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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
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463896 |
2yst ![]() ![]() |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2yst 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 3 _Distance_constraint_stats_list.Viol_count 41 _Distance_constraint_stats_list.Viol_total 409.969 _Distance_constraint_stats_list.Viol_max 1.137 _Distance_constraint_stats_list.Viol_rms 0.4254 _Distance_constraint_stats_list.Viol_average_all_restraints 0.3416 _Distance_constraint_stats_list.Viol_average_violations_only 0.5000 _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 39 ALA 17.695 1.137 5 19 "[****+-************ *]" 1 40 ASP 17.695 1.137 5 19 "[****+-************ *]" 1 86 GLN 0.015 0.005 20 0 "[ . 1 . 2]" 1 87 LEU 2.788 0.397 8 0 "[ . 1 . 2]" 1 110 ASN 0.015 0.005 20 0 "[ . 1 . 2]" 1 111 ILE 2.788 0.397 8 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 39 ALA H 1 40 ASP H . . 3.500 4.373 3.265 4.637 1.137 5 19 "[****+-************ *]" 1 2 1 87 LEU H 1 111 ILE H . . 4.000 4.138 3.990 4.397 0.397 8 0 "[ . 1 . 2]" 1 3 1 86 GLN HA 1 110 ASN HA . . 3.500 3.448 3.306 3.505 0.005 20 0 "[ . 1 . 2]" 1 stop_ save_ save_distance_constraint_statistics_2 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 2 _Distance_constraint_stats_list.Constraint_count 2517 _Distance_constraint_stats_list.Viol_count 1011 _Distance_constraint_stats_list.Viol_total 399.596 _Distance_constraint_stats_list.Viol_max 0.236 _Distance_constraint_stats_list.Viol_rms 0.0050 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0004 _Distance_constraint_stats_list.Viol_average_violations_only 0.0198 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details . loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 8 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 1 9 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 10 ASN 0.005 0.005 17 0 "[ . 1 . 2]" 1 11 SER 0.303 0.236 16 0 "[ . 1 . 2]" 1 12 PRO 0.339 0.236 16 0 "[ . 1 . 2]" 1 13 ARG 0.027 0.018 14 0 "[ . 1 . 2]" 1 14 PHE 0.365 0.067 14 0 "[ . 1 . 2]" 1 15 GLU 0.472 0.187 18 0 "[ . 1 . 2]" 1 16 LYS 0.671 0.111 14 0 "[ . 1 . 2]" 1 17 SER 0.068 0.020 19 0 "[ . 1 . 2]" 1 18 VAL 0.217 0.051 14 0 "[ . 1 . 2]" 1 19 TYR 0.733 0.111 14 0 "[ . 1 . 2]" 1 20 GLU 0.323 0.066 20 0 "[ . 1 . 2]" 1 21 ALA 0.272 0.066 20 0 "[ . 1 . 2]" 1 22 ASP 0.004 0.003 11 0 "[ . 1 . 2]" 1 23 LEU 0.227 0.028 20 0 "[ . 1 . 2]" 1 24 ALA 0.165 0.040 17 0 "[ . 1 . 2]" 1 25 GLU 0.159 0.040 17 0 "[ . 1 . 2]" 1 26 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 1 27 SER 0.129 0.043 19 0 "[ . 1 . 2]" 1 28 ALA 0.049 0.014 3 0 "[ . 1 . 2]" 1 29 PRO 0.450 0.048 20 0 "[ . 1 . 2]" 1 30 GLY 0.318 0.035 12 0 "[ . 1 . 2]" 1 31 THR 0.224 0.047 8 0 "[ . 1 . 2]" 1 32 PRO 0.077 0.018 8 0 "[ . 1 . 2]" 1 33 ILE 0.117 0.022 14 0 "[ . 1 . 2]" 1 34 LEU 0.507 0.097 20 0 "[ . 1 . 2]" 1 35 GLN 0.030 0.016 12 0 "[ . 1 . 2]" 1 36 LEU 0.411 0.097 20 0 "[ . 1 . 2]" 1 37 ARG 0.455 0.121 18 0 "[ . 1 . 2]" 1 38 ALA 0.273 0.121 18 0 "[ . 1 . 2]" 1 39 ALA 0.355 0.187 18 0 "[ . 1 . 2]" 1 40 ASP 0.813 0.200 20 0 "[ . 1 . 2]" 1 41 LEU 1.537 0.119 19 0 "[ . 1 . 2]" 1 42 ASP 1.780 0.127 13 0 "[ . 1 . 2]" 1 43 VAL 1.102 0.143 13 0 "[ . 1 . 2]" 1 44 GLY 0.588 0.143 13 0 "[ . 1 . 2]" 1 45 VAL 0.926 0.208 10 0 "[ . 1 . 2]" 1 46 ASN 0.245 0.208 10 0 "[ . 1 . 2]" 1 47 GLY 0.076 0.030 14 0 "[ . 1 . 2]" 1 48 GLN 0.379 0.055 19 0 "[ . 1 . 2]" 1 49 ILE 0.356 0.055 19 0 "[ . 1 . 2]" 1 50 GLU 0.455 0.130 19 0 "[ . 1 . 2]" 1 51 TYR 0.265 0.125 19 0 "[ . 1 . 2]" 1 52 VAL 0.314 0.026 20 0 "[ . 1 . 2]" 1 53 PHE 0.176 0.030 14 0 "[ . 1 . 2]" 1 54 GLY 0.014 0.010 19 0 "[ . 1 . 2]" 1 55 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 56 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 57 THR 0.081 0.025 14 0 "[ . 