ . 1 . 2]" 1 120 1 8 HIS HA 1 62 ILE MG . . 5.070 3.781 3.592 3.981 . 0 0 "[ . 1 . 2]" 1 121 1 8 HIS HA 1 63 ILE H . . 5.500 4.670 4.431 5.148 . 0 0 "[ . 1 . 2]" 1 122 1 8 HIS HA 1 65 ALA H . . 3.620 2.222 1.717 2.683 . 0 0 "[ . 1 . 2]" 1 123 1 8 HIS HA 1 65 ALA MB . . 4.540 3.326 2.457 3.761 . 0 0 "[ . 1 . 2]" 1 124 1 8 HIS QB 1 9 ILE H . . 3.740 3.611 3.382 3.719 . 0 0 "[ . 1 . 2]" 1 125 1 8 HIS QB 1 41 ALA H . . 5.500 5.761 5.651 5.862 0.362 19 0 "[ . 1 . 2]" 1 126 1 8 HIS QB 1 41 ALA MB . . 3.340 3.410 3.131 3.553 0.213 10 0 "[ . 1 . 2]" 1 127 1 8 HIS QB 1 62 ILE MG . . 3.270 1.946 1.831 2.090 . 0 0 "[ . 1 . 2]" 1 128 1 8 HIS QB 1 63 ILE H . . 4.840 3.601 3.285 4.024 . 0 0 "[ . 1 . 2]" 1 129 1 8 HIS QB 1 63 ILE HA . . 5.100 4.532 4.184 5.102 0.002 19 0 "[ . 1 . 2]" 1 130 1 8 HIS QB 1 64 HIS HA . . 4.990 3.092 2.678 3.530 . 0 0 "[ . 1 . 2]" 1 131 1 8 HIS QB 2 69 LEU QD . . 5.260 2.779 2.118 3.287 . 0 0 "[ . 1 . 2]" 1 132 1 8 HIS HD2 1 9 ILE H . . 5.300 4.832 4.537 5.105 . 0 0 "[ . 1 . 2]" 1 133 1 8 HIS HD2 1 64 HIS HA . . 3.620 2.891 2.496 3.539 . 0 0 "[ . 1 . 2]" 1 134 1 8 HIS HD2 1 64 HIS QB . . 5.140 3.397 2.903 4.666 . 0 0 "[ . 1 . 2]" 1 135 1 8 HIS HD2 1 65 ALA H . . 3.370 3.282 2.552 3.439 0.069 8 0 "[ . 1 . 2]" 1 136 1 8 HIS HD2 1 65 ALA MB . . 4.700 4.661 3.790 4.841 0.141 3 0 "[ . 1 . 2]" 1 137 1 9 ILE H 1 9 ILE HB . . 3.790 3.685 3.649 3.708 . 0 0 "[ . 1 . 2]" 1 138 1 9 ILE H 1 9 ILE MD . . 4.250 3.718 3.593 3.794 . 0 0 "[ . 1 . 2]" 1 139 1 9 ILE H 1 9 ILE HG12 . . 3.770 2.230 2.117 2.317 . 0 0 "[ . 1 . 2]" 1 140 1 9 ILE H 1 9 ILE HG13 . . 3.930 3.409 3.299 3.528 . 0 0 "[ . 1 . 2]" 1 141 1 9 ILE H 1 9 ILE MG . . 4.110 2.216 2.067 2.339 . 0 0 "[ . 1 . 2]" 1 142 1 9 ILE H 1 10 VAL H . . 4.660 4.625 4.580 4.650 . 0 0 "[ . 1 . 2]" 1 143 1 9 ILE H 1 41 ALA MB . . 4.910 4.858 4.745 5.014 0.104 11 0 "[ . 1 . 2]" 1 144 1 9 ILE H 1 64 HIS HA . . 4.400 3.861 3.442 4.517 0.117 19 0 "[ . 1 . 2]" 1 145 1 9 ILE H 1 65 ALA H . . 4.610 2.991 2.474 3.750 . 0 0 "[ . 1 . 2]" 1 146 1 9 ILE H 1 65 ALA MB . . 4.880 2.555 2.207 2.918 . 0 0 "[ . 1 . 2]" 1 147 1 9 ILE H 2 63 ILE MD . . 5.090 4.621 4.125 5.086 . 0 0 "[ . 1 . 2]" 1 148 1 9 ILE HA 1 9 ILE MD . . 4.280 4.276 4.264 4.292 0.012 12 0 "[ . 1 . 2]" 1 149 1 9 ILE HA 1 9 ILE HG12 . . 4.130 3.806 3.771 3.839 . 0 0 "[ . 1 . 2]" 1 150 1 9 ILE HA 1 10 VAL H . . 2.830 2.447 2.335 2.550 . 0 0 "[ . 1 . 2]" 1 151 1 9 ILE HA 1 34 ALA MB . . 4.250 2.958 2.557 3.196 . 0 0 "[ . 1 . 2]" 1 152 1 9 ILE HA 1 35 TYR H . . 3.980 3.804 3.659 3.952 . 0 0 "[ . 1 . 2]" 1 153 1 9 ILE HB 1 9 ILE MD . . 3.420 2.531 2.490 2.596 . 0 0 "[ . 1 . 2]" 1 154 1 9 ILE HB 1 10 VAL H . . 3.280 2.352 2.195 2.512 . 0 0 "[ . 1 . 2]" 1 155 1 9 ILE HB 1 10 VAL MG2 . . 3.650 3.824 3.719 3.940 0.290 1 0 "[ . 1 . 2]" 1 156 1 9 ILE HB 1 34 ALA HA . . 5.500 3.480 3.348 3.658 . 0 0 "[ . 1 . 2]" 1 157 1 9 ILE HB 1 35 TYR H . . 5.500 5.333 5.067 5.640 0.140 19 0 "[ . 1 . 2]" 1 158 1 9 ILE HB 2 31 PHE QE . . 4.510 3.057 2.545 3.545 . 0 0 "[ . 1 . 2]" 1 159 1 9 ILE MD 1 9 ILE MG . . 2.630 2.031 2.004 2.050 . 0 0 "[ . 1 . 2]" 1 160 1 9 ILE MD 1 10 VAL H . . 4.830 4.204 3.973 4.410 . 0 0 "[ . 1 . 2]" 1 161 1 9 ILE MD 1 34 ALA MB . . 4.180 3.851 3.654 4.157 . 0 0 "[ . 1 . 2]" 1 162 1 9 ILE MD 1 65 ALA H . . 5.500 4.888 4.543 5.498 . 0 0 "[ . 1 . 2]" 1 163 1 9 ILE MD 1 65 ALA MB . . 3.010 2.519 2.198 2.988 . 0 0 "[ . 1 . 2]" 1 164 1 9 ILE MD 2 31 PHE QD . . 3.750 3.231 2.868 3.570 . 0 0 "[ . 1 . 2]" 1 165 1 9 ILE MD 2 31 PHE QE . . 3.590 1.699 1.505 2.018 . 0 0 "[ . 1 . 2]" 1 166 1 9 ILE MD 2 63 ILE MD . . 2.710 2.180 1.892 2.544 . 0 0 "[ . 1 . 2]" 1 167 1 9 ILE HG12 1 9 ILE MG . . 2.910 2.510 2.479 2.551 . 0 0 "[ . 1 . 2]" 1 168 1 9 ILE HG12 1 10 VAL H . . 5.190 4.518 4.384 4.659 . 0 0 "[ . 1 . 2]" 1 169 1 9 ILE HG12 1 65 ALA MB . . 4.080 2.360 1.967 2.958 . 0 0 "[ . 1 . 2]" 1 170 1 9 ILE HG13 1 10 VAL HA . . 4.990 4.120 3.948 4.379 . 0 0 "[ . 1 . 2]" 1 171 1 9 ILE HG13 1 34 ALA HA . . 5.500 5.634 5.529 5.730 0.230 14 0 "[ . 1 . 2]" 1 172 1 9 ILE HG13 1 63 ILE H . . 4.720 3.669 3.262 4.146 . 0 0 "[ . 1 . 2]" 1 173 1 9 ILE HG13 2 31 PHE QE . . 5.020 3.608 3.025 3.921 . 0 0 "[ . 1 . 2]" 1 174 1 9 ILE HG13 2 63 ILE MD . . 5.230 3.992 3.522 4.493 . 0 0 "[ . 1 . 2]" 1 175 1 9 ILE MG 1 10 VAL H . . 3.970 3.751 3.687 3.826 . 0 0 "[ . 1 . 2]" 1 176 1 9 ILE MG 1 33 GLY QA . . 5.340 5.178 4.865 5.392 0.052 7 0 "[ . 1 . 2]" 1 177 1 9 ILE MG 1 34 ALA MB . . 4.090 1.932 1.787 2.006 . 0 0 "[ . 1 . 2]" 1 178 1 9 ILE MG 1 64 HIS HA . . 5.500 5.293 4.688 5.782 0.282 19 0 "[ . 1 . 2]" 1 179 1 9 ILE MG 1 65 ALA H . . 5.000 3.891 3.347 4.519 . 0 0 "[ . 1 . 2]" 1 180 1 9 ILE MG 1 65 ALA HA . . 5.500 4.326 3.849 4.598 . 0 0 "[ . 1 . 2]" 1 181 1 9 ILE MG 1 65 ALA MB . . 2.970 1.958 1.679 2.244 . 0 0 "[ . 1 . 2]" 1 182 1 9 ILE MG 2 31 PHE QE . . 5.100 3.370 2.626 4.121 . 0 0 "[ . 1 . 2]" 1 183 1 10 VAL H 1 10 VAL HB . . 3.810 3.687 3.641 3.729 . 0 0 "[ . 1 . 2]" 1 184 1 10 VAL H 1 10 VAL MG1 . . 3.540 3.247 3.126 3.375 . 0 0 "[ . 1 . 2]" 1 185 1 10 VAL H 1 10 VAL MG2 . . 3.050 1.979 1.882 2.072 . 0 0 "[ . 1 . 2]" 1 186 1 10 VAL H 1 11 VAL H . . 4.660 4.391 4.261 4.457 . 0 0 "[ . 1 . 2]" 1 187 1 10 VAL H 1 34 ALA HA . . 4.050 2.895 2.681 3.132 . 0 0 "[ . 1 . 2]" 1 188 1 10 VAL H 1 34 ALA MB . . 4.370 3.544 3.425 3.747 . 0 0 "[ . 1 . 2]" 1 189 1 10 VAL H 1 35 TYR H . . 5.220 4.944 4.389 5.231 0.011 14 0 "[ . 1 . 2]" 1 190 1 10 VAL HA 1 10 VAL MG1 . . 3.090 2.226 2.196 2.255 . 0 0 "[ . 1 . 2]" 1 191 1 10 VAL HA 1 10 VAL MG2 . . 3.210 3.222 3.207 3.235 0.025 15 0 "[ . 1 . 2]" 1 192 1 10 VAL HA 1 11 VAL H . . 2.920 2.099 2.035 2.164 . 0 0 "[ . 1 . 2]" 1 193 1 10 VAL HA 1 11 VAL MG1 . . 5.500 3.590 3.373 3.827 . 0 0 "[ . 1 . 2]" 1 194 1 10 VAL HA 1 11 VAL QG . . 4.290 3.363 3.204 3.491 . 0 0 "[ . 1 . 2]" 1 195 1 10 VAL HA 1 11 VAL MG2 . . 5.500 4.566 3.574 5.488 . 0 0 "[ . 1 . 2]" 1 196 1 10 VAL HA 1 62 ILE MG . . 4.700 2.876 2.727 2.984 . 0 0 "[ . 1 . 2]" 1 197 1 10 VAL HA 1 63 ILE H . . 4.050 3.302 3.045 3.513 . 0 0 "[ . 1 . 2]" 1 198 1 10 VAL HB 1 11 VAL H . . 4.370 3.236 2.994 3.520 . 0 0 "[ . 1 . 2]" 1 199 1 10 VAL HB 1 11 VAL HA . . 5.500 4.423 4.283 4.562 . 0 0 "[ . 1 . 2]" 1 200 1 10 VAL HB 1 32 VAL H . . 4.610 4.196 3.850 4.488 . 0 0 "[ . 1 . 2]" 1 201 1 10 VAL HB 1 32 VAL HB . . 3.610 2.089 1.925 2.482 . 0 0 "[ . 1 . 2]" 1 202 1 10 VAL HB 1 32 VAL MG1 . . 3.770 2.872 2.729 3.143 . 0 0 "[ . 1 . 2]" 1 203 1 10 VAL HB 1 32 VAL MG2 . . 4.010 2.861 2.624 3.152 . 0 0 "[ . 1 . 2]" 1 204 1 10 VAL MG1 1 11 VAL H . . 3.550 3.517 3.400 3.614 0.064 2 0 "[ . 1 . 2]" 1 205 1 10 VAL MG1 1 32 VAL HB . . 4.630 3.747 3.570 4.013 . 0 0 "[ . 1 . 2]" 1 206 1 10 VAL MG1 1 34 ALA HA . . 4.150 4.298 4.091 4.395 0.245 10 0 "[ . 1 . 2]" 1 207 1 10 VAL MG1 1 35 TYR QD . . 3.800 3.569 3.237 3.870 0.070 17 0 "[ . 1 . 2]" 1 208 1 10 VAL MG1 1 41 ALA HA . . 3.600 2.708 2.447 2.988 . 0 0 "[ . 1 . 2]" 1 209 1 10 VAL MG1 1 45 TRP HB2 . . 4.340 3.426 3.013 3.701 . 0 0 "[ . 1 . 2]" 1 210 1 10 VAL MG1 1 62 ILE HA . . 4.320 2.901 2.540 3.095 . 0 0 "[ . 1 . 2]" 1 211 1 10 VAL MG1 1 62 ILE MD . . 3.890 3.348 2.867 3.671 . 0 0 "[ . 1 . 2]" 1 212 1 10 VAL MG1 1 62 ILE HG12 . . 3.120 2.249 1.928 2.622 . 0 0 "[ . 1 . 2]" 1 213 1 10 VAL MG1 1 62 ILE HG13 . . 4.490 3.699 3.490 4.060 . 0 0 "[ . 1 . 2]" 1 214 1 10 VAL MG1 1 63 ILE H . . 4.500 4.221 3.887 4.457 . 0 0 "[ . 1 . 2]" 1 215 1 10 VAL MG2 1 11 VAL H . . 5.080 4.233 4.114 4.352 . 0 0 "[ . 1 . 2]" 1 216 1 10 VAL MG2 1 32 VAL MG1 . . 2.870 2.405 2.305 2.524 . 0 0 "[ . 1 . 2]" 1 217 1 10 VAL MG2 1 34 ALA HA . . 3.600 2.432 2.218 2.559 . 0 0 "[ . 1 . 2]" 1 218 1 10 VAL MG2 1 34 ALA MB . . 3.610 3.724 3.644 3.842 0.232 20 0 "[ . 1 . 2]" 1 219 1 11 VAL H 1 11 VAL MG1 . . 4.190 2.726 2.320 3.179 . 0 0 "[ . 1 . 2]" 1 220 1 11 VAL H 1 11 VAL QG . . 3.130 2.338 2.215 2.472 . 0 0 "[ . 1 . 2]" 1 221 1 11 VAL H 1 11 VAL MG2 . . 4.190 3.185 2.282 4.056 . 0 0 "[ . 1 . 2]" 1 222 1 11 VAL H 1 61 PHE QB . . 5.340 4.499 4.095 4.903 . 0 0 "[ . 1 . 2]" 1 223 1 11 VAL H 1 62 ILE HA . . 4.480 2.833 2.706 2.950 . 0 0 "[ . 1 . 2]" 1 224 1 11 VAL H 1 62 ILE HG12 . . 5.390 4.842 4.472 5.135 . 0 0 "[ . 1 . 2]" 1 225 1 11 VAL H 1 62 ILE MG . . 4.190 4.350 4.211 4.448 0.258 16 0 "[ . 1 . 2]" 1 226 1 11 VAL HA 1 11 VAL QG . . 3.080 2.378 2.315 2.414 . 0 0 "[ . 1 . 2]" 1 227 1 11 VAL HA 1 12 GLY H . . 2.980 2.309 2.172 2.522 . 0 0 "[ . 1 . 2]" 1 228 1 11 VAL HA 1 31 PHE H . . 5.460 4.892 4.688 5.141 . 0 0 "[ . 1 . 2]" 1 229 1 11 VAL HA 1 32 VAL H . . 3.700 2.121 1.878 2.351 . 0 0 "[ . 1 . 2]" 1 230 1 11 VAL HA 1 32 VAL MG2 . . 4.000 2.798 2.417 3.245 . 0 0 "[ . 1 . 2]" 1 231 1 11 VAL HB 1 12 GLY H . . 3.960 3.339 2.316 4.049 0.089 18 0 "[ . 1 . 2]" 1 232 1 11 VAL HB 1 31 PHE HA . . 5.500 3.343 2.881 4.099 . 0 0 "[ . 1 . 2]" 1 233 1 11 VAL HB 1 31 PHE QD . . 5.500 3.023 2.529 3.766 . 0 0 "[ . 1 . 2]" 1 234 1 11 VAL HB 1 31 PHE QE . . 5.430 4.020 3.492 4.588 . 0 0 "[ . 1 . 2]" 1 235 1 11 VAL HB 1 63 ILE MD . . 3.990 3.964 2.797 4.140 0.150 8 0 "[ . 1 . 2]" 1 236 1 11 VAL QG 1 12 GLY HA2 . . 4.440 3.235 2.874 3.728 . 0 0 "[ . 1 . 2]" 1 237 1 11 VAL QG 1 31 PHE HA . . 3.350 2.634 2.143 3.284 . 0 0 "[ . 1 . 2]" 1 238 1 11 VAL QG 1 31 PHE QB . . 3.640 3.296 2.610 3.689 0.049 13 0 "[ . 1 . 2]" 1 239 1 11 VAL QG 1 31 PHE QD . . 3.300 2.261 1.726 2.885 . 0 0 "[ . 1 . 2]" 1 240 1 11 VAL QG 1 31 PHE QE . . 3.660 2.960 2.622 3.291 . 0 0 "[ . 1 . 2]" 1 241 1 11 VAL QG 1 32 VAL H . . 4.660 3.694 3.486 3.957 . 0 0 "[ . 1 . 2]" 1 242 1 11 VAL QG 1 61 PHE H . . 4.070 3.659 3.081 4.021 . 0 0 "[ . 1 . 2]" 1 243 1 11 VAL QG 1 61 PHE QB . . 3.820 3.332 2.748 3.901 0.081 8 0 "[ . 1 . 2]" 1 244 1 11 VAL QG 1 63 ILE H . . 3.930 3.445 3.000 3.645 . 0 0 "[ . 1 . 2]" 1 245 1 11 VAL QG 1 63 ILE QG . . 4.270 2.255 1.995 3.102 . 0 0 "[ . 1 . 2]" 1 246 1 11 VAL MG1 1 12 GLY H . . 4.030 3.844 3.508 4.059 0.029 10 0 "[ . 1 . 2]" 1 247 1 11 VAL MG2 1 12 GLY H . . 4.030 2.909 2.091 3.832 . 0 0 "[ . 1 . 2]" 1 248 1 12 GLY H 1 13 GLY H . . 4.840 4.175 3.801 4.434 . 0 0 "[ . 1 . 2]" 1 249 1 12 GLY H 1 29 VAL HA . . 5.500 4.956 4.513 5.344 . 0 0 "[ . 1 . 2]" 1 250 1 12 GLY H 1 30 GLU H . . 4.460 4.065 3.439 4.523 0.063 9 0 "[ . 1 . 2]" 1 251 1 12 GLY H 1 30 GLU QB . . 5.090 4.206 3.817 4.866 . 0 0 "[ . 1 . 2]" 1 252 1 12 GLY H 1 31 PHE HA . . 4.680 2.936 2.462 3.391 . 0 0 "[ . 1 . 2]" 1 253 1 12 GLY H 1 32 VAL H . . 4.560 3.304 3.028 3.607 . 0 0 "[ . 1 . 2]" 1 254 1 12 GLY H 1 32 VAL HA . . 5.500 5.565 5.330 5.753 0.253 14 0 "[ . 1 . 2]" 1 255 1 12 GLY H 1 32 VAL MG2 . . 4.310 3.141 2.870 3.426 . 0 0 "[ . 1 . 2]" 1 256 1 12 GLY H 1 60 TYR QD . . 4.700 3.760 3.047 4.774 0.074 19 0 "[ . 1 . 2]" 1 257 1 12 GLY H 1 60 TYR QE . . 5.440 4.518 3.870 4.923 . 0 0 "[ . 1 . 2]" 1 258 1 12 GLY HA2 1 13 GLY H . . 3.250 2.829 2.147 3.222 . 0 0 "[ . 1 . 2]" 1 259 1 12 GLY HA2 1 32 VAL MG2 . . 5.500 4.468 4.016 4.770 . 0 0 "[ . 1 . 2]" 1 260 1 12 GLY HA2 1 59 ARG H . . 5.500 5.231 4.662 5.592 0.092 16 0 "[ . 1 . 2]" 1 261 1 12 GLY HA2 1 60 TYR HA . . 4.010 2.582 2.032 2.881 . 0 0 "[ . 1 . 2]" 1 262 1 12 GLY HA2 1 60 TYR QD . . 4.890 3.999 3.320 4.311 . 0 0 "[ . 1 . 2]" 1 263 1 12 GLY HA2 1 61 PHE H . . 4.110 2.926 2.392 3.290 . 0 0 "[ . 1 . 2]" 1 264 1 12 GLY HA3 1 13 GLY H . . 3.370 2.390 2.133 3.340 . 0 0 "[ . 1 . 2]" 1 265 1 12 GLY HA3 1 32 VAL MG2 . . 5.020 3.410 3.036 3.777 . 0 0 "[ . 1 . 2]" 1 266 1 12 GLY HA3 1 60 TYR HA . . 3.830 1.988 1.677 2.539 . 0 0 "[ . 1 . 2]" 1 267 1 12 GLY HA3 1 60 TYR QD . . 3.760 2.450 1.871 2.972 . 0 0 "[ . 1 . 2]" 1 268 1 12 GLY HA3 1 60 TYR QE . . 4.250 3.706 3.277 4.138 . 0 0 "[ . 1 . 2]" 1 269 1 12 GLY HA3 1 61 PHE H . . 4.510 3.276 2.791 4.400 . 0 0 "[ . 1 . 2]" 1 270 1 13 GLY H 1 14 GLU H . . 4.420 4.438 4.335 4.515 0.095 13 0 "[ . 1 . 2]" 1 271 1 13 GLY H 1 14 GLU HA . . 5.380 4.849 4.645 5.089 . 0 0 "[ . 1 . 2]" 1 272 1 13 GLY H 1 15 LEU QD . . 5.130 3.900 3.373 4.587 . 0 0 "[ . 1 . 2]" 1 273 1 13 GLY H 1 58 ALA MB . . 3.910 3.771 3.268 4.078 0.168 9 0 "[ . 1 . 2]" 1 274 1 13 GLY H 1 59 ARG H . . 3.610 3.524 3.258 3.699 0.089 14 0 "[ . 1 . 2]" 1 275 1 13 GLY H 1 59 ARG HA . . 5.500 5.061 4.698 5.428 . 0 0 "[ . 1 . 2]" 1 276 1 13 GLY H 1 59 ARG QB . . 5.080 4.809 4.281 5.271 0.191 13 0 "[ . 1 . 2]" 1 277 1 13 GLY H 1 60 TYR H . . 5.150 4.751 4.371 5.158 0.008 6 0 "[ . 1 . 2]" 1 278 1 13 GLY H 1 60 TYR HA . . 4.420 3.335 2.944 3.917 . 0 0 "[ . 1 . 2]" 1 279 1 13 GLY H 1 61 PHE H . . 5.320 4.860 4.333 5.292 . 0 0 "[ . 1 . 2]" 1 280 1 13 GLY HA2 1 14 GLU H . . 2.840 2.655 2.214 2.883 0.043 9 0 "[ . 1 . 2]" 1 281 1 13 GLY HA2 1 14 GLU QB . . 5.420 4.682 4.419 4.899 . 0 0 "[ . 1 . 2]" 1 282 1 13 GLY HA2 1 29 VAL QG . . 5.070 4.252 3.128 4.973 . 0 0 "[ . 1 . 2]" 1 283 1 13 GLY HA2 1 58 ALA MB . . 4.590 3.478 3.058 3.955 . 0 0 "[ . 1 . 2]" 1 284 1 13 GLY HA3 1 14 GLU H . . 3.480 2.536 2.277 2.892 . 0 0 "[ . 1 . 2]" 1 285 1 13 GLY HA3 1 15 LEU QD . . 4.990 4.212 3.508 4.859 . 0 0 "[ . 1 . 2]" 1 286 1 13 GLY HA3 1 23 PHE QD . . 5.380 4.372 3.293 5.405 0.025 9 0 "[ . 1 . 2]" 1 287 1 13 GLY HA3 1 29 VAL QG . . 5.290 2.962 2.047 3.631 . 0 0 "[ . 1 . 2]" 1 288 1 13 GLY HA3 1 30 GLU H . . 4.810 2.520 1.684 3.781 . 0 0 "[ . 1 . 2]" 1 289 1 13 GLY HA3 1 58 ALA MB . . 4.990 4.719 4.414 5.038 0.048 4 0 "[ . 1 . 2]" 1 290 1 14 GLU H 1 14 GLU QB . . 2.830 2.384 2.307 2.453 . 0 0 "[ . 1 . 2]" 1 291 1 14 GLU H 1 14 GLU HG2 . . 4.550 3.796 3.421 3.991 . 0 0 "[ . 1 . 2]" 1 292 1 14 GLU H 1 14 GLU HG3 . . 3.730 2.909 2.530 3.332 . 0 0 "[ . 1 . 2]" 1 293 1 14 GLU H 1 15 LEU H . . 4.700 4.440 4.297 4.539 . 0 0 "[ . 1 . 2]" 1 294 1 14 GLU H 1 15 LEU QD . . 5.190 4.200 3.807 4.997 . 0 0 "[ . 1 . 2]" 1 295 1 14 GLU H 1 23 PHE HB3 . . 5.500 5.459 4.895 5.764 0.264 9 0 "[ . 1 . 2]" 1 296 1 14 GLU H 1 58 ALA MB . . 4.630 4.028 3.511 4.694 0.064 11 0 "[ . 1 . 2]" 1 297 1 14 GLU HA 1 14 GLU HG2 . . 4.060 2.359 2.176 2.704 . 0 0 "[ . 1 . 2]" 1 298 1 14 GLU HA 1 14 GLU HG3 . . 4.180 3.059 2.789 3.345 . 0 0 "[ . 1 . 2]" 1 299 1 14 GLU HA 1 15 LEU H . . 2.760 2.058 1.980 2.137 . 0 0 "[ . 1 . 2]" 1 300 1 14 GLU HA 1 58 ALA MB . . 4.080 3.162 2.628 3.804 . 0 0 "[ . 1 . 2]" 1 301 1 14 GLU QB 1 15 LEU H . . 3.750 3.085 2.696 3.525 . 0 0 "[ . 1 . 2]" 1 302 1 14 GLU QB 1 24 ARG H . . 4.820 4.019 3.409 4.578 . 0 0 "[ . 1 . 2]" 1 303 1 14 GLU QB 1 24 ARG HB2 . . 4.690 3.465 2.811 4.428 . 0 0 "[ . 1 . 2]" 1 304 1 14 GLU QB 1 24 ARG QD . . 3.780 2.867 2.259 3.922 0.142 5 0 "[ . 1 . 2]" 1 305 1 14 GLU QB 1 25 ASP H . . 5.310 4.017 3.385 4.536 . 0 0 "[ . 1 . 2]" 1 306 1 14 GLU QB 1 56 ALA MB . . 5.500 4.766 3.923 5.488 . 0 0 "[ . 1 . 2]" 1 307 1 14 GLU HG2 1 15 LEU H . . 4.540 3.934 3.677 4.447 . 0 0 "[ . 1 . 2]" 1 308 1 14 GLU HG2 1 55 ASN HD22 . . 5.440 3.986 1.760 5.525 0.085 13 0 "[ . 1 . 2]" 1 309 1 14 GLU HG2 1 56 ALA MB . . 4.330 4.321 3.475 4.497 0.167 14 0 "[ . 1 . 2]" 1 310 1 14 GLU HG2 1 57 HIS QB . . 5.100 3.508 2.526 4.254 . 0 0 "[ . 1 . 2]" 1 311 1 14 GLU HG2 1 58 ALA H . . 5.210 3.150 2.467 4.505 . 0 0 "[ . 1 . 2]" 1 312 1 14 GLU HG2 1 58 ALA HA . . 4.920 3.068 2.611 4.101 . 0 0 "[ . 1 . 2]" 1 313 1 14 GLU HG2 1 58 ALA MB . . 4.880 2.372 1.860 3.747 . 0 0 "[ . 1 . 2]" 1 314 1 14 GLU HG3 1 15 LEU H . . 4.780 4.902 4.720 4.987 0.207 12 0 "[ . 1 . 2]" 1 315 1 14 GLU HG3 1 55 ASN HD22 . . 5.500 3.631 2.089 5.486 . 0 0 "[ . 1 . 2]" 1 316 1 14 GLU HG3 1 57 HIS QB . . 5.280 4.850 3.955 5.426 0.146 16 0 "[ . 1 . 2]" 1 317 1 14 GLU HG3 1 58 ALA HA . . 5.450 3.823 3.340 4.504 . 0 0 "[ . 1 . 2]" 1 318 1 14 GLU HG3 1 58 ALA MB . . 4.350 2.769 2.265 4.115 . 0 0 "[ . 1 . 2]" 1 319 1 15 LEU H 1 15 LEU QB . . 2.930 2.398 2.311 2.528 . 0 0 "[ . 1 . 2]" 1 320 1 15 LEU H 1 15 LEU MD1 . . 4.050 3.680 2.311 4.190 0.140 4 0 "[ . 1 . 2]" 1 321 1 15 LEU H 1 15 LEU QD . . 3.550 2.568 2.042 3.432 . 0 0 "[ . 1 . 2]" 1 322 1 15 LEU H 1 15 LEU MD2 . . 4.050 2.774 2.064 4.113 0.063 8 0 "[ . 1 . 2]" 1 323 1 15 LEU H 1 15 LEU HG . . 4.310 3.746 2.358 4.357 0.047 8 0 "[ . 1 . 2]" 1 324 1 15 LEU H 1 16 LYS H . . 4.860 4.518 4.424 4.624 . 0 0 "[ . 1 . 2]" 1 325 1 15 LEU H 1 23 PHE QD . . 5.500 5.045 4.246 5.637 0.137 19 0 "[ . 1 . 2]" 1 326 1 15 LEU H 1 24 ARG H . . 5.350 4.209 3.886 4.457 . 0 0 "[ . 1 . 2]" 1 327 1 15 LEU H 1 57 HIS HB2 . . 5.110 2.917 2.384 3.470 . 0 0 "[ . 1 . 2]" 1 328 1 15 LEU H 1 57 HIS QB . . 4.230 2.399 1.866 2.881 . 0 0 "[ . 1 . 2]" 1 329 1 15 LEU H 1 57 HIS HB3 . . 5.110 2.610 1.898 3.266 . 0 0 "[ . 1 . 2]" 1 330 1 15 LEU H 1 58 ALA H . . 5.410 4.526 4.374 4.813 . 0 0 "[ . 1 . 2]" 1 331 1 15 LEU H 1 58 ALA HA . . 4.050 3.328 2.698 3.902 . 0 0 "[ . 1 . 2]" 1 332 1 15 LEU H 1 59 ARG H . . 4.770 3.720 3.084 4.188 . 0 0 "[ . 1 . 2]" 1 333 1 15 LEU HA 1 15 LEU MD1 . . 4.220 2.682 2.078 3.926 . 0 0 "[ . 1 . 2]" 1 334 1 15 LEU HA 1 15 LEU QD . . 2.890 2.158 2.047 2.630 . 0 0 "[ . 1 . 2]" 1 335 1 15 LEU HA 1 15 LEU MD2 . . 4.220 2.895 2.101 3.922 . 0 0 "[ . 1 . 2]" 1 336 1 15 LEU HA 1 16 LYS H . . 2.820 2.450 2.300 2.645 . 0 0 "[ . 1 . 2]" 1 337 1 15 LEU HA 1 16 LYS QB . . 5.340 4.675 4.483 4.804 . 0 0 "[ . 1 . 2]" 1 338 1 15 LEU HA 1 16 LYS QG . . 4.990 3.862 3.685 4.123 . 0 0 "[ . 1 . 2]" 1 339 1 15 LEU HA 1 23 PHE HB3 . . 5.420 4.525 3.995 5.017 . 0 0 "[ . 1 . 2]" 1 340 1 15 LEU QB 1 15 LEU QD . . 2.700 2.074 1.986 2.116 . 0 0 "[ . 1 . 2]" 1 341 1 15 LEU QB 1 16 LYS H . . 3.190 2.432 2.152 2.763 . 0 0 "[ . 1 . 2]" 1 342 1 15 LEU QB 1 17 ASP H . . 4.320 2.536 1.991 3.099 . 0 0 "[ . 1 . 2]" 1 343 1 15 LEU QB 1 18 VAL H . . 5.490 5.082 4.401 5.580 0.090 2 0 "[ . 1 . 2]" 1 344 1 15 LEU QB 1 18 VAL HA . . 5.500 4.135 3.373 4.682 . 0 0 "[ . 1 . 2]" 1 345 1 15 LEU QB 1 21 VAL HA . . 5.500 3.704 3.134 4.378 . 0 0 "[ . 1 . 2]" 1 346 1 15 LEU QB 1 22 GLU H . . 3.520 3.383 2.658 3.736 0.216 8 0 "[ . 1 . 2]" 1 347 1 15 LEU QB 1 23 PHE HA . . 5.430 4.040 3.620 4.443 . 0 0 "[ . 1 . 2]" 1 348 1 15 LEU QB 1 57 HIS HA . . 5.500 4.255 3.940 4.717 . 0 0 "[ . 1 . 2]" 1 349 1 15 LEU QB 1 58 ALA H . . 5.500 5.660 5.499 5.810 0.310 20 0 "[ . 1 . 2]" 1 350 1 15 LEU QB 1 58 ALA HA . . 5.500 4.869 4.467 5.170 . 0 0 "[ . 1 . 2]" 1 351 1 15 LEU QD 1 16 LYS H . . 3.620 3.445 3.280 3.820 0.200 5 0 "[ . 1 . 2]" 1 352 1 15 LEU QD 1 21 VAL H . . 5.400 4.134 3.587 4.524 . 0 0 "[ . 1 . 2]" 1 353 1 15 LEU QD 1 21 VAL HA . . 3.180 2.061 1.699 2.503 . 0 0 "[ . 1 . 2]" 1 354 1 15 LEU QD 1 21 VAL HB . . 4.390 4.192 3.730 4.403 0.013 7 0 "[ . 1 . 2]" 1 355 1 15 LEU QD 1 21 VAL QG . . 2.720 2.628 2.307 3.015 0.295 17 0 "[ . 1 . 2]" 1 356 1 15 LEU QD 1 22 GLU H . . 3.780 2.706 1.924 3.706 . 0 0 "[ . 1 . 2]" 1 357 1 15 LEU QD 1 22 GLU HA . . 4.800 3.741 3.284 4.559 . 0 0 "[ . 1 . 2]" 1 358 1 15 LEU QD 1 23 PHE H . . 4.170 3.349 2.849 4.199 0.029 5 0 "[ . 1 . 2]" 1 359 1 15 LEU QD 1 23 PHE HA . . 3.330 2.183 1.846 2.726 . 0 0 "[ . 1 . 2]" 1 360 1 15 LEU QD 1 23 PHE HB2 . . 4.460 4.315 3.837 4.687 0.227 8 0 "[ . 1 . 2]" 1 361 1 15 LEU QD 1 23 PHE HB3 . . 4.190 3.854 3.603 4.157 . 0 0 "[ . 1 . 2]" 1 362 1 15 LEU QD 1 23 PHE QD . . 3.140 2.062 1.796 2.438 . 0 0 "[ . 1 . 2]" 1 363 1 15 LEU QD 1 24 ARG H . . 4.030 3.376 3.061 3.747 . 0 0 "[ . 1 . 2]" 1 364 1 15 LEU QD 1 24 ARG HB3 . . 5.440 4.941 4.738 5.240 . 0 0 "[ . 1 . 2]" 1 365 1 15 LEU QD 1 25 ASP H . . 5.440 5.065 4.865 5.441 0.001 2 0 "[ . 1 . 2]" 1 366 1 15 LEU QD 1 58 ALA HA . . 4.140 3.497 2.835 4.310 0.170 4 0 "[ . 1 . 2]" 1 367 1 15 LEU QD 1 59 ARG H . . 4.570 2.467 1.926 3.485 . 0 0 "[ . 1 . 2]" 1 368 1 15 LEU QD 1 59 ARG QB . . 3.760 1.964 1.745 2.244 . 0 0 "[ . 1 . 2]" 1 369 1 15 LEU QD 1 59 ARG QD . . 3.900 3.487 2.091 4.159 0.259 10 0 "[ . 1 . 2]" 1 370 1 15 LEU QD 1 60 TYR H . . 5.440 5.010 4.582 5.480 0.040 19 0 "[ . 1 . 2]" 1 371 1 15 LEU MD1 1 16 LYS H . . 4.800 3.778 3.345 4.618 . 0 0 "[ . 1 . 2]" 1 372 1 15 LEU MD1 1 21 VAL HA . . 4.120 2.326 1.705 4.146 0.026 5 0 "[ . 1 . 2]" 1 373 1 15 LEU MD1 1 22 GLU H . . 5.250 3.008 1.926 5.142 . 0 0 "[ . 1 . 2]" 1 374 1 15 LEU MD1 1 23 PHE H . . 5.500 3.900 2.863 5.540 0.040 18 0 "[ . 1 . 2]" 1 375 1 15 LEU MD1 1 23 PHE QD . . 3.720 2.738 1.843 4.102 0.382 18 0 "[ . 1 . 2]" 1 376 1 15 LEU MD1 1 59 ARG QB . . 4.520 3.211 1.937 4.458 . 0 0 "[ . 1 . 2]" 1 377 1 15 LEU MD2 1 16 LYS H . . 4.800 4.423 3.463 4.836 0.036 12 0 "[ . 1 . 2]" 1 378 1 15 LEU MD2 1 21 VAL HA . . 4.120 3.512 1.805 4.165 0.045 11 0 "[ . 1 . 2]" 1 379 1 15 LEU MD2 1 22 GLU H . . 5.250 4.500 2.158 5.317 0.067 6 0 "[ . 1 . 2]" 1 380 1 15 LEU MD2 1 23 PHE H . . 5.500 4.873 3.105 5.635 0.135 6 0 "[ . 1 . 2]" 1 381 1 15 LEU MD2 1 23 PHE QD . . 3.720 2.866 1.799 3.854 0.134 8 0 "[ . 1 . 2]" 1 382 1 15 LEU MD2 1 59 ARG QB . . 4.520 2.400 1.853 3.816 . 0 0 "[ . 1 . 2]" 1 383 1 16 LYS H 1 16 LYS HB2 . . 3.710 2.540 2.341 3.665 . 0 0 "[ . 1 . 2]" 1 384 1 16 LYS H 1 16 LYS QB . . 3.190 2.474 2.313 3.097 . 0 0 "[ . 1 . 2]" 1 385 1 16 LYS H 1 16 LYS HB3 . . 3.710 3.623 3.341 3.683 . 0 0 "[ . 1 . 2]" 1 386 1 16 LYS H 1 16 LYS QD . . 4.930 4.075 3.775 4.580 . 0 0 "[ . 1 . 2]" 1 387 1 16 LYS H 1 16 LYS QE . . 5.330 4.389 3.499 5.274 . 0 0 "[ . 1 . 2]" 1 388 1 16 LYS H 1 16 LYS QG . . 3.260 2.400 2.030 2.828 . 0 0 "[ . 1 . 2]" 1 389 1 16 LYS H 1 17 ASP H . . 3.710 2.465 2.287 2.701 . 0 0 "[ . 1 . 2]" 1 390 1 16 LYS H 1 17 ASP QB . . 5.250 4.449 3.790 4.779 . 0 0 "[ . 1 . 2]" 1 391 1 16 LYS H 1 22 GLU H . . 5.430 3.803 3.046 4.383 . 0 0 "[ . 1 . 2]" 1 392 1 16 LYS H 1 23 PHE QD . . 5.500 5.614 5.404 5.796 0.296 1 0 "[ . 1 . 2]" 1 393 1 16 LYS H 1 24 ARG HA . . 4.430 3.938 3.457 4.333 . 0 0 "[ . 1 . 2]" 1 394 1 16 LYS H 1 24 ARG HB2 . . 4.200 3.536 3.065 3.905 . 0 0 "[ . 1 . 2]" 1 395 1 16 LYS H 1 24 ARG QD . . 5.340 5.267 4.716 5.540 0.200 20 0 "[ . 1 . 2]" 1 396 1 16 LYS HA 1 16 LYS QG . . 3.600 2.501 2.376 3.321 . 0 0 "[ . 1 . 2]" 1 397 1 16 LYS HA 1 24 ARG H . . 5.130 4.507 3.820 4.982 . 0 0 "[ . 1 . 2]" 1 398 1 16 LYS HA 1 24 ARG HB2 . . 4.690 2.813 2.006 3.255 . 0 0 "[ . 1 . 2]" 1 399 1 16 LYS HA 1 24 ARG HB3 . . 4.750 4.488 3.555 4.885 0.135 1 0 "[ . 1 . 2]" 1 400 1 16 LYS HA 1 24 ARG QD . . 4.890 3.480 2.647 4.018 . 0 0 "[ . 1 . 2]" 1 401 1 16 LYS HA 1 24 ARG QG . . 4.290 3.425 2.720 3.961 . 0 0 "[ . 1 . 2]" 1 402 1 16 LYS QB 1 16 LYS QE . . 4.190 3.363 2.075 3.710 . 0 0 "[ . 1 . 2]" 1 403 1 16 LYS QB 1 17 ASP H . . 4.390 2.791 2.190 3.993 . 0 0 "[ . 1 . 2]" 1 404 1 16 LYS QB 1 17 ASP HA . . 5.340 4.312 3.879 4.747 . 0 0 "[ . 1 . 2]" 1 405 1 16 LYS QB 1 17 ASP QB . . 4.340 3.428 3.102 4.232 . 0 0 "[ . 1 . 2]" 1 406 1 16 LYS QB 1 24 ARG HA . . 4.310 4.047 3.017 4.483 0.173 18 0 "[ . 1 . 2]" 1 407 1 16 LYS HB2 1 16 LYS QE . . 4.910 3.713 2.114 4.248 . 0 0 "[ . 1 . 2]" 1 408 1 16 LYS HB2 1 24 ARG HA . . 4.960 4.605 4.196 5.029 0.069 18 0 "[ . 1 . 2]" 1 409 1 16 LYS HB3 1 16 LYS QE . . 4.910 3.926 2.996 4.272 . 0 0 "[ . 1 . 2]" 1 410 1 16 LYS HB3 1 24 ARG HA . . 4.960 4.533 3.070 5.035 0.075 18 0 "[ . 1 . 2]" 1 411 1 16 LYS QD 1 22 GLU QG . . 5.110 3.666 2.013 5.212 0.102 16 0 "[ . 1 . 2]" 1 412 1 16 LYS QE 1 16 LYS QG . . 2.940 2.284 2.163 2.498 . 0 0 "[ . 1 . 2]" 1 413 1 16 LYS QE 1 22 GLU HG2 . . 5.500 4.441 3.457 5.349 . 0 0 "[ . 1 . 2]" 1 414 1 16 LYS QE 1 22 GLU HG3 . . 5.500 4.456 3.250 5.511 0.011 4 0 "[ . 1 . 2]" 1 415 1 16 LYS QE 1 24 ARG H . . 4.890 4.785 4.293 5.183 0.293 15 0 "[ . 1 . 2]" 1 416 1 16 LYS QE 1 24 ARG HA . . 3.630 3.174 2.447 3.863 0.233 12 0 "[ . 1 . 2]" 1 417 1 16 LYS QE 2 5 GLN HE22 . . 5.130 4.122 3.299 5.267 0.137 15 0 "[ . 1 . 2]" 1 418 1 16 LYS QG 1 24 ARG H . . 4.530 3.389 2.805 3.597 . 0 0 "[ . 1 . 2]" 1 419 1 16 LYS QG 1 24 ARG HA . . 3.640 2.051 1.719 2.451 . 0 0 "[ . 1 . 2]" 1 420 1 16 LYS QG 1 24 ARG HB3 . . 4.810 4.199 3.788 4.627 . 0 0 "[ . 1 . 2]" 1 421 1 16 LYS QG 1 24 ARG QD . . 4.710 4.276 3.212 4.837 0.127 13 0 "[ . 1 . 2]" 1 422 1 16 LYS QG 1 24 ARG QG . . 3.420 2.995 2.070 3.514 0.094 13 0 "[ . 1 . 2]" 1 423 1 16 LYS HG2 1 17 ASP H . . 5.500 5.011 4.310 5.384 . 0 0 "[ . 1 . 2]" 1 424 1 16 LYS HG2 1 24 ARG HA . . 4.170 2.332 1.912 2.820 . 0 0 "[ . 1 . 2]" 1 425 1 16 LYS HG2 1 24 ARG HB3 . . 5.500 4.684 4.106 5.269 . 0 0 "[ . 1 . 2]" 1 426 1 16 LYS HG3 1 17 ASP H . . 5.500 4.358 3.837 4.897 . 0 0 "[ . 1 . 2]" 1 427 1 16 LYS HG3 1 24 ARG HA . . 4.170 2.462 1.741 3.937 . 0 0 "[ . 1 . 2]" 1 428 1 16 LYS HG3 1 24 ARG HB3 . . 5.500 4.817 4.118 5.728 0.228 3 0 "[ . 1 . 2]" 1 429 1 17 ASP H 1 17 ASP HB2 . . 4.200 3.096 2.703 3.543 . 0 0 "[ . 1 . 2]" 1 430 1 17 ASP H 1 17 ASP QB . . 3.680 2.593 2.305 2.825 . 0 0 "[ . 1 . 2]" 1 431 1 17 ASP H 1 17 ASP HB3 . . 4.200 2.825 2.495 3.866 . 0 0 "[ . 1 . 2]" 1 432 1 17 ASP H 1 18 VAL H . . 5.500 4.437 4.296 4.562 . 0 0 "[ . 1 . 2]" 1 433 1 17 ASP HA 1 18 VAL H . . 2.990 2.410 2.207 2.711 . 0 0 "[ . 1 . 2]" 1 434 1 17 ASP HA 1 18 VAL MG2 . . 4.360 3.986 3.689 4.137 . 0 0 "[ . 1 . 2]" 1 435 1 17 ASP QB 1 18 VAL H . . 4.000 3.336 3.016 3.514 . 0 0 "[ . 1 . 2]" 1 436 1 17 ASP QB 1 19 ALA H . . 4.640 3.552 2.570 3.735 . 0 0 "[ . 1 . 2]" 1 437 1 17 ASP QB 1 20 GLY H . . 4.800 2.330 2.067 2.923 . 0 0 "[ . 1 . 2]" 1 438 1 17 ASP QB 1 20 GLY QA . . 5.180 2.080 1.768 2.664 . 0 0 "[ . 1 . 2]" 1 439 1 17 ASP HB2 1 18 VAL H . . 4.560 3.948 3.772 4.098 . 0 0 "[ . 1 . 2]" 1 440 1 17 ASP HB3 1 18 VAL H . . 4.560 3.615 3.104 3.894 . 0 0 "[ . 1 . 2]" 1 441 1 18 VAL H 1 18 VAL HB . . 3.950 3.637 3.600 3.693 . 0 0 "[ . 1 . 2]" 1 442 1 18 VAL H 1 18 VAL MG1 . . 3.630 2.408 2.202 2.771 . 0 0 "[ . 1 . 2]" 1 443 1 18 VAL H 1 18 VAL MG2 . . 3.180 1.973 1.923 2.065 . 0 0 "[ . 1 . 2]" 1 444 1 18 VAL H 1 19 ALA H . . 3.670 2.671 2.262 2.853 . 0 0 "[ . 1 . 2]" 1 445 1 18 VAL HA 1 18 VAL MG1 . . 3.040 2.330 2.304 2.360 . 0 0 "[ . 1 . 2]" 1 446 1 18 VAL HA 1 18 VAL MG2 . . 3.470 3.268 3.255 3.278 . 0 0 "[ . 1 . 2]" 1 447 1 18 VAL HB 1 19 ALA H . . 3.550 3.602 3.518 3.790 0.240 20 0 "[ . 1 . 2]" 1 448 1 18 VAL HB 1 19 ALA MB . . 4.710 4.296 3.938 4.549 . 0 0 "[ . 1 . 2]" 1 449 1 18 VAL HB 1 20 GLY H . . 5.300 5.385 5.208 5.519 0.219 14 0 "[ . 1 . 2]" 1 450 1 18 VAL MG1 1 19 ALA H . . 4.030 4.026 3.976 4.069 0.039 20 0 "[ . 1 . 2]" 1 451 1 18 VAL MG2 1 19 ALA H . . 3.460 2.020 1.913 2.272 . 0 0 "[ . 1 . 2]" 1 452 1 18 VAL MG2 1 20 GLY H . . 4.250 3.830 3.439 4.354 0.104 20 0 "[ . 1 . 2]" 1 453 1 19 ALA H 1 19 ALA MB . . 2.750 2.333 2.278 2.449 . 0 0 "[ . 1 . 2]" 1 454 1 19 ALA H 1 20 GLY H . . 3.240 2.185 1.868 2.611 . 0 0 "[ . 1 . 2]" 1 455 1 19 ALA MB 1 20 GLY H . . 3.700 2.994 2.600 3.586 . 0 0 "[ . 1 . 2]" 1 456 1 19 ALA MB 1 20 GLY HA2 . . 5.000 4.011 3.839 4.336 . 0 0 "[ . 1 . 2]" 1 457 1 19 ALA MB 1 20 GLY QA . . 4.270 3.717 3.573 3.954 . 0 0 "[ . 1 . 2]" 1 458 1 19 ALA MB 1 20 GLY HA3 . . 5.000 4.401 4.172 4.691 . 0 0 "[ . 1 . 2]" 1 459 1 20 GLY QA 1 21 VAL H . . 2.650 2.175 2.118 2.290 . 0 0 "[ . 1 . 2]" 1 460 1 20 GLY QA 1 21 VAL QG . . 4.300 3.513 3.088 3.870 . 0 0 "[ . 1 . 2]" 1 461 1 20 GLY QA 1 22 GLU H . . 5.150 3.420 3.088 3.898 . 0 0 "[ . 1 . 2]" 1 462 1 20 GLY HA2 1 21 VAL H . . 3.410 2.230 2.148 2.530 . 0 0 "[ . 1 . 2]" 1 463 1 20 GLY HA3 1 21 VAL H . . 3.410 3.186 2.614 3.461 0.051 12 0 "[ . 1 . 2]" 1 464 1 21 VAL H 1 21 VAL HB . . 3.200 2.702 2.470 3.189 . 0 0 "[ . 1 . 2]" 1 465 1 21 VAL H 1 21 VAL MG1 . . 3.960 3.217 2.070 3.889 . 0 0 "[ . 1 . 2]" 1 466 1 21 VAL H 1 21 VAL QG . . 3.070 2.186 1.970 2.486 . 0 0 "[ . 1 . 2]" 1 467 1 21 VAL H 1 21 VAL MG2 . . 3.960 2.856 1.976 4.058 0.098 9 0 "[ . 1 . 2]" 1 468 1 21 VAL H 1 22 GLU H . . 3.460 3.021 1.759 3.683 0.223 13 0 "[ . 1 . 2]" 1 469 1 21 VAL H 1 22 GLU QG . . 5.340 4.160 3.312 5.233 . 0 0 "[ . 1 . 2]" 1 470 1 21 VAL HA 1 21 VAL MG1 . . 3.220 2.753 2.332 3.275 0.055 2 0 "[ . 1 . 2]" 1 471 1 21 VAL HA 1 21 VAL MG2 . . 3.220 2.444 2.284 2.631 . 0 0 "[ . 1 . 2]" 1 472 1 21 VAL HA 1 22 GLU H . . 2.980 2.781 2.302 3.188 0.208 9 0 "[ . 1 . 2]" 1 473 1 21 VAL HA 2 68 LEU QD . . 5.300 4.393 3.332 4.846 . 0 0 "[ . 1 . 2]" 1 474 1 21 VAL HB 2 68 LEU QD . . 4.340 4.181 3.666 4.477 0.137 4 0 "[ . 1 . 2]" 1 475 1 21 VAL QG 2 68 LEU QB . . 4.140 3.011 2.617 3.824 . 0 0 "[ . 1 . 2]" 1 476 1 21 VAL QG 2 68 LEU QD . . 2.720 1.966 1.717 2.157 . 0 0 "[ . 1 . 2]" 1 477 1 21 VAL MG1 1 22 GLU H . . 4.380 3.872 3.209 4.344 . 0 0 "[ . 1 . 2]" 1 478 1 21 VAL MG1 2 68 LEU HG . . 4.960 3.605 2.112 5.025 0.065 3 0 "[ . 1 . 2]" 1 479 1 21 VAL MG2 1 22 GLU H . . 4.380 4.315 4.191 4.391 0.011 12 0 "[ . 1 . 2]" 1 480 1 21 VAL MG2 2 68 LEU HG . . 4.960 3.852 2.351 5.087 0.127 12 0 "[ . 1 . 2]" 1 481 1 22 GLU H 1 22 GLU QB . . 3.640 2.629 2.319 3.262 . 0 0 "[ . 1 . 2]" 1 482 1 22 GLU H 1 22 GLU HG2 . . 4.880 3.449 2.137 4.413 . 0 0 "[ . 1 . 2]" 1 483 1 22 GLU H 1 22 GLU QG . . 4.230 2.974 2.123 3.613 . 0 0 "[ . 1 . 2]" 1 484 1 22 GLU H 1 22 GLU HG3 . . 4.880 3.611 2.730 3.946 . 0 0 "[ . 1 . 2]" 1 485 1 22 GLU H 1 23 PHE H . . 4.540 4.214 3.944 4.562 0.022 15 0 "[ . 1 . 2]" 1 486 1 22 GLU HA 1 22 GLU QG . . 3.660 2.868 2.337 3.586 . 0 0 "[ . 1 . 2]" 1 487 1 22 GLU HA 1 23 PHE H . . 2.700 2.222 2.157 2.325 . 0 0 "[ . 1 . 2]" 1 488 1 22 GLU HA 1 23 PHE HB2 . . 5.250 4.679 4.534 4.898 . 0 0 "[ . 1 . 2]" 1 489 1 22 GLU HA 2 5 GLN HE21 . . 5.500 4.569 3.144 5.653 0.153 15 0 "[ . 1 . 2]" 1 490 1 22 GLU HA 2 5 GLN HE22 . . 5.240 3.145 1.979 4.308 . 0 0 "[ . 1 . 2]" 1 491 1 22 GLU QB 1 23 PHE H . . 3.730 3.454 2.936 3.821 0.091 3 0 "[ . 1 . 2]" 1 492 1 22 GLU QB 2 5 GLN HE21 . . 4.950 4.290 3.217 5.038 0.088 11 0 "[ . 1 . 2]" 1 493 1 22 GLU QB 2 5 GLN HE22 . . 4.080 3.447 2.158 4.145 0.065 10 0 "[ . 1 . 2]" 1 494 1 22 GLU HB2 1 23 PHE H . . 4.520 4.170 3.009 4.568 0.048 19 0 "[ . 1 . 2]" 1 495 1 22 GLU HB3 1 23 PHE H . . 4.520 3.821 3.012 4.409 . 0 0 "[ . 1 . 2]" 1 496 1 22 GLU QG 1 23 PHE H . . 4.850 4.476 3.780 5.017 0.167 3 0 "[ . 1 . 2]" 1 497 1 23 PHE H 1 23 PHE HB2 . . 3.110 2.559 2.460 2.708 . 0 0 "[ . 1 . 2]" 1 498 1 23 PHE H 1 23 PHE HB3 . . 3.710 3.622 3.569 3.676 . 0 0 "[ . 1 . 2]" 1 499 1 23 PHE H 1 23 PHE QD . . 3.480 3.053 2.665 3.198 . 0 0 "[ . 1 . 2]" 1 500 1 23 PHE H 1 24 ARG H . . 4.720 4.473 4.268 4.627 . 0 0 "[ . 1 . 2]" 1 501 1 23 PHE H 1 26 LEU QD . . 4.410 4.004 3.667 4.349 . 0 0 "[ . 1 . 2]" 1 502 1 23 PHE H 2 5 GLN HE21 . . 4.490 3.425 2.251 4.431 . 0 0 "[ . 1 . 2]" 1 503 1 23 PHE H 2 5 GLN HE22 . . 3.970 2.258 1.655 3.035 . 0 0 "[ . 1 . 2]" 1 504 1 23 PHE HA 1 23 PHE QD . . 3.530 2.310 2.143 2.624 . 0 0 "[ . 1 . 2]" 1 505 1 23 PHE HA 1 24 ARG H . . 2.890 2.148 2.091 2.205 . 0 0 "[ . 1 . 2]" 1 506 1 23 PHE HB2 1 24 ARG H . . 4.620 4.279 4.023 4.463 . 0 0 "[ . 1 . 2]" 1 507 1 23 PHE HB2 1 26 LEU HA . . 5.130 4.183 3.624 4.630 . 0 0 "[ . 1 . 2]" 1 508 1 23 PHE HB2 1 26 LEU QD . . 3.220 2.253 2.090 2.430 . 0 0 "[ . 1 . 2]" 1 509 1 23 PHE HB2 1 26 LEU HG . . 5.000 4.646 3.753 5.014 0.014 9 0 "[ . 1 . 2]" 1 510 1 23 PHE HB3 1 24 ARG H . . 3.910 3.463 2.934 3.890 . 0 0 "[ . 1 . 2]" 1 511 1 23 PHE HB3 1 25 ASP H . . 3.730 3.314 2.913 3.805 0.075 5 0 "[ . 1 . 2]" 1 512 1 23 PHE HB3 1 26 LEU H . . 5.290 4.828 4.449 5.350 0.060 5 0 "[ . 1 . 2]" 1 513 1 23 PHE HB3 1 26 LEU QD . . 3.590 2.634 2.223 3.108 . 0 0 "[ . 1 . 2]" 1 514 1 23 PHE HB3 1 26 LEU HG . . 5.500 5.324 4.248 5.762 0.262 9 0 "[ . 1 . 2]" 1 515 1 23 PHE HB3 2 5 GLN HE22 . . 5.140 4.391 3.649 5.184 0.044 12 0 "[ . 1 . 2]" 1 516 1 23 PHE QD 1 24 ARG H . . 4.380 3.972 3.674 4.377 . 0 0 "[ . 1 . 2]" 1 517 1 23 PHE QD 1 26 LEU QD . . 3.470 2.423 1.907 3.148 . 0 0 "[ . 1 . 2]" 1 518 1 23 PHE QD 2 7 LEU QD . . 4.550 3.465 2.360 4.613 0.063 3 0 "[ . 1 . 2]" 1 519 1 24 ARG H 1 24 ARG HB2 . . 2.970 2.489 2.340 2.637 . 0 0 "[ . 1 . 2]" 1 520 1 24 ARG H 1 24 ARG HB3 . . 3.680 2.532 2.384 2.706 . 0 0 "[ . 1 . 2]" 1 521 1 24 ARG H 1 24 ARG QD . . 4.770 4.459 4.361 4.682 . 0 0 "[ . 1 . 2]" 1 522 1 24 ARG H 1 24 ARG QG . . 4.510 3.994 3.956 4.013 . 0 0 "[ . 1 . 2]" 1 523 1 24 ARG H 1 25 ASP H . . 3.220 2.755 2.585 3.063 . 0 0 "[ . 1 . 2]" 1 524 1 24 ARG H 1 26 LEU QD . . 5.290 4.847 4.385 5.309 0.019 1 0 "[ . 1 . 2]" 1 525 1 24 ARG HA 1 24 ARG QD . . 4.470 4.109 4.030 4.366 . 0 0 "[ . 1 . 2]" 1 526 1 24 ARG HA 1 24 ARG QG . . 3.480 2.541 2.423 2.677 . 0 0 "[ . 1 . 2]" 1 527 1 24 ARG HB2 1 24 ARG QD . . 3.000 2.464 2.353 2.787 . 0 0 "[ . 1 . 2]" 1 528 1 24 ARG HB2 1 25 ASP H . . 4.040 3.819 3.685 3.989 . 0 0 "[ . 1 . 2]" 1 529 1 24 ARG HB3 1 24 ARG QD . . 3.540 2.516 2.346 2.891 . 0 0 "[ . 1 . 2]" 1 530 1 24 ARG HB3 1 25 ASP H . . 3.210 2.529 2.321 2.761 . 0 0 "[ . 1 . 2]" 1 531 1 24 ARG HB3 1 25 ASP HB2 . . 4.900 4.073 3.511 4.466 . 0 0 "[ . 1 . 2]" 1 532 1 24 ARG QG 1 25 ASP H . . 4.330 3.587 3.231 3.915 . 0 0 "[ . 1 . 2]" 1 533 1 24 ARG QG 1 25 ASP HB2 . . 4.700 3.239 2.425 4.025 . 0 0 "[ . 1 . 2]" 1 534 1 24 ARG HG2 1 25 ASP H . . 5.090 3.725 3.320 4.112 . 0 0 "[ . 1 . 2]" 1 535 1 24 ARG HG2 1 25 ASP HB2 . . 5.500 3.290 2.440 4.118 . 0 0 "[ . 1 . 2]" 1 536 1 24 ARG HG3 1 25 ASP H . . 5.090 4.695 4.408 4.917 . 0 0 "[ . 1 . 2]" 1 537 1 24 ARG HG3 1 25 ASP HB2 . . 5.500 4.882 4.158 5.674 0.174 5 0 "[ . 1 . 2]" 1 538 1 25 ASP H 1 25 ASP HB2 . . 3.470 3.223 2.588 3.487 0.017 20 0 "[ . 1 . 2]" 1 539 1 25 ASP H 1 25 ASP HB3 . . 3.610 3.130 2.780 3.800 0.190 7 0 "[ . 1 . 2]" 1 540 1 25 ASP H 1 26 LEU H . . 4.080 4.119 3.899 4.236 0.156 11 0 "[ . 1 . 2]" 1 541 1 25 ASP H 1 26 LEU QD . . 4.830 3.869 3.502 4.565 . 0 0 "[ . 1 . 2]" 1 542 1 25 ASP H 1 28 LYS H . . 5.220 4.449 3.872 4.996 . 0 0 "[ . 1 . 2]" 1 543 1 25 ASP HA 1 26 LEU H . . 2.770 2.158 2.087 2.271 . 0 0 "[ . 1 . 2]" 1 544 1 25 ASP HA 1 26 LEU HB2 . . 5.040 4.479 4.309 4.796 . 0 0 "[ . 1 . 2]" 1 545 1 25 ASP HA 1 26 LEU HG . . 5.500 5.113 3.139 5.666 0.166 6 0 "[ . 1 . 2]" 1 546 1 25 ASP HB2 1 26 LEU H . . 4.930 4.237 3.969 4.506 . 0 0 "[ . 1 . 2]" 1 547 1 25 ASP HB2 1 27 SER H . . 5.010 4.590 3.894 5.021 0.011 11 0 "[ . 1 . 2]" 1 548 1 25 ASP HB2 1 28 LYS H . . 4.670 4.267 2.958 4.684 0.014 18 0 "[ . 1 . 2]" 1 549 1 25 ASP HB2 1 28 LYS HB2 . . 4.640 3.585 1.981 4.498 . 0 0 "[ . 1 . 2]" 1 550 1 25 ASP HB3 1 26 LEU H . . 5.370 3.961 3.215 4.359 . 0 0 "[ . 1 . 2]" 1 551 1 25 ASP HB3 1 27 SER H . . 4.770 3.642 2.478 4.301 . 0 0 "[ . 1 . 2]" 1 552 1 25 ASP HB3 1 28 LYS H . . 4.140 2.953 2.294 3.366 . 0 0 "[ . 1 . 2]" 1 553 1 25 ASP HB3 1 28 LYS HB2 . . 4.360 2.429 1.780 3.515 . 0 0 "[ . 1 . 2]" 1 554 1 25 ASP HB3 1 28 LYS HB3 . . 4.970 3.964 3.404 4.984 0.014 2 0 "[ . 1 . 2]" 1 555 1 25 ASP HB3 1 28 LYS HD2 . . 5.500 4.314 2.143 5.637 0.137 10 0 "[ . 1 . 2]" 1 556 1 25 ASP HB3 1 28 LYS QD . . 4.660 3.822 2.131 4.700 0.040 2 0 "[ . 1 . 2]" 1 557 1 25 ASP HB3 1 28 LYS HD3 . . 5.500 4.564 3.505 5.555 0.055 2 0 "[ . 1 . 2]" 1 558 1 25 ASP HB3 1 28 LYS QG . . 4.520 2.539 1.794 3.731 . 0 0 "[ . 1 . 2]" 1 559 1 25 ASP HB3 1 29 VAL QG . . 5.440 4.894 4.586 5.540 0.100 19 0 "[ . 1 . 2]" 1 560 1 26 LEU H 1 26 LEU HB2 . . 3.780 2.383 2.262 2.546 . 0 0 "[ . 1 . 2]" 1 561 1 26 LEU H 1 26 LEU HB3 . . 3.800 3.559 3.508 3.635 . 0 0 "[ . 1 . 2]" 1 562 1 26 LEU H 1 26 LEU MD1 . . 4.180 3.481 2.918 3.800 . 0 0 "[ . 1 . 2]" 1 563 1 26 LEU H 1 26 LEU QD . . 3.580 2.188 1.714 3.186 . 0 0 "[ . 1 . 2]" 1 564 1 26 LEU H 1 26 LEU MD2 . . 4.180 2.283 1.726 3.695 . 0 0 "[ . 1 . 2]" 1 565 1 26 LEU H 1 26 LEU HG . . 3.210 3.525 2.029 3.964 0.754 16 14 "[ * .*-*** * **+****]" 1 566 1 26 LEU H 1 27 SER H . . 3.330 2.575 2.272 2.764 . 0 0 "[ . 1 . 2]" 1 567 1 26 LEU H 1 28 LYS H . . 4.710 3.946 3.346 4.388 . 0 0 "[ . 1 . 2]" 1 568 1 26 LEU HA 1 26 LEU QD . . 2.830 2.072 1.926 2.314 . 0 0 "[ . 1 . 2]" 1 569 1 26 LEU HA 1 26 LEU HG . . 4.060 3.607 2.984 3.792 . 0 0 "[ . 1 . 2]" 1 570 1 26 LEU HA 1 28 LYS H . . 4.540 3.776 3.049 4.088 . 0 0 "[ . 1 . 2]" 1 571 1 26 LEU HA 1 29 VAL QG . . 3.640 1.985 1.768 2.749 . 0 0 "[ . 1 . 2]" 1 572 1 26 LEU HA 2 7 LEU QD . . 5.440 4.771 4.411 5.147 . 0 0 "[ . 1 . 2]" 1 573 1 26 LEU HA 2 34 ALA MB . . 4.310 3.194 2.801 3.700 . 0 0 "[ . 1 . 2]" 1 574 1 26 LEU HB2 1 27 SER H . . 3.550 3.294 2.689 3.670 0.120 8 0 "[ . 1 . 2]" 1 575 1 26 LEU HB2 2 34 ALA MB . . 4.030 3.658 3.247 4.046 0.016 4 0 "[ . 1 . 2]" 1 576 1 26 LEU HB2 2 35 TYR H . . 5.500 4.855 4.020 5.570 0.070 2 0 "[ . 1 . 2]" 1 577 1 26 LEU HB3 1 27 SER H . . 4.550 4.089 3.781 4.297 . 0 0 "[ . 1 . 2]" 1 578 1 26 LEU HB3 1 29 VAL QG . . 4.720 3.423 2.976 3.941 . 0 0 "[ . 1 . 2]" 1 579 1 26 LEU QD 1 27 SER H . . 4.750 3.961 3.757 4.308 . 0 0 "[ . 1 . 2]" 1 580 1 26 LEU QD 1 29 VAL H . . 5.440 4.644 4.313 5.067 . 0 0 "[ . 1 . 2]" 1 581 1 26 LEU QD 2 5 GLN HE21 . . 3.690 2.539 1.498 3.731 0.041 2 0 "[ . 1 . 2]" 1 582 1 26 LEU QD 2 5 GLN HE22 . . 3.730 3.308 2.483 3.892 0.162 14 0 "[ . 1 . 2]" 1 583 1 26 LEU QD 2 5 GLN HG2 . . 5.020 3.636 2.113 4.669 . 0 0 "[ . 1 . 2]" 1 584 1 26 LEU QD 2 7 LEU QD . . 3.000 2.045 1.526 2.600 . 0 0 "[ . 1 . 2]" 1 585 1 26 LEU QD 2 34 ALA MB . . 3.400 2.159 1.797 2.766 . 0 0 "[ . 1 . 2]" 1 586 1 26 LEU QD 2 35 TYR H . . 4.490 3.625 2.637 4.251 . 0 0 "[ . 1 . 2]" 1 587 1 26 LEU QD 2 35 TYR HA . . 4.380 4.091 3.100 4.491 0.111 8 0 "[ . 1 . 2]" 1 588 1 26 LEU QD 2 36 PRO HA . . 3.460 2.282 1.853 3.064 . 0 0 "[ . 1 . 2]" 1 589 1 26 LEU QD 2 36 PRO QB . . 3.490 2.964 2.596 3.443 . 0 0 "[ . 1 . 2]" 1 590 1 26 LEU QD 2 36 PRO QG . . 4.760 4.274 2.412 4.715 . 0 0 "[ . 1 . 2]" 1 591 1 26 LEU QD 2 37 SER H . . 4.590 4.506 3.924 4.719 0.129 19 0 "[ . 1 . 2]" 1 592 1 26 LEU MD1 1 27 SER H . . 5.500 4.760 4.233 5.021 . 0 0 "[ . 1 . 2]" 1 593 1 26 LEU MD1 1 28 LYS H . . 5.500 5.484 5.086 6.107 0.607 2 1 "[ + . 1 . 2]" 1 594 1 26 LEU MD1 2 5 GLN HB2 . . 5.500 3.840 2.018 5.224 . 0 0 "[ . 1 . 2]" 1 595 1 26 LEU MD1 2 5 GLN HE21 . . 4.690 3.360 2.198 4.812 0.122 2 0 "[ . 1 . 2]" 1 596 1 26 LEU MD1 2 5 GLN HE22 . . 5.180 3.946 3.010 5.040 . 0 0 "[ . 1 . 2]" 1 597 1 26 LEU MD1 2 7 LEU H . . 5.500 4.214 3.361 5.301 . 0 0 "[ . 1 . 2]" 1 598 1 26 LEU MD1 2 34 ALA MB . . 4.180 2.289 1.799 3.095 . 0 0 "[ . 1 . 2]" 1 599 1 26 LEU MD2 1 27 SER H . . 5.500 4.274 3.956 4.831 . 0 0 "[ . 1 . 2]" 1 600 1 26 LEU MD2 1 28 LYS H . . 5.500 5.153 4.639 5.476 . 0 0 "[ . 1 . 2]" 1 601 1 26 LEU MD2 2 5 GLN HB2 . . 5.500 2.748 1.685 5.270 . 0 0 "[ . 1 . 2]" 1 602 1 26 LEU MD2 2 5 GLN HE21 . . 4.690 2.693 1.518 3.886 . 0 0 "[ . 1 . 2]" 1 603 1 26 LEU MD2 2 5 GLN HE22 . . 5.180 3.712 2.504 4.765 . 0 0 "[ . 1 . 2]" 1 604 1 26 LEU MD2 2 7 LEU H . . 5.500 5.163 3.967 5.667 0.167 4 0 "[ . 1 . 2]" 1 605 1 26 LEU MD2 2 34 ALA MB . . 4.180 3.816 2.038 4.301 0.121 3 0 "[ . 1 . 2]" 1 606 1 26 LEU HG 2 5 GLN HE21 . . 5.390 4.601 2.504 5.522 0.132 19 0 "[ . 1 . 2]" 1 607 1 26 LEU HG 2 34 ALA MB . . 4.490 3.572 3.005 4.461 . 0 0 "[ . 1 . 2]" 1 608 1 27 SER H 1 27 SER QB . . 2.980 2.433 2.243 2.618 . 0 0 "[ . 1 . 2]" 1 609 1 27 SER H 1 28 LYS H . . 2.920 2.296 1.963 2.625 . 0 0 "[ . 1 . 2]" 1 610 1 27 SER H 1 28 LYS QG . . 5.010 4.053 3.572 4.522 . 0 0 "[ . 1 . 2]" 1 611 1 27 SER H 1 29 VAL H . . 4.320 3.937 3.522 4.343 0.023 11 0 "[ . 1 . 2]" 1 612 1 27 SER H 1 29 VAL QG . . 4.690 3.972 3.551 4.453 . 0 0 "[ . 1 . 2]" 1 613 1 27 SER HA 1 29 VAL H . . 4.560 3.746 3.543 4.161 . 0 0 "[ . 1 . 2]" 1 614 1 28 LYS H 1 28 LYS HB2 . . 3.000 2.505 2.234 2.687 . 0 0 "[ . 1 . 2]" 1 615 1 28 LYS H 1 28 LYS HB3 . . 3.970 3.690 3.532 3.819 . 0 0 "[ . 1 . 2]" 1 616 1 28 LYS H 1 28 LYS HG2 . . 4.060 3.207 2.374 4.057 . 0 0 "[ . 1 . 2]" 1 617 1 28 LYS H 1 28 LYS QG . . 3.410 2.743 2.351 3.136 . 0 0 "[ . 1 . 2]" 1 618 1 28 LYS H 1 28 LYS HG3 . . 4.060 3.550 2.568 4.148 0.088 5 0 "[ . 1 . 2]" 1 619 1 28 LYS H 1 29 VAL H . . 3.000 2.469 2.071 2.720 . 0 0 "[ . 1 . 2]" 1 620 1 28 LYS H 1 29 VAL QG . . 3.950 3.437 2.949 3.775 . 0 0 "[ . 1 . 2]" 1 621 1 28 LYS HA 1 28 LYS QD . . 3.900 2.941 1.968 4.185 0.285 18 0 "[ . 1 . 2]" 1 622 1 28 LYS HA 1 28 LYS HG2 . . 3.930 2.851 2.407 3.225 . 0 0 "[ . 1 . 2]" 1 623 1 28 LYS HA 1 28 LYS QG . . 3.380 2.734 2.326 3.072 . 0 0 "[ . 1 . 2]" 1 624 1 28 LYS HA 1 28 LYS HG3 . . 3.930 3.530 3.058 3.862 . 0 0 "[ . 1 . 2]" 1 625 1 28 LYS HB3 1 29 VAL H . . 4.750 4.341 3.786 4.528 . 0 0 "[ . 1 . 2]" 1 626 1 29 VAL H 1 29 VAL HB . . 3.790 3.277 2.441 3.785 . 0 0 "[ . 1 . 2]" 1 627 1 29 VAL H 1 29 VAL QG . . 3.060 2.103 1.884 2.462 . 0 0 "[ . 1 . 2]" 1 628 1 29 VAL H 1 30 GLU H . . 4.740 4.284 4.046 4.621 . 0 0 "[ . 1 . 2]" 1 629 1 29 VAL H 1 30 GLU QB . . 5.500 5.529 5.404 5.624 0.124 18 0 "[ . 1 . 2]" 1 630 1 29 VAL H 2 34 ALA MB . . 5.500 4.725 4.106 5.309 . 0 0 "[ . 1 . 2]" 1 631 1 29 VAL HA 1 30 GLU H . . 2.970 2.186 2.113 2.308 . 0 0 "[ . 1 . 2]" 1 632 1 29 VAL HA 1 31 PHE H . . 5.500 5.454 5.219 5.595 0.095 20 0 "[ . 1 . 2]" 1 633 1 29 VAL HB 1 30 GLU H . . 4.650 3.898 2.561 4.565 . 0 0 "[ . 1 . 2]" 1 634 1 29 VAL QG 1 30 GLU H . . 4.210 3.506 3.186 3.798 . 0 0 "[ . 1 . 2]" 1 635 1 29 VAL QG 1 31 PHE H . . 4.780 3.930 3.381 4.243 . 0 0 "[ . 1 . 2]" 1 636 1 29 VAL QG 1 31 PHE QE . . 4.250 2.628 2.022 3.239 . 0 0 "[ . 1 . 2]" 1 637 1 29 VAL QG 2 34 ALA H . . 5.440 4.331 3.483 5.477 0.037 1 0 "[ . 1 . 2]" 1 638 1 29 VAL QG 2 34 ALA MB . . 3.300 2.389 1.911 3.157 . 0 0 "[ . 1 . 2]" 1 639 1 30 GLU H 1 30 GLU QB . . 3.240 2.358 2.264 2.641 . 0 0 "[ . 1 . 2]" 1 640 1 30 GLU H 1 30 GLU HG2 . . 4.900 4.462 4.410 4.532 . 0 0 "[ . 1 . 2]" 1 641 1 30 GLU H 1 30 GLU HG3 . . 4.760 4.615 4.530 4.778 0.018 15 0 "[ . 1 . 2]" 1 642 1 30 GLU HA 1 30 GLU HG2 . . 4.190 3.065 2.881 3.223 . 0 0 "[ . 1 . 2]" 1 643 1 30 GLU HA 1 30 GLU HG3 . . 3.850 2.624 2.488 2.733 . 0 0 "[ . 1 . 2]" 1 644 1 30 GLU HA 1 31 PHE H . . 2.690 2.151 2.123 2.183 . 0 0 "[ . 1 . 2]" 1 645 1 30 GLU QB 1 31 PHE H . . 4.150 3.947 3.891 3.988 . 0 0 "[ . 1 . 2]" 1 646 1 30 GLU QB 1 60 TYR QE . . 3.650 2.075 1.616 3.371 . 0 0 "[ . 1 . 2]" 1 647 1 30 GLU HG2 1 31 PHE H . . 4.640 3.612 3.283 3.907 . 0 0 "[ . 1 . 2]" 1 648 1 30 GLU HG2 1 32 VAL H . . 5.500 4.038 3.470 4.384 . 0 0 "[ . 1 . 2]" 1 649 1 30 GLU HG2 1 32 VAL HA . . 5.290 3.274 2.825 3.624 . 0 0 "[ . 1 . 2]" 1 650 1 30 GLU HG2 1 32 VAL MG2 . . 3.960 3.581 3.313 3.879 . 0 0 "[ . 1 . 2]" 1 651 1 30 GLU HG2 1 60 TYR QE . . 4.990 3.290 2.774 4.649 . 0 0 "[ . 1 . 2]" 1 652 1 30 GLU HG3 1 31 PHE H . . 3.760 3.821 3.730 3.920 0.160 20 0 "[ . 1 . 2]" 1 653 1 30 GLU HG3 1 32 VAL HA . . 5.190 4.742 4.271 5.138 . 0 0 "[ . 1 . 2]" 1 654 1 30 GLU HG3 1 32 VAL MG2 . . 5.250 5.043 4.632 5.353 0.103 13 0 "[ . 1 . 2]" 1 655 1 31 PHE H 1 31 PHE QB . . 3.660 2.464 2.397 2.522 . 0 0 "[ . 1 . 2]" 1 656 1 31 PHE H 1 31 PHE QD . . 4.660 2.240 1.941 2.879 . 0 0 "[ . 1 . 2]" 1 657 1 31 PHE H 1 31 PHE QE . . 4.820 4.162 3.999 4.432 . 0 0 "[ . 1 . 2]" 1 658 1 31 PHE H 1 32 VAL H . . 4.840 4.298 4.105 4.424 . 0 0 "[ . 1 . 2]" 1 659 1 31 PHE H 1 32 VAL HA . . 5.500 5.293 5.165 5.444 . 0 0 "[ . 1 . 2]" 1 660 1 31 PHE H 1 32 VAL MG2 . . 5.430 5.157 4.987 5.290 . 0 0 "[ . 1 . 2]" 1 661 1 31 PHE HA 1 31 PHE QD . . 3.460 2.968 2.599 3.170 . 0 0 "[ . 1 . 2]" 1 662 1 31 PHE HA 1 31 PHE QE . . 5.030 4.702 4.598 4.811 . 0 0 "[ . 1 . 2]" 1 663 1 31 PHE HA 1 32 VAL H . . 3.090 2.154 2.126 2.193 . 0 0 "[ . 1 . 2]" 1 664 1 31 PHE QD 1 32 VAL H . . 5.150 4.623 4.322 4.819 . 0 0 "[ . 1 . 2]" 1 665 1 31 PHE QD 2 9 ILE MD . . 3.750 3.274 2.727 3.581 . 0 0 "[ . 1 . 2]" 1 666 1 31 PHE QE 2 9 ILE HB . . 4.510 3.049 2.454 3.421 . 0 0 "[ . 1 . 2]" 1 667 1 31 PHE QE 2 9 ILE MD . . 3.590 1.669 1.503 1.876 . 0 0 "[ . 1 . 2]" 1 668 1 31 PHE QE 2 9 ILE HG13 . . 5.020 3.539 3.160 3.997 . 0 0 "[ . 1 . 2]" 1 669 1 31 PHE QE 2 9 ILE MG . . 5.100 3.403 2.345 3.890 . 0 0 "[ . 1 . 2]" 1 670 1 31 PHE QE 2 34 ALA H . . 5.090 4.074 3.621 4.501 . 0 0 "[ . 1 . 2]" 1 671 1 31 PHE QE 2 34 ALA MB . . 4.340 3.452 3.007 3.877 . 0 0 "[ . 1 . 2]" 1 672 1 32 VAL H 1 32 VAL HB . . 3.380 2.608 2.513 2.667 . 0 0 "[ . 1 . 2]" 1 673 1 32 VAL H 1 32 VAL MG1 . . 4.520 3.810 3.793 3.837 . 0 0 "[ . 1 . 2]" 1 674 1 32 VAL H 1 32 VAL MG2 . . 3.130 1.964 1.874 2.075 . 0 0 "[ . 1 . 2]" 1 675 1 32 VAL HA 1 32 VAL MG1 . . 3.130 2.469 2.433 2.495 . 0 0 "[ . 1 . 2]" 1 676 1 32 VAL HA 1 32 VAL MG2 . . 3.000 2.476 2.435 2.543 . 0 0 "[ . 1 . 2]" 1 677 1 32 VAL HB 1 33 GLY H . . 4.280 2.774 2.542 3.003 . 0 0 "[ . 1 . 2]" 1 678 1 32 VAL HB 1 60 TYR QD . . 5.470 4.649 4.448 5.215 . 0 0 "[ . 1 . 2]" 1 679 1 32 VAL MG1 1 33 GLY QA . . 5.340 3.892 3.669 4.099 . 0 0 "[ . 1 . 2]" 1 680 1 32 VAL MG1 1 48 LYS HD3 . . 3.910 2.388 2.132 3.038 . 0 0 "[ . 1 . 2]" 1 681 1 32 VAL MG1 1 48 LYS HE2 . . 3.940 3.069 2.077 3.458 . 0 0 "[ . 1 . 2]" 1 682 1 32 VAL MG1 1 48 LYS HE3 . . 4.420 4.264 3.590 4.505 0.085 17 0 "[ . 1 . 2]" 1 683 1 32 VAL MG1 1 60 TYR QE . . 5.220 4.964 3.813 5.223 0.003 8 0 "[ . 1 . 2]" 1 684 1 32 VAL MG2 1 48 LYS HE2 . . 3.460 2.353 1.933 2.703 . 0 0 "[ . 1 . 2]" 1 685 1 32 VAL MG2 1 48 LYS HE3 . . 3.980 3.735 3.339 4.036 0.056 17 0 "[ . 1 . 2]" 1 686 1 32 VAL MG2 1 60 TYR H . . 5.500 5.519 5.317 5.662 0.162 19 0 "[ . 1 . 2]" 1 687 1 32 VAL MG2 1 60 TYR HB3 . . 5.320 2.570 2.347 3.139 . 0 0 "[ . 1 . 2]" 1 688 1 32 VAL MG2 1 60 TYR QD . . 3.330 2.041 1.812 2.679 . 0 0 "[ . 1 . 2]" 1 689 1 32 VAL MG2 1 60 TYR QE . . 3.180 3.088 2.278 3.274 0.094 3 0 "[ . 1 . 2]" 1 690 1 33 GLY QA 1 34 ALA MB . . 4.610 3.662 3.586 3.756 . 0 0 "[ . 1 . 2]" 1 691 1 34 ALA H 1 34 ALA MB . . 3.210 2.758 2.692 2.829 . 0 0 "[ . 1 . 2]" 1 692 1 34 ALA H 1 35 TYR H . . 5.030 4.290 4.126 4.365 . 0 0 "[ . 1 . 2]" 1 693 1 34 ALA H 2 29 VAL QG . . 5.440 4.305 3.235 4.995 . 0 0 "[ . 1 . 2]" 1 694 1 34 ALA H 2 31 PHE QE . . 5.090 4.113 3.700 4.390 . 0 0 "[ . 1 . 2]" 1 695 1 34 ALA HA 1 35 TYR H . . 2.910 2.384 2.215 2.544 . 0 0 "[ . 1 . 2]" 1 696 1 34 ALA MB 1 35 TYR H . . 3.450 2.551 2.285 3.091 . 0 0 "[ . 1 . 2]" 1 697 1 34 ALA MB 2 26 LEU HA . . 4.310 3.187 2.878 3.485 . 0 0 "[ . 1 . 2]" 1 698 1 34 ALA MB 2 26 LEU HB2 . . 4.030 3.457 2.938 3.816 . 0 0 "[ . 1 . 2]" 1 699 1 34 ALA MB 2 26 LEU MD1 . . 4.180 2.529 1.863 3.527 . 0 0 "[ . 1 . 2]" 1 700 1 34 ALA MB 2 26 LEU QD . . 3.400 2.386 1.861 3.358 . 0 0 "[ . 1 . 2]" 1 701 1 34 ALA MB 2 26 LEU MD2 . . 4.180 3.811 2.174 4.314 0.134 10 0 "[ . 1 . 2]" 1 702 1 34 ALA MB 2 26 LEU HG . . 4.490 3.460 2.920 4.401 . 0 0 "[ . 1 . 2]" 1 703 1 34 ALA MB 2 29 VAL H . . 5.500 4.803 4.196 5.269 . 0 0 "[ . 1 . 2]" 1 704 1 34 ALA MB 2 29 VAL QG . . 3.300 2.465 2.082 2.754 . 0 0 "[ . 1 . 2]" 1 705 1 34 ALA MB 2 31 PHE QE . . 4.340 3.584 3.006 4.191 . 0 0 "[ . 1 . 2]" 1 706 1 35 TYR H 1 35 TYR HB3 . . 4.050 3.726 3.569 3.800 . 0 0 "[ . 1 . 2]" 1 707 1 35 TYR H 1 35 TYR QD . . 4.810 3.010 2.637 3.346 . 0 0 "[ . 1 . 2]" 1 708 1 35 TYR H 1 36 PRO QD . . 4.640 4.505 4.453 4.550 . 0 0 "[ . 1 . 2]" 1 709 1 35 TYR H 1 37 SER H . . 4.880 4.359 4.168 4.781 . 0 0 "[ . 1 . 2]" 1 710 1 35 TYR H 1 40 GLU HB2 . . 5.500 5.141 4.942 5.400 . 0 0 "[ . 1 . 2]" 1 711 1 35 TYR H 1 41 ALA H . . 5.500 5.090 4.770 5.504 0.004 15 0 "[ . 1 . 2]" 1 712 1 35 TYR H 2 26 LEU HB2 . . 5.500 4.618 3.843 5.481 . 0 0 "[ . 1 . 2]" 1 713 1 35 TYR H 2 26 LEU QD . . 4.490 3.803 3.041 4.436 . 0 0 "[ . 1 . 2]" 1 714 1 35 TYR HA 1 36 PRO HG2 . . 4.940 4.797 4.675 4.945 0.005 15 0 "[ . 1 . 2]" 1 715 1 35 TYR HA 1 36 PRO HG3 . . 4.940 4.728 4.598 4.918 . 0 0 "[ . 1 . 2]" 1 716 1 35 TYR HA 2 26 LEU QD . . 4.380 4.201 3.264 4.527 0.147 7 0 "[ . 1 . 2]" 1 717 1 35 TYR HB3 1 36 PRO QD . . 3.720 2.173 1.967 2.440 . 0 0 "[ . 1 . 2]" 1 718 1 35 TYR HB3 1 37 SER H . . 3.580 2.818 2.551 3.090 . 0 0 "[ . 1 . 2]" 1 719 1 35 TYR HB3 1 40 GLU H . . 4.700 4.577 4.358 4.718 0.018 19 0 "[ . 1 . 2]" 1 720 1 35 TYR HB3 1 40 GLU HB2 . . 4.030 2.116 1.962 2.311 . 0 0 "[ . 1 . 2]" 1 721 1 35 TYR HB3 1 40 GLU HB3 . . 4.000 2.601 2.265 3.027 . 0 0 "[ . 1 . 2]" 1 722 1 35 TYR HB3 1 40 GLU HG2 . . 5.010 4.197 3.993 4.424 . 0 0 "[ . 1 . 2]" 1 723 1 35 TYR HB3 1 40 GLU HG3 . . 4.390 3.370 3.113 3.678 . 0 0 "[ . 1 . 2]" 1 724 1 35 TYR HB3 1 41 ALA H . . 3.980 3.852 3.488 4.026 0.046 7 0 "[ . 1 . 2]" 1 725 1 35 TYR HB3 1 41 ALA MB . . 4.260 3.847 3.553 4.068 . 0 0 "[ . 1 . 2]" 1 726 1 35 TYR QD 1 40 GLU HB2 . . 5.500 3.508 3.028 3.812 . 0 0 "[ . 1 . 2]" 1 727 1 35 TYR QD 1 40 GLU HB3 . . 4.810 2.666 1.922 3.182 . 0 0 "[ . 1 . 2]" 1 728 1 35 TYR QD 1 40 GLU HG2 . . 5.350 5.152 4.620 5.411 0.061 19 0 "[ . 1 . 2]" 1 729 1 35 TYR QD 1 40 GLU HG3 . . 5.500 4.002 3.448 4.400 . 0 0 "[ . 1 . 2]" 1 730 1 35 TYR QD 1 41 ALA HA . . 5.160 2.636 2.245 3.535 . 0 0 "[ . 1 . 2]" 1 731 1 35 TYR QD 1 41 ALA MB . . 4.330 2.732 2.427 3.770 . 0 0 "[ . 1 . 2]" 1 732 1 36 PRO HA 2 26 LEU QD . . 3.460 2.242 1.947 2.731 . 0 0 "[ . 1 . 2]" 1 733 1 36 PRO QB 2 26 LEU QD . . 3.490 3.074 2.468 3.469 . 0 0 "[ . 1 . 2]" 1 734 1 36 PRO QD 1 37 SER H . . 3.420 3.120 2.908 3.247 . 0 0 "[ . 