1 . 2]" 1 58 GLU 0.065 0.019 15 0 "[ . 1 . 2]" 1 59 SER 0.186 0.091 15 0 "[ . 1 . 2]" 1 60 VAL 0.093 0.019 6 0 "[ . 1 . 2]" 1 61 ARG 0.125 0.031 11 0 "[ . 1 . 2]" 1 62 ARG 0.479 0.187 12 0 "[ . 1 . 2]" 1 63 LEU 1.413 0.116 17 0 "[ . 1 . 2]" 1 64 LEU 0.521 0.066 11 0 "[ . 1 . 2]" 1 65 ARG 0.221 0.062 14 0 "[ . 1 . 2]" 1 66 LEU 0.333 0.031 13 0 "[ . 1 . 2]" 1 67 ASP 1.415 0.139 12 0 "[ . 1 . 2]" 1 68 GLU 1.757 0.139 12 0 "[ . 1 . 2]" 1 69 THR 0.255 0.042 20 0 "[ . 1 . 2]" 1 70 SER 0.056 0.021 14 0 "[ . 1 . 2]" 1 71 GLY 0.013 0.008 20 0 "[ . 1 . 2]" 1 72 TRP 0.153 0.021 14 0 "[ . 1 . 2]" 1 73 LEU 0.365 0.031 13 0 "[ . 1 . 2]" 1 74 SER 0.106 0.022 18 0 "[ . 1 . 2]" 1 75 VAL 1.225 0.062 8 0 "[ . 1 . 2]" 1 76 LEU 0.973 0.062 8 0 "[ . 1 . 2]" 1 77 HIS 0.297 0.036 19 0 "[ . 1 . 2]" 1 78 ARG 0.519 0.233 16 0 "[ . 1 . 2]" 1 79 ILE 0.106 0.030 18 0 "[ . 1 . 2]" 1 80 ASP 0.012 0.012 12 0 "[ . 1 . 2]" 1 81 ARG 0.350 0.040 18 0 "[ . 1 . 2]" 1 82 GLU 0.814 0.175 10 0 "[ . 1 . 2]" 1 83 GLU 0.077 0.032 19 0 "[ . 1 . 2]" 1 84 VAL 0.337 0.038 13 0 "[ . 1 . 2]" 1 85 ASN 0.036 0.012 13 0 "[ . 1 . 2]" 1 86 GLN 0.091 0.027 14 0 "[ . 1 . 2]" 1 87 LEU 0.096 0.016 15 0 "[ . 1 . 2]" 1 88 ARG 0.304 0.067 7 0 "[ . 1 . 2]" 1 89 PHE 0.063 0.019 14 0 "[ . 1 . 2]" 1 90 THR 0.125 0.019 17 0 "[ . 1 . 2]" 1 91 VAL 0.115 0.020 20 0 "[ . 1 . 2]" 1 92 MET 0.199 0.036 14 0 "[ . 1 . 2]" 1 93 ALA 0.357 0.130 19 0 "[ . 1 . 2]" 1 94 ARG 0.493 0.125 19 0 "[ . 1 . 2]" 1 95 ASP 0.063 0.022 17 0 "[ . 1 . 2]" 1 96 ARG 0.247 0.137 7 0 "[ . 1 . 2]" 1 97 GLY 0.031 0.010 11 0 "[ . 1 . 2]" 1 98 GLN 0.607 0.064 11 0 "[ . 1 . 2]" 1 99 PRO 0.420 0.064 11 0 "[ . 1 . 2]" 1 100 PRO 0.284 0.026 11 0 "[ . 1 . 2]" 1 101 LYS 0.128 0.033 3 0 "[ . 1 . 2]" 1 102 THR 0.233 0.036 14 0 "[ . 1 . 2]" 1 103 ASP 0.011 0.010 19 0 "[ . 1 . 2]" 1 104 LYS 0.147 0.047 20 0 "[ . 1 . 2]" 1 105 ALA 0.079 0.020 19 0 "[ . 1 . 2]" 1 106 THR 0.106 0.024 14 0 "[ . 1 . 2]" 1 107 VAL 0.269 0.051 14 0 "[ . 1 . 2]" 1 108 VAL 0.127 0.020 18 0 "[ . 1 . 2]" 1 109 LEU 0.038 0.013 14 0 "[ . 1 . 2]" 1 110 ASN 0.011 0.005 3 0 "[ . 1 . 2]" 1 111 ILE 0.053 0.012 13 0 "[ . 1 . 2]" 1 112 LYS 0.148 0.041 2 0 "[ . 1 . 2]" 1 113 ASP 0.121 0.076 11 0 "[ . 1 . 2]" 1 114 GLU 0.381 0.085 8 0 "[ . 1 . 2]" 1 115 ASN 0.052 0.020 11 0 "[ . 1 . 2]" 1 116 ASP 0.065 0.065 1 0 "[ . 1 . 2]" 1 117 ASN 0.290 0.106 19 0 "[ . 1 . 2]" 1 118 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 119 PRO 0.000 0.000 . 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 65 ARG HB3 1 66 LEU H . . 4.570 4.053 3.825 4.498 . 0 0 "[ . 1 . 2]" 2 2 1 66 LEU H 1 66 LEU HB3 . . 3.990 2.519 2.328 2.690 . 0 0 "[ . 1 . 2]" 2 3 1 66 LEU H 1 66 LEU HB2 . . 3.990 3.255 2.888 3.413 . 0 0 "[ . 1 . 2]" 2 4 1 91 VAL H 1 107 VAL H . . 5.070 4.829 4.429 5.075 0.005 9 0 "[ . 1 . 2]" 2 5 1 107 VAL H 1 107 VAL MG1 . . 4.160 3.834 3.791 3.882 . 0 0 "[ . 1 . 2]" 2 6 1 107 VAL H 1 107 VAL HB . . 3.630 2.621 2.505 2.729 . 0 0 "[ . 1 . 2]" 2 7 1 28 ALA H 1 31 THR HG1 . . 3.710 2.089 1.886 2.596 . 0 0 "[ . 1 . 2]" 2 8 1 27 SER HB2 1 28 ALA H . . 4.480 4.080 3.112 4.492 0.012 2 0 "[ . 1 . 2]" 2 9 1 27 SER HB3 1 28 ALA H . . 4.480 3.605 3.038 4.335 . 0 0 "[ . 1 . 2]" 2 10 1 28 ALA H 1 31 THR MG . . 4.400 3.993 3.708 4.344 . 0 0 "[ . 1 . 2]" 2 11 1 107 VAL HA 1 108 VAL H . . 3.140 2.184 2.143 2.234 . 0 0 "[ . 1 . 2]" 2 12 1 19 TYR QB 1 108 VAL H . . 4.630 4.004 3.561 4.322 . 0 0 "[ . 1 . 2]" 2 13 1 108 VAL H 1 108 VAL HB . . 3.590 2.537 2.463 2.613 . 0 0 "[ . 1 . 2]" 2 14 1 21 ALA H 1 108 VAL H . . 4.360 4.281 4.185 4.365 0.005 19 0 "[ . 1 . 2]" 2 15 1 21 ALA H 1 22 ASP H . . 4.500 4.430 4.285 4.480 . 0 0 "[ . 1 . 2]" 2 16 1 21 ALA H 1 109 LEU HA . . 3.670 3.044 2.843 3.299 . 0 0 "[ . 1 . 2]" 2 17 1 86 GLN HG2 1 87 LEU H . . 3.820 3.360 2.665 3.794 . 