1 . 2]" 1 735 1 36 PRO QD 1 40 GLU HB2 . . 3.900 3.532 3.047 3.843 . 0 0 "[ . 1 . 2]" 1 736 1 36 PRO QD 1 40 GLU HG3 . . 3.740 3.236 2.644 3.748 0.008 14 0 "[ . 1 . 2]" 1 737 1 36 PRO QG 1 37 SER H . . 3.700 3.369 2.887 3.712 0.012 18 0 "[ . 1 . 2]" 1 738 1 36 PRO QG 2 26 LEU QD . . 4.760 4.454 3.990 4.835 0.075 7 0 "[ . 1 . 2]" 1 739 1 37 SER H 1 37 SER QB . . 3.510 2.838 2.702 2.929 . 0 0 "[ . 1 . 2]" 1 740 1 37 SER H 1 38 TYR H . . 5.160 4.307 4.212 4.395 . 0 0 "[ . 1 . 2]" 1 741 1 37 SER H 1 38 TYR HA . . 4.950 4.850 4.708 4.982 0.032 10 0 "[ . 1 . 2]" 1 742 1 37 SER H 1 40 GLU H . . 4.440 4.302 3.837 4.522 0.082 14 0 "[ . 1 . 2]" 1 743 1 37 SER H 1 40 GLU HB2 . . 3.580 2.979 2.398 3.273 . 0 0 "[ . 1 . 2]" 1 744 1 37 SER H 1 40 GLU HB3 . . 4.760 4.427 3.800 4.774 0.014 4 0 "[ . 1 . 2]" 1 745 1 37 SER H 1 40 GLU HG2 . . 5.340 3.916 3.469 4.299 . 0 0 "[ . 1 . 2]" 1 746 1 37 SER H 1 40 GLU HG3 . . 4.680 3.671 2.949 4.145 . 0 0 "[ . 1 . 2]" 1 747 1 37 SER H 1 41 ALA MB . . 4.320 4.421 4.301 4.538 0.218 14 0 "[ . 1 . 2]" 1 748 1 37 SER H 2 26 LEU QD . . 4.590 4.513 4.104 4.709 0.119 13 0 "[ . 1 . 2]" 1 749 1 37 SER HA 1 38 TYR H . . 3.090 2.290 2.156 2.475 . 0 0 "[ . 1 . 2]" 1 750 1 37 SER HA 1 38 TYR HB2 . . 5.490 4.756 4.644 4.970 . 0 0 "[ . 1 . 2]" 1 751 1 37 SER HA 1 38 TYR HB3 . . 5.400 4.676 4.462 4.859 . 0 0 "[ . 1 . 2]" 1 752 1 38 TYR H 1 38 TYR HB2 . . 3.870 2.730 2.647 2.853 . 0 0 "[ . 1 . 2]" 1 753 1 38 TYR H 1 38 TYR HB3 . . 3.870 2.406 2.321 2.488 . 0 0 "[ . 1 . 2]" 1 754 1 38 TYR H 1 38 TYR QD . . 4.400 4.251 4.207 4.292 . 0 0 "[ . 1 . 2]" 1 755 1 38 TYR H 1 39 ASP H . . 3.280 2.807 2.606 3.124 . 0 0 "[ . 1 . 2]" 1 756 1 38 TYR H 1 40 GLU H . . 5.190 4.235 3.993 4.436 . 0 0 "[ . 1 . 2]" 1 757 1 38 TYR HA 1 38 TYR QD . . 3.560 2.578 2.270 2.927 . 0 0 "[ . 1 . 2]" 1 758 1 38 TYR HA 1 38 TYR QE . . 5.030 4.708 4.596 4.853 . 0 0 "[ . 1 . 2]" 1 759 1 38 TYR HA 1 40 GLU H . . 4.640 4.307 4.175 4.472 . 0 0 "[ . 1 . 2]" 1 760 1 38 TYR HB2 1 39 ASP H . . 4.300 4.028 3.858 4.202 . 0 0 "[ . 1 . 2]" 1 761 1 38 TYR HB3 1 39 ASP H . . 4.300 2.701 2.432 2.986 . 0 0 "[ . 1 . 2]" 1 762 1 38 TYR HB3 1 39 ASP HA . . 4.980 4.475 4.298 4.732 . 0 0 "[ . 1 . 2]" 1 763 1 38 TYR QD 1 39 ASP H . . 3.940 3.638 3.127 3.996 0.056 5 0 "[ . 1 . 2]" 1 764 1 38 TYR QD 1 39 ASP QB . . 5.130 3.888 2.982 4.642 . 0 0 "[ . 1 . 2]" 1 765 1 38 TYR QD 2 69 LEU QD . . 5.160 4.958 4.443 5.203 0.043 6 0 "[ . 1 . 2]" 1 766 1 38 TYR QE 1 42 HIS HB2 . . 4.620 3.436 3.061 3.798 . 0 0 "[ . 1 . 2]" 1 767 1 38 TYR QE 1 42 HIS HB3 . . 5.450 4.624 4.158 5.117 . 0 0 "[ . 1 . 2]" 1 768 1 38 TYR QE 1 62 ILE HB . . 5.170 4.668 3.682 5.192 0.022 19 0 "[ . 1 . 2]" 1 769 1 38 TYR QE 1 62 ILE MD . . 4.180 3.364 2.214 3.887 . 0 0 "[ . 1 . 2]" 1 770 1 38 TYR QE 2 69 LEU HB2 . . 5.500 5.209 4.297 5.558 0.058 12 0 "[ . 1 . 2]" 1 771 1 38 TYR QE 2 69 LEU HB3 . . 5.240 4.952 4.404 5.305 0.065 11 0 "[ . 1 . 2]" 1 772 1 38 TYR QE 2 69 LEU QD . . 3.700 3.752 3.386 3.896 0.196 8 0 "[ . 1 . 2]" 1 773 1 39 ASP H 1 39 ASP HA . . 2.910 2.826 2.790 2.856 . 0 0 "[ . 1 . 2]" 1 774 1 39 ASP H 1 39 ASP HB2 . . 3.110 2.540 2.310 2.699 . 0 0 "[ . 1 . 2]" 1 775 1 39 ASP H 1 39 ASP QB . . 2.590 2.267 2.198 2.327 . 0 0 "[ . 1 . 2]" 1 776 1 39 ASP H 1 39 ASP HB3 . . 3.110 2.564 2.434 2.756 . 0 0 "[ . 1 . 2]" 1 777 1 39 ASP H 1 40 GLU H . . 3.330 2.661 2.581 2.763 . 0 0 "[ . 1 . 2]" 1 778 1 39 ASP H 1 40 GLU HG2 . . 5.500 4.210 4.025 4.520 . 0 0 "[ . 1 . 2]" 1 779 1 39 ASP H 1 41 ALA H . . 4.400 4.229 4.040 4.406 0.006 18 0 "[ . 1 . 2]" 1 780 1 39 ASP H 1 41 ALA MB . . 5.310 4.981 4.679 5.230 . 0 0 "[ . 1 . 2]" 1 781 1 39 ASP H 1 42 HIS HB2 . . 5.500 4.995 4.575 5.423 . 0 0 "[ . 1 . 2]" 1 782 1 39 ASP HA 1 41 ALA H . . 4.480 4.344 4.052 4.515 0.035 7 0 "[ . 1 . 2]" 1 783 1 39 ASP HA 1 42 HIS H . . 3.900 3.284 2.982 3.559 . 0 0 "[ . 1 . 2]" 1 784 1 39 ASP HA 1 42 HIS HB2 . . 4.430 3.001 2.510 3.439 . 0 0 "[ . 1 . 2]" 1 785 1 39 ASP HA 1 42 HIS HB3 . . 3.960 2.203 1.661 2.894 . 0 0 "[ . 1 . 2]" 1 786 1 39 ASP HA 1 43 LYS H . . 4.400 4.037 3.558 4.463 0.063 2 0 "[ . 1 . 2]" 1 787 1 39 ASP QB 1 40 GLU H . . 3.190 2.862 2.545 3.153 . 0 0 "[ . 1 . 2]" 1 788 1 39 ASP QB 1 40 GLU HA . . 5.340 4.342 4.126 4.572 . 0 0 "[ . 1 . 2]" 1 789 1 39 ASP QB 1 41 ALA H . . 5.340 4.937 4.714 5.148 . 0 0 "[ . 1 . 2]" 1 790 1 40 GLU H 1 40 GLU HB2 . . 3.150 2.536 2.443 2.639 . 0 0 "[ . 1 . 2]" 1 791 1 40 GLU H 1 40 GLU HG2 . . 3.780 2.227 2.126 2.401 . 0 0 "[ . 1 . 2]" 1 792 1 40 GLU H 1 40 GLU HG3 . . 4.570 3.674 3.561 3.832 . 0 0 "[ . 1 . 2]" 1 793 1 40 GLU H 1 41 ALA H . . 3.080 2.611 2.510 2.669 . 0 0 "[ . 1 . 2]" 1 794 1 40 GLU H 1 41 ALA MB . . 4.330 4.271 4.201 4.336 0.006 17 0 "[ . 1 . 2]" 1 795 1 40 GLU H 1 42 HIS H . . 4.430 3.876 3.729 3.992 . 0 0 "[ . 1 . 2]" 1 796 1 40 GLU H 1 43 LYS H . . 5.030 4.666 4.442 4.894 . 0 0 "[ . 1 . 2]" 1 797 1 40 GLU HA 1 40 GLU HG2 . . 3.610 3.200 3.098 3.346 . 0 0 "[ . 1 . 2]" 1 798 1 40 GLU HA 1 40 GLU HG3 . . 4.130 3.817 3.746 3.872 . 0 0 "[ . 1 . 2]" 1 799 1 40 GLU HB2 1 41 ALA H . . 3.570 2.633 2.525 2.809 . 0 0 "[ . 1 . 2]" 1 800 1 40 GLU HB2 1 41 ALA HA . . 5.500 4.369 4.247 4.524 . 0 0 "[ . 1 . 2]" 1 801 1 40 GLU HB3 1 41 ALA H . . 4.170 3.729 3.626 3.903 . 0 0 "[ . 1 . 2]" 1 802 1 40 GLU HB3 1 41 ALA MB . . 5.500 4.736 4.610 4.912 . 0 0 "[ . 1 . 2]" 1 803 1 40 GLU HG2 1 41 ALA H . . 4.700 4.244 4.059 4.379 . 0 0 "[ . 1 . 2]" 1 804 1 40 GLU HG2 1 41 ALA MB . . 5.500 5.564 5.371 5.691 0.191 19 0 "[ . 1 . 2]" 1 805 1 41 ALA H 1 41 ALA MB . . 2.860 2.214 2.193 2.251 . 0 0 "[ . 1 . 2]" 1 806 1 41 ALA H 1 42 HIS H . . 3.140 2.440 2.366 2.556 . 0 0 "[ . 1 . 2]" 1 807 1 41 ALA HA 1 44 ALA H . . 3.860 3.286 3.106 3.605 . 0 0 "[ . 1 . 2]" 1 808 1 41 ALA HA 1 44 ALA MB . . 3.440 2.436 2.223 2.691 . 0 0 "[ . 1 . 2]" 1 809 1 41 ALA MB 1 42 HIS H . . 3.210 2.632 2.396 2.844 . 0 0 "[ . 1 . 2]" 1 810 1 41 ALA MB 1 42 HIS HB2 . . 5.500 4.092 3.818 4.464 . 0 0 "[ . 1 . 2]" 1 811 1 41 ALA MB 1 45 TRP H . . 5.500 4.976 4.820 5.131 . 0 0 "[ . 1 . 2]" 1 812 1 41 ALA MB 1 62 ILE MD . . 4.070 3.806 3.194 4.120 0.050 12 0 "[ . 1 . 2]" 1 813 1 42 HIS H 1 42 HIS HB2 . . 3.020 2.530 2.353 2.728 . 0 0 "[ . 1 . 2]" 1 814 1 42 HIS H 1 42 HIS HB3 . . 2.950 2.503 2.331 2.641 . 0 0 "[ . 1 . 2]" 1 815 1 42 HIS H 1 42 HIS HD2 . . 5.110 5.043 4.954 5.122 0.012 3 0 "[ . 1 . 2]" 1 816 1 42 HIS H 1 43 LYS H . . 3.310 2.574 2.342 2.855 . 0 0 "[ . 1 . 2]" 1 817 1 42 HIS H 1 44 ALA H . . 4.520 3.944 3.737 4.223 . 0 0 "[ . 1 . 2]" 1 818 1 42 HIS H 1 62 ILE MD . . 4.450 3.951 3.685 4.105 . 0 0 "[ . 1 . 2]" 1 819 1 42 HIS HA 1 42 HIS HD2 . . 3.800 2.651 2.462 3.089 . 0 0 "[ . 1 . 2]" 1 820 1 42 HIS HA 1 45 TRP H . . 4.330 3.829 3.518 4.121 . 0 0 "[ . 1 . 2]" 1 821 1 42 HIS HA 1 45 TRP HB2 . . 4.670 4.205 3.744 4.625 . 0 0 "[ . 1 . 2]" 1 822 1 42 HIS HA 1 45 TRP HB3 . . 4.010 3.283 2.888 3.632 . 0 0 "[ . 1 . 2]" 1 823 1 42 HIS HA 1 62 ILE MD . . 3.150 1.925 1.843 2.003 . 0 0 "[ . 1 . 2]" 1 824 1 42 HIS HB2 1 43 LYS H . . 3.930 3.963 3.845 4.046 0.116 3 0 "[ . 1 . 2]" 1 825 1 42 HIS HB2 1 62 ILE MD . . 3.990 3.304 3.012 3.676 . 0 0 "[ . 1 . 2]" 1 826 1 42 HIS HB3 1 43 LYS H . . 3.320 2.793 2.453 3.036 . 0 0 "[ . 1 . 2]" 1 827 1 42 HIS HB3 1 62 ILE MD . . 4.360 4.255 4.023 4.410 0.050 9 0 "[ . 1 . 2]" 1 828 1 42 HIS HD2 1 45 TRP HB3 . . 5.260 3.715 3.440 4.082 . 0 0 "[ . 1 . 2]" 1 829 1 42 HIS HD2 1 45 TRP HE3 . . 4.080 3.283 2.658 3.598 . 0 0 "[ . 1 . 2]" 1 830 1 42 HIS HD2 1 46 LYS H . . 5.500 5.573 5.080 5.723 0.223 11 0 "[ . 1 . 2]" 1 831 1 42 HIS HD2 1 62 ILE MD . . 3.570 2.418 1.969 2.900 . 0 0 "[ . 1 . 2]" 1 832 1 42 HIS HD2 1 62 ILE MG . . 5.290 5.043 4.552 5.407 0.117 10 0 "[ . 1 . 2]" 1 833 1 42 HIS HD2 2 71 PRO HB2 . . 5.270 4.042 2.644 5.248 . 0 0 "[ . 1 . 2]" 1 834 1 42 HIS HD2 2 71 PRO HB3 . . 3.890 3.346 1.833 4.050 0.160 12 0 "[ . 1 . 2]" 1 835 1 42 HIS HD2 2 71 PRO HG2 . . 5.170 2.926 2.223 4.776 . 0 0 "[ . 1 . 2]" 1 836 1 42 HIS HD2 2 71 PRO HG3 . . 5.170 2.568 2.047 3.575 . 0 0 "[ . 1 . 2]" 1 837 1 43 LYS H 1 43 LYS HB3 . . 2.750 2.728 2.543 2.904 0.154 14 0 "[ . 1 . 2]" 1 838 1 43 LYS H 1 43 LYS QD . . 4.720 4.326 3.967 4.476 . 0 0 "[ . 1 . 2]" 1 839 1 43 LYS H 1 43 LYS QE . . 5.000 3.861 3.316 5.097 0.097 19 0 "[ . 1 . 2]" 1 840 1 43 LYS H 1 43 LYS HG2 . . 4.680 4.632 4.571 4.693 0.013 2 0 "[ . 1 . 2]" 1 841 1 43 LYS H 1 43 LYS QG . . 4.070 4.094 4.060 4.119 0.049 2 0 "[ . 1 . 2]" 1 842 1 43 LYS H 1 43 LYS HG3 . . 4.680 4.561 4.512 4.603 . 0 0 "[ . 1 . 2]" 1 843 1 43 LYS H 1 44 ALA H . . 3.160 2.417 2.202 2.656 . 0 0 "[ . 1 . 2]" 1 844 1 43 LYS H 1 44 ALA MB . . 4.320 4.087 3.905 4.307 . 0 0 "[ . 1 . 2]" 1 845 1 43 LYS H 1 45 TRP H . . 4.520 4.110 3.942 4.383 . 0 0 "[ . 1 . 2]" 1 846 1 43 LYS H 1 46 LYS H . . 5.500 5.530 5.377 5.646 0.146 19 0 "[ . 1 . 2]" 1 847 1 43 LYS H 1 62 ILE MD . . 4.930 4.805 4.652 4.929 . 0 0 "[ . 1 . 2]" 1 848 1 43 LYS HA 1 43 LYS QD . . 4.070 2.014 1.903 2.083 . 0 0 "[ . 1 . 2]" 1 849 1 43 LYS HA 1 43 LYS HG2 . . 4.010 3.729 3.667 3.797 . 0 0 "[ . 1 . 2]" 1 850 1 43 LYS HA 1 43 LYS HG3 . . 4.010 2.928 2.712 3.131 . 0 0 "[ . 1 . 2]" 1 851 1 43 LYS HA 1 45 TRP H . . 4.630 4.169 4.027 4.282 . 0 0 "[ . 1 . 2]" 1 852 1 43 LYS HA 1 46 LYS H . . 3.920 3.786 3.654 3.956 0.036 19 0 "[ . 1 . 2]" 1 853 1 43 LYS HB2 1 43 LYS QE . . 3.190 2.196 1.823 3.142 . 0 0 "[ . 1 . 2]" 1 854 1 43 LYS HB3 1 43 LYS QE . . 4.190 3.621 3.333 4.127 . 0 0 "[ . 1 . 2]" 1 855 1 43 LYS HB3 1 43 LYS QG . . 2.540 2.186 2.175 2.195 . 0 0 "[ . 1 . 2]" 1 856 1 43 LYS HB3 1 44 ALA H . . 3.040 2.806 2.710 2.922 . 0 0 "[ . 1 . 2]" 1 857 1 43 LYS QD 1 45 TRP HE3 . . 4.310 4.486 4.180 4.651 0.341 4 0 "[ . 1 . 2]" 1 858 1 43 LYS QD 1 46 LYS H . . 5.190 4.788 4.278 5.181 . 0 0 "[ . 1 . 2]" 1 859 1 43 LYS QE 1 43 LYS HG2 . . 3.880 2.739 2.400 3.169 . 0 0 "[ . 1 . 2]" 1 860 1 43 LYS QE 1 43 LYS QG . . 3.210 2.630 2.350 2.967 . 0 0 "[ . 1 . 2]" 1 861 1 43 LYS QE 1 43 LYS HG3 . . 3.880 3.469 3.358 3.576 . 0 0 "[ . 1 . 2]" 1 862 1 43 LYS QG 1 44 ALA H . . 4.480 4.156 3.885 4.304 . 0 0 "[ . 1 . 2]" 1 863 1 43 LYS QG 1 44 ALA HA . . 4.520 4.366 3.849 4.669 0.149 11 0 "[ . 1 . 2]" 1 864 1 43 LYS HG2 1 44 ALA H . . 5.130 5.092 4.984 5.202 0.072 5 0 "[ . 1 . 2]" 1 865 1 43 LYS HG3 1 44 ALA H . . 5.130 4.410 4.053 4.621 . 0 0 "[ . 1 . 2]" 1 866 1 44 ALA H 1 44 ALA MB . . 2.700 2.232 2.213 2.252 . 0 0 "[ . 1 . 2]" 1 867 1 44 ALA H 1 45 TRP H . . 3.040 2.687 2.549 2.752 . 0 0 "[ . 1 . 2]" 1 868 1 44 ALA H 1 47 ALA MB . . 5.230 4.264 4.093 4.483 . 0 0 "[ . 1 . 2]" 1 869 1 44 ALA H 1 62 ILE MD . . 5.210 5.142 4.922 5.301 0.091 10 0 "[ . 1 . 2]" 1 870 1 44 ALA HA 1 47 ALA MB . . 2.780 2.060 1.897 2.185 . 0 0 "[ . 1 . 2]" 1 871 1 44 ALA MB 1 45 TRP H . . 2.980 2.728 2.629 2.875 . 0 0 "[ . 1 . 2]" 1 872 1 44 ALA MB 1 45 TRP HB3 . . 4.570 4.489 4.372 4.615 0.045 19 0 "[ . 1 . 2]" 1 873 1 44 ALA MB 1 46 LYS H . . 4.850 4.821 4.738 4.890 0.040 14 0 "[ . 1 . 2]" 1 874 1 44 ALA MB 1 47 ALA MB . . 3.440 3.405 3.266 3.529 0.089 16 0 "[ . 1 . 2]" 1 875 1 45 TRP H 1 45 TRP HB2 . . 3.320 3.015 2.889 3.083 . 0 0 "[ . 1 . 2]" 1 876 1 45 TRP H 1 45 TRP HB3 . . 3.600 2.134 2.088 2.181 . 0 0 "[ . 1 . 2]" 1 877 1 45 TRP H 1 46 LYS HB3 . . 5.080 5.078 4.860 5.199 0.119 15 0 "[ . 1 . 2]" 1 878 1 45 TRP H 1 62 ILE MD . . 4.180 3.843 3.616 4.068 . 0 0 "[ . 1 . 2]" 1 879 1 45 TRP HA 1 45 TRP HD1 . . 3.930 3.535 3.365 3.664 . 0 0 "[ . 1 . 2]" 1 880 1 45 TRP HA 1 47 ALA H . . 5.270 4.676 4.539 4.788 . 0 0 "[ . 1 . 2]" 1 881 1 45 TRP HA 1 48 LYS H . . 4.110 4.042 3.871 4.153 0.043 19 0 "[ . 1 . 2]" 1 882 1 45 TRP HA 1 48 LYS HB2 . . 4.670 3.373 3.098 3.480 . 0 0 "[ . 1 . 2]" 1 883 1 45 TRP HA 1 48 LYS HB3 . . 4.940 4.960 4.679 5.061 0.121 17 0 "[ . 1 . 2]" 1 884 1 45 TRP HA 1 48 LYS HG3 . . 5.500 4.376 4.069 4.677 . 0 0 "[ . 1 . 2]" 1 885 1 45 TRP HA 1 49 ALA H . . 4.540 4.401 4.186 4.569 0.029 11 0 "[ . 1 . 2]" 1 886 1 45 TRP HB2 1 62 ILE MD . . 3.770 2.673 2.399 2.958 . 0 0 "[ . 1 . 2]" 1 887 1 45 TRP HB2 1 62 ILE HG12 . . 4.680 2.473 2.350 2.650 . 0 0 "[ . 1 . 2]" 1 888 1 45 TRP HB2 1 62 ILE HG13 . . 5.260 2.546 2.305 2.825 . 0 0 "[ . 1 . 2]" 1 889 1 45 TRP HB2 1 62 ILE MG . . 4.420 4.466 4.382 4.589 0.169 11 0 "[ . 1 . 2]" 1 890 1 45 TRP HB3 1 46 LYS H . . 3.330 2.883 2.706 3.012 . 0 0 "[ . 1 . 2]" 1 891 1 45 TRP HB3 1 62 ILE MD . . 4.360 2.502 2.329 2.637 . 0 0 "[ . 1 . 2]" 1 892 1 45 TRP HD1 1 46 LYS H . . 5.370 4.970 4.775 5.120 . 0 0 "[ . 1 . 2]" 1 893 1 45 TRP HD1 1 61 PHE HA . . 4.480 2.319 1.675 2.879 . 0 0 "[ . 1 . 2]" 1 894 1 45 TRP HD1 1 62 ILE H . . 5.500 4.674 4.247 4.951 . 0 0 "[ . 1 . 2]" 1 895 1 45 TRP HD1 1 62 ILE MD . . 4.410 4.391 4.178 4.509 0.099 11 0 "[ . 1 . 2]" 1 896 1 45 TRP HD1 1 62 ILE HG13 . . 4.790 3.783 3.506 3.950 . 0 0 "[ . 1 . 2]" 1 897 1 45 TRP HE1 1 49 ALA MB . . 4.110 4.084 3.871 4.259 0.149 18 0 "[ . 1 . 2]" 1 898 1 45 TRP HE1 2 70 ASP QB . . 5.290 4.400 3.266 5.292 0.002 14 0 "[ . 1 . 2]" 1 899 1 45 TRP HE1 2 71 PRO HD2 . . 3.510 2.946 2.685 3.375 . 0 0 "[ . 1 . 2]" 1 900 1 45 TRP HE1 2 71 PRO HD3 . . 5.000 4.401 3.964 5.000 . 17 0 "[ . 1 . 2]" 1 901 1 45 TRP HE1 2 71 PRO QG . . 4.210 4.256 3.712 4.458 0.248 9 0 "[ . 1 . 2]" 1 902 1 45 TRP HE1 2 72 SER H . . 5.280 4.154 3.147 5.139 . 0 0 "[ . 1 . 2]" 1 903 1 45 TRP HE1 2 72 SER QB . . 5.340 3.775 2.298 5.068 . 0 0 "[ . 1 . 2]" 1 904 1 45 TRP HE3 1 46 LYS H . . 3.070 2.545 2.285 2.777 . 0 0 "[ . 1 . 2]" 1 905 1 45 TRP HE3 1 46 LYS HA . . 5.500 4.572 4.326 4.776 . 0 0 "[ . 1 . 2]" 1 906 1 45 TRP HE3 1 46 LYS HB3 . . 3.540 3.269 2.911 3.557 0.017 15 0 "[ . 1 . 2]" 1 907 1 45 TRP HE3 1 62 ILE MD . . 4.250 3.765 3.481 4.041 . 0 0 "[ . 1 . 2]" 1 908 1 45 TRP HE3 2 71 PRO HB3 . . 5.500 5.174 4.205 5.699 0.199 15 0 "[ . 1 . 2]" 1 909 1 45 TRP HH2 1 46 LYS HB3 . . 4.480 4.778 4.630 4.925 0.445 12 0 "[ . 1 . 2]" 1 910 1 45 TRP HH2 1 46 LYS QG . . 4.930 4.615 4.200 4.986 0.056 10 0 "[ . 1 . 2]" 1 911 1 45 TRP HH2 2 71 PRO HB2 . . 4.890 3.572 3.022 4.675 . 0 0 "[ . 1 . 2]" 1 912 1 45 TRP HH2 2 71 PRO HB3 . . 5.500 4.986 4.482 5.698 0.198 1 0 "[ . 1 . 2]" 1 913 1 45 TRP HH2 2 72 SER H . . 5.370 5.050 4.442 5.419 0.049 4 0 "[ . 1 . 2]" 1 914 1 45 TRP HZ2 2 71 PRO HD2 . . 4.180 3.623 3.157 4.222 0.042 10 0 "[ . 1 . 2]" 1 915 1 45 TRP HZ2 2 72 SER H . . 4.290 3.656 3.011 4.333 0.043 4 0 "[ . 1 . 2]" 1 916 1 45 TRP HZ2 2 72 SER HA . . 5.500 4.044 2.117 5.552 0.052 17 0 "[ . 1 . 2]" 1 917 1 45 TRP HZ2 2 72 SER QB . . 3.820 2.833 1.759 3.920 0.100 9 0 "[ . 1 . 2]" 1 918 1 46 LYS H 1 46 LYS HB3 . . 2.740 2.340 2.153 2.490 . 0 0 "[ . 1 . 2]" 1 919 1 46 LYS H 1 46 LYS QG . . 4.210 3.989 3.843 4.044 . 0 0 "[ . 1 . 2]" 1 920 1 46 LYS H 1 47 ALA H . . 3.210 2.432 2.314 2.592 . 0 0 "[ . 1 . 2]" 1 921 1 46 LYS H 1 47 ALA MB . . 4.600 4.105 3.988 4.202 . 0 0 "[ . 1 . 2]" 1 922 1 46 LYS H 1 48 LYS H . . 4.690 4.003 3.852 4.145 . 0 0 "[ . 1 . 2]" 1 923 1 46 LYS H 1 49 ALA H . . 5.420 4.595 4.488 4.774 . 0 0 "[ . 1 . 2]" 1 924 1 46 LYS H 1 49 ALA MB . . 4.870 4.500 4.334 4.689 . 0 0 "[ . 1 . 2]" 1 925 1 46 LYS H 1 62 ILE MD . . 5.280 5.011 4.838 5.261 . 0 0 "[ . 1 . 2]" 1 926 1 46 LYS HA 1 46 LYS QG . . 3.950 2.648 2.485 2.831 . 0 0 "[ . 1 . 2]" 1 927 1 46 LYS HA 1 48 LYS H . . 4.570 4.024 3.717 4.322 . 0 0 "[ . 1 . 2]" 1 928 1 46 LYS HA 1 49 ALA H . . 3.810 3.056 2.787 3.483 . 0 0 "[ . 1 . 2]" 1 929 1 46 LYS HA 1 49 ALA MB . . 3.290 2.210 1.989 2.624 . 0 0 "[ . 1 . 2]" 1 930 1 46 LYS HA 1 50 GLN H . . 4.280 3.677 3.475 4.007 . 0 0 "[ . 1 . 2]" 1 931 1 46 LYS HA 1 50 GLN HB2 . . 5.500 5.156 4.996 5.500 . 0 0 "[ . 1 . 2]" 1 932 1 46 LYS HB3 1 47 ALA H . . 3.070 2.916 2.586 3.080 0.010 11 0 "[ . 1 . 2]" 1 933 1 46 LYS HB3 1 47 ALA MB . . 4.420 4.338 4.049 4.480 0.060 2 0 "[ . 1 . 2]" 1 934 1 46 LYS HB3 1 48 LYS H . . 5.010 5.148 5.029 5.222 0.212 1 0 "[ . 1 . 2]" 1 935 1 46 LYS QG 1 47 ALA H . . 4.010 3.669 3.153 4.031 0.021 15 0 "[ . 1 . 2]" 1 936 1 46 LYS QG 1 50 GLN H . . 4.240 3.915 3.573 4.258 0.018 12 0 "[ . 1 . 2]" 1 937 1 46 LYS QG 1 50 GLN HB2 . . 3.980 3.883 3.709 4.026 0.046 3 0 "[ . 1 . 2]" 1 938 1 46 LYS QG 1 50 GLN HE21 . . 4.810 2.906 2.531 3.275 . 0 0 "[ . 1 . 2]" 1 939 1 46 LYS QG 1 50 GLN HE22 . . 4.990 2.891 2.467 3.258 . 0 0 "[ . 1 . 2]" 1 940 1 46 LYS QG 1 50 GLN QG . . 4.310 2.511 2.192 2.959 . 0 0 "[ . 1 . 2]" 1 941 1 47 ALA H 1 47 ALA MB . . 2.660 2.242 2.214 2.267 . 0 0 "[ . 1 . 2]" 1 942 1 47 ALA H 1 48 LYS HG2 . . 5.500 4.735 4.555 4.943 . 0 0 "[ . 1 . 2]" 1 943 1 47 ALA H 1 49 ALA H . . 4.400 4.147 3.849 4.290 . 0 0 "[ . 1 . 2]" 1 944 1 47 ALA H 1 49 ALA MB . . 4.990 4.781 4.523 4.960 . 0 0 "[ . 1 . 2]" 1 945 1 47 ALA H 1 50 GLN H . . 5.210 4.931 4.760 5.016 . 0 0 "[ . 1 . 2]" 1 946 1 47 ALA H 1 50 GLN HE21 . . 4.810 4.812 4.496 4.906 0.096 5 0 "[ . 1 . 2]" 1 947 1 47 ALA HA 1 49 ALA H . . 5.160 4.782 4.529 4.884 . 0 0 "[ . 1 . 2]" 1 948 1 47 ALA HA 1 50 GLN H . . 4.400 4.139 3.850 4.360 . 0 0 "[ . 1 . 2]" 1 949 1 47 ALA HA 1 50 GLN HB2 . . 4.770 3.505 3.228 3.737 . 0 0 "[ . 1 . 2]" 1 950 1 47 ALA HA 1 50 GLN HB3 . . 5.500 5.145 4.872 5.403 . 0 0 "[ . 1 . 2]" 1 951 1 47 ALA HA 1 50 GLN HE21 . . 5.370 2.870 2.503 3.265 . 0 0 "[ . 1 . 2]" 1 952 1 47 ALA HA 1 50 GLN QG . . 5.410 4.574 4.236 4.925 . 0 0 "[ . 1 . 2]" 1 953 1 47 ALA HA 1 51 ALA H . . 4.890 4.470 4.260 4.757 . 0 0 "[ . 1 . 2]" 1 954 1 47 ALA MB 1 48 LYS H . . 3.120 2.694 2.558 2.926 . 0 0 "[ . 1 . 2]" 1 955 1 47 ALA MB 1 48 LYS HG2 . . 3.730 3.321 3.075 3.630 . 0 0 "[ . 1 . 2]" 1 956 1 47 ALA MB 1 49 ALA H . . 4.880 4.691 4.518 4.836 . 0 0 "[ . 1 . 2]" 1 957 1 47 ALA MB 1 49 ALA MB . . 5.500 5.450 5.290 5.538 0.038 5 0 "[ . 1 . 2]" 1 958 1 47 ALA MB 1 50 GLN HB2 . . 5.360 4.950 4.708 5.172 . 0 0 "[ . 1 . 2]" 1 959 1 48 LYS H 1 48 LYS HB2 . . 3.010 2.313 2.216 2.393 . 0 0 "[ . 1 . 2]" 1 960 1 48 LYS H 1 48 LYS HB3 . . 3.690 3.563 3.505 3.600 . 0 0 "[ . 1 . 2]" 1 961 1 48 LYS H 1 48 LYS HD2 . . 5.260 4.066 3.813 4.408 . 0 0 "[ . 1 . 2]" 1 962 1 48 LYS H 1 48 LYS HE2 . . 5.500 5.669 5.610 5.748 0.248 15 0 "[ . 1 . 2]" 1 963 1 48 LYS H 1 48 LYS HE3 . . 5.500 5.076 4.931 5.190 . 0 0 "[ . 1 . 2]" 1 964 1 48 LYS H 1 48 LYS HG2 . . 4.470 2.668 2.470 2.867 . 0 0 "[ . 1 . 2]" 1 965 1 48 LYS H 1 48 LYS HG3 . . 4.510 3.853 3.769 3.964 . 0 0 "[ . 1 . 2]" 1 966 1 48 LYS H 1 49 ALA H . . 2.900 2.469 2.383 2.550 . 0 0 "[ . 1 . 2]" 1 967 1 48 LYS H 1 50 GLN H . . 4.310 4.114 3.945 4.247 . 0 0 "[ . 1 . 2]" 1 968 1 48 LYS H 1 51 ALA H . . 4.550 4.605 4.538 4.673 0.123 18 0 "[ . 1 . 2]" 1 969 1 48 LYS H 1 52 THR MG . . 5.500 5.530 5.267 5.651 0.151 20 0 "[ . 1 . 2]" 1 970 1 48 LYS H 1 60 TYR HB2 . . 5.500 4.735 4.489 5.188 . 0 0 "[ . 1 . 2]" 1 971 1 48 LYS HA 1 48 LYS HD2 . . 3.540 2.105 2.031 2.252 . 0 0 "[ . 1 . 2]" 1 972 1 48 LYS HA 1 48 LYS HD3 . . 3.780 3.693 3.627 3.778 . 0 0 "[ . 1 . 2]" 1 973 1 48 LYS HA 1 51 ALA H . . 3.740 3.423 3.257 3.567 . 0 0 "[ . 1 . 2]" 1 974 1 48 LYS HA 1 51 ALA MB . . 3.600 2.395 2.307 2.473 . 0 0 "[ . 1 . 2]" 1 975 1 48 LYS HA 1 52 THR H . . 4.650 4.154 3.602 4.627 . 0 0 "[ . 1 . 2]" 1 976 1 48 LYS HA 1 52 THR MG . . 4.420 3.297 3.070 3.483 . 0 0 "[ . 1 . 2]" 1 977 1 48 LYS HB2 1 48 LYS HE2 . . 5.490 4.059 3.894 4.152 . 0 0 "[ . 1 . 2]" 1 978 1 48 LYS HB2 1 49 ALA H . . 3.360 2.575 2.443 2.736 . 0 0 "[ . 1 . 2]" 1 979 1 48 LYS HB2 1 52 THR MG . . 5.150 4.705 4.387 4.905 . 0 0 "[ . 1 . 2]" 1 980 1 48 LYS HB2 1 60 TYR HB2 . . 5.500 2.738 2.353 3.697 . 0 0 "[ . 1 . 2]" 1 981 1 48 LYS HB2 1 60 TYR QD . . 5.460 3.720 2.492 4.144 . 0 0 "[ . 1 . 2]" 1 982 1 48 LYS HB3 1 48 LYS HE2 . . 4.530 2.829 2.560 2.959 . 0 0 "[ . 1 . 2]" 1 983 1 48 LYS HB3 1 49 ALA H . . 4.190 3.433 3.286 3.585 . 0 0 "[ . 1 . 2]" 1 984 1 48 LYS HB3 1 52 THR MG . . 4.960 3.362 2.999 3.567 . 0 0 "[ . 1 . 2]" 1 985 1 48 LYS HB3 1 60 TYR QD . . 5.500 2.954 1.688 3.267 . 0 0 "[ . 1 . 2]" 1 986 1 48 LYS HB3 1 60 TYR QE . . 5.130 3.914 2.561 4.312 . 0 0 "[ . 1 . 2]" 1 987 1 48 LYS HD2 1 51 ALA MB . . 3.370 3.410 3.226 3.518 0.148 13 0 "[ . 1 . 2]" 1 988 1 48 LYS HD2 1 60 TYR QE . . 5.500 5.470 4.165 5.679 0.179 1 0 "[ . 1 . 2]" 1 989 1 48 LYS HD3 1 60 TYR QE . . 5.500 5.378 4.759 5.586 0.086 10 0 "[ . 1 . 2]" 1 990 1 48 LYS HE2 1 48 LYS HG3 . . 3.910 2.515 2.455 2.562 . 0 0 "[ . 1 . 2]" 1 991 1 48 LYS HE2 1 52 THR MG . . 4.620 3.815 3.304 4.390 . 0 0 "[ . 1 . 2]" 1 992 1 48 LYS HE2 1 60 TYR QD . . 3.430 3.184 2.733 3.532 0.102 14 0 "[ . 1 . 2]" 1 993 1 48 LYS HE2 1 60 TYR QE . . 4.160 3.136 2.861 3.416 . 0 0 "[ . 1 . 2]" 1 994 1 48 LYS HE3 1 52 THR MG . . 3.980 2.548 2.104 2.990 . 0 0 "[ . 1 . 2]" 1 995 1 48 LYS HE3 1 60 TYR QE . . 4.490 3.474 1.793 3.781 . 0 0 "[ . 1 . 2]" 1 996 1 48 LYS HG3 1 49 ALA H . . 5.330 4.935 4.789 5.058 . 0 0 "[ . 1 . 2]" 1 997 1 48 LYS HG3 1 60 TYR QE . . 5.500 4.823 4.438 5.130 . 0 0 "[ . 1 . 2]" 1 998 1 49 ALA H 1 49 ALA MB . . 2.700 2.232 2.214 2.260 . 0 0 "[ . 1 . 2]" 1 999 1 49 ALA H 1 50 GLN H . . 3.010 2.781 2.650 2.857 . 0 0 "[ . 1 . 2]" 1 1000 1 49 ALA H 1 50 GLN HB2 . . 5.500 4.920 4.777 5.081 . 0 0 "[ . 1 . 2]" 1 1001 1 49 ALA H 1 50 GLN QG . . 5.500 4.589 4.375 4.740 . 0 0 "[ . 1 . 2]" 1 1002 1 49 ALA H 1 51 ALA H . . 4.030 4.010 3.880 4.083 0.053 6 0 "[ . 1 . 2]" 1 1003 1 49 ALA H 1 60 TYR QD . . 5.450 4.348 3.575 4.839 . 0 0 "[ . 1 . 2]" 1 1004 1 49 ALA HA 1 50 GLN H . . 3.530 3.538 3.499 3.562 0.032 13 0 "[ . 1 . 2]" 1 1005 1 49 ALA HA 1 52 THR H . . 5.130 3.830 3.555 4.472 . 0 0 "[ . 1 . 2]" 1 1006 1 49 ALA HA 1 52 THR MG . . 4.960 4.269 3.816 4.739 . 0 0 "[ . 1 . 2]" 1 1007 1 49 ALA HA 1 60 TYR QD . . 3.930 3.097 2.305 3.568 . 0 0 "[ . 1 . 2]" 1 1008 1 49 ALA HA 1 60 TYR QE . . 5.180 4.614 3.239 5.057 . 0 0 "[ . 1 . 2]" 1 1009 1 49 ALA MB 1 50 GLN H . . 3.190 2.589 2.435 2.785 . 0 0 "[ . 1 . 2]" 1 1010 1 49 ALA MB 1 50 GLN HA . . 4.600 3.995 3.917 4.079 . 0 0 "[ . 1 . 2]" 1 1011 1 49 ALA MB 1 50 GLN HB2 . . 4.880 4.491 4.319 4.636 . 0 0 "[ . 1 . 2]" 1 1012 1 49 ALA MB 1 50 GLN QG . . 4.080 3.140 3.005 3.307 . 0 0 "[ . 1 . 2]" 1 1013 1 49 ALA MB 1 51 ALA H . . 4.400 4.455 4.371 4.526 0.126 10 0 "[ . 1 . 2]" 1 1014 1 49 ALA MB 1 52 THR H . . 5.500 4.859 4.598 5.484 . 0 0 "[ . 1 . 2]" 1 1015 1 49 ALA MB 1 60 TYR H . . 4.480 3.472 2.750 4.020 . 0 0 "[ . 1 . 2]" 1 1016 1 49 ALA MB 1 60 TYR HB2 . . 4.670 3.365 2.545 3.762 . 0 0 "[ . 1 . 2]" 1 1017 1 49 ALA MB 1 60 TYR HB3 . . 5.160 4.795 3.786 5.222 0.062 9 0 "[ . 1 . 2]" 1 1018 1 49 ALA MB 1 60 TYR QD . . 4.120 3.951 2.843 4.225 0.105 4 0 "[ . 1 . 2]" 1 1019 1 50 GLN H 1 50 GLN HB2 . . 2.850 2.422 2.345 2.520 . 0 0 "[ . 1 . 2]" 1 1020 1 50 GLN H 1 50 GLN HB3 . . 3.730 3.611 3.581 3.632 . 0 0 "[ . 1 . 2]" 1 1021 1 50 GLN H 1 50 GLN HE21 . . 4.080 3.687 3.492 3.857 . 0 0 "[ . 1 . 2]" 1 1022 1 50 GLN H 1 50 GLN HE22 . . 5.500 5.228 5.044 5.433 . 0 0 "[ . 1 . 2]" 1 1023 1 50 GLN H 1 50 GLN QG . . 3.360 2.459 2.244 2.673 . 0 0 "[ . 1 . 2]" 1 1024 1 50 GLN H 1 51 ALA H . . 3.090 2.473 2.276 2.640 . 0 0 "[ . 1 . 2]" 1 1025 1 50 GLN HA 1 50 GLN QG . . 3.800 2.476 2.431 2.587 . 0 0 "[ . 1 . 2]" 1 1026 1 50 GLN HA 1 51 ALA H . . 3.560 3.518 3.452 3.550 . 0 0 "[ . 1 . 2]" 1 1027 1 50 GLN HA 1 52 THR H . . 5.230 4.289 3.860 5.208 . 0 0 "[ . 1 . 2]" 1 1028 1 50 GLN HB2 1 50 GLN HE21 . . 4.560 1.874 1.757 1.941 . 0 0 "[ . 1 . 2]" 1 1029 1 50 GLN HB2 1 51 ALA H . . 3.400 2.892 2.641 3.186 . 0 0 "[ . 1 . 2]" 1 1030 1 50 GLN HB2 1 52 THR H . . 5.500 5.167 4.868 5.601 0.101 10 0 "[ . 1 . 2]" 1 1031 1 50 GLN HB3 1 50 GLN HE21 . . 4.710 2.917 2.846 3.044 . 0 0 "[ . 1 . 2]" 1 1032 1 50 GLN QG 1 51 ALA H . . 4.340 4.248 4.096 4.366 0.026 14 0 "[ . 1 . 2]" 1 1033 1 51 ALA H 1 51 ALA MB . . 2.730 2.270 2.245 2.304 . 0 0 "[ . 1 . 2]" 1 1034 1 51 ALA H 1 52 THR H . . 3.150 2.547 2.393 2.737 . 0 0 "[ . 1 . 2]" 1 1035 1 51 ALA H 1 52 THR MG . . 5.170 4.022 3.894 4.134 . 0 0 "[ . 1 . 2]" 1 1036 1 51 ALA MB 1 52 THR H . . 3.420 2.754 2.109 3.265 . 0 0 "[ . 1 . 2]" 1 1037 1 51 ALA MB 1 52 THR MG . . 3.690 2.596 2.384 2.850 . 0 0 "[ . 1 . 2]" 1 1038 1 51 ALA MB 1 53 VAL QG . . 4.910 4.570 4.264 4.930 0.020 4 0 "[ . 1 . 2]" 1 1039 1 52 THR H 1 52 THR MG . . 3.520 2.572 1.949 2.956 . 0 0 "[ . 1 . 2]" 1 1040 1 52 THR H 1 53 VAL HA . . 5.500 4.897 4.474 5.221 . 0 0 "[ . 1 . 