0 0 "[ . 1 . 2]" 2 18 1 95 ASP H 1 101 LYS H . . 4.320 3.912 3.403 4.314 . 0 0 "[ . 1 . 2]" 2 19 1 111 ILE H 1 111 ILE HG13 . . 3.940 3.622 3.448 3.837 . 0 0 "[ . 1 . 2]" 2 20 1 93 ALA H 1 103 ASP H . . 3.900 2.308 1.844 2.847 . 0 0 "[ . 1 . 2]" 2 21 1 93 ALA H 1 102 THR HA . . 3.920 3.140 2.952 3.334 . 0 0 "[ . 1 . 2]" 2 22 1 108 VAL H 1 109 LEU H . . 4.510 4.349 4.121 4.506 . 0 0 "[ . 1 . 2]" 2 23 1 14 PHE QE 1 105 ALA H . . 4.130 3.617 3.074 3.995 . 0 0 "[ . 1 . 2]" 2 24 1 81 ARG H 1 82 GLU H . . 3.900 2.765 2.417 3.000 . 0 0 "[ . 1 . 2]" 2 25 1 25 GLU H 1 112 LYS H . . 4.430 3.329 2.896 3.894 . 0 0 "[ . 1 . 2]" 2 26 1 80 ASP HB2 1 81 ARG H . . 4.720 4.418 3.995 4.607 . 0 0 "[ . 1 . 2]" 2 27 1 81 ARG H 1 81 ARG HB3 . . 3.710 2.713 2.349 2.939 . 0 0 "[ . 1 . 2]" 2 28 1 34 LEU HG 1 35 GLN H . . 4.930 4.551 4.225 4.811 . 0 0 "[ . 1 . 2]" 2 29 1 35 GLN H 1 35 GLN HB2 . . 3.760 3.070 2.753 3.308 . 0 0 "[ . 1 . 2]" 2 30 1 35 GLN H 1 35 GLN HB3 . . 3.760 2.516 2.352 2.694 . 0 0 "[ . 1 . 2]" 2 31 1 22 ASP H 1 23 LEU H . . 4.530 4.292 3.990 4.456 . 0 0 "[ . 1 . 2]" 2 32 1 23 LEU H 1 112 LYS H . . 4.290 3.703 2.968 4.069 . 0 0 "[ . 1 . 2]" 2 33 1 22 ASP HB2 1 23 LEU H . . 4.570 3.801 3.369 4.548 . 0 0 "[ . 1 . 2]" 2 34 1 22 ASP HB3 1 23 LEU H . . 4.570 4.221 3.387 4.478 . 0 0 "[ . 1 . 2]" 2 35 1 23 LEU H 1 23 LEU HB2 . . 3.940 2.689 2.489 2.861 . 0 0 "[ . 1 . 2]" 2 36 1 21 ALA H 1 110 ASN H . . 4.230 3.995 3.794 4.232 0.002 8 0 "[ . 1 . 2]" 2 37 1 110 ASN H 1 110 ASN HD21 . . 4.380 2.306 1.802 2.860 . 0 0 "[ . 1 . 2]" 2 38 1 22 ASP HA 1 110 ASN H . . 3.330 2.954 2.506 3.269 . 0 0 "[ . 1 . 2]" 2 39 1 108 VAL MG1 1 110 ASN H . . 4.320 3.580 3.213 4.002 . 0 0 "[ . 1 . 2]" 2 40 1 87 LEU H 1 88 ARG H . . 4.700 4.507 4.015 4.624 . 0 0 "[ . 1 . 2]" 2 41 1 88 ARG H 1 89 PHE QD . . 4.210 3.565 2.632 4.210 0.000 4 0 "[ . 1 . 2]" 2 42 1 87 LEU HB2 1 88 ARG H . . 4.580 3.903 3.373 4.499 . 0 0 "[ . 1 . 2]" 2 43 1 88 ARG H 1 88 ARG HB3 . . 3.530 3.255 2.986 3.597 0.067 7 0 "[ . 1 . 2]" 2 44 1 88 ARG H 1 88 ARG HB2 . . 3.720 2.945 2.393 3.241 . 0 0 "[ . 1 . 2]" 2 45 1 87 LEU HB3 1 88 ARG H . . 4.580 2.863 2.156 3.798 . 0 0 "[ . 1 . 2]" 2 46 1 114 GLU H 1 115 ASN H . . 3.640 2.463 1.894 2.906 . 0 0 "[ . 1 . 2]" 2 47 1 113 ASP HA 1 114 GLU H . . 2.950 2.171 2.140 2.252 . 0 0 "[ . 1 . 2]" 2 48 1 25 GLU HG2 1 114 GLU H . . 4.080 3.158 2.257 4.089 0.009 11 0 "[ . 1 . 2]" 2 49 1 25 GLU HG3 1 114 GLU H . . 4.080 3.385 2.690 4.045 . 0 0 "[ . 1 . 2]" 2 50 1 114 GLU H 1 114 GLU HB3 . . 3.590 2.667 2.383 3.637 0.047 1 0 "[ . 1 . 2]" 2 51 1 40 ASP H 1 41 LEU H . . 3.830 2.666 1.887 3.844 0.014 12 0 "[ . 1 . 2]" 2 52 1 41 LEU H 1 42 ASP H . . 3.960 2.492 1.785 4.061 0.101 11 0 "[ . 1 . 2]" 2 53 1 40 ASP HB2 1 41 LEU H . . 4.550 3.854 2.824 4.555 0.005 2 0 "[ . 1 . 2]" 2 54 1 112 LYS HB3 1 113 ASP H . . 3.750 2.306 2.013 2.573 . 0 0 "[ . 1 . 2]" 2 55 1 112 LYS HB2 1 113 ASP H . . 4.070 3.518 3.285 3.771 . 0 0 "[ . 1 . 2]" 2 56 1 33 ILE H 1 73 LEU HB3 . . 4.800 4.044 3.818 4.331 . 0 0 "[ . 1 . 2]" 2 57 1 19 TYR QB 1 20 GLU H . . 3.990 3.648 3.541 3.797 . 0 0 "[ . 1 . 2]" 2 58 1 20 GLU H 1 20 GLU HB2 . . 3.600 2.599 2.479 2.686 . 0 0 "[ . 1 . 2]" 2 59 1 13 ARG H 1 13 ARG HB2 . . 4.120 2.830 2.399 3.463 . 0 0 "[ . 1 . 2]" 2 60 1 13 ARG H 1 13 ARG HB3 . . 4.120 3.196 2.656 3.779 . 0 0 "[ . 1 . 2]" 2 61 1 89 PHE H 1 107 VAL H . . 3.620 3.140 2.819 3.528 . 0 0 "[ . 1 . 2]" 2 62 1 89 PHE H 1 89 PHE QD . . 3.750 3.012 2.704 3.273 . 0 0 "[ . 1 . 2]" 2 63 1 88 ARG HA 1 89 PHE H . . 2.870 2.151 2.139 2.183 . 0 0 "[ . 1 . 2]" 2 64 1 89 PHE H 1 108 VAL HA . . 4.490 4.225 3.989 4.463 . 0 0 "[ . 1 . 2]" 2 65 1 88 ARG HB3 1 89 PHE H . . 4.240 3.967 3.223 4.239 . 0 0 "[ . 1 . 2]" 2 66 1 88 ARG HB2 1 89 PHE H . . 4.780 4.499 4.322 4.601 . 0 0 "[ . 1 . 2]" 2 67 1 88 ARG QG 1 89 PHE H . . 