2]" 1 1041 1 52 THR H 1 53 VAL QG . . 4.410 3.729 3.136 4.167 . 0 0 "[ . 1 . 2]" 1 1042 1 52 THR HA 1 53 VAL H . . 2.810 2.648 2.234 2.974 0.164 9 0 "[ . 1 . 2]" 1 1043 1 52 THR MG 1 53 VAL H . . 4.430 4.358 4.248 4.441 0.011 1 0 "[ . 1 . 2]" 1 1044 1 52 THR MG 1 54 ASP H . . 5.340 5.100 4.808 5.434 0.094 20 0 "[ . 1 . 2]" 1 1045 1 52 THR MG 1 60 TYR QE . . 3.910 2.288 1.752 2.771 . 0 0 "[ . 1 . 2]" 1 1046 1 53 VAL H 1 53 VAL HB . . 3.660 2.899 2.474 3.680 0.020 14 0 "[ . 1 . 2]" 1 1047 1 53 VAL H 1 53 VAL QG . . 2.970 2.103 1.857 2.480 . 0 0 "[ . 1 . 2]" 1 1048 1 53 VAL H 1 54 ASP H . . 3.220 2.418 2.070 2.664 . 0 0 "[ . 1 . 2]" 1 1049 1 53 VAL H 1 55 ASN QB . . 5.340 5.041 4.419 5.394 0.054 10 0 "[ . 1 . 2]" 1 1050 1 53 VAL HA 1 53 VAL QG . . 3.100 2.232 2.192 2.305 . 0 0 "[ . 1 . 2]" 1 1051 1 53 VAL HA 1 54 ASP QB . . 5.340 5.292 5.122 5.490 0.150 16 0 "[ . 1 . 2]" 1 1052 1 53 VAL HA 1 55 ASN H . . 4.720 4.136 3.670 4.674 . 0 0 "[ . 1 . 2]" 1 1053 1 53 VAL HB 1 54 ASP H . . 3.820 3.134 2.441 3.903 0.083 7 0 "[ . 1 . 2]" 1 1054 1 53 VAL HB 1 55 ASN H . . 5.500 5.260 4.833 5.679 0.179 11 0 "[ . 1 . 2]" 1 1055 1 53 VAL QG 1 54 ASP H . . 3.940 3.061 2.300 3.523 . 0 0 "[ . 1 . 2]" 1 1056 1 53 VAL QG 1 54 ASP QB . . 4.830 4.173 3.076 4.875 0.045 10 0 "[ . 1 . 2]" 1 1057 1 53 VAL QG 1 55 ASN H . . 5.100 4.518 4.196 4.875 . 0 0 "[ . 1 . 2]" 1 1058 1 53 VAL MG1 1 54 ASP H . . 4.760 3.847 3.355 4.175 . 0 0 "[ . 1 . 2]" 1 1059 1 53 VAL MG2 1 54 ASP H . . 4.760 3.392 2.313 3.962 . 0 0 "[ . 1 . 2]" 1 1060 1 54 ASP H 1 54 ASP QB . . 3.000 2.331 2.202 2.486 . 0 0 "[ . 1 . 2]" 1 1061 1 54 ASP H 1 55 ASN QB . . 5.180 4.487 4.177 4.767 . 0 0 "[ . 1 . 2]" 1 1062 1 54 ASP QB 1 55 ASN H . . 3.240 2.733 2.399 3.082 . 0 0 "[ . 1 . 2]" 1 1063 1 55 ASN H 1 55 ASN HA . . 2.840 2.859 2.804 2.933 0.093 5 0 "[ . 1 . 2]" 1 1064 1 55 ASN H 1 55 ASN QB . . 3.270 2.278 2.063 2.449 . 0 0 "[ . 1 . 2]" 1 1065 1 55 ASN H 1 55 ASN HD21 . . 5.270 4.638 4.457 4.983 . 0 0 "[ . 1 . 2]" 1 1066 1 55 ASN H 1 55 ASN HD22 . . 5.500 5.266 4.542 5.773 0.273 16 0 "[ . 1 . 2]" 1 1067 1 55 ASN HA 1 55 ASN HD21 . . 3.860 2.850 1.931 3.880 0.020 13 0 "[ . 1 . 2]" 1 1068 1 55 ASN HA 1 55 ASN HD22 . . 4.170 3.813 3.413 4.343 0.173 13 0 "[ . 1 . 2]" 1 1069 1 55 ASN HA 1 56 ALA H . . 2.720 2.281 2.118 3.170 0.450 8 0 "[ . 1 . 2]" 1 1070 1 55 ASN HA 1 56 ALA MB . . 4.170 3.987 3.920 4.133 . 0 0 "[ . 1 . 2]" 1 1071 1 55 ASN QB 1 55 ASN HD21 . . 3.080 2.455 2.125 2.915 . 0 0 "[ . 1 . 2]" 1 1072 1 55 ASN QB 1 55 ASN HD22 . . 3.550 3.366 3.214 3.515 . 0 0 "[ . 1 . 2]" 1 1073 1 55 ASN QB 1 56 ALA H . . 3.990 3.232 2.527 3.975 . 0 0 "[ . 1 . 2]" 1 1074 1 55 ASN QB 1 58 ALA H . . 5.030 3.141 2.276 4.842 . 0 0 "[ . 1 . 2]" 1 1075 1 55 ASN QB 1 58 ALA MB . . 3.850 2.065 1.698 3.092 . 0 0 "[ . 1 . 2]" 1 1076 1 55 ASN HB2 1 56 ALA H . . 4.570 4.160 3.707 4.627 0.057 20 0 "[ . 1 . 2]" 1 1077 1 55 ASN HB2 1 58 ALA MB . . 4.570 3.053 2.133 4.219 . 0 0 "[ . 1 . 2]" 1 1078 1 55 ASN HB3 1 56 ALA H . . 4.570 3.421 2.571 4.436 . 0 0 "[ . 1 . 2]" 1 1079 1 55 ASN HB3 1 58 ALA MB . . 4.570 2.138 1.711 3.180 . 0 0 "[ . 1 . 2]" 1 1080 1 55 ASN HD21 1 58 ALA H . . 4.910 3.938 2.786 5.010 0.100 19 0 "[ . 1 . 2]" 1 1081 1 55 ASN HD21 1 58 ALA MB . . 4.470 2.553 1.802 3.858 . 0 0 "[ . 1 . 2]" 1 1082 1 55 ASN HD22 1 58 ALA H . . 5.500 5.161 4.260 5.629 0.129 3 0 "[ . 1 . 2]" 1 1083 1 55 ASN HD22 1 58 ALA MB . . 4.650 3.102 2.547 3.456 . 0 0 "[ . 1 . 2]" 1 1084 1 56 ALA H 1 56 ALA MB . . 2.890 2.271 2.189 2.755 . 0 0 "[ . 1 . 2]" 1 1085 1 56 ALA H 1 58 ALA H . . 5.120 3.973 3.270 4.714 . 0 0 "[ . 1 . 2]" 1 1086 1 56 ALA MB 1 57 HIS H . . 4.050 2.365 1.957 3.310 . 0 0 "[ . 1 . 2]" 1 1087 1 56 ALA MB 1 57 HIS HD2 . . 5.210 3.761 1.931 5.008 . 0 0 "[ . 1 . 2]" 1 1088 1 56 ALA MB 1 58 ALA H . . 4.580 4.153 3.833 4.637 0.057 16 0 "[ . 1 . 2]" 1 1089 1 57 HIS H 1 57 HIS HD2 . . 5.280 3.928 2.353 5.233 . 0 0 "[ . 1 . 2]" 1 1090 1 57 HIS H 1 58 ALA H . . 3.180 2.472 2.156 2.787 . 0 0 "[ . 1 . 2]" 1 1091 1 57 HIS H 1 58 ALA MB . . 4.620 3.957 3.547 4.515 . 0 0 "[ . 1 . 2]" 1 1092 1 57 HIS HA 1 57 HIS HD2 . . 3.600 3.001 2.442 3.661 0.061 2 0 "[ . 1 . 2]" 1 1093 1 57 HIS HA 1 58 ALA H . . 3.000 3.104 2.977 3.244 0.244 8 0 "[ . 1 . 2]" 1 1094 1 57 HIS HB2 1 58 ALA H . . 4.530 3.913 3.476 4.135 . 0 0 "[ . 1 . 2]" 1 1095 1 57 HIS HB3 1 58 ALA H . . 4.530 4.403 4.148 4.551 0.021 3 0 "[ . 1 . 2]" 1 1096 1 58 ALA H 1 58 ALA MB . . 2.730 2.311 2.244 2.359 . 0 0 "[ . 1 . 2]" 1 1097 1 58 ALA H 1 59 ARG H . . 4.640 4.219 4.077 4.490 . 0 0 "[ . 1 . 2]" 1 1098 1 58 ALA H 1 59 ARG QB . . 5.500 5.511 4.928 5.771 0.271 12 0 "[ . 1 . 2]" 1 1099 1 58 ALA H 1 60 TYR QE . . 5.500 5.110 4.740 5.550 0.050 3 0 "[ . 1 . 2]" 1 1100 1 58 ALA HA 1 59 ARG H . . 2.740 2.152 2.095 2.225 . 0 0 "[ . 1 . 2]" 1 1101 1 58 ALA MB 1 59 ARG H . . 3.430 3.443 3.159 3.581 0.151 11 0 "[ . 1 . 2]" 1 1102 1 58 ALA MB 1 60 TYR H . . 5.500 4.889 4.221 5.378 . 0 0 "[ . 1 . 2]" 1 1103 1 58 ALA MB 1 60 TYR QD . . 4.680 3.644 3.033 4.069 . 0 0 "[ . 1 . 2]" 1 1104 1 58 ALA MB 1 60 TYR QE . . 3.560 2.199 1.578 2.916 . 0 0 "[ . 1 . 2]" 1 1105 1 59 ARG H 1 59 ARG QB . . 3.180 2.451 2.256 2.731 . 0 0 "[ . 1 . 2]" 1 1106 1 59 ARG H 1 59 ARG QD . . 4.350 3.569 2.635 4.342 . 0 0 "[ . 1 . 2]" 1 1107 1 59 ARG H 1 59 ARG QG . . 4.590 3.646 2.529 4.344 . 0 0 "[ . 1 . 2]" 1 1108 1 59 ARG H 1 60 TYR H . . 4.380 4.217 3.594 4.447 0.067 6 0 "[ . 1 . 2]" 1 1109 1 59 ARG H 1 60 TYR HA . . 5.330 4.855 4.323 5.084 . 0 0 "[ . 1 . 2]" 1 1110 1 59 ARG HA 1 59 ARG HD2 . . 3.800 2.570 1.890 3.232 . 0 0 "[ . 1 . 2]" 1 1111 1 59 ARG HA 1 59 ARG HD3 . . 3.800 3.165 2.023 3.946 0.146 14 0 "[ . 1 . 2]" 1 1112 1 59 ARG HA 1 59 ARG QG . . 3.940 2.737 2.452 3.236 . 0 0 "[ . 1 . 2]" 1 1113 1 59 ARG HA 1 60 TYR H . . 2.810 2.143 2.094 2.190 . 0 0 "[ . 1 . 2]" 1 1114 1 59 ARG HA 1 60 TYR QD . . 4.310 3.401 2.725 4.187 . 0 0 "[ . 1 . 2]" 1 1115 1 59 ARG QB 1 59 ARG HD2 . . 3.370 2.801 2.374 3.099 . 0 0 "[ . 1 . 2]" 1 1116 1 59 ARG QB 1 59 ARG HD3 . . 3.370 2.737 2.401 3.567 0.197 13 0 "[ . 1 . 2]" 1 1117 1 59 ARG QB 1 59 ARG QG . . 2.400 2.011 1.994 2.022 . 0 0 "[ . 1 . 2]" 1 1118 1 59 ARG QB 1 60 TYR H . . 3.760 3.512 3.019 3.964 0.204 20 0 "[ . 1 . 2]" 1 1119 1 59 ARG QD 1 60 TYR H . . 4.410 3.952 2.754 4.603 0.193 2 0 "[ . 1 . 2]" 1 1120 1 59 ARG QG 1 60 TYR H . . 5.050 4.137 2.975 4.983 . 0 0 "[ . 1 . 2]" 1 1121 1 60 TYR H 1 60 TYR HB2 . . 3.310 2.486 2.301 2.598 . 0 0 "[ . 1 . 2]" 1 1122 1 60 TYR H 1 60 TYR QD . . 3.300 2.467 2.034 3.230 . 0 0 "[ . 1 . 2]" 1 1123 1 60 TYR H 1 60 TYR QE . . 4.650 4.525 4.243 4.812 0.162 3 0 "[ . 1 . 2]" 1 1124 1 60 TYR H 1 61 PHE H . . 4.770 4.301 3.931 4.525 . 0 0 "[ . 1 . 2]" 1 1125 1 60 TYR HA 1 60 TYR QD . . 4.000 2.973 2.003 3.175 . 0 0 "[ . 1 . 2]" 1 1126 1 60 TYR HA 1 61 PHE H . . 2.940 2.113 2.074 2.219 . 0 0 "[ . 1 . 2]" 1 1127 1 60 TYR HB2 1 61 PHE H . . 4.860 4.297 3.964 4.571 . 0 0 "[ . 1 . 2]" 1 1128 1 60 TYR HB3 1 61 PHE H . . 4.320 3.489 2.886 4.169 . 0 0 "[ . 1 . 2]" 1 1129 1 60 TYR QD 1 61 PHE H . . 5.070 4.377 3.926 4.786 . 0 0 "[ . 1 . 2]" 1 1130 1 61 PHE H 1 61 PHE HB2 . . 4.050 2.588 2.384 2.769 . 0 0 "[ . 1 . 2]" 1 1131 1 61 PHE H 1 61 PHE QB . . 3.240 2.542 2.352 2.711 . 0 0 "[ . 1 . 2]" 1 1132 1 61 PHE H 1 61 PHE HB3 . . 4.050 3.733 3.602 3.859 . 0 0 "[ . 1 . 2]" 1 1133 1 61 PHE H 1 61 PHE QD . . 3.640 3.169 2.575 3.624 . 0 0 "[ . 1 . 2]" 1 1134 1 61 PHE H 1 62 ILE H . . 5.230 4.292 4.144 4.415 . 0 0 "[ . 1 . 2]" 1 1135 1 61 PHE H 2 68 LEU QD . . 5.440 3.856 3.289 4.863 . 0 0 "[ . 1 . 2]" 1 1136 1 61 PHE HA 1 62 ILE H . . 3.030 2.799 2.621 3.042 0.012 13 0 "[ . 1 . 2]" 1 1137 1 61 PHE HA 1 62 ILE HB . . 5.370 5.087 4.940 5.197 . 0 0 "[ . 1 . 2]" 1 1138 1 61 PHE HA 1 62 ILE HG13 . . 5.450 3.206 2.875 3.419 . 0 0 "[ . 1 . 2]" 1 1139 1 61 PHE QB 1 62 ILE H . . 3.180 1.850 1.661 2.049 . 0 0 "[ . 1 . 2]" 1 1140 1 61 PHE QB 2 68 LEU HA . . 4.620 3.990 3.591 4.581 . 0 0 "[ . 1 . 2]" 1 1141 1 61 PHE QB 2 68 LEU QB . . 3.720 2.017 1.864 2.346 . 0 0 "[ . 1 . 2]" 1 1142 1 61 PHE QB 2 68 LEU QD . . 3.130 2.053 1.729 2.679 . 0 0 "[ . 1 . 2]" 1 1143 1 61 PHE QB 2 68 LEU HG . . 5.240 3.468 2.452 4.281 . 0 0 "[ . 1 . 2]" 1 1144 1 61 PHE QB 2 69 LEU H . . 4.200 3.622 3.327 4.073 . 0 0 "[ . 1 . 2]" 1 1145 1 61 PHE HB2 1 62 ILE H . . 3.800 2.949 2.631 3.180 . 0 0 "[ . 1 . 2]" 1 1146 1 61 PHE HB2 2 68 LEU HA . . 5.500 4.722 4.091 5.072 . 0 0 "[ . 1 . 2]" 1 1147 1 61 PHE HB2 2 68 LEU MD1 . . 5.010 2.140 1.742 2.938 . 0 0 "[ . 1 . 2]" 1 1148 1 61 PHE HB2 2 68 LEU MD2 . . 5.010 3.802 2.476 4.632 . 0 0 "[ . 1 . 2]" 1 1149 1 61 PHE HB3 1 62 ILE H . . 3.800 1.870 1.673 2.080 . 0 0 "[ . 1 . 2]" 1 1150 1 61 PHE HB3 2 68 LEU HA . . 5.500 4.323 3.930 5.249 . 0 0 "[ . 1 . 2]" 1 1151 1 61 PHE HB3 2 68 LEU MD1 . . 5.010 3.087 2.682 3.431 . 0 0 "[ . 1 . 2]" 1 1152 1 61 PHE HB3 2 68 LEU MD2 . . 5.010 4.278 3.126 5.052 0.042 8 0 "[ . 1 . 2]" 1 1153 1 61 PHE QD 1 62 ILE H . . 4.320 3.756 3.578 4.038 . 0 0 "[ . 1 . 2]" 1 1154 1 61 PHE QD 2 68 LEU QB . . 4.200 3.004 2.123 3.642 . 0 0 "[ . 1 . 2]" 1 1155 1 61 PHE QD 2 68 LEU MD1 . . 4.290 2.716 1.796 3.586 . 0 0 "[ . 1 . 2]" 1 1156 1 61 PHE QD 2 68 LEU QD . . 3.680 2.640 1.795 3.298 . 0 0 "[ . 1 . 2]" 1 1157 1 61 PHE QD 2 68 LEU MD2 . . 4.290 4.068 3.706 4.433 0.143 20 0 "[ . 1 . 2]" 1 1158 1 61 PHE QD 2 69 LEU H . . 5.170 5.227 4.922 5.320 0.150 20 0 "[ . 1 . 2]" 1 1159 1 61 PHE QD 2 70 ASP H . . 5.500 4.472 3.669 5.414 . 0 0 "[ . 1 . 2]" 1 1160 1 62 ILE H 1 62 ILE HB . . 3.270 2.920 2.833 3.027 . 0 0 "[ . 1 . 2]" 1 1161 1 62 ILE H 1 62 ILE MD . . 4.070 4.005 3.777 4.233 0.163 3 0 "[ . 1 . 2]" 1 1162 1 62 ILE H 1 62 ILE HG12 . . 3.920 3.796 3.622 3.937 0.017 9 0 "[ . 1 . 2]" 1 1163 1 62 ILE H 1 62 ILE HG13 . . 3.700 2.635 2.379 2.900 . 0 0 "[ . 1 . 2]" 1 1164 1 62 ILE H 1 62 ILE MG . . 4.040 3.983 3.945 4.036 . 0 0 "[ . 1 . 2]" 1 1165 1 62 ILE H 1 63 ILE H . . 4.620 4.431 4.347 4.486 . 0 0 "[ . 1 . 2]" 1 1166 1 62 ILE H 2 68 LEU HA . . 4.860 4.572 3.924 4.901 0.041 14 0 "[ . 1 . 2]" 1 1167 1 62 ILE H 2 68 LEU QB . . 4.920 3.172 2.770 3.701 . 0 0 "[ . 1 . 2]" 1 1168 1 62 ILE H 2 68 LEU QD . . 4.260 3.637 3.201 4.188 . 0 0 "[ . 1 . 2]" 1 1169 1 62 ILE H 2 68 LEU HG . . 5.500 5.521 4.811 5.932 0.432 9 0 "[ . 1 . 2]" 1 1170 1 62 ILE H 2 69 LEU HB2 . . 3.970 3.598 3.140 4.028 0.058 9 0 "[ . 1 . 2]" 1 1171 1 62 ILE HA 1 62 ILE MD . . 4.440 4.035 3.968 4.106 . 0 0 "[ . 1 . 2]" 1 1172 1 62 ILE HA 1 62 ILE HG12 . . 4.190 2.892 2.760 3.025 . 0 0 "[ . 1 . 2]" 1 1173 1 62 ILE HA 1 62 ILE HG13 . . 4.120 3.320 3.247 3.378 . 0 0 "[ . 1 . 2]" 1 1174 1 62 ILE HA 1 62 ILE MG . . 3.310 2.320 2.278 2.373 . 0 0 "[ . 1 . 2]" 1 1175 1 62 ILE HA 1 63 ILE H . . 2.910 2.368 2.305 2.458 . 0 0 "[ . 1 . 2]" 1 1176 1 62 ILE HA 1 63 ILE HB . . 5.240 4.627 3.924 4.961 . 0 0 "[ . 1 . 2]" 1 1177 1 62 ILE HA 1 63 ILE QG . . 5.040 4.092 3.647 5.223 0.183 7 0 "[ . 1 . 2]" 1 1178 1 62 ILE HB 1 62 ILE MD . . 3.190 2.431 2.387 2.490 . 0 0 "[ . 1 . 2]" 1 1179 1 62 ILE HB 1 63 ILE H . . 5.500 3.633 3.453 3.857 . 0 0 "[ . 1 . 2]" 1 1180 1 62 ILE HB 2 69 LEU H . . 3.990 3.812 3.182 4.118 0.128 11 0 "[ . 1 . 2]" 1 1181 1 62 ILE HB 2 69 LEU HB2 . . 3.280 2.062 1.562 2.452 . 0 0 "[ . 1 . 2]" 1 1182 1 62 ILE MD 1 62 ILE MG . . 2.750 2.023 1.972 2.098 . 0 0 "[ . 1 . 2]" 1 1183 1 62 ILE MD 1 63 ILE H . . 5.140 4.979 4.769 5.147 0.007 2 0 "[ . 1 . 2]" 1 1184 1 62 ILE HG12 1 62 ILE MG . . 3.130 2.405 2.366 2.450 . 0 0 "[ . 1 . 2]" 1 1185 1 62 ILE HG12 1 63 ILE H . . 5.190 4.745 4.530 4.913 . 0 0 "[ . 1 . 2]" 1 1186 1 62 ILE HG13 1 62 ILE MG . . 3.670 3.236 3.218 3.244 . 0 0 "[ . 1 . 2]" 1 1187 1 62 ILE MG 1 63 ILE H . . 3.160 2.163 1.900 2.418 . 0 0 "[ . 1 . 2]" 1 1188 1 62 ILE MG 1 63 ILE HA . . 4.000 3.786 3.641 4.028 0.028 1 0 "[ . 1 . 2]" 1 1189 1 62 ILE MG 2 69 LEU HB2 . . 4.710 3.309 3.038 3.537 . 0 0 "[ . 1 . 2]" 1 1190 1 63 ILE H 1 63 ILE HB . . 3.210 2.821 2.587 2.961 . 0 0 "[ . 1 . 2]" 1 1191 1 63 ILE H 1 63 ILE MD . . 5.350 4.493 4.248 4.813 . 0 0 "[ . 1 . 2]" 1 1192 1 63 ILE H 1 63 ILE QG . . 4.660 3.302 2.909 4.132 . 0 0 "[ . 1 . 2]" 1 1193 1 63 ILE H 1 64 HIS H . . 4.510 4.325 4.239 4.465 . 0 0 "[ . 1 . 2]" 1 1194 1 63 ILE H 2 69 LEU HB2 . . 5.500 4.374 4.057 4.820 . 0 0 "[ . 1 . 2]" 1 1195 1 63 ILE HA 1 63 ILE MD . . 3.960 3.854 3.748 3.950 . 0 0 "[ . 1 . 2]" 1 1196 1 63 ILE HA 1 63 ILE HG12 . . 4.040 2.538 2.316 2.721 . 0 0 "[ . 1 . 2]" 1 1197 1 63 ILE HA 1 63 ILE HG13 . . 4.040 3.039 2.379 3.245 . 0 0 "[ . 1 . 2]" 1 1198 1 63 ILE HA 1 64 HIS H . . 3.070 2.207 2.091 2.318 . 0 0 "[ . 1 . 2]" 1 1199 1 63 ILE HA 1 64 HIS QB . . 4.720 4.482 4.382 4.655 . 0 0 "[ . 1 . 2]" 1 1200 1 63 ILE HA 1 64 HIS HD2 . . 5.500 3.926 2.893 4.887 . 0 0 "[ . 1 . 2]" 1 1201 1 63 ILE HA 2 68 LEU QD . . 4.520 4.022 3.352 4.493 . 0 0 "[ . 1 . 2]" 1 1202 1 63 ILE HA 2 69 LEU H . . 4.570 3.204 2.973 3.584 . 0 0 "[ . 1 . 2]" 1 1203 1 63 ILE HA 2 69 LEU MD1 . . 5.000 2.772 1.589 3.664 . 0 0 "[ . 1 . 2]" 1 1204 1 63 ILE HA 2 69 LEU QD . . 4.290 2.723 1.584 3.569 . 0 0 "[ . 1 . 2]" 1 1205 1 63 ILE HA 2 69 LEU MD2 . . 5.000 4.090 3.076 4.918 . 0 0 "[ . 1 . 2]" 1 1206 1 63 ILE HB 1 63 ILE MD . . 2.980 2.511 2.445 2.589 . 0 0 "[ . 1 . 2]" 1 1207 1 63 ILE MD 1 64 HIS H . . 4.720 4.778 4.426 4.915 0.195 4 0 "[ . 1 . 2]" 1 1208 1 63 ILE MD 2 9 ILE H . . 5.090 4.639 4.153 4.979 . 0 0 "[ . 1 . 2]" 1 1209 1 63 ILE MD 2 9 ILE MD . . 2.710 2.134 1.895 2.447 . 0 0 "[ . 1 . 2]" 1 1210 1 63 ILE MD 2 9 ILE HG13 . . 5.230 4.000 3.402 4.610 . 0 0 "[ . 1 . 2]" 1 1211 1 63 ILE MD 2 64 HIS QB . . 5.340 5.229 4.831 5.477 0.137 18 0 "[ . 1 . 2]" 1 1212 1 63 ILE MD 2 65 ALA H . . 4.560 4.271 3.805 4.640 0.080 12 0 "[ . 1 . 2]" 1 1213 1 63 ILE MD 2 65 ALA HA . . 3.280 2.396 2.068 2.736 . 0 0 "[ . 1 . 2]" 1 1214 1 63 ILE MD 2 65 ALA MB . . 3.180 2.512 2.213 3.042 . 0 0 "[ . 1 . 2]" 1 1215 1 63 ILE MD 2 68 LEU QD . . 3.120 2.216 1.919 2.575 . 0 0 "[ . 1 . 2]" 1 1216 1 63 ILE MD 2 68 LEU HG . . 5.500 4.570 4.100 4.982 . 0 0 "[ . 1 . 2]" 1 1217 1 63 ILE QG 2 68 LEU HA . . 4.380 2.820 2.472 3.410 . 0 0 "[ . 1 . 2]" 1 1218 1 63 ILE QG 2 68 LEU QD . . 3.530 2.065 1.759 2.313 . 0 0 "[ . 1 . 2]" 1 1219 1 63 ILE HG12 2 68 LEU HA . . 5.020 2.993 2.514 4.470 . 0 0 "[ . 1 . 2]" 1 1220 1 63 ILE HG13 2 68 LEU HA . . 5.020 3.785 3.077 4.432 . 0 0 "[ . 1 . 2]" 1 1221 1 64 HIS H 1 64 HIS HB2 . . 3.870 3.581 2.651 3.686 . 0 0 "[ . 1 . 2]" 1 1222 1 64 HIS H 1 64 HIS QB . . 3.380 2.670 2.536 2.852 . 0 0 "[ . 1 . 2]" 1 1223 1 64 HIS H 1 64 HIS HB3 . . 3.870 2.799 2.587 3.616 . 0 0 "[ . 1 . 2]" 1 1224 1 64 HIS H 1 64 HIS HD2 . . 5.480 2.490 1.871 3.261 . 0 0 "[ . 1 . 2]" 1 1225 1 64 HIS H 1 65 ALA H . . 5.420 4.445 4.219 4.632 . 0 0 "[ . 1 . 2]" 1 1226 1 64 HIS H 2 69 LEU QD . . 4.170 2.404 2.029 3.499 . 0 0 "[ . 1 . 2]" 1 1227 1 64 HIS H 2 69 LEU HG . . 5.050 3.261 2.690 4.568 . 0 0 "[ . 1 . 2]" 1 1228 1 64 HIS HA 1 64 HIS HD2 . . 5.060 4.502 3.973 4.829 . 0 0 "[ . 1 . 2]" 1 1229 1 64 HIS HA 1 65 ALA H . . 2.850 2.167 2.121 2.253 . 0 0 "[ . 1 . 2]" 1 1230 1 64 HIS HA 2 69 LEU QD . . 4.100 3.038 2.492 3.247 . 0 0 "[ . 1 . 2]" 1 1231 1 64 HIS QB 1 65 ALA H . . 3.900 3.383 3.014 3.676 . 0 0 "[ . 1 . 2]" 1 1232 1 64 HIS QB 2 63 ILE MD . . 5.340 5.169 4.237 5.415 0.075 2 0 "[ . 1 . 2]" 1 1233 1 64 HIS QB 2 69 LEU QD . . 4.180 2.132 1.812 3.530 . 0 0 "[ . 1 . 2]" 1 1234 1 64 HIS HB2 1 65 ALA H . . 4.650 3.579 3.089 4.243 . 0 0 "[ . 1 . 2]" 1 1235 1 64 HIS HB3 1 65 ALA H . . 4.650 4.262 3.600 4.444 . 0 0 "[ . 1 . 2]" 1 1236 1 64 HIS HD2 2 69 LEU QD . . 3.200 2.341 1.814 3.254 0.054 19 0 "[ . 1 . 2]" 1 1237 1 65 ALA H 1 65 ALA MB . . 3.050 2.355 2.274 2.614 . 0 0 "[ . 1 . 2]" 1 1238 1 65 ALA H 2 63 ILE MD . . 4.560 4.192 3.764 4.467 . 0 0 "[ . 1 . 2]" 1 1239 1 65 ALA H 2 69 LEU QD . . 5.440 4.736 4.213 4.937 . 0 0 "[ . 1 . 2]" 1 1240 1 65 ALA HA 2 63 ILE MD . . 3.280 2.278 1.964 2.622 . 0 0 "[ . 1 . 2]" 1 1241 1 65 ALA MB 1 67 LYS H . . 5.100 4.969 4.542 5.442 0.342 8 0 "[ . 1 . 2]" 1 1242 1 65 ALA MB 2 63 ILE MD . . 3.180 2.587 2.133 3.038 . 0 0 "[ . 1 . 2]" 1 1243 1 66 HIS H 1 67 LYS H . . 4.240 2.579 2.028 4.354 0.114 8 0 "[ . 1 . 2]" 1 1244 1 66 HIS H 1 67 LYS QB . . 5.340 4.529 3.960 5.322 . 0 0 "[ . 1 . 2]" 1 1245 1 66 HIS HA 1 66 HIS HE1 . . 5.080 5.014 4.708 5.262 0.182 9 0 "[ . 1 . 2]" 1 1246 1 66 HIS QB 1 66 HIS HE1 . . 4.670 4.474 4.386 4.646 . 0 0 "[ . 1 . 2]" 1 1247 1 66 HIS QB 1 67 LYS QB . . 5.180 3.728 3.530 4.107 . 0 0 "[ . 1 . 2]" 1 1248 1 66 HIS HB2 1 67 LYS H . . 4.050 3.854 3.567 4.310 0.260 16 0 "[ . 1 . 2]" 1 1249 1 66 HIS HB3 1 67 LYS H . . 4.050 2.793 2.234 4.137 0.087 16 0 "[ . 1 . 2]" 1 1250 1 67 LYS H 1 67 LYS HB2 . . 3.900 3.062 2.748 3.330 . 0 0 "[ . 1 . 2]" 1 1251 1 67 LYS H 1 67 LYS QB . . 3.420 2.546 2.305 3.087 . 0 0 "[ . 1 . 2]" 1 1252 1 67 LYS H 1 67 LYS HB3 . . 3.900 2.749 2.467 3.720 . 0 0 "[ . 1 . 2]" 1 1253 1 67 LYS H 1 67 LYS QG . . 4.530 4.138 4.010 4.605 0.075 8 0 "[ . 1 . 2]" 1 1254 1 67 LYS H 1 68 LEU H . . 4.410 3.995 3.240 4.307 . 0 0 "[ . 1 . 2]" 1 1255 1 67 LYS HA 1 67 LYS QD . . 4.320 3.456 2.003 4.199 . 0 0 "[ . 1 . 2]" 1 1256 1 67 LYS HA 1 67 LYS QG . . 3.390 2.657 2.410 3.124 . 0 0 "[ . 1 . 2]" 1 1257 1 67 LYS HA 1 68 LEU H . . 2.710 2.155 2.084 2.238 . 0 0 "[ . 1 . 2]" 1 1258 1 67 LYS HB2 1 68 LEU H . . 4.580 4.447 4.240 4.589 0.009 16 0 "[ . 1 . 2]" 1 1259 1 67 LYS HB3 1 68 LEU H . . 4.580 4.400 4.191 4.524 . 0 0 "[ . 1 . 2]" 1 1260 1 67 LYS QD 1 68 LEU H . . 5.500 4.487 2.545 5.516 0.016 17 0 "[ . 1 . 2]" 1 1261 1 67 LYS QD 1 69 LEU QD . . 4.790 4.070 2.443 4.850 0.060 20 0 "[ . 1 . 2]" 1 1262 1 67 LYS QE 1 67 LYS QG . . 3.190 2.275 2.147 2.434 . 0 0 "[ . 1 . 2]" 1 1263 1 67 LYS QE 1 68 LEU H . . 5.500 5.045 3.985 5.701 0.201 12 0 "[ . 1 . 2]" 1 1264 1 67 LYS QE 1 69 LEU QD . . 3.710 3.057 2.103 3.826 0.116 5 0 "[ . 1 . 2]" 1 1265 1 67 LYS QG 1 68 LEU H . . 4.050 3.439 2.811 4.124 0.074 15 0 "[ . 1 . 2]" 1 1266 1 67 LYS QG 1 69 LEU QD . . 4.140 3.377 2.750 4.195 0.055 16 0 "[ . 1 . 2]" 1 1267 1 68 LEU H 1 68 LEU HB2 . . 3.870 2.420 2.220 2.608 . 0 0 "[ . 1 . 2]" 1 1268 1 68 LEU H 1 68 LEU QB . . 3.080 2.384 2.197 2.561 . 0 0 "[ . 1 . 2]" 1 1269 1 68 LEU H 1 68 LEU HB3 . . 3.870 3.606 3.501 3.748 . 0 0 "[ . 1 . 2]" 1 1270 1 68 LEU H 1 68 LEU MD1 . . 4.430 3.736 3.134 4.087 . 0 0 "[ . 1 . 2]" 1 1271 1 68 LEU H 1 68 LEU QD . . 3.750 2.577 1.841 3.548 . 0 0 "[ . 1 . 2]" 1 1272 1 68 LEU H 1 68 LEU MD2 . . 4.430 2.702 1.854 3.925 . 0 0 "[ . 1 . 2]" 1 1273 1 68 LEU H 1 68 LEU HG . . 3.630 3.459 2.345 3.997 0.367 12 0 "[ . 1 . 2]" 1 1274 1 68 LEU H 1 69 LEU H . . 4.900 4.505 4.278 4.611 . 0 0 "[ . 1 . 2]" 1 1275 1 68 LEU HA 1 68 LEU MD1 . . 3.900 2.889 2.123 3.984 0.084 7 0 "[ . 1 . 2]" 1 1276 1 68 LEU HA 1 68 LEU QD . . 2.970 2.105 1.953 2.243 . 0 0 "[ . 1 . 2]" 1 1277 1 68 LEU HA 1 68 LEU MD2 . . 3.900 2.627 1.959 3.417 . 0 0 "[ . 1 . 2]" 1 1278 1 68 LEU HA 1 68 LEU HG . . 3.800 3.540 2.955 3.836 0.036 20 0 "[ . 1 . 2]" 1 1279 1 68 LEU HA 1 69 LEU H . . 3.010 2.260 2.118 2.578 . 0 0 "[ . 1 . 2]" 1 1280 1 68 LEU HA 2 61 PHE HB2 . . 5.500 4.685 4.029 5.171 . 0 0 "[ . 1 . 2]" 1 1281 1 68 LEU HA 2 61 PHE QB . . 4.620 3.952 3.639 4.284 . 0 0 "[ . 1 . 2]" 1 1282 1 68 LEU HA 2 61 PHE HB3 . . 5.500 4.281 3.819 4.797 . 0 0 "[ . 1 . 2]" 1 1283 1 68 LEU HA 2 62 ILE H . . 4.860 4.560 3.905 4.996 0.136 11 0 "[ . 1 . 2]" 1 1284 1 68 LEU HA 2 63 ILE HG12 . . 5.020 3.092 2.291 4.752 . 0 0 "[ . 1 . 2]" 1 1285 1 68 LEU HA 2 63 ILE QG . . 4.380 2.794 2.275 3.143 . 0 0 "[ . 1 . 2]" 1 1286 1 68 LEU HA 2 63 ILE HG13 . . 5.020 3.757 2.931 4.441 . 0 0 "[ . 1 . 2]" 1 1287 1 68 LEU QB 1 68 LEU QD . . 2.540 2.066 1.989 2.117 . 0 0 "[ . 1 . 2]" 1 1288 1 68 LEU QB 1 69 LEU H . . 3.940 2.856 2.037 3.292 . 0 0 "[ . 1 . 2]" 1 1289 1 68 LEU QB 2 21 VAL QG . . 4.140 3.004 2.095 3.749 . 0 0 "[ . 1 . 2]" 1 1290 1 68 LEU QB 2 61 PHE QB . . 3.720 1.998 1.823 2.253 . 0 0 "[ . 1 . 2]" 1 1291 1 68 LEU QB 2 61 PHE QD . . 4.200 3.050 2.487 3.529 . 0 0 "[ . 1 . 2]" 1 1292 1 68 LEU QB 2 62 ILE H . . 4.920 3.199 2.735 3.581 . 0 0 "[ . 1 . 2]" 1 1293 1 68 LEU QD 1 69 LEU H . . 4.730 3.450 3.121 3.743 . 0 0 "[ . 1 . 2]" 1 1294 1 68 LEU QD 2 21 VAL HA . . 5.300 4.552 3.669 5.097 . 0 0 "[ . 1 . 2]" 1 1295 1 68 LEU QD 2 21 VAL HB . . 4.340 4.066 3.286 4.430 0.090 1 0 "[ . 1 . 2]" 1 1296 1 68 LEU QD 2 21 VAL QG . . 2.720 1.910 1.583 2.249 . 0 0 "[ . 1 . 2]" 1 1297 1 68 LEU QD 2 61 PHE H . . 5.440 4.029 3.035 5.040 . 0 0 "[ . 1 . 2]" 1 1298 1 68 LEU QD 2 61 PHE QB . . 3.130 2.175 1.698 3.028 . 0 0 "[ . 1 . 2]" 1 1299 1 68 LEU QD 2 61 PHE QD . . 3.680 2.810 1.835 3.397 . 0 0 "[ . 1 . 2]" 1 1300 1 68 LEU QD 2 62 ILE H . . 4.260 3.726 3.067 4.264 0.004 20 0 "[ . 1 . 2]" 1 1301 1 68 LEU QD 2 63 ILE HA . . 4.520 3.996 3.325 4.532 0.012 5 0 "[ . 1 . 2]" 1 1302 1 68 LEU QD 2 63 ILE MD . . 3.120 2.268 2.009 2.529 . 0 0 "[ . 1 . 2]" 1 1303 1 68 LEU QD 2 63 ILE QG . . 3.530 2.076 1.846 2.365 . 0 0 "[ . 1 . 2]" 1 1304 1 68 LEU MD1 2 61 PHE HB2 . . 5.010 2.308 1.712 3.246 . 0 0 "[ . 1 . 2]" 1 1305 1 68 LEU MD1 2 61 PHE HB3 . . 5.010 3.172 2.322 4.164 . 0 0 "[ . 1 . 2]" 1 1306 1 68 LEU MD1 2 61 PHE QD . . 4.290 2.945 1.840 3.954 . 0 0 "[ . 1 . 2]" 1 1307 1 68 LEU MD2 2 61 PHE HB2 . . 5.010 3.855 2.280 5.023 0.013 10 0 "[ . 1 . 2]" 1 1308 1 68 LEU MD2 2 61 PHE HB3 . . 5.010 4.290 3.036 4.980 . 0 0 "[ . 1 . 2]" 1 1309 1 68 LEU MD2 2 61 PHE QD . . 4.290 4.052 3.357 4.441 0.151 3 0 "[ . 1 . 2]" 1 1310 1 68 LEU HG 1 69 LEU H . . 5.500 5.040 4.427 5.416 . 0 0 "[ . 1 . 2]" 1 1311 1 68 LEU HG 2 21 VAL MG1 . . 4.960 3.673 2.396 5.044 0.084 9 0 "[ . 1 . 2]" 1 1312 1 68 LEU HG 2 21 VAL MG2 . . 4.960 4.013 2.281 5.088 0.128 4 0 "[ . 1 . 2]" 1 1313 1 68 LEU HG 2 61 PHE QB . . 5.240 3.350 2.491 4.217 . 0 0 "[ . 1 . 2]" 1 1314 1 68 LEU HG 2 62 ILE H . . 5.500 5.455 4.924 5.829 0.329 3 0 "[ . 1 . 2]" 1 1315 1 68 LEU HG 2 63 ILE MD . . 5.500 4.602 3.813 5.066 . 0 0 "[ . 1 . 2]" 1 1316 1 69 LEU H 1 69 LEU HB2 . . 3.640 2.488 2.331 2.649 . 0 0 "[ . 1 . 2]" 1 1317 1 69 LEU H 1 69 LEU HB3 . . 3.900 3.634 3.574 3.780 . 0 0 "[ . 1 . 2]" 1 1318 1 69 LEU H 1 69 LEU MD1 . . 4.380 3.564 2.189 4.205 . 0 0 "[ . 1 . 2]" 1 1319 1 69 LEU H 1 69 LEU QD . . 3.790 3.048 2.179 3.635 . 0 0 "[ . 1 . 2]" 1 1320 1 69 LEU H 1 69 LEU MD2 . . 4.380 3.517 3.166 3.989 . 0 0 "[ . 1 . 2]" 1 1321 1 69 LEU H 1 69 LEU HG . . 4.510 2.740 2.197 3.966 . 0 0 "[ . 1 . 2]" 1 1322 1 69 LEU H 1 70 ASP H . . 4.470 3.931 2.529 4.578 0.108 7 0 "[ . 1 . 2]" 1 1323 1 69 LEU H 2 61 PHE QB . . 4.200 3.585 3.129 4.053 . 0 0 "[ . 1 . 2]" 1 1324 1 69 LEU H 2 61 PHE QD . . 5.170 5.172 4.247 5.360 0.190 5 0 "[ . 1 . 2]" 1 1325 1 69 LEU H 2 62 ILE HB . . 3.990 3.815 3.155 4.127 0.137 14 0 "[ . 1 . 2]" 1 1326 1 69 LEU H 2 63 ILE HA . . 4.570 3.196 2.838 3.711 . 0 0 "[ . 1 . 2]" 1 1327 1 69 LEU HA 1 69 LEU QD . . 2.930 2.185 1.993 2.762 . 0 0 "[ . 1 . 2]" 1 1328 1 69 LEU HA 1 69 LEU HG . . 4.180 3.119 2.576 3.290 . 0 0 "[ . 1 . 2]" 1 1329 1 69 LEU HA 1 70 ASP H . . 2.640 2.276 2.140 2.746 0.106 10 0 "[ . 1 . 2]" 1 1330 1 69 LEU HB2 1 70 ASP H . . 4.560 4.403 4.010 4.569 0.009 5 0 "[ . 1 . 2]" 1 1331 1 69 LEU HB2 2 38 TYR QE . . 5.500 5.177 4.480 5.553 0.053 12 0 "[ . 1 . 2]" 1 1332 1 69 LEU HB2 2 62 ILE H . . 3.970 3.577 3.017 4.078 0.108 9 0 "[ . 1 . 2]" 1 1333 1 69 LEU HB2 2 62 ILE HB . . 3.280 2.099 1.608 2.502 . 0 0 "[ . 1 . 2]" 1 1334 1 69 LEU HB2 2 62 ILE MG . . 4.710 3.328 2.852 3.657 . 0 0 "[ . 1 . 2]" 1 1335 1 69 LEU HB2 2 63 ILE H . . 5.500 4.358 3.945 4.728 . 0 0 "[ . 1 . 2]" 1 1336 1 69 LEU HB3 1 70 ASP H . . 4.190 3.993 3.021 4.359 0.169 9 0 "[ . 1 . 2]" 1 1337 1 69 LEU HB3 2 38 TYR QE . . 5.240 4.907 4.139 5.267 0.027 13 0 "[ . 1 . 2]" 1 1338 1 69 LEU QD 1 70 ASP H . . 4.540 3.977 3.576 4.341 . 0 0 "[ . 1 . 2]" 1 1339 1 69 LEU QD 2 8 HIS QB . . 5.260 2.831 2.220 3.347 . 0 0 "[ . 1 . 2]" 1 1340 1 69 LEU QD 2 38 TYR QD . . 5.160 4.921 4.162 5.266 0.106 8 0 "[ . 1 . 2]" 1 1341 1 69 LEU QD 2 38 TYR QE . . 3.700 3.733 3.044 3.996 0.296 8 0 "[ . 1 . 2]" 1 1342 1 69 LEU QD 2 63 ILE HA . . 4.290 2.680 1.595 3.442 . 0 0 "[ . 1 . 2]" 1 1343 1 69 LEU QD 2 64 HIS H . . 4.170 2.487 2.024 3.927 . 0 0 "[ . 1 . 2]" 1 1344 1 69 LEU QD 2 64 HIS HA . . 4.100 3.100 2.541 3.598 . 0 0 "[ . 1 . 2]" 1 1345 1 69 LEU QD 2 64 HIS QB . . 4.180 2.193 1.701 4.058 . 0 0 "[ . 1 . 2]" 1 1346 1 69 LEU QD 2 64 HIS HD2 . . 3.200 2.378 1.708 3.249 0.049 7 0 "[ . 1 . 2]" 1 1347 1 69 LEU QD 2 65 ALA H . . 5.440 4.790 4.196 5.216 . 0 0 "[ . 1 . 2]" 1 1348 1 69 LEU MD1 1 70 ASP H . . 5.500 5.381 4.534 5.679 0.179 9 0 "[ . 1 . 2]" 1 1349 1 69 LEU MD1 2 63 ILE HA . . 5.000 2.729 1.601 3.560 . 0 0 "[ . 1 . 2]" 1 1350 1 69 LEU MD2 1 70 ASP H . . 5.500 4.228 3.668 5.543 0.043 3 0 "[ . 1 . 2]" 1 1351 1 69 LEU MD2 2 63 ILE HA . . 5.000 4.061 2.932 4.660 . 0 0 "[ . 1 . 2]" 1 1352 1 69 LEU HG 1 70 ASP H . . 5.190 5.143 4.689 5.275 0.085 6 0 "[ . 1 . 2]" 1 1353 1 69 LEU HG 2 64 HIS H . . 5.050 3.423 2.707 4.694 . 0 0 "[ . 1 . 2]" 1 1354 1 70 ASP H 1 70 ASP HB2 . . 4.060 3.042 2.442 4.061 0.001 7 0 "[ . 1 . 2]" 1 1355 1 70 ASP H 1 70 ASP QB . . 3.230 2.519 2.259 3.272 0.042 7 0 "[ . 1 . 2]" 1 1356 1 70 ASP H 1 70 ASP HB3 . . 4.060 2.833 2.350 3.708 . 0 0 "[ . 1 . 2]" 1 1357 1 70 ASP H 1 71 PRO HD3 . . 5.090 4.349 3.996 4.912 . 0 0 "[ . 1 . 2]" 1 1358 1 70 ASP H 2 61 PHE QD . . 5.500 4.396 3.424 5.516 0.016 12 0 "[ . 1 . 2]" 1 1359 1 70 ASP HA 1 71 PRO QG . . 4.770 3.869 3.690 4.113 . 0 0 "[ . 1 . 2]" 1 1360 1 70 ASP HA 1 72 SER H . . 4.230 3.629 3.173 4.083 . 0 0 "[ . 1 . 2]" 1 1361 1 70 ASP QB 1 71 PRO HD3 . . 5.000 4.061 3.231 4.647 . 0 0 "[ . 1 . 2]" 1 1362 1 70 ASP QB 1 71 PRO QG . . 5.050 5.057 3.954 5.326 0.276 8 0 "[ . 1 . 2]" 1 1363 1 70 ASP QB 1 72 SER H . . 4.550 3.391 2.261 4.192 . 0 0 "[ . 1 . 2]" 1 1364 1 70 ASP QB 1 73 GLU H . . 4.390 3.187 2.432 3.942 . 0 0 "[ . 1 . 2]" 1 1365 1 70 ASP QB 1 73 GLU QG . . 4.620 3.289 1.777 4.707 0.087 3 0 "[ . 1 . 2]" 1 1366 1 70 ASP QB 2 45 TRP HE1 . . 5.290 4.554 3.111 5.345 0.055 14 0 "[ . 1 . 2]" 1 1367 1 71 PRO HB2 1 72 SER H . . 4.110 3.501 2.822 4.043 . 0 0 "[ . 1 . 2]" 1 1368 1 71 PRO HB2 2 42 HIS HD2 . . 5.270 4.007 2.841 5.065 . 0 0 "[ . 1 . 2]" 1 1369 1 71 PRO HB2 2 45 TRP HH2 . . 4.890 3.634 3.037 4.528 . 0 0 "[ . 1 . 2]" 1 1370 1 71 PRO HB3 2 42 HIS HD2 . . 3.890 3.303 2.447 3.940 0.050 10 0 "[ . 1 . 2]" 1 1371 1 71 PRO HB3 2 45 TRP HE3 . . 5.500 5.257 4.723 5.715 0.215 10 0 "[ . 1 . 2]" 1 1372 1 71 PRO HB3 2 45 TRP HH2 . . 5.500 5.084 4.480 5.654 0.154 3 0 "[ . 1 . 2]" 1 1373 1 71 PRO HD2 1 72 SER H . . 3.760 2.752 2.313 3.218 . 0 0 "[ . 1 . 2]" 1 1374 1 71 PRO HD2 2 45 TRP HE1 . . 3.510 2.943 2.659 3.532 0.022 7 0 "[ . 1 . 2]" 1 1375 1 71 PRO HD2 2 45 TRP HZ2 . . 4.180 3.614 3.147 4.258 0.078 3 0 "[ . 1 . 2]" 1 1376 1 71 PRO HD3 1 72 SER H . . 4.240 3.880 3.469 4.255 0.015 9 0 "[ . 1 . 2]" 1 1377 1 71 PRO HD3 2 45 TRP HE1 . . 5.000 4.381 3.947 5.205 0.205 10 0 "[ . 1 . 2]" 1 1378 1 71 PRO QG 2 45 TRP HE1 . . 4.210 4.212 3.699 4.401 0.191 8 0 "[ . 1 . 2]" 1 1379 1 71 PRO HG2 1 72 SER H . . 4.980 4.002 2.706 4.718 . 0 0 "[ . 1 . 2]" 1 1380 1 71 PRO HG2 2 42 HIS HD2 . . 5.170 2.964 2.201 4.399 . 0 0 "[ . 1 . 2]" 1 1381 1 71 PRO HG3 1 72 SER H . . 4.980 4.595 4.197 4.835 . 0 0 "[ . 1 . 2]" 1 1382 1 71 PRO HG3 2 42 HIS HD2 . . 5.170 2.641 2.075 3.065 . 0 0 "[ . 1 . 2]" 1 1383 1 72 SER H 1 72 SER HB2 . . 3.530 2.748 2.498 3.632 0.102 9 0 "[ . 1 . 2]" 1 1384 1 72 SER H 1 72 SER QB . . 3.090 2.323 2.233 2.623 . 0 0 "[ . 1 . 2]" 1 1385 1 72 SER H 1 72 SER HB3 . . 3.530 2.541 2.438 2.701 . 0 0 "[ . 1 . 2]" 1 1386 1 72 SER H 1 73 GLU H . . 3.060 2.624 2.345 2.935 . 0 0 "[ . 1 . 2]" 1 1387 1 72 SER H 1 73 GLU QB . . 5.340 4.841 4.391 5.210 . 0 0 "[ . 1 . 2]" 1 1388 1 72 SER H 2 45 TRP HE1 . . 5.280 4.067 3.214 4.799 . 0 0 "[ . 1 . 2]" 1 1389 1 72 SER H 2 45 TRP HH2 . . 5.370 5.003 4.453 5.417 0.047 7 0 "[ . 1 . 2]" 1 1390 1 72 SER H 2 45 TRP HZ2 . . 4.290 3.577 2.802 4.244 . 0 0 "[ . 1 . 2]" 1 1391 1 72 SER HA 2 45 TRP HZ2 . . 5.500 3.871 2.399 5.459 . 0 0 "[ . 1 . 2]" 1 1392 1 72 SER QB 1 73 GLU H . . 3.910 2.690 2.003 3.552 . 0 0 "[ . 1 . 2]" 1 1393 1 72 SER QB 2 45 TRP HE1 . . 5.340 3.630 2.571 4.817 . 0 0 "[ . 1 . 2]" 1 1394 1 72 SER QB 2 45 TRP HZ2 . . 3.820 2.672 1.781 3.510 . 0 0 "[ . 1 . 2]" 1 1395 1 72 SER HB2 1 73 GLU H . . 4.760 3.852 3.261 4.316 . 0 0 "[ . 1 . 2]" 1 1396 1 72 SER HB3 1 73 GLU H . . 4.760 2.819 2.015 4.005 . 0 0 "[ . 1 . 2]" 1 1397 1 73 GLU H 1 73 GLU HB2 . . 3.820 2.698 2.422 3.906 0.086 14 0 "[ . 1 . 2]" 1 1398 1 73 GLU H 1 73 GLU QB . . 3.030 2.569 2.389 3.099 0.069 14 0 "[ . 1 . 2]" 1 1399 1 73 GLU H 1 73 GLU HB3 . . 3.820 3.622 2.930 3.819 . 0 0 "[ . 1 . 2]" 1 1400 1 73 GLU H 1 73 GLU QG . . 3.420 2.465 2.224 2.974 . 0 0 "[ . 1 . 2]" 1 1401 1 73 GLU HA 1 73 GLU QG . . 3.710 3.007 2.419 3.403 . 0 0 "[ . 1 . 2]" 1 1402 1 73 GLU HA 1 74 GLY H . . 3.500 3.282 2.199 3.585 0.085 4 0 "[ . 1 . 2]" 1 1403 1 73 GLU HB2 1 74 GLY H . . 4.570 2.938 2.146 4.490 . 0 0 "[ . 1 . 2]" 1 1404 1 73 GLU HB3 1 74 GLY H . . 4.570 3.664 2.212 4.575 0.005 13 0 "[ . 1 . 2]" 1 1405 2 2 PRO HA 2 3 ASP H . . 2.960 2.415 2.146 3.086 0.126 19 0 "[ . 1 . 2]" 1 1406 2 2 PRO QD 2 3 ASP H . . 4.930 4.597 3.082 5.011 0.081 12 0 "[ . 1 . 2]" 1 1407 2 3 ASP H 2 3 ASP QB . . 3.230 2.486 2.229 3.282 0.052 1 0 "[ . 1 . 2]" 1 1408 2 3 ASP H 2 4 LYS H . . 4.360 4.136 2.441 4.559 0.199 14 0 "[ . 1 . 2]" 1 1409 2 3 ASP HA 2 4 LYS H . . 2.940 2.306 2.097 3.213 0.273 3 0 "[ . 1 . 2]" 1 1410 2 3 ASP HA 2 4 LYS HB2 . . 5.500 4.878 4.347 5.738 0.238 11 0 "[ . 1 . 2]" 1 1411 2 3 ASP HA 2 4 LYS HB3 . . 5.500 4.962 4.338 5.645 0.145 4 0 "[ . 1 . 2]" 1 1412 2 3 ASP QB 2 4 LYS H . . 4.400 3.616 2.156 4.088 . 0 0 "[ . 1 . 2]" 1 1413 2 4 LYS H 2 4 LYS QB . . 2.980 2.704 2.247 3.179 0.199 19 0 "[ . 1 . 2]" 1 1414 2 4 LYS H 2 4 LYS HG2 . . 5.450 4.010 2.118 5.257 . 0 0 "[ . 1 . 2]" 1 1415 2 4 LYS H 2 4 LYS QG . . 4.720 3.506 2.069 4.388 . 0 0 "[ . 1 . 2]" 1 1416 2 4 LYS H 2 4 LYS HG3 . . 5.450 4.099 2.234 4.969 . 0 0 "[ . 1 . 2]" 1 1417 2 4 LYS H 2 5 GLN H . . 4.420 4.047 3.180 4.518 0.098 4 0 "[ . 1 . 2]" 1 1418 2 4 LYS HA 2 4 LYS QD . . 4.210 3.420 2.009 4.341 0.131 5 0 "[ . 1 . 2]" 1 1419 2 4 LYS HA 2 5 GLN H . . 2.710 2.222 2.134 2.441 . 0 0 "[ . 1 . 2]" 1 1420 2 4 LYS HA 2 5 GLN HG3 . . 4.670 3.987 3.599 4.509 . 0 0 "[ . 1 . 2]" 1 1421 2 4 LYS QB 2 5 GLN H . . 4.090 3.589 2.486 4.065 . 0 0 "[ . 1 . 2]" 1 1422 2 4 LYS HB2 2 5 GLN H . . 4.680 4.141 2.523 4.633 . 0 0 "[ . 1 . 2]" 1 1423 2 4 LYS HB3 2 5 GLN H . . 4.680 4.112 2.902 4.593 . 0 0 "[ . 1 . 2]" 1 1424 2 4 LYS QG 2 5 GLN H . . 4.810 3.886 3.228 4.573 . 0 0 "[ . 1 . 2]" 1 1425 2 4 LYS HG2 2 5 GLN H . . 5.500 4.755 3.597 5.540 0.040 12 0 "[ . 1 . 2]" 1 1426 2 4 LYS HG3 2 5 GLN H . . 5.500 4.246 3.488 5.571 0.071 4 0 "[ . 1 . 2]" 1 1427 2 5 GLN H 2 5 GLN HB2 . . 3.620 3.641 3.567 3.752 0.132 19 0 "[ . 1 . 2]" 1 1428 2 5 GLN H 2 5 GLN HB3 . . 3.790 3.009 2.773 3.309 . 0 0 "[ . 1 . 2]" 1 1429 2 5 GLN H 2 5 GLN HE22 . . 5.500 4.679 4.155 5.358 . 0 0 "[ . 1 . 2]" 1 1430 2 5 GLN H 2 5 GLN HG2 . . 4.470 3.605 3.421 3.787 . 0 0 "[ . 1 . 2]" 1 1431 2 5 GLN H 2 5 GLN HG3 . . 5.060 2.126 1.831 2.479 . 0 0 "[ . 1 . 2]" 1 1432 2 5 GLN H 2 6 LEU QD . . 5.440 5.314 4.817 5.621 0.181 2 0 "[ . 1 . 2]" 1 1433 2 5 GLN HA 2 5 GLN HE21 . . 5.170 4.487 3.913 5.000 . 0 0 "[ . 1 . 2]" 1 1434 2 5 GLN HB2 2 5 GLN HE21 . . 3.720 2.493 1.895 3.805 0.085 2 0 "[ . 1 . 2]" 1 1435 2 5 GLN HB2 2 5 GLN HE22 . . 4.140 3.862 3.503 4.205 0.065 2 0 "[ . 1 . 2]" 1 1436 2 5 GLN HB2 2 6 LEU H . . 4.120 3.913 2.464 4.130 0.010 17 0 "[ . 1 . 2]" 1 1437 2 5 GLN HB3 2 5 GLN HE21 . . 4.770 3.847 3.469 4.247 . 0 0 "[ . 1 . 2]" 1 1438 2 5 GLN HB3 2 6 LEU H . . 4.750 4.331 3.789 4.462 . 0 0 "[ . 1 . 2]" 1 1439 2 5 GLN HE21 2 5 GLN HG2 . . 3.450 2.666 2.354 3.431 . 0 0 "[ . 1 . 2]" 1 1440 2 5 GLN HE22 2 5 GLN HG2 . . 3.900 3.667 3.534 4.036 0.136 2 0 "[ . 1 . 2]" 1 1441 2 5 GLN HE22 2 6 LEU QB . . 4.000 3.063 1.995 4.326 0.326 2 0 "[ . 1 . 2]" 1 1442 2 5 GLN HE22 2 6 LEU MD1 . . 5.160 3.557 2.948 5.025 . 0 0 "[ . 1 . 2]" 1 1443 2 5 GLN HE22 2 6 LEU QD . . 4.200 3.396 2.926 4.263 0.063 17 0 "[ . 1 . 2]" 1 1444 2 5 GLN HE22 2 6 LEU MD2 . . 5.160 4.707 3.522 5.238 0.078 5 0 "[ . 1 . 2]" 1 1445 2 5 GLN HE22 2 6 LEU HG . . 5.280 4.804 3.789 5.377 0.097 4 0 "[ . 1 . 2]" 1 1446 2 5 GLN HG2 2 6 LEU H . . 4.660 4.548 4.176 4.770 0.110 2 0 "[ . 1 . 2]" 1 1447 2 5 GLN HG3 2 6 LEU H . . 4.870 3.670 2.763 4.581 . 0 0 "[ . 1 . 2]" 1 1448 2 6 LEU H 2 6 LEU QB . . 3.190 2.276 2.154 2.946 . 0 0 "[ . 1 . 2]" 1 1449 2 6 LEU H 2 6 LEU MD1 . . 4.740 4.218 3.955 4.928 0.188 2 0 "[ . 1 . 2]" 1 1450 2 6 LEU H 2 6 LEU QD . . 3.910 3.793 3.667 4.118 0.208 2 0 "[ . 1 . 2]" 1 1451 2 6 LEU H 2 6 LEU MD2 . . 4.740 4.317 4.137 4.460 . 0 0 "[ . 1 . 2]" 1 1452 2 6 LEU H 2 6 LEU HG . . 4.460 4.508 4.355 4.704 0.244 2 0 "[ . 1 . 2]" 1 1453 2 6 LEU HA 2 6 LEU MD1 . . 4.110 2.699 2.017 3.883 . 0 0 "[ . 1 . 2]" 1 1454 2 6 LEU HA 2 6 LEU QD . . 3.220 2.405 2.010 3.170 . 0 0 "[ . 1 . 2]" 1 1455 2 6 LEU HA 2 6 LEU MD2 . . 4.110 3.643 2.676 3.983 . 0 0 "[ . 1 . 2]" 1 1456 2 6 LEU HA 2 6 LEU HG . . 4.050 2.901 2.388 3.261 . 0 0 "[ . 1 . 2]" 1 1457 2 6 LEU HA 2 7 LEU MD1 . . 5.430 2.876 2.248 4.468 . 0 0 "[ . 1 . 2]" 1 1458 2 6 LEU HA 2 7 LEU QD . . 4.340 2.811 2.245 4.044 . 0 0 "[ . 1 . 2]" 1 1459 2 6 LEU HA 2 7 LEU MD2 . . 5.430 4.995 3.875 5.479 0.049 16 0 "[ . 1 . 2]" 1 1460 2 6 LEU HA 2 7 LEU HG . . 5.500 4.709 3.258 5.543 0.043 19 0 "[ . 1 . 2]" 1 1461 2 6 LEU QD 2 7 LEU H . . 3.900 2.424 1.645 3.077 . 0 0 "[ . 1 . 2]" 1 1462 2 6 LEU QD 2 66 HIS H . . 4.580 3.849 2.368 4.458 . 0 0 "[ . 1 . 2]" 1 1463 2 6 LEU QD 2 66 HIS HA . . 4.490 2.273 1.795 4.358 . 0 0 "[ . 1 . 2]" 1 1464 2 6 LEU QD 2 66 HIS QB . . 5.130 2.973 1.810 3.757 . 0 0 "[ . 1 . 2]" 1 1465 2 6 LEU QD 2 66 HIS HE1 . . 4.700 3.525 2.850 4.912 0.212 5 0 "[ . 1 . 2]" 1 1466 2 6 LEU QD 2 67 LYS H . . 5.440 4.405 2.052 4.901 . 0 0 "[ . 1 . 2]" 1 1467 2 6 LEU MD1 2 66 HIS H . . 5.500 4.467 2.488 5.596 0.096 17 0 "[ . 1 . 2]" 1 1468 2 6 LEU MD1 2 66 HIS HE1 . . 5.500 5.137 3.525 5.661 0.161 19 0 "[ . 1 . 2]" 1 1469 2 6 LEU MD2 2 66 HIS H . . 5.500 4.418 2.735 5.316 . 0 0 "[ . 1 . 2]" 1 1470 2 6 LEU MD2 2 66 HIS HE1 . . 5.500 3.886 2.858 5.596 0.096 5 0 "[ . 1 . 2]" 1 1471 2 6 LEU HG 2 7 LEU H . . 3.200 3.012 2.292 3.446 0.246 8 0 "[ . 1 . 2]" 1 1472 2 7 LEU H 2 7 LEU HB2 . . 4.060 3.984 3.867 4.074 0.014 20 0 "[ . 1 . 2]" 1 1473 2 7 LEU H 2 7 LEU QB . . 3.410 3.241 3.170 3.399 . 0 0 "[ . 1 . 2]" 1 1474 2 7 LEU H 2 7 LEU HB3 . . 4.060 3.436 3.339 3.691 . 0 0 "[ . 1 . 2]" 1 1475 2 7 LEU H 2 7 LEU MD1 . . 4.510 2.205 1.844 3.036 . 0 0 "[ . 1 . 2]" 1 1476 2 7 LEU H 2 7 LEU QD . . 3.920 2.175 1.835 2.968 . 0 0 "[ . 1 . 2]" 1 1477 2 7 LEU H 2 7 LEU MD2 . . 4.510 3.808 2.511 4.247 . 0 0 "[ . 1 . 2]" 1 1478 2 7 LEU H 2 7 LEU HG . . 4.680 3.950 2.452 4.472 . 0 0 "[ . 1 . 2]" 1 1479 2 7 LEU H 2 8 HIS H . . 4.590 4.322 4.214 4.379 . 0 0 "[ . 1 . 2]" 1 1480 2 7 LEU H 2 8 HIS HD2 . . 5.240 4.940 4.025 5.445 0.205 19 0 "[ . 1 . 2]" 1 1481 2 7 LEU HA 2 7 LEU MD1 . . 4.170 3.600 3.548 3.751 . 0 0 "[ . 1 . 2]" 1 1482 2 7 LEU HA 2 7 LEU QD . . 3.360 3.311 3.241 3.475 0.115 8 0 "[ . 1 . 2]" 1 1483 2 7 LEU HA 2 7 LEU MD2 . . 4.170 3.870 3.667 4.139 . 0 0 "[ . 1 . 2]" 1 1484 2 7 LEU HA 2 8 HIS H . . 3.020 2.637 2.405 2.851 . 0 0 "[ . 1 . 2]" 1 1485 2 7 LEU QB 2 7 LEU QD . . 2.850 2.088 1.961 2.138 . 0 0 "[ . 1 . 2]" 1 1486 2 7 LEU QB 2 35 TYR H . . 5.340 5.130 3.933 5.581 0.241 8 0 "[ . 1 . 2]" 1 1487 2 7 LEU QD 2 8 HIS H . . 3.910 2.610 2.121 3.018 . 0 0 "[ . 1 . 2]" 1 1488 2 7 LEU QD 2 34 ALA HA . . 4.650 3.384 2.840 4.041 . 0 0 "[ . 1 . 2]" 1 1489 2 7 LEU QD 2 34 ALA MB . . 2.970 2.536 1.961 2.971 0.001 8 0 "[ . 1 . 2]" 1 1490 2 7 LEU QD 2 35 TYR H . . 3.840 2.289 1.859 2.861 . 0 0 "[ . 1 . 2]" 1 1491 2 7 LEU QD 2 35 TYR HB3 . . 5.220 4.211 3.619 5.235 0.015 12 0 "[ . 1 . 2]" 1 1492 2 7 LEU QD 2 36 PRO QD . . 5.440 4.557 4.304 5.109 . 0 0 "[ . 1 . 2]" 1 1493 2 7 LEU QD 2 38 TYR H . . 4.680 3.799 2.469 4.764 0.084 5 0 "[ . 1 . 2]" 1 1494 2 7 LEU HG 2 8 HIS H . . 4.770 4.288 4.044 4.613 . 0 0 "[ . 1 . 2]" 1 1495 2 7 LEU HG 2 38 TYR H . . 5.410 4.530 3.398 5.491 0.081 17 0 "[ . 1 . 2]" 1 1496 2 8 HIS H 2 8 HIS QB . . 3.650 2.419 2.367 2.532 . 0 0 "[ . 1 . 2]" 1 1497 2 8 HIS HA 2 8 HIS HD2 . . 4.920 2.704 2.449 2.892 . 0 0 "[ . 1 . 2]" 1 1498 2 8 HIS HA 2 9 ILE H . . 3.050 2.219 2.144 2.260 . 0 0 "[ . 1 . 2]" 1 1499 2 8 HIS HA 2 9 ILE MD . . 5.360 5.342 5.220 5.452 0.092 14 0 "[ . 1 . 2]" 1 1500 2 8 HIS HA 2 9 ILE HG12 . . 5.200 4.086 3.960 4.236 . 0 0 "[ . 1 . 2]" 1 1501 2 8 HIS HA 2 62 ILE MG . . 5.070 3.783 3.524 4.192 . 0 0 "[ . 1 . 2]" 1 1502 2 8 HIS HA 2 63 ILE H . . 5.500 4.657 4.225 5.097 . 0 0 "[ . 1 . 2]" 1 1503 2 8 HIS HA 2 65 ALA H . . 3.620 2.311 1.782 3.129 . 0 0 "[ . 1 . 2]" 1 1504 2 8 HIS HA 2 65 ALA MB . . 4.540 3.332 2.842 3.702 . 0 0 "[ . 1 . 2]" 1 1505 2 8 HIS QB 2 9 ILE H . . 3.740 3.605 3.330 3.763 0.023 4 0 "[ . 1 . 2]" 1 1506 2 8 HIS QB 2 41 ALA H . . 5.500 5.749 5.658 5.868 0.368 19 0 "[ . 1 . 2]" 1 1507 2 8 HIS QB 2 41 ALA MB . . 3.340 3.405 3.171 3.501 0.161 4 0 "[ . 1 . 2]" 1 1508 2 8 HIS QB 2 62 ILE MG . . 3.270 1.953 1.790 2.242 . 0 0 "[ . 1 . 2]" 1 1509 2 8 HIS QB 2 63 ILE H . . 4.840 3.597 3.274 3.953 . 0 0 "[ . 1 . 2]" 1 1510 2 8 HIS QB 2 63 ILE HA . . 5.100 4.540 4.097 5.024 . 0 0 "[ . 1 . 2]" 1 1511 2 8 HIS QB 2 64 HIS HA . . 4.990 3.130 2.698 4.067 . 0 0 "[ . 1 . 2]" 1 1512 2 8 HIS HD2 2 9 ILE H . . 5.300 4.834 4.532 4.997 . 0 0 "[ . 1 . 2]" 1 1513 2 8 HIS HD2 2 64 HIS HA . . 3.620 2.949 2.578 3.622 0.002 1 0 "[ . 1 . 2]" 1 1514 2 8 HIS HD2 2 64 HIS QB . . 5.140 3.479 2.673 4.683 . 0 0 "[ . 1 . 2]" 1 1515 2 8 HIS HD2 2 65 ALA H . . 3.370 3.308 2.737 3.507 0.137 5 0 "[ . 1 . 2]" 1 1516 2 8 HIS HD2 2 65 ALA MB . . 4.700 4.694 4.059 4.905 0.205 8 0 "[ . 1 . 2]" 1 1517 2 9 ILE H 2 9 ILE HB . . 3.790 3.685 3.657 3.709 . 0 0 "[ . 1 . 2]" 1 1518 2 9 ILE H 2 9 ILE MD . . 4.250 3.703 3.625 3.774 . 0 0 "[ . 1 . 2]" 1 1519 2 9 ILE H 2 9 ILE HG12 . . 3.770 2.206 2.083 2.310 . 0 0 "[ . 1 . 2]" 1 1520 2 9 ILE H 2 9 ILE HG13 . . 3.930 3.390 3.206 3.502 . 0 0 "[ . 1 . 2]" 1 1521 2 9 ILE H 2 9 ILE MG . . 4.110 2.233 2.102 2.382 . 0 0 "[ . 1 . 2]" 1 1522 2 9 ILE H 2 10 VAL H . . 4.660 4.619 4.559 4.654 . 0 0 "[ . 1 . 2]" 1 1523 2 9 ILE H 2 41 ALA MB . . 4.910 4.852 4.683 5.054 0.144 9 0 "[ . 1 . 2]" 1 1524 2 9 ILE H 2 64 HIS HA . . 4.400 3.870 3.191 4.442 0.042 13 0 "[ . 1 . 2]" 1 1525 2 9 ILE H 2 65 ALA H . . 4.610 3.092 2.497 3.797 . 0 0 "[ . 1 . 2]" 1 1526 2 9 ILE H 2 65 ALA MB . . 4.880 2.560 2.282 3.447 . 0 0 "[ . 1 . 2]" 1 1527 2 9 ILE HA 2 9 ILE MD . . 4.280 4.274 4.251 4.297 0.017 8 0 "[ . 1 . 2]" 1 1528 2 9 ILE HA 2 9 ILE HG12 . . 4.130 3.797 3.768 3.824 . 0 0 "[ . 1 . 2]" 1 1529 2 9 ILE HA 2 10 VAL H . . 2.830 2.460 2.348 2.616 . 0 0 "[ . 1 . 2]" 1 1530 2 9 ILE HA 2 34 ALA MB . . 4.250 3.033 2.556 3.314 . 0 0 "[ . 1 . 2]" 1 1531 2 9 ILE HA 2 35 TYR H . . 3.980 3.740 3.525 3.878 . 0 0 "[ . 1 . 2]" 1 1532 2 9 ILE HB 2 9 ILE MD . . 3.420 2.533 2.474 2.585 . 0 0 "[ . 1 . 2]" 1 1533 2 9 ILE HB 2 10 VAL H . . 3.280 2.330 2.196 2.575 . 0 0 "[ . 1 . 2]" 1 1534 2 9 ILE HB 2 10 VAL MG2 . . 3.650 3.815 3.752 3.898 0.248 1 0 "[ . 1 . 2]" 1 1535 2 9 ILE HB 2 34 ALA HA . . 5.500 3.467 3.262 3.670 . 0 0 "[ . 1 . 2]" 1 1536 2 9 ILE HB 2 35 TYR H . . 5.500 5.283 4.920 5.614 0.114 9 0 "[ . 1 . 2]" 1 1537 2 9 ILE MD 2 9 ILE MG . . 2.630 2.030 2.016 2.053 . 0 0 "[ . 1 . 2]" 1 1538 2 9 ILE MD 2 10 VAL H . . 4.830 4.186 3.964 4.406 . 0 0 "[ . 1 . 2]" 1 1539 2 9 ILE MD 2 34 ALA MB . . 4.180 3.830 3.433 4.142 . 0 0 "[ . 1 . 2]" 1 1540 2 9 ILE MD 2 65 ALA H . . 5.500 4.916 4.387 5.396 . 0 0 "[ . 1 . 2]" 1 1541 2 9 ILE MD 2 65 ALA MB . . 3.010 2.460 2.078 3.155 0.145 5 0 "[ . 1 . 2]" 1 1542 2 9 ILE HG12 2 9 ILE MG . . 2.910 2.514 2.460 2.560 . 0 0 "[ . 1 . 2]" 1 1543 2 9 ILE HG12 2 10 VAL H . . 5.190 4.502 4.232 4.666 . 0 0 "[ . 1 . 2]" 1 1544 2 9 ILE HG12 2 65 ALA MB . . 4.080 2.320 1.942 3.534 . 0 0 "[ . 1 . 2]" 1 1545 2 9 ILE HG13 2 10 VAL HA . . 4.990 4.125 3.706 4.368 . 0 0 "[ . 1 . 2]" 1 1546 2 9 ILE HG13 2 34 ALA HA . . 5.500 5.633 5.523 5.724 0.224 16 0 "[ . 1 . 2]" 1 1547 2 9 ILE HG13 2 63 ILE H . . 4.720 3.678 3.284 4.348 . 0 0 "[ . 1 . 2]" 1 1548 2 9 ILE MG 2 10 VAL H . . 3.970 3.733 3.637 3.897 . 0 0 "[ . 1 . 2]" 1 1549 2 9 ILE MG 2 33 GLY QA . . 5.340 5.230 4.948 5.423 0.083 6 0 "[ . 1 . 2]" 1 1550 2 9 ILE MG 2 34 ALA MB . . 4.090 1.948 1.728 2.134 . 0 0 "[ . 1 . 2]" 1 1551 2 9 ILE MG 2 64 HIS HA . . 5.500 5.310 4.732 5.701 0.201 2 0 "[ . 1 . 2]" 1 1552 2 9 ILE MG 2 65 ALA H . . 5.000 3.981 3.515 4.342 . 0 0 "[ . 1 . 2]" 1 1553 2 9 ILE MG 2 65 ALA HA . . 5.500 4.398 4.171 4.685 . 0 0 "[ . 1 . 2]" 1 1554 2 9 ILE MG 2 65 ALA MB . . 2.970 1.994 1.841 2.438 . 0 0 "[ . 1 . 2]" 1 1555 2 10 VAL H 2 10 VAL HB . . 3.810 3.695 3.648 3.782 . 0 0 "[ . 1 . 2]" 1 1556 2 10 VAL H 2 10 VAL MG1 . . 3.540 3.249 3.093 3.489 . 0 0 "[ . 1 . 2]" 1 1557 2 10 VAL H 2 10 VAL MG2 . . 3.050 1.997 1.872 2.190 . 0 0 "[ . 1 . 2]" 1 1558 2 10 VAL H 2 11 VAL H . . 4.660 4.357 4.216 4.442 . 0 0 "[ . 1 . 2]" 1 1559 2 10 VAL H 2 34 ALA HA . . 4.050 2.951 2.826 3.157 . 0 0 "[ . 1 . 2]" 1 1560 2 10 VAL H 2 34 ALA MB . . 4.370 3.572 3.397 3.793 . 0 0 "[ . 1 . 2]" 1 1561 2 10 VAL H 2 35 TYR H . . 5.220 4.908 4.514 5.251 0.031 3 0 "[ . 1 . 2]" 1 1562 2 10 VAL HA 2 10 VAL MG1 . . 3.090 2.219 2.197 2.245 . 0 0 "[ . 1 . 2]" 1 1563 2 10 VAL HA 2 10 VAL MG2 . . 3.210 3.222 3.200 3.233 0.023 3 0 "[ . 1 . 2]" 1 1564 2 10 VAL HA 2 11 VAL H . . 2.920 2.085 2.031 2.136 . 0 0 "[ . 1 . 2]" 1 1565 2 10 VAL HA 2 11 VAL MG1 . . 5.500 3.588 3.346 3.894 . 0 0 "[ . 1 . 2]" 1 1566 2 10 VAL HA 2 11 VAL QG . . 4.290 3.352 3.224 3.504 . 0 0 "[ . 1 . 2]" 1 1567 2 10 VAL HA 2 11 VAL MG2 . . 5.500 4.498 3.581 5.485 . 0 0 "[ . 1 . 2]" 1 1568 2 10 VAL HA 2 62 ILE MG . . 4.700 2.905 2.777 3.113 . 0 0 "[ . 1 . 2]" 1 1569 2 10 VAL HA 2 63 ILE H . . 4.050 3.324 2.830 3.682 . 0 0 "[ . 1 . 2]" 1 1570 2 10 VAL HB 2 11 VAL H . . 4.370 3.282 3.102 3.627 . 0 0 "[ . 1 . 2]" 1 1571 2 10 VAL HB 2 11 VAL HA . . 5.500 4.439 4.232 4.722 . 0 0 "[ . 1 . 2]" 1 1572 2 10 VAL HB 2 32 VAL H . . 4.610 4.169 3.968 4.310 . 0 0 "[ . 1 . 2]" 1 1573 2 10 VAL HB 2 32 VAL HB . . 3.610 2.114 1.933 2.298 . 0 0 "[ . 1 . 2]" 1 1574 2 10 VAL HB 2 32 VAL MG1 . . 3.770 2.893 2.651 3.214 . 0 0 "[ . 1 . 2]" 1 1575 2 10 VAL HB 2 32 VAL MG2 . . 4.010 2.816 2.577 3.104 . 0 0 "[ . 1 . 2]" 1 1576 2 10 VAL MG1 2 11 VAL H . . 3.550 3.536 3.428 3.716 0.166 10 0 "[ . 1 . 2]" 1 1577 2 10 VAL MG1 2 32 VAL HB . . 4.630 3.755 3.635 3.867 . 0 0 "[ . 1 . 2]" 1 1578 2 10 VAL MG1 2 34 ALA HA . . 4.150 4.334 4.225 4.423 0.273 7 0 "[ . 1 . 2]" 1 1579 2 10 VAL MG1 2 35 TYR QD . . 3.800 3.554 3.307 3.871 0.071 3 0 "[ . 1 . 2]" 1 1580 2 10 VAL MG1 2 41 ALA HA . . 3.600 2.717 2.450 2.997 . 0 0 "[ . 1 . 2]" 1 1581 2 10 VAL MG1 2 45 TRP HB2 . . 4.340 3.398 3.107 3.632 . 0 0 "[ . 1 . 2]" 1 1582 2 10 VAL MG1 2 62 ILE HA . . 4.320 2.883 2.519 3.212 . 0 0 "[ . 1 . 2]" 1 1583 2 10 VAL MG1 2 62 ILE MD . . 3.890 3.319 2.780 3.770 . 0 0 "[ . 1 . 2]" 1 1584 2 10 VAL MG1 2 62 ILE HG12 . . 3.120 2.258 1.864 2.662 . 0 0 "[ . 1 . 2]" 1 1585 2 10 VAL MG1 2 62 ILE HG13 . . 4.490 3.729 3.469 4.022 . 0 0 "[ . 1 . 2]" 1 1586 2 10 VAL MG1 2 63 ILE H . . 4.500 4.199 3.696 4.554 0.054 10 0 "[ . 1 . 2]" 1 1587 2 10 VAL MG2 2 11 VAL H . . 5.080 4.247 4.170 4.336 . 0 0 "[ . 1 . 2]" 1 1588 2 10 VAL MG2 2 32 VAL MG1 . . 2.870 2.413 2.300 2.550 . 0 0 "[ . 1 . 2]" 1 1589 2 10 VAL MG2 2 34 ALA HA . . 3.600 2.480 2.367 2.635 . 0 0 "[ . 1 . 2]" 1 1590 2 10 VAL MG2 2 34 ALA MB . . 3.610 3.744 3.651 3.869 0.259 11 0 "[ . 1 . 2]" 1 1591 2 11 VAL H 2 11 VAL MG1 . . 4.190 2.750 2.355 3.171 . 0 0 "[ . 1 . 2]" 1 1592 2 11 VAL H 2 11 VAL QG . . 3.130 2.341 2.182 2.476 . 0 0 "[ . 1 . 2]" 1 1593 2 11 VAL H 2 11 VAL MG2 . . 4.190 3.104 2.264 4.049 . 0 0 "[ . 1 . 2]" 1 1594 2 11 VAL H 2 61 PHE QB . . 5.340 4.459 3.863 4.909 . 0 0 "[ . 1 . 2]" 1 1595 2 11 VAL H 2 62 ILE HA . . 4.480 2.846 2.630 2.991 . 0 0 "[ . 1 . 2]" 1 1596 2 11 VAL H 2 62 ILE HG12 . . 5.390 4.849 4.374 5.166 . 0 0 "[ . 1 . 2]" 1 1597 2 11 VAL H 2 62 ILE MG . . 4.190 4.352 4.253 4.472 0.282 5 0 "[ . 1 . 2]" 1 1598 2 11 VAL HA 2 11 VAL QG . . 3.080 2.384 2.355 2.431 . 0 0 "[ . 1 . 2]" 1 1599 2 11 VAL HA 2 12 GLY H . . 2.980 2.282 2.192 2.482 . 0 0 "[ . 1 . 2]" 1 1600 2 11 VAL HA 2 31 PHE H . . 5.460 4.906 4.746 5.066 . 0 0 "[ . 1 . 2]" 1 1601 2 11 VAL HA 2 32 VAL H . . 3.700 2.172 1.908 2.742 . 0 0 "[ . 1 . 2]" 1 1602 2 11 VAL HA 2 32 VAL MG2 . . 4.000 2.848 2.391 3.642 . 0 0 "[ . 1 . 2]" 1 1603 2 11 VAL HB 2 12 GLY H . . 3.960 3.346 2.401 4.037 0.077 17 0 "[ . 1 . 2]" 1 1604 2 11 VAL HB 2 31 PHE HA . . 5.500 3.363 2.956 3.758 . 0 0 "[ . 1 . 2]" 1 1605 2 11 VAL HB 2 31 PHE QD . . 5.500 2.983 2.602 3.925 . 0 0 "[ . 1 . 2]" 1 1606 2 11 VAL HB 2 31 PHE QE . . 5.430 3.996 3.160 4.641 . 0 0 "[ . 1 . 2]" 1 1607 2 11 VAL HB 2 63 ILE MD . . 3.990 4.024 3.788 4.113 0.123 20 0 "[ . 1 . 2]" 1 1608 2 11 VAL QG 2 12 GLY HA2 . . 4.440 3.253 2.897 3.826 . 0 0 "[ . 1 . 2]" 1 1609 2 11 VAL QG 2 31 PHE HA . . 3.350 2.660 1.995 3.436 0.086 10 0 "[ . 1 . 2]" 1 1610 2 11 VAL QG 2 31 PHE QB . . 3.640 3.258 2.872 3.601 . 0 0 "[ . 1 . 2]" 1 1611 2 11 VAL QG 2 31 PHE QD . . 3.300 2.144 1.680 2.695 . 0 0 "[ . 1 . 2]" 1 1612 2 11 VAL QG 2 31 PHE QE . . 3.660 2.923 2.743 3.150 . 0 0 "[ . 1 . 2]" 1 1613 2 11 VAL QG 2 32 VAL H . . 4.660 3.714 3.411 4.191 . 0 0 "[ . 1 . 2]" 1 1614 2 11 VAL QG 2 61 PHE H . . 4.070 3.727 3.078 3.984 . 0 0 "[ . 1 . 2]" 1 1615 2 11 VAL QG 2 61 PHE QB . . 3.820 3.319 2.317 3.932 0.112 17 0 "[ . 1 . 2]" 1 1616 2 11 VAL QG 2 63 ILE H . . 3.930 3.472 3.173 3.865 . 0 0 "[ . 1 . 2]" 1 1617 2 11 VAL QG 2 63 ILE QG . . 4.270 2.320 2.029 3.139 . 0 0 "[ . 1 . 2]" 1 1618 2 11 VAL MG1 2 12 GLY H . . 4.030 3.893 3.719 4.088 0.058 10 0 "[ . 1 . 2]" 1 1619 2 11 VAL MG2 2 12 GLY H . . 4.030 3.030 2.264 3.931 . 0 0 "[ . 1 . 2]" 1 1620 2 12 GLY H 2 13 GLY H . . 4.840 4.210 3.911 4.364 . 0 0 "[ . 1 . 2]" 1 1621 2 12 GLY H 2 29 VAL HA . . 5.500 5.048 4.632 5.395 . 0 0 "[ . 1 . 2]" 1 1622 2 12 GLY H 2 30 GLU H . . 4.460 4.128 3.517 4.537 0.077 19 0 "[ . 1 . 2]" 1 1623 2 12 GLY H 2 30 GLU QB . . 5.090 4.284 3.774 4.785 . 0 0 "[ . 1 . 2]" 1 1624 2 12 GLY H 2 31 PHE HA . . 4.680 2.891 2.250 3.346 . 0 0 "[ . 1 . 2]" 1 1625 2 12 GLY H 2 32 VAL H . . 4.560 3.301 2.824 3.621 . 0 0 "[ . 1 . 2]" 1 1626 2 12 GLY H 2 32 VAL HA . . 5.500 5.540 5.171 5.734 0.234 14 0 "[ . 1 . 2]" 1 1627 2 12 GLY H 2 32 VAL MG2 . . 4.310 3.147 2.643 3.498 . 0 0 "[ . 1 . 2]" 1 1628 2 12 GLY H 2 60 TYR QD . . 4.700 3.527 2.844 3.912 . 0 0 "[ . 1 . 2]" 1 1629 2 12 GLY H 2 60 TYR QE . . 5.440 4.326 3.598 5.003 . 0 0 "[ . 1 . 2]" 1 1630 2 12 GLY HA2 2 13 GLY H . . 3.250 2.885 2.632 3.172 . 0 0 "[ . 1 . 2]" 1 1631 2 12 GLY HA2 2 32 VAL MG2 . . 5.500 4.562 4.077 4.936 . 0 0 "[ . 1 . 2]" 1 1632 2 12 GLY HA2 2 59 ARG H . . 5.500 5.301 4.890 5.536 0.036 19 0 "[ . 1 . 2]" 1 1633 2 12 GLY HA2 2 60 TYR HA . . 4.010 2.665 2.139 2.921 . 0 0 "[ . 1 . 2]" 1 1634 2 12 GLY HA2 2 60 TYR QD . . 4.890 4.016 3.639 4.262 . 0 0 "[ . 1 . 2]" 1 1635 2 12 GLY HA2 2 61 PHE H . . 4.110 2.979 2.428 3.331 . 0 0 "[ . 1 . 2]" 1 1636 2 12 GLY HA3 2 13 GLY H . . 3.370 2.314 2.145 2.545 . 0 0 "[ . 1 . 2]" 1 1637 2 12 GLY HA3 2 32 VAL MG2 . . 5.020 3.503 3.049 3.962 . 0 0 "[ . 1 . 2]" 1 1638 2 12 GLY HA3 2 60 TYR HA . . 3.830 1.943 1.698 2.310 . 0 0 "[ . 1 . 2]" 1 1639 2 12 GLY HA3 2 60 TYR QD . . 3.760 2.417 2.025 2.776 . 0 0 "[ . 1 . 2]" 1 1640 2 12 GLY HA3 2 60 TYR QE . . 4.250 3.730 3.325 4.099 . 0 0 "[ . 1 . 2]" 1 1641 2 12 GLY HA3 2 61 PHE H . . 4.510 3.167 2.851 3.658 . 0 0 "[ . 1 . 2]" 1 1642 2 13 GLY H 2 14 GLU H . . 4.420 4.433 4.331 4.482 0.062 15 0 "[ . 1 . 2]" 1 1643 2 13 GLY H 2 14 GLU HA . . 5.380 4.849 4.661 5.075 . 0 0 "[ . 1 . 2]" 1 1644 2 13 GLY H 2 15 LEU QD . . 5.130 3.973 3.507 4.646 . 0 0 "[ . 1 . 2]" 1 1645 2 13 GLY H 2 58 ALA MB . . 3.910 3.694 3.149 4.081 0.171 9 0 "[ . 1 . 2]" 1 1646 2 13 GLY H 2 59 ARG H . . 3.610 3.469 2.905 3.700 0.090 2 0 "[ . 1 . 2]" 1 1647 2 13 GLY H 2 59 ARG HA . . 5.500 5.009 4.641 5.334 . 0 0 "[ . 1 . 2]" 1 1648 2 13 GLY H 2 59 ARG QB . . 5.080 4.865 4.290 5.174 0.094 17 0 "[ . 1 . 