4.190 3.334 2.880 3.818 . 0 0 "[ . 1 . 2]" 2 68 1 89 PHE H 1 106 THR MG . . 4.070 3.710 3.197 4.069 . 0 0 "[ . 1 . 2]" 2 69 1 89 PHE H 1 107 VAL HB . . 4.300 3.430 2.937 3.905 . 0 0 "[ . 1 . 2]" 2 70 1 46 ASN H 1 46 ASN HB3 . . 4.160 3.182 2.351 3.996 . 0 0 "[ . 1 . 2]" 2 71 1 45 VAL MG1 1 46 ASN H . . 4.360 3.217 1.806 4.251 . 0 0 "[ . 1 . 2]" 2 72 1 37 ARG HB2 1 39 ALA H . . 4.740 3.985 2.903 4.747 0.007 11 0 "[ . 1 . 2]" 2 73 1 18 VAL H 1 18 VAL MG2 . . 4.050 2.859 2.661 3.021 . 0 0 "[ . 1 . 2]" 2 74 1 17 SER H 1 18 VAL H . . 3.130 2.739 2.578 2.894 . 0 0 "[ . 1 . 2]" 2 75 1 18 VAL H 1 18 VAL HB . . 3.320 2.759 2.655 2.905 . 0 0 "[ . 1 . 2]" 2 76 1 59 SER QB 1 60 VAL H . . 3.640 2.947 2.162 3.595 . 0 0 "[ . 1 . 2]" 2 77 1 60 VAL H 1 60 VAL HB . . 3.250 2.427 2.320 2.597 . 0 0 "[ . 1 . 2]" 2 78 1 59 SER H 1 60 VAL H . . 4.210 2.561 2.113 3.010 . 0 0 "[ . 1 . 2]" 2 79 1 60 VAL H 1 61 ARG H . . 3.570 2.490 2.052 2.946 . 0 0 "[ . 1 . 2]" 2 80 1 115 ASN H 1 116 ASP H . . 3.490 2.816 2.149 3.131 . 0 0 "[ . 1 . 2]" 2 81 1 115 ASN HB2 1 116 ASP H . . 4.290 3.612 2.422 4.261 . 0 0 "[ . 1 . 2]" 2 82 1 115 ASN HB3 1 116 ASP H . . 4.290 2.521 2.009 3.831 . 0 0 "[ . 1 . 2]" 2 83 1 116 ASP H 1 116 ASP HB3 . . 3.580 2.671 2.194 3.573 . 0 0 "[ . 1 . 2]" 2 84 1 8 ASN HB3 1 9 ASP H . . 5.150 3.692 2.217 4.466 . 0 0 "[ . 1 . 2]" 2 85 1 54 GLY H 1 92 MET H . . 4.780 2.525 1.989 3.249 . 0 0 "[ . 1 . 2]" 2 86 1 39 ALA MB 1 40 ASP H . . 3.840 2.836 1.872 3.718 . 0 0 "[ . 1 . 2]" 2 87 1 103 ASP HB3 1 104 LYS H . . 4.890 3.905 3.147 4.576 . 0 0 "[ . 1 . 2]" 2 88 1 14 PHE QD 1 104 LYS H . . 5.400 5.103 4.673 5.393 . 0 0 "[ . 1 . 2]" 2 89 1 103 ASP HB2 1 104 LYS H . . 4.890 4.227 3.290 4.620 . 0 0 "[ . 1 . 2]" 2 90 1 104 LYS H 1 104 LYS QE . . 5.260 4.253 3.117 5.080 . 0 0 "[ . 1 . 2]" 2 91 1 53 PHE H 1 53 PHE QD . . 3.990 3.284 2.702 3.610 . 0 0 "[ . 1 . 2]" 2 92 1 53 PHE H 1 53 PHE HB3 . . 3.900 3.487 3.471 3.503 . 0 0 "[ . 1 . 2]" 2 93 1 53 PHE H 1 53 PHE HB2 . . 3.390 2.191 2.169 2.223 . 0 0 "[ . 1 . 2]" 2 94 1 52 VAL HB 1 53 PHE H . . 3.250 2.203 2.015 2.666 . 0 0 "[ . 1 . 2]" 2 95 1 49 ILE H 1 49 ILE HB . . 3.410 2.728 2.462 2.870 . 0 0 "[ . 1 . 2]" 2 96 1 49 ILE H 1 49 ILE HG13 . . 4.380 3.973 3.434 4.337 . 0 0 "[ . 1 . 2]" 2 97 1 14 PHE QD 1 15 GLU H . . 4.390 3.302 2.875 4.062 . 0 0 "[ . 1 . 2]" 2 98 1 74 SER HB3 1 75 VAL H . . 3.930 3.763 3.609 3.898 . 0 0 "[ . 1 . 2]" 2 99 1 74 SER HB2 1 75 VAL H . . 3.830 2.314 2.089 2.545 . 0 0 "[ . 1 . 2]" 2 100 1 42 ASP H 1 42 ASP HB2 . . 3.990 2.837 2.217 4.054 0.064 11 0 "[ . 1 . 2]" 2 101 1 41 LEU HB3 1 42 ASP H . . 4.280 3.815 3.204 4.399 0.119 19 0 "[ . 1 . 2]" 2 102 1 22 ASP H 1 22 ASP HB2 . . 3.850 3.373 2.279 3.821 . 0 0 "[ . 1 . 2]" 2 103 1 22 ASP H 1 22 ASP HB3 . . 3.850 3.014 2.424 3.624 . 0 0 "[ . 1 . 2]" 2 104 1 21 ALA MB 1 22 ASP H . . 3.290 2.539 2.052 3.131 . 0 0 "[ . 1 . 2]" 2 105 1 30 GLY H 1 31 THR H . . 3.640 2.006 1.772 2.541 . 0 0 "[ . 1 . 2]" 2 106 1 31 THR H 1 31 THR HG1 . . 3.140 2.553 2.137 2.827 . 0 0 "[ . 1 . 2]" 2 107 1 31 THR H 1 31 THR HB . . 3.310 2.556 2.369 2.701 . 0 0 "[ . 1 . 2]" 2 108 1 31 THR H 1 75 VAL HB . . 3.540 2.590 1.939 3.230 . 0 0 "[ . 1 . 2]" 2 109 1 85 ASN H 1 86 GLN H . . 3.290 2.143 1.950 2.319 . 0 0 "[ . 1 . 2]" 2 110 1 84 VAL HA 1 86 GLN H . . 3.960 3.736 3.543 3.950 . 0 0 "[ . 1 . 2]" 2 111 1 85 ASN HB3 1 86 GLN H . . 4.370 4.043 3.125 4.329 . 0 0 "[ . 1 . 2]" 2 112 1 84 VAL HB 1 86 GLN H . . 3.800 3.228 2.784 3.535 . 0 0 "[ . 1 . 2]" 2 113 1 86 GLN H 1 86 GLN HB2 . . 4.010 3.427 3.081 3.581 . 0 0 "[ . 1 . 2]" 2 114 1 86 GLN H 1 86 GLN HB3 . . 4.010 2.994 2.779 3.098 . 0 0 "[ . 1 . 2]" 2 115 1 65 ARG H 1 76 LEU H . . 4.260 3.464 3.260 3.740 . 0 0 "[ . 1 . 2]" 2 116 1 64 LEU HA 1 65 ARG H . . 3.180 2.213 2.165 2.287 . 0 0 "[ . 1 . 