2]" 1 1649 2 13 GLY H 2 60 TYR H . . 5.150 4.664 4.433 5.054 . 0 0 "[ . 1 . 2]" 1 1650 2 13 GLY H 2 60 TYR HA . . 4.420 3.258 2.963 3.538 . 0 0 "[ . 1 . 2]" 1 1651 2 13 GLY H 2 61 PHE H . . 5.320 4.914 4.692 5.246 . 0 0 "[ . 1 . 2]" 1 1652 2 13 GLY HA2 2 14 GLU H . . 2.840 2.693 2.448 2.872 0.032 15 0 "[ . 1 . 2]" 1 1653 2 13 GLY HA2 2 14 GLU QB . . 5.420 4.704 4.570 4.851 . 0 0 "[ . 1 . 2]" 1 1654 2 13 GLY HA2 2 29 VAL QG . . 5.070 4.371 3.665 5.148 0.078 11 0 "[ . 1 . 2]" 1 1655 2 13 GLY HA2 2 58 ALA MB . . 4.590 3.367 2.844 3.860 . 0 0 "[ . 1 . 2]" 1 1656 2 13 GLY HA3 2 14 GLU H . . 3.480 2.488 2.289 2.749 . 0 0 "[ . 1 . 2]" 1 1657 2 13 GLY HA3 2 15 LEU QD . . 4.990 4.394 4.084 5.071 0.081 8 0 "[ . 1 . 2]" 1 1658 2 13 GLY HA3 2 23 PHE QD . . 5.380 4.326 3.112 5.428 0.048 7 0 "[ . 1 . 2]" 1 1659 2 13 GLY HA3 2 29 VAL QG . . 5.290 3.034 2.429 3.941 . 0 0 "[ . 1 . 2]" 1 1660 2 13 GLY HA3 2 30 GLU H . . 4.810 2.290 1.842 2.881 . 0 0 "[ . 1 . 2]" 1 1661 2 13 GLY HA3 2 58 ALA MB . . 4.990 4.635 4.124 5.056 0.066 7 0 "[ . 1 . 2]" 1 1662 2 14 GLU H 2 14 GLU QB . . 2.830 2.380 2.273 2.465 . 0 0 "[ . 1 . 2]" 1 1663 2 14 GLU H 2 14 GLU HG2 . . 4.550 3.821 3.505 4.071 . 0 0 "[ . 1 . 2]" 1 1664 2 14 GLU H 2 14 GLU HG3 . . 3.730 2.871 2.634 3.090 . 0 0 "[ . 1 . 2]" 1 1665 2 14 GLU H 2 15 LEU H . . 4.700 4.445 4.290 4.555 . 0 0 "[ . 1 . 2]" 1 1666 2 14 GLU H 2 15 LEU QD . . 5.190 4.331 3.965 5.021 . 0 0 "[ . 1 . 2]" 1 1667 2 14 GLU H 2 23 PHE HB3 . . 5.500 5.526 5.094 5.716 0.216 19 0 "[ . 1 . 2]" 1 1668 2 14 GLU H 2 58 ALA MB . . 4.630 4.004 3.343 4.703 0.073 16 0 "[ . 1 . 2]" 1 1669 2 14 GLU HA 2 14 GLU HG2 . . 4.060 2.371 2.246 2.663 . 0 0 "[ . 1 . 2]" 1 1670 2 14 GLU HA 2 14 GLU HG3 . . 4.180 3.015 2.714 3.239 . 0 0 "[ . 1 . 2]" 1 1671 2 14 GLU HA 2 15 LEU H . . 2.760 2.055 1.992 2.117 . 0 0 "[ . 1 . 2]" 1 1672 2 14 GLU HA 2 58 ALA MB . . 4.080 3.159 2.590 3.849 . 0 0 "[ . 1 . 2]" 1 1673 2 14 GLU QB 2 15 LEU H . . 3.750 3.092 2.687 3.531 . 0 0 "[ . 1 . 2]" 1 1674 2 14 GLU QB 2 24 ARG H . . 4.820 4.046 3.599 4.560 . 0 0 "[ . 1 . 2]" 1 1675 2 14 GLU QB 2 24 ARG HB2 . . 4.690 3.495 2.800 4.351 . 0 0 "[ . 1 . 2]" 1 1676 2 14 GLU QB 2 24 ARG QD . . 3.780 3.001 2.310 3.899 0.119 19 0 "[ . 1 . 2]" 1 1677 2 14 GLU QB 2 25 ASP H . . 5.310 4.162 3.396 4.886 . 0 0 "[ . 1 . 2]" 1 1678 2 14 GLU QB 2 56 ALA MB . . 5.500 4.562 3.313 5.306 . 0 0 "[ . 1 . 2]" 1 1679 2 14 GLU HG2 2 15 LEU H . . 4.540 3.928 3.629 4.486 . 0 0 "[ . 1 . 2]" 1 1680 2 14 GLU HG2 2 55 ASN HD22 . . 5.440 3.998 1.923 5.477 0.037 6 0 "[ . 1 . 2]" 1 1681 2 14 GLU HG2 2 56 ALA MB . . 4.330 4.123 2.707 4.495 0.165 15 0 "[ . 1 . 2]" 1 1682 2 14 GLU HG2 2 57 HIS QB . . 5.100 3.511 2.477 4.335 . 0 0 "[ . 1 . 2]" 1 1683 2 14 GLU HG2 2 58 ALA H . . 5.210 3.104 2.272 4.251 . 0 0 "[ . 1 . 2]" 1 1684 2 14 GLU HG2 2 58 ALA HA . . 4.920 3.124 2.486 4.148 . 0 0 "[ . 1 . 2]" 1 1685 2 14 GLU HG2 2 58 ALA MB . . 4.880 2.445 1.874 3.152 . 0 0 "[ . 1 . 2]" 1 1686 2 14 GLU HG3 2 15 LEU H . . 4.780 4.878 4.777 4.986 0.206 11 0 "[ . 1 . 2]" 1 1687 2 14 GLU HG3 2 55 ASN HD22 . . 5.500 3.458 1.973 5.180 . 0 0 "[ . 1 . 2]" 1 1688 2 14 GLU HG3 2 57 HIS QB . . 5.280 4.861 3.828 5.487 0.207 9 0 "[ . 1 . 2]" 1 1689 2 14 GLU HG3 2 58 ALA HA . . 5.450 3.802 3.264 4.270 . 0 0 "[ . 1 . 2]" 1 1690 2 14 GLU HG3 2 58 ALA MB . . 4.350 2.742 2.074 3.763 . 0 0 "[ . 1 . 2]" 1 1691 2 15 LEU H 2 15 LEU QB . . 2.930 2.378 2.251 2.621 . 0 0 "[ . 1 . 2]" 1 1692 2 15 LEU H 2 15 LEU MD1 . . 4.050 3.726 2.769 4.154 0.104 20 0 "[ . 1 . 2]" 1 1693 2 15 LEU H 2 15 LEU QD . . 3.550 2.598 2.080 3.511 . 0 0 "[ . 1 . 2]" 1 1694 2 15 LEU H 2 15 LEU MD2 . . 4.050 2.748 2.095 4.071 0.021 7 0 "[ . 1 . 2]" 1 1695 2 15 LEU H 2 15 LEU HG . . 4.310 3.729 2.276 4.337 0.027 7 0 "[ . 1 . 2]" 1 1696 2 15 LEU H 2 16 LYS H . . 4.860 4.528 4.423 4.617 . 0 0 "[ . 1 . 2]" 1 1697 2 15 LEU H 2 23 PHE QD . . 5.500 4.988 4.454 5.553 0.053 19 0 "[ . 1 . 2]" 1 1698 2 15 LEU H 2 24 ARG H . . 5.350 4.234 3.897 4.468 . 0 0 "[ . 1 . 2]" 1 1699 2 15 LEU H 2 57 HIS HB2 . . 5.110 2.960 2.490 4.623 . 0 0 "[ . 1 . 2]" 1 1700 2 15 LEU H 2 57 HIS QB . . 4.230 2.429 1.964 3.103 . 0 0 "[ . 1 . 2]" 1 1701 2 15 LEU H 2 57 HIS HB3 . . 5.110 2.659 2.009 3.328 . 0 0 "[ . 1 . 2]" 1 1702 2 15 LEU H 2 58 ALA H . . 5.410 4.523 4.234 4.933 . 0 0 "[ . 1 . 2]" 1 1703 2 15 LEU H 2 58 ALA HA . . 4.050 3.307 2.551 4.005 . 0 0 "[ . 1 . 2]" 1 1704 2 15 LEU H 2 59 ARG H . . 4.770 3.769 3.235 4.454 . 0 0 "[ . 1 . 2]" 1 1705 2 15 LEU HA 2 15 LEU MD1 . . 4.220 2.689 2.088 3.957 . 0 0 "[ . 1 . 2]" 1 1706 2 15 LEU HA 2 15 LEU QD . . 2.890 2.123 2.027 2.424 . 0 0 "[ . 1 . 2]" 1 1707 2 15 LEU HA 2 15 LEU MD2 . . 4.220 2.824 2.034 3.880 . 0 0 "[ . 1 . 2]" 1 1708 2 15 LEU HA 2 16 LYS H . . 2.820 2.436 2.282 2.552 . 0 0 "[ . 1 . 2]" 1 1709 2 15 LEU HA 2 16 LYS QB . . 5.340 4.674 4.527 4.776 . 0 0 "[ . 1 . 2]" 1 1710 2 15 LEU HA 2 16 LYS QG . . 4.990 3.906 3.640 4.259 . 0 0 "[ . 1 . 2]" 1 1711 2 15 LEU HA 2 23 PHE HB3 . . 5.420 4.533 3.952 5.033 . 0 0 "[ . 1 . 2]" 1 1712 2 15 LEU QB 2 15 LEU QD . . 2.700 2.072 1.994 2.126 . 0 0 "[ . 1 . 2]" 1 1713 2 15 LEU QB 2 16 LYS H . . 3.190 2.471 2.205 2.840 . 0 0 "[ . 1 . 2]" 1 1714 2 15 LEU QB 2 17 ASP H . . 4.320 2.463 1.972 2.983 . 0 0 "[ . 1 . 2]" 1 1715 2 15 LEU QB 2 18 VAL H . . 5.490 5.025 4.600 5.277 . 0 0 "[ . 1 . 2]" 1 1716 2 15 LEU QB 2 18 VAL HA . . 5.500 4.061 3.476 4.522 . 0 0 "[ . 1 . 2]" 1 1717 2 15 LEU QB 2 21 VAL HA . . 5.500 3.659 3.049 4.286 . 0 0 "[ . 1 . 2]" 1 1718 2 15 LEU QB 2 22 GLU H . . 3.520 3.290 2.743 3.647 0.127 9 0 "[ . 1 . 2]" 1 1719 2 15 LEU QB 2 23 PHE HA . . 5.430 4.042 3.580 4.469 . 0 0 "[ . 1 . 2]" 1 1720 2 15 LEU QB 2 57 HIS HA . . 5.500 4.355 4.045 4.726 . 0 0 "[ . 1 . 2]" 1 1721 2 15 LEU QB 2 58 ALA H . . 5.500 5.657 5.518 5.841 0.341 16 0 "[ . 1 . 2]" 1 1722 2 15 LEU QB 2 58 ALA HA . . 5.500 4.818 4.211 5.300 . 0 0 "[ . 1 . 2]" 1 1723 2 15 LEU QD 2 16 LYS H . . 3.620 3.401 3.213 3.713 0.093 7 0 "[ . 1 . 2]" 1 1724 2 15 LEU QD 2 21 VAL H . . 5.400 4.176 3.825 4.435 . 0 0 "[ . 1 . 2]" 1 1725 2 15 LEU QD 2 21 VAL HA . . 3.180 2.077 1.593 2.388 . 0 0 "[ . 1 . 2]" 1 1726 2 15 LEU QD 2 21 VAL HB . . 4.390 4.145 3.539 4.447 0.057 11 0 "[ . 1 . 2]" 1 1727 2 15 LEU QD 2 21 VAL QG . . 2.720 2.556 1.893 2.930 0.210 17 0 "[ . 1 . 2]" 1 1728 2 15 LEU QD 2 22 GLU H . . 3.780 2.538 1.782 3.623 . 0 0 "[ . 1 . 2]" 1 1729 2 15 LEU QD 2 22 GLU HA . . 4.800 3.584 3.196 4.493 . 0 0 "[ . 1 . 2]" 1 1730 2 15 LEU QD 2 23 PHE H . . 4.170 3.191 2.952 4.072 . 0 0 "[ . 1 . 2]" 1 1731 2 15 LEU QD 2 23 PHE HA . . 3.330 2.088 1.898 2.489 . 0 0 "[ . 1 . 2]" 1 1732 2 15 LEU QD 2 23 PHE HB2 . . 4.460 4.229 4.001 4.718 0.258 7 0 "[ . 1 . 2]" 1 1733 2 15 LEU QD 2 23 PHE HB3 . . 4.190 3.863 3.597 4.074 . 0 0 "[ . 1 . 2]" 1 1734 2 15 LEU QD 2 23 PHE QD . . 3.140 2.105 1.755 2.498 . 0 0 "[ . 1 . 2]" 1 1735 2 15 LEU QD 2 24 ARG H . . 4.030 3.357 3.038 3.675 . 0 0 "[ . 1 . 2]" 1 1736 2 15 LEU QD 2 24 ARG HB3 . . 5.440 5.027 4.736 5.429 . 0 0 "[ . 1 . 2]" 1 1737 2 15 LEU QD 2 25 ASP H . . 5.440 5.143 4.792 5.421 . 0 0 "[ . 1 . 2]" 1 1738 2 15 LEU QD 2 58 ALA HA . . 4.140 3.477 2.592 4.329 0.189 5 0 "[ . 1 . 2]" 1 1739 2 15 LEU QD 2 59 ARG H . . 4.570 2.462 1.929 3.333 . 0 0 "[ . 1 . 2]" 1 1740 2 15 LEU QD 2 59 ARG QB . . 3.760 1.896 1.779 1.958 . 0 0 "[ . 1 . 2]" 1 1741 2 15 LEU QD 2 59 ARG QD . . 3.900 3.474 2.521 4.137 0.237 8 0 "[ . 1 . 2]" 1 1742 2 15 LEU QD 2 60 TYR H . . 5.440 4.938 4.635 5.278 . 0 0 "[ . 1 . 2]" 1 1743 2 15 LEU MD1 2 16 LYS H . . 4.800 3.792 3.276 4.796 . 0 0 "[ . 1 . 2]" 1 1744 2 15 LEU MD1 2 21 VAL HA . . 4.120 2.226 1.598 4.160 0.040 7 0 "[ . 1 . 2]" 1 1745 2 15 LEU MD1 2 22 GLU H . . 5.250 2.868 1.782 4.522 . 0 0 "[ . 1 . 2]" 1 1746 2 15 LEU MD1 2 23 PHE H . . 5.500 3.858 2.965 5.561 0.061 4 0 "[ . 1 . 2]" 1 1747 2 15 LEU MD1 2 23 PHE QD . . 3.720 2.848 1.886 4.294 0.574 5 1 "[ + 1 . 2]" 1 1748 2 15 LEU MD1 2 59 ARG QB . . 4.520 3.199 1.781 4.114 . 0 0 "[ . 1 . 2]" 1 1749 2 15 LEU MD2 2 16 LYS H . . 4.800 4.390 3.408 4.900 0.100 3 0 "[ . 1 . 2]" 1 1750 2 15 LEU MD2 2 21 VAL HA . . 4.120 3.419 1.868 4.228 0.108 11 0 "[ . 1 . 2]" 1 1751 2 15 LEU MD2 2 22 GLU H . . 5.250 4.306 2.410 5.443 0.193 15 0 "[ . 1 . 2]" 1 1752 2 15 LEU MD2 2 23 PHE H . . 5.500 4.786 3.074 5.607 0.107 2 0 "[ . 1 . 2]" 1 1753 2 15 LEU MD2 2 23 PHE QD . . 3.720 2.816 1.757 3.798 0.078 7 0 "[ . 1 . 2]" 1 1754 2 15 LEU MD2 2 59 ARG QB . . 4.520 2.441 1.802 4.133 . 0 0 "[ . 1 . 2]" 1 1755 2 16 LYS H 2 16 LYS HB2 . . 3.710 2.534 2.308 3.734 0.024 3 0 "[ . 1 . 2]" 1 1756 2 16 LYS H 2 16 LYS QB . . 3.190 2.464 2.281 3.063 . 0 0 "[ . 1 . 2]" 1 1757 2 16 LYS H 2 16 LYS HB3 . . 3.710 3.610 3.254 3.662 . 0 0 "[ . 1 . 2]" 1 1758 2 16 LYS H 2 16 LYS QD . . 4.930 3.987 2.886 4.500 . 0 0 "[ . 1 . 2]" 1 1759 2 16 LYS H 2 16 LYS QE . . 5.330 4.259 3.379 4.705 . 0 0 "[ . 1 . 2]" 1 1760 2 16 LYS H 2 16 LYS QG . . 3.260 2.378 2.025 2.777 . 0 0 "[ . 1 . 2]" 1 1761 2 16 LYS H 2 17 ASP H . . 3.710 2.476 2.152 2.626 . 0 0 "[ . 1 . 2]" 1 1762 2 16 LYS H 2 17 ASP QB . . 5.250 4.471 3.812 4.758 . 0 0 "[ . 1 . 2]" 1 1763 2 16 LYS H 2 22 GLU H . . 5.430 3.794 3.038 4.648 . 0 0 "[ . 1 . 2]" 1 1764 2 16 LYS H 2 23 PHE QD . . 5.500 5.598 5.436 5.740 0.240 1 0 "[ . 1 . 2]" 1 1765 2 16 LYS H 2 24 ARG HA . . 4.430 3.815 3.425 4.206 . 0 0 "[ . 1 . 2]" 1 1766 2 16 LYS H 2 24 ARG HB2 . . 4.200 3.487 3.012 3.864 . 0 0 "[ . 1 . 2]" 1 1767 2 16 LYS H 2 24 ARG QD . . 5.340 5.229 4.787 5.574 0.234 15 0 "[ . 1 . 2]" 1 1768 2 16 LYS HA 2 16 LYS QG . . 3.600 2.518 2.393 3.478 . 0 0 "[ . 1 . 2]" 1 1769 2 16 LYS HA 2 24 ARG H . . 5.130 4.579 4.320 5.009 . 0 0 "[ . 1 . 2]" 1 1770 2 16 LYS HA 2 24 ARG HB2 . . 4.690 2.828 2.368 3.238 . 0 0 "[ . 1 . 2]" 1 1771 2 16 LYS HA 2 24 ARG HB3 . . 4.750 4.536 4.046 4.896 0.146 3 0 "[ . 1 . 2]" 1 1772 2 16 LYS HA 2 24 ARG QD . . 4.890 3.442 2.739 3.941 . 0 0 "[ . 1 . 2]" 1 1773 2 16 LYS HA 2 24 ARG QG . . 4.290 3.331 2.637 4.187 . 0 0 "[ . 1 . 2]" 1 1774 2 16 LYS QB 2 16 LYS QE . . 4.190 3.278 1.942 3.889 . 0 0 "[ . 1 . 2]" 1 1775 2 16 LYS QB 2 17 ASP H . . 4.390 2.795 2.247 3.989 . 0 0 "[ . 1 . 2]" 1 1776 2 16 LYS QB 2 17 ASP HA . . 5.340 4.317 4.059 4.625 . 0 0 "[ . 1 . 2]" 1 1777 2 16 LYS QB 2 17 ASP QB . . 4.340 3.441 3.099 4.481 0.141 3 0 "[ . 1 . 2]" 1 1778 2 16 LYS QB 2 24 ARG HA . . 4.310 4.026 2.907 4.379 0.069 4 0 "[ . 1 . 2]" 1 1779 2 16 LYS HB2 2 16 LYS QE . . 4.910 3.598 1.978 4.221 . 0 0 "[ . 1 . 2]" 1 1780 2 16 LYS HB2 2 24 ARG HA . . 4.960 4.560 4.111 4.966 0.006 4 0 "[ . 1 . 2]" 1 1781 2 16 LYS HB3 2 16 LYS QE . . 4.910 3.885 2.821 4.554 . 0 0 "[ . 1 . 2]" 1 1782 2 16 LYS HB3 2 24 ARG HA . . 4.960 4.520 2.964 4.868 . 0 0 "[ . 1 . 2]" 1 1783 2 16 LYS QD 2 22 GLU QG . . 5.110 3.690 2.045 5.286 0.176 16 0 "[ . 1 . 2]" 1 1784 2 16 LYS QE 2 16 LYS QG . . 2.940 2.288 2.160 2.396 . 0 0 "[ . 1 . 2]" 1 1785 2 16 LYS QE 2 22 GLU HG2 . . 5.500 4.514 2.206 5.595 0.095 7 0 "[ . 1 . 2]" 1 1786 2 16 LYS QE 2 22 GLU HG3 . . 5.500 4.361 2.357 5.385 . 0 0 "[ . 1 . 2]" 1 1787 2 16 LYS QE 2 24 ARG H . . 4.890 4.853 4.508 5.023 0.133 5 0 "[ . 1 . 2]" 1 1788 2 16 LYS QE 2 24 ARG HA . . 3.630 3.253 2.316 3.854 0.224 16 0 "[ . 1 . 2]" 1 1789 2 16 LYS QG 2 24 ARG H . . 4.530 3.483 3.288 3.696 . 0 0 "[ . 1 . 2]" 1 1790 2 16 LYS QG 2 24 ARG HA . . 3.640 2.024 1.648 2.367 . 0 0 "[ . 1 . 2]" 1 1791 2 16 LYS QG 2 24 ARG HB3 . . 4.810 4.250 3.850 4.647 . 0 0 "[ . 1 . 2]" 1 1792 2 16 LYS QG 2 24 ARG QD . . 4.710 4.258 3.517 4.824 0.114 15 0 "[ . 1 . 2]" 1 1793 2 16 LYS QG 2 24 ARG QG . . 3.420 2.910 2.352 3.398 . 0 0 "[ . 1 . 2]" 1 1794 2 16 LYS HG2 2 17 ASP H . . 5.500 5.081 4.786 5.352 . 0 0 "[ . 1 . 2]" 1 1795 2 16 LYS HG2 2 24 ARG HA . . 4.170 2.364 2.052 2.604 . 0 0 "[ . 1 . 2]" 1 1796 2 16 LYS HG2 2 24 ARG HB3 . . 5.500 4.806 4.065 5.191 . 0 0 "[ . 1 . 2]" 1 1797 2 16 LYS HG3 2 17 ASP H . . 5.500 4.380 3.955 4.866 . 0 0 "[ . 1 . 2]" 1 1798 2 16 LYS HG3 2 24 ARG HA . . 4.170 2.291 1.670 2.781 . 0 0 "[ . 1 . 2]" 1 1799 2 16 LYS HG3 2 24 ARG HB3 . . 5.500 4.774 4.226 5.242 . 0 0 "[ . 1 . 2]" 1 1800 2 17 ASP H 2 17 ASP HB2 . . 4.200 3.096 2.500 3.483 . 0 0 "[ . 1 . 2]" 1 1801 2 17 ASP H 2 17 ASP QB . . 3.680 2.589 2.323 2.799 . 0 0 "[ . 1 . 2]" 1 1802 2 17 ASP H 2 17 ASP HB3 . . 4.200 2.824 2.560 3.690 . 0 0 "[ . 1 . 2]" 1 1803 2 17 ASP H 2 18 VAL H . . 5.500 4.432 4.345 4.602 . 0 0 "[ . 1 . 2]" 1 1804 2 17 ASP HA 2 18 VAL H . . 2.990 2.439 2.254 2.764 . 0 0 "[ . 1 . 2]" 1 1805 2 17 ASP HA 2 18 VAL MG2 . . 4.360 4.000 3.757 4.214 . 0 0 "[ . 1 . 2]" 1 1806 2 17 ASP QB 2 18 VAL H . . 4.000 3.295 1.884 3.546 . 0 0 "[ . 1 . 2]" 1 1807 2 17 ASP QB 2 19 ALA H . . 4.640 3.582 2.877 4.058 . 0 0 "[ . 1 . 2]" 1 1808 2 17 ASP QB 2 20 GLY H . . 4.800 2.317 2.048 2.964 . 0 0 "[ . 1 . 2]" 1 1809 2 17 ASP QB 2 20 GLY QA . . 5.180 2.169 1.755 3.434 . 0 0 "[ . 1 . 2]" 1 1810 2 17 ASP HB2 2 18 VAL H . . 4.560 3.910 3.101 4.211 . 0 0 "[ . 1 . 2]" 1 1811 2 17 ASP HB3 2 18 VAL H . . 4.560 3.571 1.901 3.858 . 0 0 "[ . 1 . 2]" 1 1812 2 18 VAL H 2 18 VAL HB . . 3.950 3.641 3.588 3.760 . 0 0 "[ . 1 . 2]" 1 1813 2 18 VAL H 2 18 VAL MG1 . . 3.630 2.441 2.222 3.044 . 0 0 "[ . 1 . 2]" 1 1814 2 18 VAL H 2 18 VAL MG2 . . 3.180 1.985 1.901 2.101 . 0 0 "[ . 1 . 2]" 1 1815 2 18 VAL H 2 19 ALA H . . 3.670 2.651 2.036 2.887 . 0 0 "[ . 1 . 2]" 1 1816 2 18 VAL HA 2 18 VAL MG1 . . 3.040 2.327 2.300 2.365 . 0 0 "[ . 1 . 2]" 1 1817 2 18 VAL HA 2 18 VAL MG2 . . 3.470 3.268 3.256 3.280 . 0 0 "[ . 1 . 2]" 1 1818 2 18 VAL HB 2 19 ALA H . . 3.550 3.597 3.464 3.663 0.113 18 0 "[ . 1 . 2]" 1 1819 2 18 VAL HB 2 19 ALA MB . . 4.710 4.257 3.885 4.692 . 0 0 "[ . 1 . 2]" 1 1820 2 18 VAL HB 2 20 GLY H . . 5.300 5.412 5.336 5.471 0.171 12 0 "[ . 1 . 2]" 1 1821 2 18 VAL MG1 2 19 ALA H . . 4.030 4.033 3.948 4.095 0.065 12 0 "[ . 1 . 2]" 1 1822 2 18 VAL MG2 2 19 ALA H . . 3.460 2.025 1.892 2.142 . 0 0 "[ . 1 . 2]" 1 1823 2 18 VAL MG2 2 20 GLY H . . 4.250 3.805 3.545 4.237 . 0 0 "[ . 1 . 2]" 1 1824 2 19 ALA H 2 19 ALA MB . . 2.750 2.354 2.256 2.488 . 0 0 "[ . 1 . 2]" 1 1825 2 19 ALA H 2 20 GLY H . . 3.240 2.140 1.833 2.603 . 0 0 "[ . 1 . 2]" 1 1826 2 19 ALA MB 2 20 GLY H . . 3.700 2.965 2.732 3.348 . 0 0 "[ . 1 . 2]" 1 1827 2 19 ALA MB 2 20 GLY HA2 . . 5.000 4.035 3.884 4.203 . 0 0 "[ . 1 . 2]" 1 1828 2 19 ALA MB 2 20 GLY QA . . 4.270 3.737 3.628 3.913 . 0 0 "[ . 1 . 2]" 1 1829 2 19 ALA MB 2 20 GLY HA3 . . 5.000 4.422 4.190 4.724 . 0 0 "[ . 1 . 2]" 1 1830 2 20 GLY QA 2 21 VAL H . . 2.650 2.178 2.124 2.307 . 0 0 "[ . 1 . 2]" 1 1831 2 20 GLY QA 2 21 VAL QG . . 4.300 3.529 3.144 3.810 . 0 0 "[ . 1 . 2]" 1 1832 2 20 GLY QA 2 22 GLU H . . 5.150 3.521 3.163 4.047 . 0 0 "[ . 1 . 2]" 1 1833 2 20 GLY HA2 2 21 VAL H . . 3.410 2.237 2.148 2.673 . 0 0 "[ . 1 . 2]" 1 1834 2 20 GLY HA3 2 21 VAL H . . 3.410 3.221 2.522 3.480 0.070 4 0 "[ . 1 . 2]" 1 1835 2 21 VAL H 2 21 VAL HB . . 3.200 2.680 2.452 3.163 . 0 0 "[ . 1 . 2]" 1 1836 2 21 VAL H 2 21 VAL MG1 . . 3.960 3.194 1.969 3.875 . 0 0 "[ . 1 . 2]" 1 1837 2 21 VAL H 2 21 VAL QG . . 3.070 2.181 1.963 2.461 . 0 0 "[ . 1 . 2]" 1 1838 2 21 VAL H 2 21 VAL MG2 . . 3.960 2.864 2.050 4.043 0.083 17 0 "[ . 1 . 2]" 1 1839 2 21 VAL H 2 22 GLU H . . 3.460 3.190 2.006 3.756 0.296 11 0 "[ . 1 . 2]" 1 1840 2 21 VAL H 2 22 GLU QG . . 5.340 4.074 3.305 5.006 . 0 0 "[ . 1 . 2]" 1 1841 2 21 VAL HA 2 21 VAL MG1 . . 3.220 2.756 2.366 3.278 0.058 3 0 "[ . 1 . 2]" 1 1842 2 21 VAL HA 2 21 VAL MG2 . . 3.220 2.448 2.283 2.605 . 0 0 "[ . 1 . 2]" 1 1843 2 21 VAL HA 2 22 GLU H . . 2.980 2.689 2.297 3.130 0.150 9 0 "[ . 1 . 2]" 1 1844 2 21 VAL MG1 2 22 GLU H . . 4.380 3.889 3.382 4.334 . 0 0 "[ . 1 . 2]" 1 1845 2 21 VAL MG2 2 22 GLU H . . 4.380 4.321 4.023 4.404 0.024 18 0 "[ . 1 . 2]" 1 1846 2 22 GLU H 2 22 GLU QB . . 3.640 2.674 2.331 3.323 . 0 0 "[ . 1 . 2]" 1 1847 2 22 GLU H 2 22 GLU HG2 . . 4.880 3.419 2.201 4.489 . 0 0 "[ . 1 . 2]" 1 1848 2 22 GLU H 2 22 GLU QG . . 4.230 2.884 2.183 3.746 . 0 0 "[ . 1 . 2]" 1 1849 2 22 GLU H 2 22 GLU HG3 . . 4.880 3.491 2.559 4.362 . 0 0 "[ . 1 . 2]" 1 1850 2 22 GLU H 2 23 PHE H . . 4.540 4.170 3.847 4.386 . 0 0 "[ . 1 . 2]" 1 1851 2 22 GLU HA 2 22 GLU QG . . 3.660 2.884 2.433 3.588 . 0 0 "[ . 1 . 2]" 1 1852 2 22 GLU HA 2 23 PHE H . . 2.700 2.193 2.116 2.257 . 0 0 "[ . 1 . 2]" 1 1853 2 22 GLU HA 2 23 PHE HB2 . . 5.250 4.621 4.450 4.733 . 0 0 "[ . 1 . 2]" 1 1854 2 22 GLU QB 2 23 PHE H . . 3.730 3.507 3.271 3.776 0.046 3 0 "[ . 1 . 2]" 1 1855 2 22 GLU HB2 2 23 PHE H . . 4.520 4.185 3.395 4.557 0.037 6 0 "[ . 1 . 2]" 1 1856 2 22 GLU HB3 2 23 PHE H . . 4.520 3.882 3.525 4.334 . 0 0 "[ . 1 . 2]" 1 1857 2 22 GLU QG 2 23 PHE H . . 4.850 4.519 4.127 4.961 0.111 7 0 "[ . 1 . 2]" 1 1858 2 23 PHE H 2 23 PHE HB2 . . 3.110 2.520 2.397 2.635 . 0 0 "[ . 1 . 2]" 1 1859 2 23 PHE H 2 23 PHE HB3 . . 3.710 3.609 3.575 3.668 . 0 0 "[ . 1 . 2]" 1 1860 2 23 PHE H 2 23 PHE QD . . 3.480 3.015 2.455 3.233 . 0 0 "[ . 1 . 2]" 1 1861 2 23 PHE H 2 24 ARG H . . 4.720 4.503 4.285 4.669 . 0 0 "[ . 1 . 2]" 1 1862 2 23 PHE H 2 26 LEU QD . . 4.410 3.964 3.589 4.339 . 0 0 "[ . 1 . 2]" 1 1863 2 23 PHE HA 2 23 PHE QD . . 3.530 2.311 2.076 2.786 . 0 0 "[ . 1 . 2]" 1 1864 2 23 PHE HA 2 24 ARG H . . 2.890 2.162 2.092 2.313 . 0 0 "[ . 1 . 2]" 1 1865 2 23 PHE HB2 2 24 ARG H . . 4.620 4.257 3.913 4.492 . 0 0 "[ . 1 . 2]" 1 1866 2 23 PHE HB2 2 26 LEU HA . . 5.130 4.142 3.634 4.677 . 0 0 "[ . 1 . 2]" 1 1867 2 23 PHE HB2 2 26 LEU QD . . 3.220 2.212 1.981 2.476 . 0 0 "[ . 1 . 2]" 1 1868 2 23 PHE HB2 2 26 LEU HG . . 5.000 4.678 3.700 5.053 0.053 12 0 "[ . 1 . 2]" 1 1869 2 23 PHE HB3 2 24 ARG H . . 3.910 3.388 2.755 3.827 . 0 0 "[ . 1 . 2]" 1 1870 2 23 PHE HB3 2 25 ASP H . . 3.730 3.309 2.765 3.759 0.029 18 0 "[ . 1 . 2]" 1 1871 2 23 PHE HB3 2 26 LEU H . . 5.290 4.855 4.549 5.380 0.090 5 0 "[ . 1 . 2]" 1 1872 2 23 PHE HB3 2 26 LEU QD . . 3.590 2.637 2.165 3.106 . 0 0 "[ . 1 . 2]" 1 1873 2 23 PHE HB3 2 26 LEU HG . . 5.500 5.351 4.031 5.742 0.242 15 0 "[ . 1 . 2]" 1 1874 2 23 PHE QD 2 24 ARG H . . 4.380 3.874 3.415 4.214 . 0 0 "[ . 1 . 2]" 1 1875 2 23 PHE QD 2 26 LEU QD . . 3.470 2.538 2.032 3.223 . 0 0 "[ . 1 . 2]" 1 1876 2 24 ARG H 2 24 ARG HB2 . . 2.970 2.499 2.350 2.702 . 0 0 "[ . 1 . 2]" 1 1877 2 24 ARG H 2 24 ARG HB3 . . 3.680 2.549 2.413 2.733 . 0 0 "[ . 1 . 2]" 1 1878 2 24 ARG H 2 24 ARG QD . . 4.770 4.484 4.357 4.763 . 0 0 "[ . 1 . 2]" 1 1879 2 24 ARG H 2 24 ARG QG . . 4.510 4.004 3.960 4.049 . 0 0 "[ . 1 . 2]" 1 1880 2 24 ARG H 2 25 ASP H . . 3.220 2.747 2.366 2.954 . 0 0 "[ . 1 . 2]" 1 1881 2 24 ARG H 2 26 LEU QD . . 5.290 4.844 4.492 5.386 0.096 5 0 "[ . 1 . 2]" 1 1882 2 24 ARG HA 2 24 ARG QD . . 4.470 4.089 3.989 4.173 . 0 0 "[ . 1 . 2]" 1 1883 2 24 ARG HA 2 24 ARG QG . . 3.480 2.527 2.466 2.654 . 0 0 "[ . 1 . 2]" 1 1884 2 24 ARG HB2 2 24 ARG QD . . 3.000 2.461 2.391 2.593 . 0 0 "[ . 1 . 2]" 1 1885 2 24 ARG HB2 2 25 ASP H . . 4.040 3.825 3.603 3.990 . 0 0 "[ . 1 . 2]" 1 1886 2 24 ARG HB3 2 24 ARG QD . . 3.540 2.523 2.404 3.038 . 0 0 "[ . 1 . 2]" 1 1887 2 24 ARG HB3 2 25 ASP H . . 3.210 2.531 2.309 2.820 . 0 0 "[ . 1 . 2]" 1 1888 2 24 ARG HB3 2 25 ASP QB . . 4.780 3.712 3.483 3.987 . 0 0 "[ . 1 . 2]" 1 1889 2 24 ARG QG 2 25 ASP H . . 4.330 3.612 3.420 3.855 . 0 0 "[ . 1 . 2]" 1 1890 2 24 ARG QG 2 25 ASP QB . . 4.580 3.202 2.745 4.456 . 0 0 "[ . 1 . 2]" 1 1891 2 24 ARG HG2 2 25 ASP H . . 5.090 3.751 3.521 4.038 . 0 0 "[ . 1 . 2]" 1 1892 2 24 ARG HG3 2 25 ASP H . . 5.090 4.718 4.542 4.884 . 0 0 "[ . 1 . 2]" 1 1893 2 25 ASP H 2 25 ASP HB2 . . 3.610 3.305 2.608 3.641 0.031 12 0 "[ . 1 . 2]" 1 1894 2 25 ASP H 2 25 ASP QB . . 3.150 2.768 2.561 2.916 . 0 0 "[ . 1 . 2]" 1 1895 2 25 ASP H 2 25 ASP HB3 . . 3.610 3.085 2.877 3.837 0.227 7 0 "[ . 1 . 2]" 1 1896 2 25 ASP H 2 26 LEU H . . 4.080 4.142 4.008 4.267 0.187 5 0 "[ . 1 . 2]" 1 1897 2 25 ASP H 2 26 LEU QD . . 4.830 3.917 3.634 4.693 . 0 0 "[ . 1 . 2]" 1 1898 2 25 ASP H 2 28 LYS H . . 5.220 4.388 3.789 4.755 . 0 0 "[ . 1 . 2]" 1 1899 2 25 ASP HA 2 26 LEU H . . 2.770 2.168 2.090 2.369 . 0 0 "[ . 1 . 2]" 1 1900 2 25 ASP HA 2 26 LEU HB2 . . 5.040 4.531 4.353 4.726 . 0 0 "[ . 1 . 2]" 1 1901 2 25 ASP HA 2 26 LEU HG . . 5.500 5.081 2.957 5.592 0.092 7 0 "[ . 1 . 2]" 1 1902 2 25 ASP QB 2 27 SER H . . 4.350 3.514 2.443 3.971 . 0 0 "[ . 1 . 2]" 1 1903 2 25 ASP QB 2 28 LYS H . . 3.880 2.875 2.336 3.209 . 0 0 "[ . 1 . 2]" 1 1904 2 25 ASP QB 2 28 LYS HB2 . . 4.000 2.178 1.811 3.240 . 0 0 "[ . 1 . 2]" 1 1905 2 25 ASP QB 2 28 LYS HB3 . . 4.850 3.657 3.357 4.328 . 0 0 "[ . 1 . 2]" 1 1906 2 25 ASP QB 2 28 LYS QD . . 4.540 3.716 2.123 4.331 . 0 0 "[ . 1 . 2]" 1 1907 2 25 ASP QB 2 28 LYS QG . . 4.410 2.404 1.781 3.401 . 0 0 "[ . 1 . 2]" 1 1908 2 25 ASP QB 2 29 VAL QG . . 5.280 4.629 4.123 5.305 0.025 12 0 "[ . 1 . 2]" 1 1909 2 25 ASP HB2 2 26 LEU H . . 5.370 4.160 3.813 4.429 . 0 0 "[ . 1 . 2]" 1 1910 2 25 ASP HB2 2 27 SER H . . 5.010 4.530 3.342 4.925 . 0 0 "[ . 1 . 2]" 1 1911 2 25 ASP HB2 2 28 LYS H . . 4.670 4.224 2.451 4.656 . 0 0 "[ . 1 . 2]" 1 1912 2 25 ASP HB2 2 28 LYS HB2 . . 4.640 3.612 1.825 4.539 . 0 0 "[ . 1 . 2]" 1 1913 2 25 ASP HB3 2 26 LEU H . . 5.370 3.969 2.965 4.329 . 0 0 "[ . 1 . 2]" 1 1914 2 25 ASP HB3 2 27 SER H . . 5.010 3.675 2.511 4.236 . 0 0 "[ . 1 . 2]" 1 1915 2 25 ASP HB3 2 28 LYS H . . 4.670 2.959 2.755 3.272 . 0 0 "[ . 1 . 2]" 1 1916 2 25 ASP HB3 2 28 LYS HB2 . . 4.640 2.392 1.817 3.669 . 0 0 "[ . 1 . 2]" 1 1917 2 26 LEU H 2 26 LEU HB2 . . 3.780 2.426 2.284 2.557 . 0 0 "[ . 1 . 2]" 1 1918 2 26 LEU H 2 26 LEU HB3 . . 3.800 3.571 3.500 3.631 . 0 0 "[ . 1 . 2]" 1 1919 2 26 LEU H 2 26 LEU MD1 . . 4.180 3.332 2.921 3.659 . 0 0 "[ . 1 . 2]" 1 1920 2 26 LEU H 2 26 LEU QD . . 3.580 2.116 1.642 3.161 . 0 0 "[ . 1 . 2]" 1 1921 2 26 LEU H 2 26 LEU MD2 . . 4.180 2.216 1.651 3.616 . 0 0 "[ . 1 . 2]" 1 1922 2 26 LEU H 2 26 LEU HG . . 3.210 3.538 2.200 3.959 0.749 12 15 "[ **.*-*** + *******]" 1 1923 2 26 LEU H 2 27 SER H . . 3.330 2.577 2.237 2.753 . 0 0 "[ . 1 . 2]" 1 1924 2 26 LEU H 2 28 LYS H . . 4.710 3.935 3.325 4.160 . 0 0 "[ . 1 . 2]" 1 1925 2 26 LEU HA 2 26 LEU QD . . 2.830 2.098 2.005 2.352 . 0 0 "[ . 1 . 2]" 1 1926 2 26 LEU HA 2 26 LEU HG . . 4.060 3.598 3.001 3.758 . 0 0 "[ . 1 . 2]" 1 1927 2 26 LEU HA 2 28 LYS H . . 4.540 3.843 3.157 4.176 . 0 0 "[ . 1 . 2]" 1 1928 2 26 LEU HA 2 29 VAL QG . . 3.640 2.054 1.722 2.730 . 0 0 "[ . 1 . 2]" 1 1929 2 26 LEU HB2 2 27 SER H . . 3.550 3.336 2.959 3.635 0.085 12 0 "[ . 1 . 2]" 1 1930 2 26 LEU HB3 2 27 SER H . . 4.550 4.150 3.953 4.354 . 0 0 "[ . 1 . 2]" 1 1931 2 26 LEU HB3 2 29 VAL QG . . 4.720 3.388 2.894 3.870 . 0 0 "[ . 1 . 2]" 1 1932 2 26 LEU QD 2 27 SER H . . 4.750 3.943 3.650 4.311 . 0 0 "[ . 1 . 2]" 1 1933 2 26 LEU QD 2 29 VAL H . . 5.440 4.681 4.284 5.087 . 0 0 "[ . 1 . 2]" 1 1934 2 26 LEU MD1 2 27 SER H . . 5.500 4.727 4.439 4.892 . 0 0 "[ . 1 . 2]" 1 1935 2 26 LEU MD1 2 28 LYS H . . 5.500 5.485 4.932 6.185 0.685 1 2 "[+- . 1 . 2]" 1 1936 2 26 LEU MD2 2 27 SER H . . 5.500 4.250 3.830 4.853 . 0 0 "[ . 1 . 2]" 1 1937 2 26 LEU MD2 2 28 LYS H . . 5.500 5.192 4.844 5.346 . 0 0 "[ . 1 . 2]" 1 1938 2 27 SER H 2 27 SER QB . . 2.980 2.446 2.277 2.682 . 0 0 "[ . 1 . 2]" 1 1939 2 27 SER H 2 28 LYS H . . 2.920 2.231 1.981 2.447 . 0 0 "[ . 1 . 2]" 1 1940 2 27 SER H 2 28 LYS QG . . 5.010 4.057 3.662 4.547 . 0 0 "[ . 1 . 2]" 1 1941 2 27 SER H 2 29 VAL H . . 4.320 3.870 3.630 4.140 . 0 0 "[ . 1 . 2]" 1 1942 2 27 SER H 2 29 VAL QG . . 4.690 3.910 3.597 4.453 . 0 0 "[ . 1 . 2]" 1 1943 2 27 SER HA 2 29 VAL H . . 4.560 3.703 3.439 4.062 . 0 0 "[ . 1 . 2]" 1 1944 2 28 LYS H 2 28 LYS HB2 . . 3.000 2.467 2.356 2.676 . 0 0 "[ . 1 . 2]" 1 1945 2 28 LYS H 2 28 LYS HB3 . . 3.970 3.671 3.619 3.812 . 0 0 "[ . 1 . 2]" 1 1946 2 28 LYS H 2 28 LYS HG2 . . 4.060 3.090 2.401 4.044 . 0 0 "[ . 1 . 2]" 1 1947 2 28 LYS H 2 28 LYS QG . . 3.410 2.716 2.376 3.091 . 0 0 "[ . 1 . 2]" 1 1948 2 28 LYS H 2 28 LYS HG3 . . 4.060 3.619 2.533 4.127 0.067 2 0 "[ . 1 . 2]" 1 1949 2 28 LYS H 2 29 VAL H . . 3.000 2.508 2.264 2.751 . 0 0 "[ . 1 . 2]" 1 1950 2 28 LYS H 2 29 VAL QG . . 3.950 3.476 3.254 3.755 . 0 0 "[ . 1 . 2]" 1 1951 2 28 LYS HA 2 28 LYS QD . . 3.900 2.829 2.037 4.060 0.160 14 0 "[ . 1 . 2]" 1 1952 2 28 LYS HA 2 28 LYS HG2 . . 3.930 2.887 2.452 3.198 . 0 0 "[ . 1 . 