2]" 2 117 1 65 ARG H 1 75 VAL HA . . 4.310 3.230 2.832 3.509 . 0 0 "[ . 1 . 2]" 2 118 1 65 ARG H 1 65 ARG HB3 . . 3.720 2.623 2.485 2.825 . 0 0 "[ . 1 . 2]" 2 119 1 65 ARG H 1 65 ARG HB2 . . 3.910 2.887 2.705 3.244 . 0 0 "[ . 1 . 2]" 2 120 1 65 ARG H 1 76 LEU HB3 . . 5.110 4.002 3.688 4.291 . 0 0 "[ . 1 . 2]" 2 121 1 64 LEU HB3 1 65 ARG H . . 4.570 2.974 2.725 3.170 . 0 0 "[ . 1 . 2]" 2 122 1 65 ARG H 1 76 LEU HB2 . . 4.210 2.772 2.407 3.076 . 0 0 "[ . 1 . 2]" 2 123 1 33 ILE MD 1 65 ARG H . . 4.430 4.171 3.851 4.396 . 0 0 "[ . 1 . 2]" 2 124 1 48 GLN H 1 49 ILE H . . 3.870 3.442 2.683 3.925 0.055 19 0 "[ . 1 . 2]" 2 125 1 48 GLN H 1 48 GLN HB2 . . 4.060 2.711 2.280 3.606 . 0 0 "[ . 1 . 2]" 2 126 1 48 GLN H 1 48 GLN HB3 . . 4.060 3.641 2.848 4.018 . 0 0 "[ . 1 . 2]" 2 127 1 113 ASP HA 1 115 ASN H . . 4.210 3.946 3.639 4.230 0.020 11 0 "[ . 1 . 2]" 2 128 1 115 ASN H 1 115 ASN HB3 . . 3.740 2.675 2.220 3.730 . 0 0 "[ . 1 . 2]" 2 129 1 114 GLU QG 1 115 ASN H . . 3.790 3.369 2.234 3.810 0.020 11 0 "[ . 1 . 2]" 2 130 1 114 GLU HB2 1 115 ASN H . . 4.020 3.598 2.169 3.951 . 0 0 "[ . 1 . 2]" 2 131 1 114 GLU HB3 1 115 ASN H . . 4.020 2.794 2.325 4.030 0.010 8 0 "[ . 1 . 2]" 2 132 1 45 VAL H 1 46 ASN H . . 4.660 4.287 2.262 4.647 . 0 0 "[ . 1 . 2]" 2 133 1 44 GLY H 1 45 VAL H . . 3.870 2.802 1.808 3.840 . 0 0 "[ . 1 . 2]" 2 134 1 45 VAL H 1 45 VAL MG2 . . 4.540 3.070 1.919 3.985 . 0 0 "[ . 1 . 2]" 2 135 1 65 ARG H 1 74 SER H . . 3.990 3.616 3.212 3.774 . 0 0 "[ . 1 . 2]" 2 136 1 50 GLU H 1 94 ARG H . . 3.700 3.371 2.923 3.720 0.020 14 0 "[ . 1 . 2]" 2 137 1 50 GLU QB 1 94 ARG H . . 4.730 3.185 2.193 4.513 . 0 0 "[ . 1 . 2]" 2 138 1 94 ARG H 1 94 ARG HG2 . . 4.330 2.958 1.960 3.529 . 0 0 "[ . 1 . 2]" 2 139 1 49 ILE MG 1 94 ARG H . . 3.980 3.219 2.591 3.981 0.001 1 0 "[ . 1 . 2]" 2 140 1 10 ASN H 1 11 SER H . . 4.040 3.434 2.018 4.040 . 13 0 "[ . 1 . 2]" 2 141 1 9 ASP HA 1 10 ASN H . . 3.100 2.360 2.144 2.753 . 0 0 "[ . 1 . 2]" 2 142 1 82 GLU H 1 82 GLU HG2 . . 4.510 4.076 2.841 4.625 0.115 6 0 "[ . 1 . 2]" 2 143 1 82 GLU H 1 84 VAL MG2 . . 5.130 4.882 4.656 5.165 0.035 13 0 "[ . 1 . 2]" 2 144 1 84 VAL HB 1 85 ASN H . . 3.840 3.180 2.914 3.348 . 0 0 "[ . 1 . 2]" 2 145 1 64 LEU H 1 64 LEU MD1 . . 4.210 3.728 3.508 4.035 . 0 0 "[ . 1 . 2]" 2 146 1 63 LEU H 1 64 LEU H . . 3.310 2.364 2.152 2.540 . 0 0 "[ . 1 . 2]" 2 147 1 64 LEU H 1 64 LEU HB2 . . 4.050 2.751 2.613 3.060 . 0 0 "[ . 1 . 2]" 2 148 1 64 LEU H 1 64 LEU HG . . 3.590 3.006 2.816 3.304 . 0 0 "[ . 1 . 2]" 2 149 1 64 LEU H 1 64 LEU HB3 . . 4.050 3.829 3.763 3.973 . 0 0 "[ . 1 . 2]" 2 150 1 78 ARG H 1 78 ARG HG2 . . 4.280 3.304 1.959 4.060 . 0 0 "[ . 1 . 2]" 2 151 1 42 ASP H 1 43 VAL H . . 3.570 2.934 2.325 3.614 0.044 17 0 "[ . 1 . 2]" 2 152 1 43 VAL H 1 44 GLY H . . 3.480 2.977 2.506 3.338 . 0 0 "[ . 1 . 2]" 2 153 1 41 LEU H 1 43 VAL H . . 4.210 4.074 3.430 4.223 0.013 2 0 "[ . 1 . 2]" 2 154 1 42 ASP HA 1 43 VAL H . . 3.080 2.779 2.420 3.106 0.026 8 0 "[ . 1 . 2]" 2 155 1 42 ASP HB2 1 43 VAL H . . 4.590 4.319 3.890 4.568 . 0 0 "[ . 1 . 2]" 2 156 1 43 VAL H 1 43 VAL HB . . 4.060 3.464 2.406 3.982 . 0 0 "[ . 1 . 2]" 2 157 1 43 VAL H 1 43 VAL MG2 . . 4.280 2.710 1.840 3.913 . 0 0 "[ . 1 . 2]" 2 158 1 82 GLU H 1 83 GLU H . . 3.590 2.848 2.639 3.026 . 0 0 "[ . 1 . 2]" 2 159 1 83 GLU H 1 83 GLU HG3 . . 3.920 3.423 3.092 3.699 . 0 0 "[ . 1 . 2]" 2 160 1 82 GLU HB2 1 83 GLU H . . 4.040 3.103 2.171 3.933 . 0 0 "[ . 1 . 2]" 2 161 1 83 GLU H 1 84 VAL MG2 . . 4.240 4.074 3.721 4.252 0.012 13 0 "[ . 1 . 2]" 2 162 1 71 GLY H 1 72 TRP H . . 3.620 2.292 2.139 2.447 . 0 0 "[ . 1 . 2]" 2 163 1 72 TRP H 1 72 TRP HD1 . . 4.300 3.471 2.824 3.783 . 0 0 "[ . 1 . 2]" 2 164 1 70 SER HG 1 72 TRP H . . 4.120 2.552 1.910 3.827 . 0 0 "[ . 1 . 2]" 2 165 1 67 ASP HB2 1 72 TRP H . . 4.200 2.454 1.892 4.066 . 0 0 "[ . 1 . 