2]" 1 1953 2 28 LYS HA 2 28 LYS QG . . 3.380 2.774 2.366 3.051 . 0 0 "[ . 1 . 2]" 1 1954 2 28 LYS HA 2 28 LYS HG3 . . 3.930 3.594 3.054 3.856 . 0 0 "[ . 1 . 2]" 1 1955 2 28 LYS HB3 2 29 VAL H . . 4.750 4.325 4.058 4.470 . 0 0 "[ . 1 . 2]" 1 1956 2 29 VAL H 2 29 VAL HB . . 3.790 3.282 2.360 3.766 . 0 0 "[ . 1 . 2]" 1 1957 2 29 VAL H 2 29 VAL QG . . 3.060 2.073 1.891 2.520 . 0 0 "[ . 1 . 2]" 1 1958 2 29 VAL H 2 30 GLU H . . 4.740 4.313 4.082 4.556 . 0 0 "[ . 1 . 2]" 1 1959 2 29 VAL H 2 30 GLU QB . . 5.500 5.550 5.414 5.673 0.173 3 0 "[ . 1 . 2]" 1 1960 2 29 VAL HA 2 30 GLU H . . 2.970 2.173 2.111 2.245 . 0 0 "[ . 1 . 2]" 1 1961 2 29 VAL HA 2 31 PHE H . . 5.500 5.441 5.230 5.614 0.114 5 0 "[ . 1 . 2]" 1 1962 2 29 VAL HB 2 30 GLU H . . 4.650 3.886 2.899 4.557 . 0 0 "[ . 1 . 2]" 1 1963 2 29 VAL QG 2 30 GLU H . . 4.210 3.496 3.218 3.783 . 0 0 "[ . 1 . 2]" 1 1964 2 29 VAL QG 2 31 PHE H . . 4.780 3.913 3.597 4.309 . 0 0 "[ . 1 . 2]" 1 1965 2 29 VAL QG 2 31 PHE QE . . 4.250 2.604 2.150 3.087 . 0 0 "[ . 1 . 2]" 1 1966 2 30 GLU H 2 30 GLU QB . . 3.240 2.334 2.286 2.492 . 0 0 "[ . 1 . 2]" 1 1967 2 30 GLU H 2 30 GLU HG2 . . 4.900 4.436 4.388 4.491 . 0 0 "[ . 1 . 2]" 1 1968 2 30 GLU H 2 30 GLU HG3 . . 4.760 4.608 4.523 4.743 . 0 0 "[ . 1 . 2]" 1 1969 2 30 GLU HA 2 30 GLU HG2 . . 4.190 3.170 3.003 3.312 . 0 0 "[ . 1 . 2]" 1 1970 2 30 GLU HA 2 30 GLU HG3 . . 3.850 2.614 2.558 2.701 . 0 0 "[ . 1 . 2]" 1 1971 2 30 GLU HA 2 31 PHE H . . 2.690 2.152 2.102 2.191 . 0 0 "[ . 1 . 2]" 1 1972 2 30 GLU QB 2 31 PHE H . . 4.150 3.956 3.897 4.003 . 0 0 "[ . 1 . 2]" 1 1973 2 30 GLU QB 2 60 TYR QE . . 3.650 2.042 1.747 2.609 . 0 0 "[ . 1 . 2]" 1 1974 2 30 GLU HG2 2 31 PHE H . . 4.640 3.756 3.429 4.085 . 0 0 "[ . 1 . 2]" 1 1975 2 30 GLU HG2 2 32 VAL H . . 5.500 4.095 3.729 4.491 . 0 0 "[ . 1 . 2]" 1 1976 2 30 GLU HG2 2 32 VAL HA . . 5.290 3.290 2.879 3.806 . 0 0 "[ . 1 . 2]" 1 1977 2 30 GLU HG2 2 32 VAL MG2 . . 3.960 3.528 2.953 3.972 0.012 19 0 "[ . 1 . 2]" 1 1978 2 30 GLU HG2 2 60 TYR QE . . 4.990 2.982 2.403 3.581 . 0 0 "[ . 1 . 2]" 1 1979 2 30 GLU HG3 2 31 PHE H . . 3.760 3.764 3.583 3.873 0.113 11 0 "[ . 1 . 2]" 1 1980 2 30 GLU HG3 2 32 VAL HA . . 5.190 4.655 4.109 5.179 . 0 0 "[ . 1 . 2]" 1 1981 2 30 GLU HG3 2 32 VAL MG2 . . 5.250 5.010 4.463 5.382 0.132 19 0 "[ . 1 . 2]" 1 1982 2 31 PHE H 2 31 PHE QB . . 3.660 2.478 2.420 2.537 . 0 0 "[ . 1 . 2]" 1 1983 2 31 PHE H 2 31 PHE QD . . 4.660 2.226 1.859 2.507 . 0 0 "[ . 1 . 2]" 1 1984 2 31 PHE H 2 31 PHE QE . . 4.820 4.131 4.031 4.329 . 0 0 "[ . 1 . 2]" 1 1985 2 31 PHE H 2 32 VAL H . . 4.840 4.328 4.201 4.464 . 0 0 "[ . 1 . 2]" 1 1986 2 31 PHE H 2 32 VAL HA . . 5.500 5.305 5.158 5.467 . 0 0 "[ . 1 . 2]" 1 1987 2 31 PHE H 2 32 VAL MG2 . . 5.430 5.187 5.021 5.419 . 0 0 "[ . 1 . 2]" 1 1988 2 31 PHE HA 2 31 PHE QD . . 3.460 2.979 2.769 3.177 . 0 0 "[ . 1 . 2]" 1 1989 2 31 PHE HA 2 31 PHE QE . . 5.030 4.724 4.630 4.812 . 0 0 "[ . 1 . 2]" 1 1990 2 31 PHE HA 2 32 VAL H . . 3.090 2.158 2.131 2.195 . 0 0 "[ . 1 . 2]" 1 1991 2 31 PHE QD 2 32 VAL H . . 5.150 4.623 4.426 4.750 . 0 0 "[ . 1 . 2]" 1 1992 2 32 VAL H 2 32 VAL HB . . 3.380 2.598 2.537 2.688 . 0 0 "[ . 1 . 2]" 1 1993 2 32 VAL H 2 32 VAL MG1 . . 4.520 3.811 3.783 3.836 . 0 0 "[ . 1 . 2]" 1 1994 2 32 VAL H 2 32 VAL MG2 . . 3.130 1.979 1.931 2.073 . 0 0 "[ . 1 . 2]" 1 1995 2 32 VAL HA 2 32 VAL MG1 . . 3.130 2.473 2.421 2.514 . 0 0 "[ . 1 . 2]" 1 1996 2 32 VAL HA 2 32 VAL MG2 . . 3.000 2.474 2.417 2.525 . 0 0 "[ . 1 . 2]" 1 1997 2 32 VAL HB 2 33 GLY H . . 4.280 2.698 2.403 2.967 . 0 0 "[ . 1 . 2]" 1 1998 2 32 VAL HB 2 60 TYR QD . . 5.470 4.620 4.484 4.802 . 0 0 "[ . 1 . 2]" 1 1999 2 32 VAL MG1 2 33 GLY QA . . 5.340 3.829 3.519 4.098 . 0 0 "[ . 1 . 2]" 1 2000 2 32 VAL MG1 2 48 LYS HD3 . . 3.910 2.384 2.028 2.676 . 0 0 "[ . 1 . 2]" 1 2001 2 32 VAL MG1 2 48 LYS HE2 . . 4.420 3.176 2.878 3.621 . 0 0 "[ . 1 . 2]" 1 2002 2 32 VAL MG1 2 48 LYS QE . . 3.680 3.100 2.823 3.483 . 0 0 "[ . 1 . 2]" 1 2003 2 32 VAL MG1 2 48 LYS HE3 . . 4.420 4.340 4.081 4.524 0.104 14 0 "[ . 1 . 2]" 1 2004 2 32 VAL MG1 2 60 TYR QE . . 5.220 5.037 4.818 5.229 0.009 1 0 "[ . 1 . 2]" 1 2005 2 32 VAL MG2 2 48 LYS HE2 . . 3.980 2.370 2.013 2.714 . 0 0 "[ . 1 . 2]" 1 2006 2 32 VAL MG2 2 48 LYS QE . . 3.260 2.345 2.002 2.676 . 0 0 "[ . 1 . 2]" 1 2007 2 32 VAL MG2 2 48 LYS HE3 . . 3.980 3.752 3.473 4.072 0.092 14 0 "[ . 1 . 2]" 1 2008 2 32 VAL MG2 2 60 TYR H . . 5.500 5.545 5.394 5.681 0.181 16 0 "[ . 1 . 2]" 1 2009 2 32 VAL MG2 2 60 TYR HB3 . . 5.320 2.603 2.382 2.812 . 0 0 "[ . 1 . 2]" 1 2010 2 32 VAL MG2 2 60 TYR QD . . 3.330 2.039 1.834 2.229 . 0 0 "[ . 1 . 2]" 1 2011 2 32 VAL MG2 2 60 TYR QE . . 3.180 3.087 2.816 3.270 0.090 9 0 "[ . 1 . 2]" 1 2012 2 33 GLY QA 2 34 ALA MB . . 4.610 3.633 3.556 3.731 . 0 0 "[ . 1 . 2]" 1 2013 2 34 ALA H 2 34 ALA MB . . 3.210 2.762 2.677 2.850 . 0 0 "[ . 1 . 2]" 1 2014 2 34 ALA H 2 35 TYR H . . 5.030 4.265 4.083 4.369 . 0 0 "[ . 1 . 2]" 1 2015 2 34 ALA HA 2 35 TYR H . . 2.910 2.329 2.168 2.535 . 0 0 "[ . 1 . 2]" 1 2016 2 34 ALA MB 2 35 TYR H . . 3.450 2.674 2.322 3.084 . 0 0 "[ . 1 . 2]" 1 2017 2 35 TYR H 2 35 TYR HB3 . . 4.050 3.726 3.589 3.837 . 0 0 "[ . 1 . 2]" 1 2018 2 35 TYR H 2 35 TYR QD . . 4.810 2.923 2.394 3.516 . 0 0 "[ . 1 . 2]" 1 2019 2 35 TYR H 2 36 PRO QD . . 4.640 4.493 4.379 4.559 . 0 0 "[ . 1 . 2]" 1 2020 2 35 TYR H 2 37 SER H . . 4.880 4.413 4.144 4.971 0.091 5 0 "[ . 1 . 2]" 1 2021 2 35 TYR H 2 40 GLU HB2 . . 5.500 5.125 4.903 5.526 0.026 8 0 "[ . 1 . 2]" 1 2022 2 35 TYR H 2 41 ALA H . . 5.500 5.075 4.788 5.490 . 0 0 "[ . 1 . 2]" 1 2023 2 35 TYR HA 2 36 PRO HG2 . . 4.940 4.772 4.530 4.925 . 0 0 "[ . 1 . 2]" 1 2024 2 35 TYR HA 2 36 PRO HG3 . . 4.940 4.663 4.135 4.856 . 0 0 "[ . 1 . 2]" 1 2025 2 35 TYR HB3 2 36 PRO QD . . 3.720 2.228 2.004 2.867 . 0 0 "[ . 1 . 2]" 1 2026 2 35 TYR HB3 2 37 SER H . . 3.580 2.858 2.475 3.140 . 0 0 "[ . 1 . 2]" 1 2027 2 35 TYR HB3 2 40 GLU H . . 4.700 4.560 4.342 4.716 0.016 12 0 "[ . 1 . 2]" 1 2028 2 35 TYR HB3 2 40 GLU HB2 . . 4.030 2.094 1.925 2.272 . 0 0 "[ . 1 . 2]" 1 2029 2 35 TYR HB3 2 40 GLU HB3 . . 4.000 2.617 2.106 3.022 . 0 0 "[ . 1 . 2]" 1 2030 2 35 TYR HB3 2 40 GLU HG2 . . 5.010 4.165 3.852 4.387 . 0 0 "[ . 1 . 2]" 1 2031 2 35 TYR HB3 2 40 GLU HG3 . . 4.390 3.353 3.022 3.671 . 0 0 "[ . 1 . 2]" 1 2032 2 35 TYR HB3 2 41 ALA H . . 3.980 3.832 3.541 4.025 0.045 15 0 "[ . 1 . 2]" 1 2033 2 35 TYR HB3 2 41 ALA MB . . 4.260 3.826 3.607 4.173 . 0 0 "[ . 1 . 2]" 1 2034 2 35 TYR QD 2 40 GLU HB2 . . 5.500 3.505 3.113 3.817 . 0 0 "[ . 1 . 2]" 1 2035 2 35 TYR QD 2 40 GLU HB3 . . 4.810 2.702 2.404 3.132 . 0 0 "[ . 1 . 2]" 1 2036 2 35 TYR QD 2 40 GLU HG2 . . 5.350 5.162 4.885 5.453 0.103 2 0 "[ . 1 . 2]" 1 2037 2 35 TYR QD 2 40 GLU HG3 . . 5.500 4.020 3.710 4.386 . 0 0 "[ . 1 . 2]" 1 2038 2 35 TYR QD 2 41 ALA HA . . 5.160 2.613 2.081 3.208 . 0 0 "[ . 1 . 2]" 1 2039 2 35 TYR QD 2 41 ALA MB . . 4.330 2.698 2.306 3.220 . 0 0 "[ . 1 . 2]" 1 2040 2 36 PRO QD 2 37 SER H . . 3.420 3.097 2.856 3.276 . 0 0 "[ . 1 . 2]" 1 2041 2 36 PRO QD 2 40 GLU HB2 . . 3.900 3.565 3.172 3.989 0.089 5 0 "[ . 1 . 2]" 1 2042 2 36 PRO QD 2 40 GLU HG3 . . 3.740 3.246 2.728 3.809 0.069 5 0 "[ . 1 . 2]" 1 2043 2 36 PRO QG 2 37 SER H . . 3.700 3.441 3.165 4.050 0.350 5 0 "[ . 1 . 2]" 1 2044 2 37 SER H 2 37 SER QB . . 3.510 2.823 2.631 2.919 . 0 0 "[ . 1 . 2]" 1 2045 2 37 SER H 2 38 TYR H . . 5.160 4.298 4.165 4.390 . 0 0 "[ . 1 . 2]" 1 2046 2 37 SER H 2 38 TYR HA . . 4.950 4.852 4.667 5.041 0.091 5 0 "[ . 1 . 2]" 1 2047 2 37 SER H 2 40 GLU H . . 4.440 4.319 3.873 4.487 0.047 14 0 "[ . 1 . 2]" 1 2048 2 37 SER H 2 40 GLU HB2 . . 3.580 3.039 2.373 3.286 . 0 0 "[ . 1 . 2]" 1 2049 2 37 SER H 2 40 GLU HB3 . . 4.760 4.487 3.783 4.794 0.034 15 0 "[ . 1 . 2]" 1 2050 2 37 SER H 2 40 GLU HG2 . . 5.340 3.898 3.236 4.380 . 0 0 "[ . 1 . 2]" 1 2051 2 37 SER H 2 40 GLU HG3 . . 4.680 3.668 3.043 4.280 . 0 0 "[ . 1 . 2]" 1 2052 2 37 SER H 2 41 ALA MB . . 4.320 4.423 4.277 4.526 0.206 4 0 "[ . 1 . 2]" 1 2053 2 37 SER HA 2 38 TYR H . . 3.090 2.277 2.169 2.452 . 0 0 "[ . 1 . 2]" 1 2054 2 37 SER HA 2 38 TYR HB2 . . 5.490 4.737 4.557 4.866 . 0 0 "[ . 1 . 2]" 1 2055 2 37 SER HA 2 38 TYR HB3 . . 5.400 4.664 4.486 4.834 . 0 0 "[ . 1 . 2]" 1 2056 2 38 TYR H 2 38 TYR HB2 . . 3.870 2.708 2.615 2.825 . 0 0 "[ . 1 . 2]" 1 2057 2 38 TYR H 2 38 TYR HB3 . . 3.870 2.410 2.302 2.515 . 0 0 "[ . 1 . 2]" 1 2058 2 38 TYR H 2 38 TYR QD . . 4.400 4.251 4.214 4.293 . 0 0 "[ . 1 . 2]" 1 2059 2 38 TYR H 2 39 ASP H . . 3.280 2.813 2.670 2.967 . 0 0 "[ . 1 . 2]" 1 2060 2 38 TYR H 2 40 GLU H . . 5.190 4.285 4.158 4.510 . 0 0 "[ . 1 . 2]" 1 2061 2 38 TYR HA 2 38 TYR QD . . 3.560 2.545 2.264 2.776 . 0 0 "[ . 1 . 2]" 1 2062 2 38 TYR HA 2 38 TYR QE . . 5.030 4.700 4.519 4.810 . 0 0 "[ . 1 . 2]" 1 2063 2 38 TYR HA 2 40 GLU H . . 4.640 4.340 4.259 4.503 . 0 0 "[ . 1 . 2]" 1 2064 2 38 TYR HB2 2 39 ASP H . . 4.300 4.036 3.890 4.209 . 0 0 "[ . 1 . 2]" 1 2065 2 38 TYR HB3 2 39 ASP H . . 4.300 2.718 2.511 2.971 . 0 0 "[ . 1 . 2]" 1 2066 2 38 TYR HB3 2 39 ASP HA . . 4.980 4.470 4.250 4.751 . 0 0 "[ . 1 . 2]" 1 2067 2 38 TYR QD 2 39 ASP H . . 3.940 3.725 3.104 4.139 0.199 9 0 "[ . 1 . 2]" 1 2068 2 38 TYR QD 2 39 ASP HB2 . . 5.270 4.170 2.883 5.327 0.057 9 0 "[ . 1 . 2]" 1 2069 2 38 TYR QE 2 42 HIS HB2 . . 4.620 3.427 2.893 3.791 . 0 0 "[ . 1 . 2]" 1 2070 2 38 TYR QE 2 42 HIS HB3 . . 5.450 4.659 4.153 5.052 . 0 0 "[ . 1 . 2]" 1 2071 2 38 TYR QE 2 62 ILE HB . . 5.170 4.562 3.856 5.202 0.032 10 0 "[ . 1 . 2]" 1 2072 2 38 TYR QE 2 62 ILE MD . . 4.180 3.241 2.414 4.118 . 0 0 "[ . 1 . 2]" 1 2073 2 39 ASP H 2 39 ASP HA . . 2.910 2.824 2.789 2.889 . 0 0 "[ . 1 . 2]" 1 2074 2 39 ASP H 2 39 ASP HB2 . . 2.770 2.528 2.391 2.618 . 0 0 "[ . 1 . 2]" 1 2075 2 39 ASP H 2 39 ASP HB3 . . 3.110 2.588 2.490 2.744 . 0 0 "[ . 1 . 2]" 1 2076 2 39 ASP H 2 40 GLU H . . 3.330 2.671 2.491 2.853 . 0 0 "[ . 1 . 2]" 1 2077 2 39 ASP H 2 40 GLU HG2 . . 5.500 4.187 3.954 4.550 . 0 0 "[ . 1 . 2]" 1 2078 2 39 ASP H 2 41 ALA H . . 4.400 4.225 4.007 4.420 0.020 12 0 "[ . 1 . 2]" 1 2079 2 39 ASP H 2 41 ALA MB . . 5.310 4.963 4.672 5.283 . 0 0 "[ . 1 . 2]" 1 2080 2 39 ASP H 2 42 HIS HB2 . . 5.500 5.024 4.679 5.298 . 0 0 "[ . 1 . 2]" 1 2081 2 39 ASP HA 2 41 ALA H . . 4.480 4.362 3.996 4.511 0.031 4 0 "[ . 1 . 2]" 1 2082 2 39 ASP HA 2 42 HIS H . . 3.900 3.303 2.789 3.708 . 0 0 "[ . 1 . 2]" 1 2083 2 39 ASP HA 2 42 HIS HB2 . . 4.430 3.049 2.743 3.492 . 0 0 "[ . 1 . 2]" 1 2084 2 39 ASP HA 2 42 HIS HB3 . . 3.960 2.230 1.771 2.584 . 0 0 "[ . 1 . 2]" 1 2085 2 39 ASP HA 2 43 LYS H . . 4.400 4.085 3.753 4.377 . 0 0 "[ . 1 . 2]" 1 2086 2 39 ASP HB3 2 40 GLU H . . 3.230 2.872 2.612 3.246 0.016 16 0 "[ . 1 . 2]" 1 2087 2 39 ASP HB3 2 40 GLU HA . . 5.500 4.436 4.244 4.634 . 0 0 "[ . 1 . 2]" 1 2088 2 39 ASP HB3 2 41 ALA H . . 5.500 5.239 4.990 5.494 . 0 0 "[ . 1 . 2]" 1 2089 2 40 GLU H 2 40 GLU HB2 . . 3.150 2.546 2.422 2.659 . 0 0 "[ . 1 . 2]" 1 2090 2 40 GLU H 2 40 GLU HG2 . . 3.780 2.192 2.068 2.308 . 0 0 "[ . 1 . 2]" 1 2091 2 40 GLU H 2 40 GLU HG3 . . 4.570 3.638 3.507 3.752 . 0 0 "[ . 1 . 2]" 1 2092 2 40 GLU H 2 41 ALA H . . 3.080 2.614 2.519 2.703 . 0 0 "[ . 1 . 2]" 1 2093 2 40 GLU H 2 41 ALA MB . . 4.330 4.269 4.149 4.350 0.020 7 0 "[ . 1 . 2]" 1 2094 2 40 GLU H 2 42 HIS H . . 4.430 3.879 3.793 4.111 . 0 0 "[ . 1 . 2]" 1 2095 2 40 GLU H 2 43 LYS H . . 5.030 4.706 4.471 4.903 . 0 0 "[ . 1 . 2]" 1 2096 2 40 GLU HA 2 40 GLU HG2 . . 3.610 3.215 2.994 3.428 . 0 0 "[ . 1 . 2]" 1 2097 2 40 GLU HA 2 40 GLU HG3 . . 4.130 3.825 3.781 3.867 . 0 0 "[ . 1 . 2]" 1 2098 2 40 GLU HB2 2 41 ALA H . . 3.570 2.609 2.505 2.862 . 0 0 "[ . 1 . 2]" 1 2099 2 40 GLU HB2 2 41 ALA HA . . 5.500 4.341 4.187 4.513 . 0 0 "[ . 1 . 2]" 1 2100 2 40 GLU HB3 2 41 ALA H . . 4.170 3.726 3.545 3.871 . 0 0 "[ . 1 . 2]" 1 2101 2 40 GLU HB3 2 41 ALA MB . . 5.500 4.735 4.437 4.952 . 0 0 "[ . 1 . 2]" 1 2102 2 40 GLU HG2 2 41 ALA H . . 4.700 4.199 4.027 4.373 . 0 0 "[ . 1 . 2]" 1 2103 2 40 GLU HG2 2 41 ALA MB . . 5.500 5.515 5.306 5.680 0.180 19 0 "[ . 1 . 2]" 1 2104 2 41 ALA H 2 41 ALA MB . . 2.860 2.213 2.173 2.248 . 0 0 "[ . 1 . 2]" 1 2105 2 41 ALA H 2 42 HIS H . . 3.140 2.447 2.323 2.545 . 0 0 "[ . 1 . 2]" 1 2106 2 41 ALA HA 2 44 ALA H . . 3.860 3.276 3.060 3.432 . 0 0 "[ . 1 . 2]" 1 2107 2 41 ALA HA 2 44 ALA MB . . 3.440 2.429 2.137 2.694 . 0 0 "[ . 1 . 2]" 1 2108 2 41 ALA MB 2 42 HIS H . . 3.210 2.641 2.400 2.869 . 0 0 "[ . 1 . 2]" 1 2109 2 41 ALA MB 2 42 HIS HB2 . . 5.500 4.118 3.811 4.394 . 0 0 "[ . 1 . 2]" 1 2110 2 41 ALA MB 2 45 TRP H . . 5.500 4.953 4.791 5.204 . 0 0 "[ . 1 . 2]" 1 2111 2 41 ALA MB 2 62 ILE MD . . 4.070 3.770 3.316 4.140 0.070 3 0 "[ . 1 . 2]" 1 2112 2 42 HIS H 2 42 HIS HB2 . . 3.020 2.569 2.406 2.711 . 0 0 "[ . 1 . 2]" 1 2113 2 42 HIS H 2 42 HIS HB3 . . 2.950 2.490 2.368 2.656 . 0 0 "[ . 1 . 2]" 1 2114 2 42 HIS H 2 42 HIS HD2 . . 5.110 5.051 4.960 5.139 0.029 14 0 "[ . 1 . 2]" 1 2115 2 42 HIS H 2 43 LYS H . . 3.310 2.582 2.383 2.768 . 0 0 "[ . 1 . 2]" 1 2116 2 42 HIS H 2 44 ALA H . . 4.520 3.945 3.761 4.162 . 0 0 "[ . 1 . 2]" 1 2117 2 42 HIS H 2 62 ILE MD . . 4.450 3.935 3.670 4.170 . 0 0 "[ . 1 . 2]" 1 2118 2 42 HIS HA 2 42 HIS HD2 . . 3.800 2.619 2.479 2.821 . 0 0 "[ . 1 . 2]" 1 2119 2 42 HIS HA 2 45 TRP H . . 4.330 3.812 3.484 4.057 . 0 0 "[ . 1 . 2]" 1 2120 2 42 HIS HA 2 45 TRP HB2 . . 4.670 4.187 3.716 4.667 . 0 0 "[ . 1 . 2]" 1 2121 2 42 HIS HA 2 45 TRP HB3 . . 4.010 3.266 2.829 3.565 . 0 0 "[ . 1 . 2]" 1 2122 2 42 HIS HA 2 62 ILE MD . . 3.150 1.916 1.780 2.027 . 0 0 "[ . 1 . 2]" 1 2123 2 42 HIS HB2 2 43 LYS H . . 3.930 3.989 3.943 4.079 0.149 12 0 "[ . 1 . 2]" 1 2124 2 42 HIS HB2 2 62 ILE MD . . 3.990 3.268 2.820 3.523 . 0 0 "[ . 1 . 2]" 1 2125 2 42 HIS HB3 2 43 LYS H . . 3.320 2.802 2.662 3.048 . 0 0 "[ . 1 . 2]" 1 2126 2 42 HIS HB3 2 62 ILE MD . . 4.360 4.241 3.980 4.386 0.026 10 0 "[ . 1 . 2]" 1 2127 2 42 HIS HD2 2 45 TRP HB3 . . 5.260 3.727 3.440 4.075 . 0 0 "[ . 1 . 2]" 1 2128 2 42 HIS HD2 2 45 TRP HE3 . . 4.080 3.355 2.976 3.617 . 0 0 "[ . 1 . 2]" 1 2129 2 42 HIS HD2 2 46 LYS H . . 5.500 5.610 5.405 5.726 0.226 19 0 "[ . 1 . 2]" 1 2130 2 42 HIS HD2 2 62 ILE MD . . 3.570 2.312 1.900 2.785 . 0 0 "[ . 1 . 2]" 1 2131 2 42 HIS HD2 2 62 ILE MG . . 5.290 4.930 4.589 5.370 0.080 11 0 "[ . 1 . 2]" 1 2132 2 43 LYS H 2 43 LYS HB3 . . 2.750 2.683 2.522 2.901 0.151 16 0 "[ . 1 . 2]" 1 2133 2 43 LYS H 2 43 LYS QD . . 4.720 4.368 4.040 4.589 . 0 0 "[ . 1 . 2]" 1 2134 2 43 LYS H 2 43 LYS QE . . 5.000 3.935 3.377 5.035 0.035 9 0 "[ . 1 . 2]" 1 2135 2 43 LYS H 2 43 LYS HG2 . . 4.680 4.649 4.569 4.687 0.007 6 0 "[ . 1 . 2]" 1 2136 2 43 LYS H 2 43 LYS QG . . 4.070 4.094 4.067 4.111 0.041 6 0 "[ . 1 . 2]" 1 2137 2 43 LYS H 2 43 LYS HG3 . . 4.680 4.546 4.504 4.595 . 0 0 "[ . 1 . 2]" 1 2138 2 43 LYS H 2 44 ALA H . . 3.160 2.434 2.244 2.607 . 0 0 "[ . 1 . 2]" 1 2139 2 43 LYS H 2 44 ALA MB . . 4.320 4.108 3.932 4.282 . 0 0 "[ . 1 . 2]" 1 2140 2 43 LYS H 2 45 TRP H . . 4.520 4.136 3.928 4.334 . 0 0 "[ . 1 . 2]" 1 2141 2 43 LYS H 2 46 LYS H . . 5.500 5.521 5.414 5.614 0.114 15 0 "[ . 1 . 2]" 1 2142 2 43 LYS H 2 62 ILE MD . . 4.930 4.805 4.558 4.971 0.041 7 0 "[ . 1 . 2]" 1 2143 2 43 LYS HA 2 43 LYS QD . . 4.070 2.027 1.899 2.170 . 0 0 "[ . 1 . 2]" 1 2144 2 43 LYS HA 2 43 LYS HG2 . . 4.010 3.741 3.661 3.796 . 0 0 "[ . 1 . 2]" 1 2145 2 43 LYS HA 2 43 LYS HG3 . . 4.010 2.977 2.731 3.235 . 0 0 "[ . 1 . 2]" 1 2146 2 43 LYS HA 2 45 TRP H . . 4.630 4.179 3.994 4.316 . 0 0 "[ . 1 . 2]" 1 2147 2 43 LYS HA 2 46 LYS H . . 3.920 3.764 3.647 3.968 0.048 16 0 "[ . 1 . 2]" 1 2148 2 43 LYS HB2 2 43 LYS QE . . 3.190 2.172 1.885 3.144 . 0 0 "[ . 1 . 2]" 1 2149 2 43 LYS HB3 2 43 LYS QE . . 4.190 3.612 3.360 4.154 . 0 0 "[ . 1 . 2]" 1 2150 2 43 LYS HB3 2 43 LYS QG . . 2.540 2.189 2.176 2.195 . 0 0 "[ . 1 . 2]" 1 2151 2 43 LYS HB3 2 44 ALA H . . 3.040 2.782 2.610 2.898 . 0 0 "[ . 1 . 2]" 1 2152 2 43 LYS QD 2 45 TRP HE3 . . 4.310 4.510 4.341 4.649 0.339 11 0 "[ . 1 . 2]" 1 2153 2 43 LYS QD 2 46 LYS H . . 5.190 4.663 4.142 5.231 0.041 9 0 "[ . 1 . 2]" 1 2154 2 43 LYS QE 2 43 LYS HG2 . . 3.880 2.729 2.345 3.155 . 0 0 "[ . 1 . 2]" 1 2155 2 43 LYS QE 2 43 LYS QG . . 3.210 2.622 2.301 2.958 . 0 0 "[ . 1 . 2]" 1 2156 2 43 LYS QE 2 43 LYS HG3 . . 3.880 3.466 3.346 3.584 . 0 0 "[ . 1 . 2]" 1 2157 2 43 LYS QG 2 44 ALA H . . 4.480 4.068 3.803 4.320 . 0 0 "[ . 1 . 2]" 1 2158 2 43 LYS QG 2 44 ALA HA . . 4.520 4.221 3.814 4.662 0.142 5 0 "[ . 1 . 2]" 1 2159 2 43 LYS HG2 2 44 ALA H . . 5.130 5.041 4.830 5.194 0.064 5 0 "[ . 1 . 2]" 1 2160 2 43 LYS HG3 2 44 ALA H . . 5.130 4.299 3.961 4.620 . 0 0 "[ . 1 . 2]" 1 2161 2 44 ALA H 2 44 ALA MB . . 2.700 2.235 2.222 2.255 . 0 0 "[ . 1 . 2]" 1 2162 2 44 ALA H 2 45 TRP H . . 3.040 2.709 2.536 2.791 . 0 0 "[ . 1 . 2]" 1 2163 2 44 ALA H 2 47 ALA MB . . 5.230 4.217 4.007 4.371 . 0 0 "[ . 1 . 2]" 1 2164 2 44 ALA H 2 62 ILE MD . . 5.210 5.143 4.885 5.355 0.145 16 0 "[ . 1 . 2]" 1 2165 2 44 ALA HA 2 47 ALA MB . . 2.780 2.040 1.862 2.210 . 0 0 "[ . 1 . 2]" 1 2166 2 44 ALA MB 2 45 TRP H . . 2.980 2.726 2.502 2.907 . 0 0 "[ . 1 . 2]" 1 2167 2 44 ALA MB 2 45 TRP HB3 . . 4.570 4.485 4.341 4.611 0.041 9 0 "[ . 1 . 2]" 1 2168 2 44 ALA MB 2 46 LYS H . . 4.850 4.837 4.702 4.919 0.069 2 0 "[ . 1 . 2]" 1 2169 2 44 ALA MB 2 47 ALA MB . . 3.440 3.406 3.155 3.516 0.076 5 0 "[ . 1 . 2]" 1 2170 2 45 TRP H 2 45 TRP HB2 . . 3.320 3.000 2.898 3.090 . 0 0 "[ . 1 . 2]" 1 2171 2 45 TRP H 2 45 TRP HB3 . . 3.600 2.131 2.094 2.170 . 0 0 "[ . 1 . 2]" 1 2172 2 45 TRP H 2 46 LYS HB3 . . 5.080 5.084 4.780 5.200 0.120 15 0 "[ . 1 . 2]" 1 2173 2 45 TRP H 2 62 ILE MD . . 4.180 3.837 3.524 4.175 . 0 0 "[ . 1 . 2]" 1 2174 2 45 TRP HA 2 45 TRP HD1 . . 3.930 3.515 3.426 3.658 . 0 0 "[ . 1 . 2]" 1 2175 2 45 TRP HA 2 47 ALA H . . 5.270 4.661 4.522 4.830 . 0 0 "[ . 1 . 2]" 1 2176 2 45 TRP HA 2 48 LYS H . . 4.110 4.058 3.868 4.138 0.028 11 0 "[ . 1 . 2]" 1 2177 2 45 TRP HA 2 48 LYS HB2 . . 4.670 3.399 3.192 3.501 . 0 0 "[ . 1 . 2]" 1 2178 2 45 TRP HA 2 48 LYS HB3 . . 4.940 4.987 4.785 5.074 0.134 17 0 "[ . 1 . 2]" 1 2179 2 45 TRP HA 2 48 LYS HG3 . . 5.500 4.421 4.169 4.881 . 0 0 "[ . 1 . 2]" 1 2180 2 45 TRP HA 2 49 ALA H . . 4.540 4.417 4.179 4.630 0.090 15 0 "[ . 1 . 2]" 1 2181 2 45 TRP HB2 2 62 ILE MD . . 3.770 2.689 2.237 2.871 . 0 0 "[ . 1 . 2]" 1 2182 2 45 TRP HB2 2 62 ILE HG12 . . 4.680 2.419 2.188 2.601 . 0 0 "[ . 1 . 2]" 1 2183 2 45 TRP HB2 2 62 ILE HG13 . . 5.260 2.564 2.343 3.019 . 0 0 "[ . 1 . 2]" 1 2184 2 45 TRP HB2 2 62 ILE MG . . 4.420 4.435 4.240 4.553 0.133 5 0 "[ . 1 . 2]" 1 2185 2 45 TRP HB3 2 46 LYS H . . 3.330 2.854 2.758 2.954 . 0 0 "[ . 1 . 2]" 1 2186 2 45 TRP HB3 2 62 ILE MD . . 4.360 2.508 2.195 2.708 . 0 0 "[ . 1 . 2]" 1 2187 2 45 TRP HD1 2 46 LYS H . . 5.370 4.966 4.831 5.095 . 0 0 "[ . 1 . 2]" 1 2188 2 45 TRP HD1 2 61 PHE HA . . 4.480 2.296 1.692 3.113 . 0 0 "[ . 1 . 2]" 1 2189 2 45 TRP HD1 2 62 ILE H . . 5.500 4.630 4.099 5.395 . 0 0 "[ . 1 . 2]" 1 2190 2 45 TRP HD1 2 62 ILE MD . . 4.410 4.404 3.928 4.530 0.120 5 0 "[ . 1 . 2]" 1 2191 2 45 TRP HD1 2 62 ILE HG13 . . 4.790 3.760 3.502 4.003 . 0 0 "[ . 1 . 2]" 1 2192 2 45 TRP HE1 2 49 ALA MB . . 4.110 4.117 3.841 4.314 0.204 15 0 "[ . 1 . 2]" 1 2193 2 45 TRP HE3 2 46 LYS H . . 3.070 2.530 2.385 2.810 . 0 0 "[ . 1 . 2]" 1 2194 2 45 TRP HE3 2 46 LYS HA . . 5.500 4.568 4.364 4.826 . 0 0 "[ . 1 . 2]" 1 2195 2 45 TRP HE3 2 46 LYS HB3 . . 3.540 3.247 2.940 3.503 . 0 0 "[ . 1 . 2]" 1 2196 2 45 TRP HE3 2 62 ILE MD . . 4.250 3.740 3.267 4.042 . 0 0 "[ . 1 . 2]" 1 2197 2 45 TRP HH2 2 46 LYS HB3 . . 4.480 4.779 4.636 4.927 0.447 4 0 "[ . 1 . 2]" 1 2198 2 45 TRP HH2 2 46 LYS QG . . 4.930 4.676 4.315 5.048 0.118 3 0 "[ . 1 . 2]" 1 2199 2 46 LYS H 2 46 LYS HB3 . . 2.740 2.344 2.151 2.524 . 0 0 "[ . 1 . 2]" 1 2200 2 46 LYS H 2 46 LYS QG . . 4.210 3.985 3.803 4.060 . 0 0 "[ . 1 . 2]" 1 2201 2 46 LYS H 2 47 ALA H . . 3.210 2.438 2.309 2.563 . 0 0 "[ . 1 . 2]" 1 2202 2 46 LYS H 2 47 ALA MB . . 4.600 4.113 4.009 4.183 . 0 0 "[ . 1 . 2]" 1 2203 2 46 LYS H 2 48 LYS H . . 4.690 4.022 3.918 4.191 . 0 0 "[ . 1 . 2]" 1 2204 2 46 LYS H 2 49 ALA H . . 5.420 4.606 4.492 4.766 . 0 0 "[ . 1 . 2]" 1 2205 2 46 LYS H 2 49 ALA MB . . 4.870 4.492 4.378 4.619 . 0 0 "[ . 1 . 2]" 1 2206 2 46 LYS H 2 62 ILE MD . . 5.280 4.983 4.652 5.221 . 0 0 "[ . 1 . 2]" 1 2207 2 46 LYS HA 2 46 LYS QG . . 3.950 2.641 2.463 2.863 . 0 0 "[ . 1 . 2]" 1 2208 2 46 LYS HA 2 48 LYS H . . 4.570 4.010 3.768 4.334 . 0 0 "[ . 1 . 2]" 1 2209 2 46 LYS HA 2 49 ALA H . . 3.810 3.043 2.712 3.466 . 0 0 "[ . 1 . 2]" 1 2210 2 46 LYS HA 2 49 ALA MB . . 3.290 2.197 1.974 2.580 . 0 0 "[ . 1 . 2]" 1 2211 2 46 LYS HA 2 50 GLN H . . 4.280 3.673 3.449 3.839 . 0 0 "[ . 1 . 2]" 1 2212 2 46 LYS HA 2 50 GLN HB2 . . 5.500 5.158 4.752 5.393 . 0 0 "[ . 1 . 2]" 1 2213 2 46 LYS HB3 2 47 ALA H . . 3.070 2.948 2.673 3.086 0.016 15 0 "[ . 1 . 2]" 1 2214 2 46 LYS HB3 2 47 ALA MB . . 4.420 4.362 4.149 4.484 0.064 2 0 "[ . 1 . 2]" 1 2215 2 46 LYS HB3 2 48 LYS H . . 5.010 5.164 5.097 5.232 0.222 16 0 "[ . 1 . 2]" 1 2216 2 46 LYS QG 2 47 ALA H . . 4.010 3.669 3.126 4.046 0.036 15 0 "[ . 1 . 2]" 1 2217 2 46 LYS QG 2 50 GLN H . . 4.240 3.888 3.534 4.256 0.016 3 0 "[ . 1 . 2]" 1 2218 2 46 LYS QG 2 50 GLN HB2 . . 3.980 3.880 3.588 4.078 0.098 7 0 "[ . 1 . 2]" 1 2219 2 46 LYS QG 2 50 GLN HE21 . . 4.810 2.937 2.565 3.438 . 0 0 "[ . 1 . 2]" 1 2220 2 46 LYS QG 2 50 GLN HE22 . . 4.990 2.955 2.521 3.570 . 0 0 "[ . 1 . 2]" 1 2221 2 46 LYS QG 2 50 GLN QG . . 4.310 2.476 2.170 2.917 . 0 0 "[ . 1 . 2]" 1 2222 2 47 ALA H 2 47 ALA MB . . 2.660 2.243 2.214 2.259 . 0 0 "[ . 1 . 2]" 1 2223 2 47 ALA H 2 48 LYS HG2 . . 5.500 4.732 4.474 5.023 . 0 0 "[ . 1 . 2]" 1 2224 2 47 ALA H 2 49 ALA H . . 4.400 4.138 4.006 4.316 . 0 0 "[ . 1 . 2]" 1 2225 2 47 ALA H 2 49 ALA MB . . 4.990 4.765 4.631 5.003 0.013 13 0 "[ . 1 . 2]" 1 2226 2 47 ALA H 2 50 GLN H . . 5.210 4.922 4.802 5.036 . 0 0 "[ . 1 . 2]" 1 2227 2 47 ALA H 2 50 GLN HE21 . . 4.810 4.787 4.474 4.945 0.135 13 0 "[ . 1 . 2]" 1 2228 2 47 ALA HA 2 49 ALA H . . 5.160 4.782 4.683 4.964 . 0 0 "[ . 1 . 2]" 1 2229 2 47 ALA HA 2 50 GLN H . . 4.400 4.130 3.866 4.444 0.044 13 0 "[ . 1 . 2]" 1 2230 2 47 ALA HA 2 50 GLN HB2 . . 4.770 3.479 3.225 3.793 . 0 0 "[ . 1 . 2]" 1 2231 2 47 ALA HA 2 50 GLN HB3 . . 5.500 5.117 4.850 5.430 . 0 0 "[ . 1 . 2]" 1 2232 2 47 ALA HA 2 50 GLN HE21 . . 5.370 2.815 2.253 3.349 . 0 0 "[ . 1 . 2]" 1 2233 2 47 ALA HA 2 50 GLN QG . . 5.410 4.537 4.174 4.995 . 0 0 "[ . 1 . 2]" 1 2234 2 47 ALA HA 2 51 ALA H . . 4.890 4.472 4.243 4.758 . 0 0 "[ . 1 . 2]" 1 2235 2 47 ALA MB 2 48 LYS H . . 3.120 2.695 2.484 2.859 . 0 0 "[ . 1 . 2]" 1 2236 2 47 ALA MB 2 48 LYS HG2 . . 3.730 3.314 3.055 3.641 . 0 0 "[ . 1 . 2]" 1 2237 2 47 ALA MB 2 49 ALA H . . 4.880 4.689 4.555 4.778 . 0 0 "[ . 1 . 2]" 1 2238 2 47 ALA MB 2 49 ALA MB . . 5.500 5.441 5.326 5.582 0.082 13 0 "[ . 1 . 2]" 1 2239 2 47 ALA MB 2 50 GLN HB2 . . 5.360 4.926 4.670 5.197 . 0 0 "[ . 1 . 2]" 1 2240 2 48 LYS H 2 48 LYS HB2 . . 3.010 2.306 2.216 2.369 . 0 0 "[ . 1 . 2]" 1 2241 2 48 LYS H 2 48 LYS HB3 . . 3.690 3.561 3.513 3.595 . 0 0 "[ . 1 . 2]" 1 2242 2 48 LYS H 2 48 LYS HD2 . . 5.260 4.073 3.895 4.380 . 0 0 "[ . 1 . 2]" 1 2243 2 48 LYS H 2 48 LYS HE2 . . 5.500 5.673 5.614 5.740 0.240 6 0 "[ . 1 . 2]" 1 2244 2 48 LYS H 2 48 LYS HE3 . . 5.500 5.080 4.943 5.206 . 0 0 "[ . 1 . 2]" 1 2245 2 48 LYS H 2 48 LYS HG2 . . 4.470 2.676 2.455 2.929 . 0 0 "[ . 1 . 2]" 1 2246 2 48 LYS H 2 48 LYS HG3 . . 4.510 3.860 3.722 4.044 . 0 0 "[ . 1 . 2]" 1 2247 2 48 LYS H 2 49 ALA H . . 2.900 2.462 2.356 2.567 . 0 0 "[ . 1 . 2]" 1 2248 2 48 LYS H 2 50 GLN H . . 4.310 4.103 3.959 4.277 . 0 0 "[ . 1 . 2]" 1 2249 2 48 LYS H 2 51 ALA H . . 4.550 4.602 4.487 4.653 0.103 6 0 "[ . 1 . 2]" 1 2250 2 48 LYS H 2 52 THR MG . . 5.500 5.537 5.371 5.625 0.125 9 0 "[ . 1 . 2]" 1 2251 2 48 LYS H 2 60 TYR HB2 . . 5.500 4.693 4.283 5.189 . 0 0 "[ . 1 . 2]" 1 2252 2 48 LYS HA 2 48 LYS HD2 . . 3.540 2.096 2.032 2.177 . 0 0 "[ . 1 . 2]" 1 2253 2 48 LYS HA 2 48 LYS HD3 . . 3.780 3.685 3.629 3.734 . 0 0 "[ . 1 . 2]" 1 2254 2 48 LYS HA 2 51 ALA H . . 3.740 3.418 3.271 3.592 . 0 0 "[ . 1 . 2]" 1 2255 2 48 LYS HA 2 51 ALA MB . . 3.600 2.416 2.291 2.524 . 0 0 "[ . 1 . 2]" 1 2256 2 48 LYS HA 2 52 THR H . . 