2]" 2 166 1 72 TRP H 1 72 TRP QB . . 3.340 2.258 2.170 2.376 . 0 0 "[ . 1 . 2]" 2 167 1 67 ASP HB3 1 72 TRP H . . 4.200 3.072 2.247 3.487 . 0 0 "[ . 1 . 2]" 2 168 1 102 THR HB 1 103 ASP H . . 3.840 3.341 2.795 3.753 . 0 0 "[ . 1 . 2]" 2 169 1 91 VAL H 1 105 ALA H . . 3.870 2.320 2.100 2.548 . 0 0 "[ . 1 . 2]" 2 170 1 90 THR HB 1 91 VAL H . . 3.830 3.655 3.354 3.772 . 0 0 "[ . 1 . 2]" 2 171 1 70 SER H 1 71 GLY H . . 3.570 2.095 1.797 2.543 . 0 0 "[ . 1 . 2]" 2 172 1 70 SER H 1 70 SER HG . . 4.290 3.266 2.221 3.766 . 0 0 "[ . 1 . 2]" 2 173 1 97 GLY H 1 98 GLN H . . 4.690 4.381 4.255 4.494 . 0 0 "[ . 1 . 2]" 2 174 1 97 GLY HA2 1 98 GLN H . . 3.160 2.425 2.241 2.611 . 0 0 "[ . 1 . 2]" 2 175 1 97 GLY HA3 1 98 GLN H . . 3.160 2.716 2.514 2.958 . 0 0 "[ . 1 . 2]" 2 176 1 98 GLN H 1 98 GLN HB3 . . 3.940 3.519 3.209 3.714 . 0 0 "[ . 1 . 2]" 2 177 1 83 GLU H 1 84 VAL H . . 3.050 2.662 2.442 2.797 . 0 0 "[ . 1 . 2]" 2 178 1 81 ARG HA 1 84 VAL H . . 3.960 3.469 3.212 3.612 . 0 0 "[ . 1 . 2]" 2 179 1 83 GLU HA 1 84 VAL H . . 3.530 3.505 3.466 3.547 0.017 13 0 "[ . 1 . 2]" 2 180 1 83 GLU HG2 1 84 VAL H . . 4.630 2.683 2.179 3.109 . 0 0 "[ . 1 . 2]" 2 181 1 37 ARG H 1 37 ARG HB2 . . 3.940 2.628 2.185 3.632 . 0 0 "[ . 1 . 2]" 2 182 1 36 LEU HB3 1 37 ARG H . . 4.150 3.335 2.726 3.777 . 0 0 "[ . 1 . 2]" 2 183 1 19 TYR H 1 106 THR H . . 4.550 4.440 4.182 4.560 0.010 18 0 "[ . 1 . 2]" 2 184 1 106 THR H 1 106 THR MG . . 4.090 3.775 3.742 3.802 . 0 0 "[ . 1 . 2]" 2 185 1 105 ALA MB 1 106 THR H . . 3.410 3.211 3.025 3.385 . 0 0 "[ . 1 . 2]" 2 186 1 76 LEU H 1 77 HIS H . . 3.190 2.043 1.920 2.138 . 0 0 "[ . 1 . 2]" 2 187 1 77 HIS H 1 77 HIS HB3 . . 4.020 3.685 3.634 3.722 . 0 0 "[ . 1 . 2]" 2 188 1 77 HIS H 1 77 HIS HB2 . . 3.780 2.574 2.483 2.665 . 0 0 "[ . 1 . 2]" 2 189 1 76 LEU HB3 1 77 HIS H . . 3.680 2.607 2.518 2.729 . 0 0 "[ . 1 . 2]" 2 190 1 62 ARG H 1 63 LEU H . . 3.310 2.339 2.087 2.521 . 0 0 "[ . 1 . 2]" 2 191 1 61 ARG H 1 62 ARG H . . 3.560 2.588 2.270 2.887 . 0 0 "[ . 1 . 2]" 2 192 1 37 ARG H 1 37 ARG HB3 . . 3.940 3.606 3.244 3.815 . 0 0 "[ . 1 . 2]" 2 193 1 11 SER H 1 11 SER HB2 . . 3.900 2.735 2.421 3.571 . 0 0 "[ . 1 . 2]" 2 194 1 11 SER H 1 11 SER HB3 . . 3.900 3.766 3.584 3.899 . 0 0 "[ . 1 . 2]" 2 195 1 27 SER H 1 28 ALA H . . 4.730 4.486 4.375 4.599 . 0 0 "[ . 1 . 2]" 2 196 1 27 SER H 1 27 SER HG . . 3.260 2.804 2.047 3.247 . 0 0 "[ . 1 . 2]" 2 197 1 27 SER H 1 27 SER HB2 . . 3.760 2.707 2.229 3.663 . 0 0 "[ . 1 . 2]" 2 198 1 27 SER H 1 79 ILE MD . . 4.650 3.944 3.546 4.413 . 0 0 "[ . 1 . 2]" 2 199 1 63 LEU H 1 63 LEU HG . . 4.250 4.205 2.352 4.366 0.116 17 0 "[ . 1 . 2]" 2 200 1 63 LEU H 1 63 LEU HB2 . . 3.860 2.835 2.745 3.005 . 0 0 "[ . 1 . 2]" 2 201 1 63 LEU H 1 63 LEU HB3 . . 3.860 2.381 2.278 3.726 . 0 0 "[ . 1 . 2]" 2 202 1 63 LEU H 1 76 LEU MD2 . . 5.400 4.389 4.022 4.728 . 0 0 "[ . 1 . 2]" 2 203 1 60 VAL HB 1 61 ARG H . . 3.710 2.713 2.020 3.491 . 0 0 "[ . 1 . 2]" 2 204 1 61 ARG H 1 61 ARG HB3 . . 4.170 2.874 2.311 3.619 . 0 0 "[ . 1 . 2]" 2 205 1 61 ARG H 1 61 ARG HG2 . . 4.000 2.868 2.030 3.867 . 0 0 "[ . 1 . 2]" 2 206 1 61 ARG H 1 61 ARG HG3 . . 4.000 2.996 1.946 3.676 . 0 0 "[ . 1 . 2]" 2 207 1 29 PRO HA 1 30 GLY H . . 3.250 2.939 2.257 3.285 0.035 12 0 "[ . 1 . 2]" 2 208 1 33 ILE H 1 34 LEU H . . 3.520 2.575 2.348 2.802 . 0 0 "[ . 1 . 2]" 2 209 1 34 LEU H 1 72 TRP HE3 . . 4.150 4.062 3.896 4.153 0.003 11 0 "[ . 1 . 2]" 2 210 1 34 LEU H 1 73 LEU HB3 . . 3.850 2.523 2.200 2.772 . 0 0 "[ . 1 . 2]" 2 211 1 34 LEU H 1 73 LEU HB2 . . 4.040 3.976 3.798 4.066 0.026 3 0 "[ . 1 . 2]" 2 212 1 33 ILE HB 1 34 LEU H . . 3.380 2.049 1.903 2.151 . 0 0 "[ . 1 . 2]" 2 213 1 34 LEU H 1 34 LEU HG . . 3.900 2.536 2.291 2.747 . 0 0 "[ . 1 . 2]" 2 214 1 34 LEU H 1 73 LEU MD1 . . 4.950 4.615 4.252 4.967 0.017 19 0 "[ . 1 . 2]" 2 215 1 33 ILE MD 1 34 LEU H . . 4.120 3.946 3.751 4.105 . 0 0 "[ . 1 . 2]" 2 216 1 52 VAL H 1 92 MET H . . 4.110 3.410 2.906 3.893 . 0 0 "[ . 1 . 2]" 2 217 1 96 ARG H 1 97 GLY H . . 4.370 3.749 3.052 4.339 . 0 0 "[ . 1 . 2]" 2 218 1 95 ASP HB2 1 96 ARG H . . 3.950 3.166 2.104 3.801 . 0 0 "[ . 1 . 2]" 2 219 1 96 ARG H 1 96 ARG HG2 . . 4.110 2.814 1.893 4.099 . 0 0 "[ . 1 . 2]" 2 220 1 16 LYS H 1 19 TYR QE . . 4.000 1.918 1.869 2.138 . 0 0 "[ . 1 . 2]" 2 221 1 15 GLU H 1 16 LYS H . . 4.040 2.712 2.477 3.116 . 0 0 "[ . 1 . 2]" 2 222 1 14 PHE HB2 1 16 LYS H . . 4.050 3.983 3.803 4.117 0.067 14 0 "[ . 1 . 2]" 2 223 1 14 PHE HB3 1 16 LYS H . . 4.050 2.858 2.635 3.239 . 0 0 "[ . 1 . 2]" 2 224 1 16 LYS H 1 16 LYS HB2 . . 4.160 2.741 2.577 3.042 . 0 0 "[ . 1 . 2]" 2 225 1 51 TYR QD 1 71 GLY H . . 3.960 3.401 2.988 3.842 . 0 0 "[ . 1 . 2]" 2 226 1 67 ASP HB2 1 71 GLY H . . 4.250 3.113 2.150 4.253 0.003 10 0 "[ . 1 . 2]" 2 227 1 67 ASP HB3 1 71 GLY H . . 4.250 2.577 1.915 2.908 . 0 0 "[ . 1 . 2]" 2 228 1 89 PHE QD 1 90 THR H . . 4.330 3.105 2.620 3.983 . 0 0 "[ . 1 . 2]" 2 229 1 89 PHE HA 1 90 THR H . . 3.360 2.555 2.198 2.649 . 0 0 "[ . 1 . 2]" 2 230 1 90 THR H 1 90 THR MG . . 4.280 3.935 3.826 3.974 . 0 0 "[ . 1 . 2]" 2 231 1 43 VAL HA 1 44 GLY H . . 3.280 2.871 2.639 3.423 0.143 13 0 "[ . 1 . 2]" 2 232 1 43 VAL HB 1 44 GLY H . . 4.680 4.320 3.144 4.594 . 0 0 "[ . 1 . 2]" 2 233 1 16 LYS HG2 1 17 SER H . . 5.300 4.621 4.410 5.204 . 0 0 "[ . 1 . 2]" 2 234 1 17 SER H 1 18 VAL HB . . 5.500 5.336 5.143 5.488 . 0 0 "[ . 1 . 2]" 2 235 1 16 LYS HB2 1 17 SER H . . 4.330 3.945 3.425 4.303 . 0 0 "[ . 1 . 2]" 2 236 1 16 LYS HB3 1 17 SER H . . 4.330 3.133 2.737 3.626 . 0 0 "[ . 1 . 2]" 2 237 1 68 GLU H 1 69 THR H . . 3.690 2.065 1.809 2.622 . 0 0 "[ . 1 . 2]" 2 238 1 69 THR H 1 70 SER H . . 3.260 2.570 2.370 3.032 . 0 0 "[ . 1 . 2]" 2 239 1 69 THR H 1 71 GLY H . . 4.080 3.899 3.651 4.079 . 0 0 "[ . 1 . 2]" 2 240 1 68 GLU QG 1 69 THR H . . 4.250 2.830 1.900 4.054 . 0 0 "[ . 1 . 2]" 2 241 1 35 GLN HE21 1 72 TRP HE1 . . 4.100 3.152 2.580 4.084 . 0 0 "[ . 1 . 2]" 2 242 1 35 GLN HE22 1 72 TRP HE1 . . 4.100 2.486 1.839 3.507 . 0 0 "[ . 1 . 2]" 2 243 1 101 LYS HB2 1 102 THR H . . 4.720 4.422 4.182 4.608 . 0 0 "[ . 1 . 2]" 2 244 1 101 LYS HB3 1 102 THR H . . 4.720 3.884 3.045 4.462 . 0 0 "[ . 1 . 2]" 2 245 1 36 LEU H 1 36 LEU HB2 . . 3.840 2.417 2.160 2.681 . 0 0 "[ . 1 . 2]" 2 246 1 47 GLY H 1 48 GLN H . . 3.910 3.126 2.026 3.940 0.030 14 0 "[ . 1 . 2]" 2 247 1 23 LEU HG 1 24 ALA H . . 5.060 4.534 4.100 4.759 . 0 0 "[ . 1 . 2]" 2 248 1 54 GLY H 1 55 ALA H . . 4.370 3.409 2.947 3.793 . 0 0 "[ . 1 . 2]" 2 249 1 55 ALA H 1 90 THR H . . 4.520 3.628 2.783 4.136 . 0 0 "[ . 1 . 2]" 2 250 1 55 ALA H 1 90 THR HB . . 3.760 1.952 1.888 2.196 . 0 0 "[ . 1 . 2]" 2 251 1 97 GLY H 1 100 PRO HB3 . . 4.260 3.258 2.788 3.544 . 0 0 "[ . 1 . 2]" 2 252 1 19 TYR H 1 108 VAL H . . 4.380 4.231 3.949 4.386 0.006 8 0 "[ . 1 . 2]" 2 253 1 19 TYR H 1 19 TYR QD . . 3.960 2.139 1.921 2.450 . 0 0 "[ . 1 . 2]" 2 254 1 19 TYR H 1 19 TYR QB . . 3.820 2.233 2.167 2.316 . 0 0 "[ . 1 . 2]" 2 255 1 89 PHE H 1 108 VAL MG2 . . 4.940 4.680 4.377 4.926 . 0 0 "[ . 1 . 2]" 2 256 1 46 ASN H 1 47 GLY H . . 4.060 2.967 2.437 3.316 . 0 0 "[ . 1 . 2]" 2 257 1 38 ALA H 1 39 ALA H . . 3.830 2.769 2.130 3.497 . 0 0 "[ . 1 . 2]" 2 258 1 27 SER H 1 79 ILE HB . . 4.550 3.748 3.140 4.560 0.010 18 0 "[ . 1 . 2]" 2 259 1 51 TYR HB3 1 52 VAL H . . 4.450 3.847 3.447 4.259 . 0 0 "[ . 1 . 2]" 2 260 1 52 VAL H 1 93 ALA HA . . 4.420 3.642 3.259 3.934 . 0 0 "[ . 1 . 2]" 2 261 1 14 PHE HA 1 16 LYS H . . 4.620 4.456 4.126 4.627 0.007 17 0 "[ . 1 . 2]" 2 262 1 34 LEU H 1 73 LEU H . . 4.480 3.359 3.207 3.513 . 0 0 "[ . 1 . 2]" 2 263 1 24 ALA H 1 27 SER HG . . 4.210 2.987 2.254 4.116 . 0 0 "[ . 1 . 2]" 2 264 1 23 LEU HB3 1 24 ALA H . . 4.520 3.996 3.750 4.131 . 