4.650 4.197 3.689 4.676 0.026 15 0 "[ . 1 . 2]" 1 2257 2 48 LYS HA 2 52 THR MG . . 4.420 3.426 3.054 4.235 . 0 0 "[ . 1 . 2]" 1 2258 2 48 LYS HB2 2 49 ALA H . . 3.360 2.575 2.463 2.655 . 0 0 "[ . 1 . 2]" 1 2259 2 48 LYS HB2 2 52 THR MG . . 5.150 4.720 4.477 4.921 . 0 0 "[ . 1 . 2]" 1 2260 2 48 LYS HB2 2 60 TYR HB2 . . 5.500 2.738 2.398 3.276 . 0 0 "[ . 1 . 2]" 1 2261 2 48 LYS HB2 2 60 TYR QD . . 5.460 3.726 3.486 3.981 . 0 0 "[ . 1 . 2]" 1 2262 2 48 LYS HB3 2 48 LYS QE . . 4.430 2.084 2.032 2.142 . 0 0 "[ . 1 . 2]" 1 2263 2 48 LYS HB3 2 49 ALA H . . 4.190 3.426 3.261 3.561 . 0 0 "[ . 1 . 2]" 1 2264 2 48 LYS HB3 2 52 THR MG . . 4.960 3.431 3.128 3.876 . 0 0 "[ . 1 . 2]" 1 2265 2 48 LYS HB3 2 60 TYR QD . . 5.500 3.049 2.777 3.402 . 0 0 "[ . 1 . 2]" 1 2266 2 48 LYS HB3 2 60 TYR QE . . 5.130 3.848 3.402 4.108 . 0 0 "[ . 1 . 2]" 1 2267 2 48 LYS HD2 2 51 ALA MB . . 3.370 3.412 3.195 3.520 0.150 8 0 "[ . 1 . 2]" 1 2268 2 48 LYS HD2 2 60 TYR QE . . 5.500 5.515 5.284 5.652 0.152 13 0 "[ . 1 . 2]" 1 2269 2 48 LYS HD3 2 60 TYR QE . . 5.500 5.432 5.005 5.598 0.098 13 0 "[ . 1 . 2]" 1 2270 2 48 LYS QE 2 48 LYS HG3 . . 3.610 2.428 2.370 2.517 . 0 0 "[ . 1 . 2]" 1 2271 2 48 LYS QE 2 52 THR MG . . 3.760 2.719 2.183 3.721 . 0 0 "[ . 1 . 2]" 1 2272 2 48 LYS QE 2 60 TYR QD . . 3.380 3.211 2.883 3.461 0.081 7 0 "[ . 1 . 2]" 1 2273 2 48 LYS QE 2 60 TYR QE . . 3.830 2.968 2.739 3.105 . 0 0 "[ . 1 . 2]" 1 2274 2 48 LYS HE2 2 52 THR MG . . 4.620 4.032 3.464 4.817 0.197 10 0 "[ . 1 . 2]" 1 2275 2 48 LYS HE2 2 60 TYR QE . . 4.490 3.183 2.875 3.388 . 0 0 "[ . 1 . 2]" 1 2276 2 48 LYS HE3 2 52 THR MG . . 4.620 2.769 2.207 3.874 . 0 0 "[ . 1 . 2]" 1 2277 2 48 LYS HE3 2 60 TYR QE . . 4.490 3.573 3.378 3.738 . 0 0 "[ . 1 . 2]" 1 2278 2 48 LYS HG3 2 49 ALA H . . 5.330 4.936 4.841 5.002 . 0 0 "[ . 1 . 2]" 1 2279 2 48 LYS HG3 2 60 TYR QE . . 5.500 4.769 4.398 5.062 . 0 0 "[ . 1 . 2]" 1 2280 2 49 ALA H 2 49 ALA MB . . 2.700 2.232 2.209 2.247 . 0 0 "[ . 1 . 2]" 1 2281 2 49 ALA H 2 50 GLN H . . 3.010 2.786 2.732 2.881 . 0 0 "[ . 1 . 2]" 1 2282 2 49 ALA H 2 50 GLN HB2 . . 5.500 4.914 4.802 5.056 . 0 0 "[ . 1 . 2]" 1 2283 2 49 ALA H 2 50 GLN QG . . 5.500 4.599 4.386 4.825 . 0 0 "[ . 1 . 2]" 1 2284 2 49 ALA H 2 51 ALA H . . 4.030 4.017 3.940 4.083 0.053 15 0 "[ . 1 . 2]" 1 2285 2 49 ALA H 2 60 TYR QD . . 5.450 4.160 3.538 4.641 . 0 0 "[ . 1 . 2]" 1 2286 2 49 ALA HA 2 50 GLN H . . 3.530 3.536 3.500 3.564 0.034 13 0 "[ . 1 . 2]" 1 2287 2 49 ALA HA 2 52 THR H . . 5.130 3.890 3.505 4.433 . 0 0 "[ . 1 . 2]" 1 2288 2 49 ALA HA 2 52 THR MG . . 4.960 4.001 2.331 4.601 . 0 0 "[ . 1 . 2]" 1 2289 2 49 ALA HA 2 60 TYR QD . . 3.930 2.850 2.105 3.239 . 0 0 "[ . 1 . 2]" 1 2290 2 49 ALA HA 2 60 TYR QE . . 5.180 4.328 3.572 4.809 . 0 0 "[ . 1 . 2]" 1 2291 2 49 ALA MB 2 50 GLN H . . 3.190 2.588 2.306 2.765 . 0 0 "[ . 1 . 2]" 1 2292 2 49 ALA MB 2 50 GLN HA . . 4.600 3.993 3.894 4.080 . 0 0 "[ . 1 . 2]" 1 2293 2 49 ALA MB 2 50 GLN HB2 . . 4.880 4.491 4.367 4.590 . 0 0 "[ . 1 . 2]" 1 2294 2 49 ALA MB 2 50 GLN QG . . 4.080 3.155 2.985 3.410 . 0 0 "[ . 1 . 2]" 1 2295 2 49 ALA MB 2 51 ALA H . . 4.400 4.458 4.278 4.562 0.162 11 0 "[ . 1 . 2]" 1 2296 2 49 ALA MB 2 52 THR H . . 5.500 4.905 4.582 5.390 . 0 0 "[ . 1 . 2]" 1 2297 2 49 ALA MB 2 60 TYR H . . 4.480 3.402 2.258 4.048 . 0 0 "[ . 1 . 2]" 1 2298 2 49 ALA MB 2 60 TYR HB2 . . 4.670 3.308 2.661 3.699 . 0 0 "[ . 1 . 2]" 1 2299 2 49 ALA MB 2 60 TYR HB3 . . 5.160 4.773 4.167 5.237 0.077 15 0 "[ . 1 . 2]" 1 2300 2 49 ALA MB 2 60 TYR QD . . 4.120 3.743 3.047 4.127 0.007 14 0 "[ . 1 . 2]" 1 2301 2 50 GLN H 2 50 GLN HB2 . . 2.850 2.422 2.370 2.490 . 0 0 "[ . 1 . 2]" 1 2302 2 50 GLN H 2 50 GLN HB3 . . 3.730 3.612 3.578 3.636 . 0 0 "[ . 1 . 2]" 1 2303 2 50 GLN H 2 50 GLN HE21 . . 4.080 3.694 3.496 3.868 . 0 0 "[ . 1 . 2]" 1 2304 2 50 GLN H 2 50 GLN HE22 . . 5.500 5.240 5.033 5.400 . 0 0 "[ . 1 . 2]" 1 2305 2 50 GLN H 2 50 GLN QG . . 3.360 2.468 2.237 2.671 . 0 0 "[ . 1 . 2]" 1 2306 2 50 GLN H 2 51 ALA H . . 3.090 2.475 2.284 2.698 . 0 0 "[ . 1 . 2]" 1 2307 2 50 GLN HA 2 50 GLN QG . . 3.800 2.476 2.423 2.526 . 0 0 "[ . 1 . 2]" 1 2308 2 50 GLN HA 2 51 ALA H . . 3.560 3.520 3.465 3.567 0.007 1 0 "[ . 1 . 2]" 1 2309 2 50 GLN HA 2 52 THR H . . 5.230 4.298 3.766 4.907 . 0 0 "[ . 1 . 2]" 1 2310 2 50 GLN HB2 2 50 GLN HE21 . . 4.560 1.881 1.803 1.946 . 0 0 "[ . 1 . 2]" 1 2311 2 50 GLN HB2 2 51 ALA H . . 3.400 2.877 2.498 3.174 . 0 0 "[ . 1 . 2]" 1 2312 2 50 GLN HB2 2 52 THR H . . 5.500 5.164 4.965 5.627 0.127 2 0 "[ . 1 . 2]" 1 2313 2 50 GLN HB3 2 50 GLN HE21 . . 4.710 2.922 2.838 3.015 . 0 0 "[ . 1 . 2]" 1 2314 2 50 GLN QG 2 51 ALA H . . 4.340 4.249 4.125 4.354 0.014 19 0 "[ . 1 . 2]" 1 2315 2 51 ALA H 2 51 ALA MB . . 2.730 2.272 2.246 2.313 . 0 0 "[ . 1 . 2]" 1 2316 2 51 ALA H 2 52 THR H . . 3.150 2.559 2.344 2.756 . 0 0 "[ . 1 . 2]" 1 2317 2 51 ALA H 2 52 THR MG . . 5.170 3.978 3.696 4.231 . 0 0 "[ . 1 . 2]" 1 2318 2 51 ALA MB 2 52 THR H . . 3.420 2.800 2.209 3.314 . 0 0 "[ . 1 . 2]" 1 2319 2 51 ALA MB 2 52 THR MG . . 3.690 2.824 2.513 3.795 0.105 10 0 "[ . 1 . 2]" 1 2320 2 51 ALA MB 2 53 VAL QG . . 4.910 4.518 4.000 4.878 . 0 0 "[ . 1 . 2]" 1 2321 2 52 THR H 2 52 THR MG . . 3.520 2.508 2.003 2.906 . 0 0 "[ . 1 . 2]" 1 2322 2 52 THR H 2 53 VAL HA . . 5.500 4.969 4.395 5.525 0.025 10 0 "[ . 1 . 2]" 1 2323 2 52 THR H 2 53 VAL QG . . 4.410 3.773 3.161 4.341 . 0 0 "[ . 1 . 2]" 1 2324 2 52 THR HA 2 53 VAL H . . 2.810 2.595 2.132 3.014 0.204 9 0 "[ . 1 . 2]" 1 2325 2 52 THR MG 2 53 VAL H . . 4.430 4.352 4.248 4.422 . 0 0 "[ . 1 . 2]" 1 2326 2 52 THR MG 2 54 ASP H . . 5.340 5.089 4.717 5.416 0.076 20 0 "[ . 1 . 2]" 1 2327 2 52 THR MG 2 60 TYR QE . . 3.910 2.186 1.541 2.706 . 0 0 "[ . 1 . 2]" 1 2328 2 53 VAL H 2 53 VAL HB . . 3.660 2.975 2.477 3.722 0.062 14 0 "[ . 1 . 2]" 1 2329 2 53 VAL H 2 53 VAL QG . . 2.970 2.112 1.832 2.475 . 0 0 "[ . 1 . 2]" 1 2330 2 53 VAL H 2 54 ASP H . . 3.220 2.354 1.738 2.665 . 0 0 "[ . 1 . 2]" 1 2331 2 53 VAL H 2 55 ASN QB . . 5.340 4.982 4.108 5.446 0.106 2 0 "[ . 1 . 2]" 1 2332 2 53 VAL HA 2 53 VAL QG . . 3.100 2.238 2.192 2.325 . 0 0 "[ . 1 . 2]" 1 2333 2 53 VAL HA 2 54 ASP QB . . 5.340 5.292 4.996 5.546 0.206 20 0 "[ . 1 . 2]" 1 2334 2 53 VAL HA 2 55 ASN H . . 4.720 4.113 3.661 4.717 . 0 0 "[ . 1 . 2]" 1 2335 2 53 VAL HB 2 54 ASP H . . 3.820 3.237 2.529 3.975 0.155 18 0 "[ . 1 . 2]" 1 2336 2 53 VAL HB 2 55 ASN H . . 5.500 5.277 4.645 5.704 0.204 14 0 "[ . 1 . 2]" 1 2337 2 53 VAL QG 2 54 ASP H . . 3.940 3.028 2.206 3.593 . 0 0 "[ . 1 . 2]" 1 2338 2 53 VAL QG 2 54 ASP QB . . 4.830 4.170 3.066 4.883 0.053 10 0 "[ . 1 . 2]" 1 2339 2 53 VAL QG 2 55 ASN H . . 5.100 4.512 4.191 4.934 . 0 0 "[ . 1 . 2]" 1 2340 2 53 VAL MG1 2 54 ASP H . . 4.760 3.886 3.495 4.160 . 0 0 "[ . 1 . 2]" 1 2341 2 53 VAL MG2 2 54 ASP H . . 4.760 3.326 2.216 4.051 . 0 0 "[ . 1 . 2]" 1 2342 2 54 ASP H 2 54 ASP QB . . 3.000 2.348 2.194 2.557 . 0 0 "[ . 1 . 2]" 1 2343 2 54 ASP H 2 55 ASN QB . . 5.180 4.451 3.737 4.758 . 0 0 "[ . 1 . 2]" 1 2344 2 54 ASP QB 2 55 ASN H . . 3.240 2.759 2.338 3.399 0.159 8 0 "[ . 1 . 2]" 1 2345 2 55 ASN H 2 55 ASN HA . . 2.840 2.862 2.750 2.911 0.071 14 0 "[ . 1 . 2]" 1 2346 2 55 ASN H 2 55 ASN QB . . 3.270 2.292 2.081 2.422 . 0 0 "[ . 1 . 2]" 1 2347 2 55 ASN H 2 55 ASN HD21 . . 5.270 4.663 4.252 4.962 . 0 0 "[ . 1 . 2]" 1 2348 2 55 ASN H 2 55 ASN HD22 . . 5.500 5.240 4.613 5.801 0.301 14 0 "[ . 1 . 2]" 1 2349 2 55 ASN HA 2 55 ASN HD21 . . 3.860 3.265 2.295 4.123 0.263 15 0 "[ . 1 . 2]" 1 2350 2 55 ASN HA 2 55 ASN HD22 . . 4.170 3.979 3.513 4.374 0.204 18 0 "[ . 1 . 2]" 1 2351 2 55 ASN HA 2 56 ALA H . . 2.720 2.281 2.111 2.485 . 0 0 "[ . 1 . 2]" 1 2352 2 55 ASN HA 2 56 ALA MB . . 4.170 3.982 3.746 4.188 0.018 13 0 "[ . 1 . 2]" 1 2353 2 55 ASN QB 2 55 ASN HD21 . . 3.080 2.269 2.107 2.863 . 0 0 "[ . 1 . 2]" 1 2354 2 55 ASN QB 2 55 ASN HD22 . . 3.550 3.296 3.192 3.503 . 0 0 "[ . 1 . 2]" 1 2355 2 55 ASN QB 2 56 ALA H . . 3.990 3.101 2.141 4.035 0.045 8 0 "[ . 1 . 2]" 1 2356 2 55 ASN QB 2 58 ALA H . . 5.030 3.072 2.267 4.391 . 0 0 "[ . 1 . 2]" 1 2357 2 55 ASN QB 2 58 ALA MB . . 3.850 2.110 1.689 3.838 . 0 0 "[ . 1 . 2]" 1 2358 2 55 ASN HB2 2 56 ALA H . . 4.570 4.100 3.452 4.642 0.072 8 0 "[ . 1 . 2]" 1 2359 2 55 ASN HB2 2 58 ALA MB . . 4.570 2.960 2.038 4.256 . 0 0 "[ . 1 . 2]" 1 2360 2 55 ASN HB3 2 56 ALA H . . 4.570 3.257 2.159 4.434 . 0 0 "[ . 1 . 2]" 1 2361 2 55 ASN HB3 2 58 ALA MB . . 4.570 2.246 1.700 4.366 . 0 0 "[ . 1 . 2]" 1 2362 2 55 ASN HD21 2 58 ALA H . . 4.910 3.871 2.783 5.064 0.154 15 0 "[ . 1 . 2]" 1 2363 2 55 ASN HD21 2 58 ALA MB . . 4.470 2.245 1.494 3.151 . 0 0 "[ . 1 . 2]" 1 2364 2 55 ASN HD22 2 58 ALA H . . 5.500 5.120 3.233 5.744 0.244 5 0 "[ . 1 . 2]" 1 2365 2 55 ASN HD22 2 58 ALA MB . . 4.650 2.988 1.565 3.549 . 0 0 "[ . 1 . 2]" 1 2366 2 56 ALA H 2 56 ALA MB . . 2.890 2.287 2.208 2.795 . 0 0 "[ . 1 . 2]" 1 2367 2 56 ALA H 2 58 ALA H . . 5.120 3.899 3.427 4.872 . 0 0 "[ . 1 . 2]" 1 2368 2 56 ALA MB 2 57 HIS H . . 4.050 2.298 1.912 3.548 . 0 0 "[ . 1 . 2]" 1 2369 2 56 ALA MB 2 57 HIS HD2 . . 5.210 3.711 1.908 5.456 0.246 3 0 "[ . 1 . 2]" 1 2370 2 56 ALA MB 2 58 ALA H . . 4.580 4.149 3.735 4.591 0.011 19 0 "[ . 1 . 2]" 1 2371 2 57 HIS H 2 57 HIS HD2 . . 5.280 3.997 2.482 5.300 0.020 7 0 "[ . 1 . 2]" 1 2372 2 57 HIS H 2 58 ALA H . . 3.180 2.471 2.154 2.984 . 0 0 "[ . 1 . 2]" 1 2373 2 57 HIS H 2 58 ALA MB . . 4.620 3.883 3.461 4.473 . 0 0 "[ . 1 . 2]" 1 2374 2 57 HIS HA 2 57 HIS HD2 . . 3.600 2.966 2.196 3.668 0.068 11 0 "[ . 1 . 2]" 1 2375 2 57 HIS HA 2 58 ALA H . . 3.000 3.075 2.893 3.212 0.212 17 0 "[ . 1 . 2]" 1 2376 2 57 HIS HB2 2 58 ALA H . . 4.530 4.001 3.636 4.496 . 0 0 "[ . 1 . 2]" 1 2377 2 57 HIS HB3 2 58 ALA H . . 4.530 4.405 4.083 4.538 0.008 8 0 "[ . 1 . 2]" 1 2378 2 58 ALA H 2 58 ALA MB . . 2.730 2.309 2.256 2.365 . 0 0 "[ . 1 . 2]" 1 2379 2 58 ALA H 2 59 ARG H . . 4.640 4.277 4.103 4.579 . 0 0 "[ . 1 . 2]" 1 2380 2 58 ALA H 2 59 ARG QB . . 5.500 5.532 5.133 5.783 0.283 17 0 "[ . 1 . 2]" 1 2381 2 58 ALA H 2 60 TYR QE . . 5.500 5.195 4.950 5.486 . 0 0 "[ . 1 . 2]" 1 2382 2 58 ALA HA 2 59 ARG H . . 2.740 2.151 2.110 2.198 . 0 0 "[ . 1 . 2]" 1 2383 2 58 ALA MB 2 59 ARG H . . 3.430 3.382 2.751 3.548 0.118 16 0 "[ . 1 . 2]" 1 2384 2 58 ALA MB 2 60 TYR H . . 5.500 4.845 4.208 5.477 . 0 0 "[ . 1 . 2]" 1 2385 2 58 ALA MB 2 60 TYR QD . . 4.680 3.685 3.195 4.251 . 0 0 "[ . 1 . 2]" 1 2386 2 58 ALA MB 2 60 TYR QE . . 3.560 2.264 1.596 3.165 . 0 0 "[ . 1 . 2]" 1 2387 2 59 ARG H 2 59 ARG QB . . 3.180 2.485 2.304 2.731 . 0 0 "[ . 1 . 2]" 1 2388 2 59 ARG H 2 59 ARG QD . . 4.350 3.548 2.768 4.502 0.152 8 0 "[ . 1 . 2]" 1 2389 2 59 ARG H 2 59 ARG QG . . 4.590 3.784 2.746 4.290 . 0 0 "[ . 1 . 2]" 1 2390 2 59 ARG H 2 60 TYR H . . 4.380 4.182 3.849 4.432 0.052 6 0 "[ . 1 . 2]" 1 2391 2 59 ARG H 2 60 TYR HA . . 5.330 4.790 4.508 5.067 . 0 0 "[ . 1 . 2]" 1 2392 2 59 ARG HA 2 59 ARG HD2 . . 3.800 2.545 1.977 3.130 . 0 0 "[ . 1 . 2]" 1 2393 2 59 ARG HA 2 59 ARG HD3 . . 3.800 3.178 2.030 3.913 0.113 14 0 "[ . 1 . 2]" 1 2394 2 59 ARG HA 2 59 ARG QG . . 3.940 2.736 2.411 3.131 . 0 0 "[ . 1 . 2]" 1 2395 2 59 ARG HA 2 60 TYR H . . 2.810 2.144 2.065 2.204 . 0 0 "[ . 1 . 2]" 1 2396 2 59 ARG HA 2 60 TYR QD . . 4.310 3.387 2.927 4.125 . 0 0 "[ . 1 . 2]" 1 2397 2 59 ARG QB 2 59 ARG HD2 . . 3.370 2.848 2.468 3.047 . 0 0 "[ . 1 . 2]" 1 2398 2 59 ARG QB 2 59 ARG HD3 . . 3.370 2.662 2.405 3.098 . 0 0 "[ . 1 . 2]" 1 2399 2 59 ARG QB 2 59 ARG QG . . 2.400 2.011 1.997 2.023 . 0 0 "[ . 1 . 2]" 1 2400 2 59 ARG QB 2 60 TYR H . . 3.760 3.544 3.007 3.852 0.092 7 0 "[ . 1 . 2]" 1 2401 2 59 ARG QD 2 60 TYR H . . 4.410 3.839 2.107 4.619 0.209 13 0 "[ . 1 . 2]" 1 2402 2 59 ARG QG 2 60 TYR H . . 5.050 3.970 2.848 4.895 . 0 0 "[ . 1 . 2]" 1 2403 2 60 TYR H 2 60 TYR HB2 . . 3.310 2.492 2.362 2.585 . 0 0 "[ . 1 . 2]" 1 2404 2 60 TYR H 2 60 TYR QD . . 3.300 2.422 2.158 2.689 . 0 0 "[ . 1 . 2]" 1 2405 2 60 TYR H 2 60 TYR QE . . 4.650 4.465 4.243 4.683 0.033 4 0 "[ . 1 . 2]" 1 2406 2 60 TYR H 2 61 PHE H . . 4.770 4.374 3.938 4.547 . 0 0 "[ . 1 . 2]" 1 2407 2 60 TYR HA 2 60 TYR QD . . 4.000 2.998 2.650 3.162 . 0 0 "[ . 1 . 2]" 1 2408 2 60 TYR HA 2 61 PHE H . . 2.940 2.111 2.060 2.175 . 0 0 "[ . 1 . 2]" 1 2409 2 60 TYR HB2 2 61 PHE H . . 4.860 4.222 4.010 4.466 . 0 0 "[ . 1 . 2]" 1 2410 2 60 TYR HB3 2 61 PHE H . . 4.320 3.336 2.922 3.914 . 0 0 "[ . 1 . 2]" 1 2411 2 60 TYR QD 2 61 PHE H . . 5.070 4.270 3.981 4.648 . 0 0 "[ . 1 . 2]" 1 2412 2 61 PHE H 2 61 PHE HB2 . . 4.050 2.634 2.456 2.780 . 0 0 "[ . 1 . 2]" 1 2413 2 61 PHE H 2 61 PHE QB . . 3.240 2.585 2.419 2.719 . 0 0 "[ . 1 . 2]" 1 2414 2 61 PHE H 2 61 PHE HB3 . . 4.050 3.756 3.578 3.848 . 0 0 "[ . 1 . 2]" 1 2415 2 61 PHE H 2 61 PHE QD . . 3.640 3.142 2.311 3.644 0.004 17 0 "[ . 1 . 2]" 1 2416 2 61 PHE H 2 62 ILE H . . 5.230 4.294 4.129 4.554 . 0 0 "[ . 1 . 2]" 1 2417 2 61 PHE HA 2 62 ILE H . . 3.030 2.771 2.468 3.028 . 0 0 "[ . 1 . 2]" 1 2418 2 61 PHE HA 2 62 ILE HB . . 5.370 5.077 4.939 5.210 . 0 0 "[ . 1 . 2]" 1 2419 2 61 PHE HA 2 62 ILE HG13 . . 5.450 3.247 2.900 3.520 . 0 0 "[ . 1 . 2]" 1 2420 2 61 PHE QB 2 62 ILE H . . 3.180 1.890 1.682 2.336 . 0 0 "[ . 1 . 2]" 1 2421 2 61 PHE HB2 2 62 ILE H . . 3.800 2.967 2.684 3.368 . 0 0 "[ . 1 . 2]" 1 2422 2 61 PHE HB3 2 62 ILE H . . 3.800 1.913 1.698 2.383 . 0 0 "[ . 1 . 2]" 1 2423 2 61 PHE QD 2 62 ILE H . . 4.320 3.760 3.527 3.979 . 0 0 "[ . 1 . 2]" 1 2424 2 62 ILE H 2 62 ILE HB . . 3.270 2.914 2.789 3.071 . 0 0 "[ . 1 . 2]" 1 2425 2 62 ILE H 2 62 ILE MD . . 4.070 4.030 3.855 4.216 0.146 4 0 "[ . 1 . 2]" 1 2426 2 62 ILE H 2 62 ILE HG12 . . 3.920 3.778 3.608 3.955 0.035 9 0 "[ . 1 . 2]" 1 2427 2 62 ILE H 2 62 ILE HG13 . . 3.700 2.646 2.448 2.887 . 0 0 "[ . 1 . 2]" 1 2428 2 62 ILE H 2 62 ILE MG . . 4.040 3.979 3.927 4.037 . 0 0 "[ . 1 . 2]" 1 2429 2 62 ILE H 2 63 ILE H . . 4.620 4.428 4.371 4.471 . 0 0 "[ . 1 . 2]" 1 2430 2 62 ILE HA 2 62 ILE MD . . 4.440 4.022 3.934 4.086 . 0 0 "[ . 1 . 2]" 1 2431 2 62 ILE HA 2 62 ILE HG12 . . 4.190 2.871 2.729 2.980 . 0 0 "[ . 1 . 2]" 1 2432 2 62 ILE HA 2 62 ILE HG13 . . 4.120 3.333 3.236 3.411 . 0 0 "[ . 1 . 2]" 1 2433 2 62 ILE HA 2 62 ILE MG . . 3.310 2.321 2.261 2.381 . 0 0 "[ . 1 . 2]" 1 2434 2 62 ILE HA 2 63 ILE H . . 2.910 2.377 2.275 2.522 . 0 0 "[ . 1 . 2]" 1 2435 2 62 ILE HA 2 63 ILE HB . . 5.240 4.655 3.885 5.289 0.049 16 0 "[ . 1 . 2]" 1 2436 2 62 ILE HA 2 63 ILE QG . . 5.040 4.175 3.583 5.412 0.372 19 0 "[ . 1 . 2]" 1 2437 2 62 ILE HB 2 62 ILE MD . . 3.190 2.446 2.401 2.515 . 0 0 "[ . 1 . 2]" 1 2438 2 62 ILE HB 2 63 ILE H . . 5.500 3.636 3.291 3.816 . 0 0 "[ . 1 . 2]" 1 2439 2 62 ILE MD 2 62 ILE MG . . 2.750 2.012 1.976 2.065 . 0 0 "[ . 1 . 2]" 1 2440 2 62 ILE MD 2 63 ILE H . . 5.140 4.968 4.713 5.191 0.051 10 0 "[ . 1 . 2]" 1 2441 2 62 ILE HG12 2 62 ILE MG . . 3.130 2.418 2.382 2.471 . 0 0 "[ . 1 . 2]" 1 2442 2 62 ILE HG12 2 63 ILE H . . 5.190 4.738 4.537 4.958 . 0 0 "[ . 1 . 2]" 1 2443 2 62 ILE HG13 2 62 ILE MG . . 3.670 3.238 3.227 3.248 . 0 0 "[ . 1 . 2]" 1 2444 2 62 ILE MG 2 63 ILE H . . 3.160 2.162 1.808 2.459 . 0 0 "[ . 1 . 2]" 1 2445 2 62 ILE MG 2 63 ILE HA . . 4.000 3.779 3.516 4.020 0.020 13 0 "[ . 1 . 2]" 1 2446 2 63 ILE H 2 63 ILE HB . . 3.210 2.877 2.499 3.143 . 0 0 "[ . 1 . 2]" 1 2447 2 63 ILE H 2 63 ILE MD . . 5.350 4.494 4.168 4.915 . 0 0 "[ . 1 . 2]" 1 2448 2 63 ILE H 2 63 ILE QG . . 4.660 3.313 2.704 4.225 . 0 0 "[ . 1 . 2]" 1 2449 2 63 ILE H 2 64 HIS H . . 4.510 4.343 4.274 4.433 . 0 0 "[ . 1 . 2]" 1 2450 2 63 ILE HA 2 63 ILE MD . . 3.960 3.871 3.750 4.052 0.092 14 0 "[ . 1 . 2]" 1 2451 2 63 ILE HA 2 63 ILE HG12 . . 4.040 2.603 2.300 2.978 . 0 0 "[ . 1 . 2]" 1 2452 2 63 ILE HA 2 63 ILE HG13 . . 4.040 3.024 2.354 3.420 . 0 0 "[ . 1 . 2]" 1 2453 2 63 ILE HA 2 64 HIS H . . 3.070 2.240 2.106 2.527 . 0 0 "[ . 1 . 2]" 1 2454 2 63 ILE HA 2 64 HIS QB . . 4.720 4.434 4.263 4.594 . 0 0 "[ . 1 . 2]" 1 2455 2 63 ILE HA 2 64 HIS HD2 . . 5.500 4.024 3.233 5.522 0.022 13 0 "[ . 1 . 2]" 1 2456 2 63 ILE HB 2 63 ILE MD . . 2.980 2.497 2.408 2.582 . 0 0 "[ . 1 . 2]" 1 2457 2 63 ILE MD 2 64 HIS H . . 4.720 4.699 3.608 4.910 0.190 7 0 "[ . 1 . 2]" 1 2458 2 64 HIS H 2 64 HIS HB2 . . 3.870 3.515 2.401 3.687 . 0 0 "[ . 1 . 2]" 1 2459 2 64 HIS H 2 64 HIS QB . . 3.380 2.615 2.369 2.934 . 0 0 "[ . 1 . 2]" 1 2460 2 64 HIS H 2 64 HIS HB3 . . 3.870 2.805 2.560 3.633 . 0 0 "[ . 1 . 2]" 1 2461 2 64 HIS H 2 64 HIS HD2 . . 5.480 2.579 1.828 4.004 . 0 0 "[ . 1 . 2]" 1 2462 2 64 HIS H 2 65 ALA H . . 5.420 4.441 4.049 4.625 . 0 0 "[ . 1 . 2]" 1 2463 2 64 HIS HA 2 64 HIS HD2 . . 5.060 4.412 2.609 4.841 . 0 0 "[ . 1 . 2]" 1 2464 2 64 HIS HA 2 65 ALA H . . 2.850 2.189 2.124 2.273 . 0 0 "[ . 1 . 2]" 1 2465 2 64 HIS QB 2 65 ALA H . . 3.900 3.332 2.899 3.832 . 0 0 "[ . 1 . 2]" 1 2466 2 64 HIS HB2 2 65 ALA H . . 4.650 3.564 2.972 4.478 . 0 0 "[ . 1 . 2]" 1 2467 2 64 HIS HB3 2 65 ALA H . . 4.650 4.224 3.259 4.548 . 0 0 "[ . 1 . 2]" 1 2468 2 65 ALA H 2 65 ALA MB . . 3.050 2.391 2.273 2.646 . 0 0 "[ . 1 . 2]" 1 2469 2 65 ALA MB 2 67 LYS H . . 5.100 5.027 4.431 5.271 0.171 9 0 "[ . 1 . 2]" 1 2470 2 66 HIS H 2 67 LYS H . . 4.240 2.460 1.865 4.336 0.096 14 0 "[ . 1 . 2]" 1 2471 2 66 HIS H 2 67 LYS QB . . 5.340 4.456 3.780 5.582 0.242 5 0 "[ . 1 . 2]" 1 2472 2 66 HIS HA 2 66 HIS HE1 . . 5.080 5.005 4.724 5.204 0.124 9 0 "[ . 1 . 2]" 1 2473 2 66 HIS QB 2 66 HIS HE1 . . 4.670 4.485 4.401 4.644 . 0 0 "[ . 1 . 2]" 1 2474 2 66 HIS QB 2 67 LYS QB . . 5.180 3.727 3.464 4.215 . 0 0 "[ . 1 . 2]" 1 2475 2 66 HIS HB2 2 67 LYS H . . 4.050 3.773 3.468 4.298 0.248 14 0 "[ . 1 . 2]" 1 2476 2 66 HIS HB3 2 67 LYS H . . 4.050 2.582 1.971 4.155 0.105 14 0 "[ . 1 . 2]" 1 2477 2 67 LYS H 2 67 LYS HB2 . . 3.900 2.974 2.683 3.284 . 0 0 "[ . 1 . 2]" 1 2478 2 67 LYS H 2 67 LYS QB . . 3.420 2.485 2.317 3.072 . 0 0 "[ . 1 . 2]" 1 2479 2 67 LYS H 2 67 LYS HB3 . . 3.900 2.678 2.483 3.710 . 0 0 "[ . 1 . 2]" 1 2480 2 67 LYS H 2 67 LYS QG . . 4.530 4.103 4.015 4.274 . 0 0 "[ . 1 . 2]" 1 2481 2 67 LYS H 2 68 LEU H . . 4.410 4.044 3.426 4.275 . 0 0 "[ . 1 . 2]" 1 2482 2 67 LYS HA 2 67 LYS QD . . 4.320 3.638 1.879 4.201 . 0 0 "[ . 1 . 2]" 1 2483 2 67 LYS HA 2 67 LYS QG . . 3.390 2.587 2.408 3.098 . 0 0 "[ . 1 . 2]" 1 2484 2 67 LYS HA 2 68 LEU H . . 2.710 2.158 2.108 2.232 . 0 0 "[ . 1 . 2]" 1 2485 2 67 LYS HB2 2 68 LEU H . . 4.580 4.458 4.202 4.559 . 0 0 "[ . 1 . 2]" 1 2486 2 67 LYS HB3 2 68 LEU H . . 4.580 4.395 4.110 4.503 . 0 0 "[ . 1 . 2]" 1 2487 2 67 LYS QD 2 68 LEU H . . 5.500 4.755 2.654 5.553 0.053 5 0 "[ . 1 . 2]" 1 2488 2 67 LYS QD 2 69 LEU QD . . 4.790 4.155 2.452 4.781 . 0 0 "[ . 1 . 2]" 1 2489 2 67 LYS QE 2 67 LYS QG . . 3.190 2.265 2.152 2.401 . 0 0 "[ . 1 . 2]" 1 2490 2 67 LYS QE 2 68 LEU H . . 5.500 5.137 3.766 5.777 0.277 12 0 "[ . 1 . 2]" 1 2491 2 67 LYS QE 2 69 LEU QD . . 3.710 3.259 2.289 3.789 0.079 3 0 "[ . 1 . 2]" 1 2492 2 67 LYS QG 2 68 LEU H . . 4.050 3.423 2.600 4.140 0.090 6 0 "[ . 1 . 2]" 1 2493 2 67 LYS QG 2 69 LEU QD . . 4.140 3.410 2.387 4.209 0.069 16 0 "[ . 1 . 2]" 1 2494 2 68 LEU H 2 68 LEU HB2 . . 3.870 2.395 2.228 2.637 . 0 0 "[ . 1 . 2]" 1 2495 2 68 LEU H 2 68 LEU QB . . 3.080 2.361 2.204 2.587 . 0 0 "[ . 1 . 2]" 1 2496 2 68 LEU H 2 68 LEU HB3 . . 3.870 3.595 3.503 3.743 . 0 0 "[ . 1 . 2]" 1 2497 2 68 LEU H 2 68 LEU MD1 . . 4.430 3.759 3.330 4.070 . 0 0 "[ . 1 . 2]" 1 2498 2 68 LEU H 2 68 LEU QD . . 3.750 2.652 1.828 3.420 . 0 0 "[ . 1 . 2]" 1 2499 2 68 LEU H 2 68 LEU MD2 . . 4.430 2.825 1.836 4.130 . 0 0 "[ . 1 . 2]" 1 2500 2 68 LEU H 2 68 LEU HG . . 3.630 3.345 2.348 3.964 0.334 12 0 "[ . 1 . 2]" 1 2501 2 68 LEU H 2 69 LEU H . . 4.900 4.515 4.327 4.594 . 0 0 "[ . 1 . 2]" 1 2502 2 68 LEU HA 2 68 LEU MD1 . . 3.900 2.993 2.132 3.960 0.060 11 0 "[ . 1 . 2]" 1 2503 2 68 LEU HA 2 68 LEU QD . . 2.970 2.134 2.046 2.278 . 0 0 "[ . 1 . 2]" 1 2504 2 68 LEU HA 2 68 LEU MD2 . . 3.900 2.542 2.053 3.233 . 0 0 "[ . 1 . 2]" 1 2505 2 68 LEU HA 2 68 LEU HG . . 3.800 3.491 2.816 3.848 0.048 16 0 "[ . 1 . 2]" 1 2506 2 68 LEU HA 2 69 LEU H . . 3.010 2.258 2.133 2.631 . 0 0 "[ . 1 . 2]" 1 2507 2 68 LEU QB 2 68 LEU QD . . 2.540 2.056 1.959 2.113 . 0 0 "[ . 1 . 2]" 1 2508 2 68 LEU QB 2 69 LEU H . . 3.940 2.881 2.062 3.356 . 0 0 "[ . 1 . 2]" 1 2509 2 68 LEU QD 2 69 LEU H . . 4.730 3.449 3.236 3.744 . 0 0 "[ . 1 . 2]" 1 2510 2 68 LEU HG 2 69 LEU H . . 5.500 5.080 4.768 5.481 . 0 0 "[ . 1 . 2]" 1 2511 2 69 LEU H 2 69 LEU HB2 . . 3.640 2.508 2.335 2.606 . 0 0 "[ . 1 . 2]" 1 2512 2 69 LEU H 2 69 LEU HB3 . . 3.900 3.635 3.578 3.743 . 0 0 "[ . 1 . 2]" 1 2513 2 69 LEU H 2 69 LEU MD1 . . 4.380 3.611 2.181 4.002 . 0 0 "[ . 1 . 2]" 1 2514 2 69 LEU H 2 69 LEU QD . . 3.790 3.046 2.172 3.452 . 0 0 "[ . 1 . 2]" 1 2515 2 69 LEU H 2 69 LEU MD2 . . 4.380 3.432 3.161 4.036 . 0 0 "[ . 1 . 2]" 1 2516 2 69 LEU H 2 69 LEU HG . . 4.510 2.596 2.168 3.900 . 0 0 "[ . 1 . 2]" 1 2517 2 69 LEU H 2 70 ASP H . . 4.470 3.988 3.533 4.515 0.045 17 0 "[ . 1 . 2]" 1 2518 2 69 LEU HA 2 69 LEU QD . . 2.930 2.185 2.044 2.840 . 0 0 "[ . 1 . 2]" 1 2519 2 69 LEU HA 2 69 LEU HG . . 4.180 3.167 2.580 3.323 . 0 0 "[ . 1 . 2]" 1 2520 2 69 LEU HA 2 70 ASP H . . 2.640 2.261 2.116 2.435 . 0 0 "[ . 1 . 2]" 1 2521 2 69 LEU HB2 2 70 ASP H . . 4.560 4.417 4.029 4.579 0.019 4 0 "[ . 1 . 2]" 1 2522 2 69 LEU HB3 2 70 ASP H . . 4.190 4.002 3.050 4.284 0.094 16 0 "[ . 1 . 2]" 1 2523 2 69 LEU QD 2 70 ASP H . . 4.540 3.956 3.538 4.371 . 0 0 "[ . 1 . 2]" 1 2524 2 69 LEU MD1 2 70 ASP H . . 5.500 5.435 4.551 5.682 0.182 9 0 "[ . 1 . 2]" 1 2525 2 69 LEU MD2 2 70 ASP H . . 5.500 4.157 3.622 5.650 0.150 3 0 "[ . 1 . 2]" 1 2526 2 69 LEU HG 2 70 ASP H . . 5.190 5.204 4.797 5.319 0.129 6 0 "[ . 1 . 2]" 1 2527 2 70 ASP H 2 70 ASP HB2 . . 4.060 3.233 2.495 3.730 . 0 0 "[ . 1 . 2]" 1 2528 2 70 ASP H 2 70 ASP QB . . 3.230 2.585 2.291 2.873 . 0 0 "[ . 1 . 2]" 1 2529 2 70 ASP H 2 70 ASP HB3 . . 4.060 2.826 2.392 3.693 . 0 0 "[ . 1 . 2]" 1 2530 2 70 ASP H 2 71 PRO HD3 . . 5.090 4.339 3.987 4.762 . 0 0 "[ . 1 . 2]" 1 2531 2 70 ASP HA 2 71 PRO QG . . 4.770 3.846 3.693 3.967 . 0 0 "[ . 1 . 2]" 1 2532 2 70 ASP HA 2 72 SER H . . 4.230 3.685 3.194 4.045 . 0 0 "[ . 1 . 2]" 1 2533 2 70 ASP QB 2 71 PRO HD3 . . 5.000 4.010 3.573 4.526 . 0 0 "[ . 1 . 2]" 1 2534 2 70 ASP QB 2 71 PRO QG . . 5.050 5.035 4.361 5.307 0.257 12 0 "[ . 1 . 2]" 1 2535 2 70 ASP QB 2 72 SER H . . 4.550 3.308 2.598 4.031 . 0 0 "[ . 1 . 2]" 1 2536 2 70 ASP QB 2 73 GLU H . . 4.390 3.217 1.973 3.844 . 0 0 "[ . 1 . 2]" 1 2537 2 70 ASP QB 2 73 GLU QG . . 4.620 3.533 2.265 4.663 0.043 4 0 "[ . 1 . 2]" 1 2538 2 71 PRO HB2 2 72 SER H . . 4.110 3.474 2.670 4.173 0.063 3 0 "[ . 1 . 2]" 1 2539 2 71 PRO HD2 2 72 SER H . . 3.760 2.834 2.151 3.357 . 0 0 "[ . 1 . 2]" 1 2540 2 71 PRO HD3 2 72 SER H . . 4.240 3.945 3.457 4.322 0.082 9 0 "[ . 1 . 2]" 1 2541 2 71 PRO HG2 2 72 SER H . . 4.980 4.109 2.741 4.828 . 0 0 "[ . 1 . 2]" 1 2542 2 71 PRO HG3 2 72 SER H . . 4.980 4.661 4.244 4.993 0.013 3 0 "[ . 1 . 2]" 1 2543 2 72 SER H 2 72 SER HB2 . . 3.530 2.795 2.504 3.572 0.042 9 0 "[ . 1 . 2]" 1 2544 2 72 SER H 2 72 SER QB . . 3.090 2.332 2.241 2.641 . 0 0 "[ . 1 . 2]" 1 2545 2 72 SER H 2 72 SER HB3 . . 3.530 2.528 2.436 2.721 . 0 0 "[ . 1 . 2]" 1 2546 2 72 SER H 2 73 GLU H . . 3.060 2.582 2.275 2.920 . 0 0 "[ . 1 . 2]" 1 2547 2 72 SER H 2 73 GLU QB . . 5.340 4.817 4.406 5.312 . 0 0 "[ . 1 . 2]" 1 2548 2 72 SER QB 2 73 GLU H . . 3.910 2.727 2.091 3.533 . 0 0 "[ . 1 . 2]" 1 2549 2 72 SER HB2 2 73 GLU H . . 4.760 3.887 3.334 4.284 . 0 0 "[ . 1 . 2]" 1 2550 2 72 SER HB3 2 73 GLU H . . 4.760 2.858 2.104 4.115 . 0 0 "[ . 1 . 2]" 1 2551 2 73 GLU H 2 73 GLU HB2 . . 3.820 2.701 2.374 3.918 0.098 17 0 "[ . 1 . 2]" 1 2552 2 73 GLU H 2 73 GLU QB . . 3.030 2.589 2.344 3.169 0.139 17 0 "[ . 1 . 2]" 1 2553 2 73 GLU H 2 73 GLU HB3 . . 3.820 3.665 3.348 3.799 . 0 0 "[ . 1 . 2]" 1 2554 2 73 GLU H 2 73 GLU QG . . 3.420 2.561 2.190 2.946 . 0 0 "[ . 1 . 2]" 1 2555 2 73 GLU HA 2 73 GLU QG . . 3.710 2.992 2.476 3.391 . 0 0 "[ . 1 . 2]" 1 2556 2 73 GLU HA 2 74 GLY H . . 3.500 3.135 2.192 3.566 0.066 3 0 "[ . 1 . 2]" 1 2557 2 73 GLU HB2 2 74 GLY H . . 4.570 3.408 2.141 4.492 . 0 0 "[ . 1 . 2]" 1 2558 2 73 GLU HB3 2 74 GLY H . . 4.570 3.922 2.125 4.592 0.022 17 0 "[ . 1 . 2]" 1 stop_ save_
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