0 0 "[ . 1 . 2]" 2 265 1 23 LEU HB2 1 24 ALA H . . 4.520 4.304 4.116 4.410 . 0 0 "[ . 1 . 2]" 2 266 1 24 ALA H 1 112 LYS HB2 . . 4.930 4.527 4.133 4.773 . 0 0 "[ . 1 . 2]" 2 267 1 18 VAL HB 1 19 TYR H . . 4.530 4.416 4.349 4.484 . 0 0 "[ . 1 . 2]" 2 268 1 111 ILE HB 1 112 LYS H . . 4.920 4.403 4.163 4.470 . 0 0 "[ . 1 . 2]" 2 269 1 28 ALA H 1 31 THR H . . 4.550 4.316 3.843 4.558 0.008 4 0 "[ . 1 . 2]" 2 270 1 70 SER H 1 72 TRP H . . 4.740 3.998 3.744 4.508 . 0 0 "[ . 1 . 2]" 2 271 1 67 ASP HB3 1 70 SER H . . 4.770 2.667 2.296 3.332 . 0 0 "[ . 1 . 2]" 2 272 1 31 THR H 1 75 VAL H . . 4.310 3.658 2.783 4.357 0.047 8 0 "[ . 1 . 2]" 2 273 1 26 ASN H 1 27 SER H . . 4.540 2.846 2.137 3.278 . 0 0 "[ . 1 . 2]" 2 274 1 27 SER H 1 31 THR MG . . 5.500 5.419 5.203 5.543 0.043 19 0 "[ . 1 . 2]" 2 275 1 15 GLU H 1 38 ALA MB . . 5.500 4.885 4.216 5.499 . 0 0 "[ . 1 . 2]" 2 276 1 15 GLU H 1 105 ALA MB . . 5.500 5.441 5.030 5.508 0.008 13 0 "[ . 1 . 2]" 2 277 1 19 TYR QD 1 20 GLU H . . 4.650 4.615 4.501 4.683 0.033 18 0 "[ . 1 . 2]" 2 278 1 20 GLU H 1 21 ALA H . . 4.460 4.273 4.136 4.380 . 0 0 "[ . 1 . 2]" 2 279 1 34 LEU H 1 34 LEU MD1 . . 4.820 3.391 3.205 3.566 . 0 0 "[ . 1 . 2]" 2 280 1 34 LEU H 1 72 TRP HZ3 . . 4.620 4.561 4.376 4.628 0.008 13 0 "[ . 1 . 2]" 2 281 1 34 LEU HB3 1 35 GLN H . . 4.050 3.683 3.459 3.926 . 0 0 "[ . 1 . 2]" 2 282 1 35 GLN H 1 72 TRP HZ3 . . 4.640 4.338 3.395 4.640 0.000 1 0 "[ . 1 . 2]" 2 283 1 34 LEU H 1 35 GLN H . . 4.570 4.346 4.273 4.385 . 0 0 "[ . 1 . 2]" 2 284 1 36 LEU MD2 1 37 ARG H . . 5.500 3.998 3.237 5.189 . 0 0 "[ . 1 . 2]" 2 285 1 37 ARG H 1 38 ALA MB . . 5.500 5.164 4.456 5.541 0.041 11 0 "[ . 1 . 2]" 2 286 1 19 TYR QE 1 37 ARG H . . 4.580 3.098 2.512 3.395 . 0 0 "[ . 1 . 2]" 2 287 1 37 ARG QG 1 39 ALA H . . 4.680 4.567 4.042 4.714 0.034 18 0 "[ . 1 . 2]" 2 288 1 37 ARG HB3 1 39 ALA H . . 4.740 3.001 2.495 4.744 0.004 10 0 "[ . 1 . 2]" 2 289 1 46 ASN HA 1 47 GLY H . . 3.560 3.211 2.728 3.551 . 0 0 "[ . 1 . 2]" 2 290 1 48 GLN HB3 1 49 ILE H . . 4.780 4.281 3.628 4.582 . 0 0 "[ . 1 . 2]" 2 291 1 48 GLN HB2 1 49 ILE H . . 4.780 4.346 4.017 4.565 . 0 0 "[ . 1 . 2]" 2 292 1 51 TYR QD 1 52 VAL H . . 5.090 4.726 4.432 4.989 . 0 0 "[ . 1 . 2]" 2 293 1 53 PHE HB3 1 54 GLY H . . 4.790 3.856 3.433 4.152 . 0 0 "[ . 1 . 2]" 2 294 1 54 GLY H 1 91 VAL HA . . 4.050 1.944 1.883 2.234 . 0 0 "[ . 1 . 2]" 2 295 1 57 THR H 1 60 VAL MG2 . . 4.670 2.833 2.021 3.745 . 0 0 "[ . 1 . 2]" 2 296 1 56 ALA MB 1 60 VAL H . . 5.020 4.470 4.156 4.906 . 0 0 "[ . 1 . 2]" 2 297 1 57 THR MG 1 60 VAL H . . 4.540 2.695 1.857 4.279 . 0 0 "[ . 1 . 2]" 2 298 1 65 ARG H 1 76 LEU MD2 . . 4.820 4.317 3.978 4.688 . 0 0 "[ . 1 . 2]" 2 299 1 65 ARG H 1 76 LEU MD1 . . 5.100 4.168 3.805 4.438 . 0 0 "[ . 1 . 2]" 2 300 1 70 SER HB2 1 72 TRP H . . 5.210 3.909 3.296 4.555 . 0 0 "[ . 1 . 2]" 2 301 1 67 ASP H 1 72 TRP H . . 4.420 3.508 2.883 4.218 . 0 0 "[ . 1 . 2]" 2 302 1 64 LEU HA 1 74 SER H . . 5.500 5.285 4.686 5.509 0.009 10 0 "[ . 1 . 2]" 2 303 1 64 LEU HA 1 77 HIS H . . 4.600 3.905 3.695 4.134 . 0 0 "[ . 1 . 2]" 2 304 1 84 VAL H 1 85 ASN H . . 4.490 4.235 4.135 4.322 . 0 0 "[ . 1 . 2]" 2 305 1 51 TYR HA 1 94 ARG H . . 4.430 4.202 3.619 4.555 0.125 19 0 "[ . 1 . 2]" 2 306 1 94 ARG HB3 1 94 ARG HE . . 5.150 3.881 3.104 4.613 . 0 0 "[ . 1 . 2]" 2 307 1 94 ARG HB2 1 94 ARG HE . . 5.150 3.146 2.330 4.157 . 0 0 "[ . 1 . 2]" 2 308 1 97 GLY H 1 101 LYS H . . 5.240 5.002 4.535 5.237 . 0 0 "[ . 1 . 2]" 2 309 1 102 THR MG 1 103 ASP H . . 4.580 3.977 3.542 4.212 . 0 0 "[ . 1 . 2]" 2 310 1 90 THR MG 1 107 VAL H . . 4.600 4.444 4.004 4.616 0.016 18 0 "[ . 1 . 2]" 2 311 1 22 ASP HA 1 23 LEU HB2 . . 5.310 4.414 4.274 4.560 . 0 0 "[ . 1 . 2]" 2 312 1 23 LEU HB2 1 109 LEU HA . . 5.500 4.283 3.945 4.579 . 0 0 "[ . 1 . 2]" 2 313 1 23 LEU HB2 1 23 LEU MD2 . . 3.620 2.442 2.330 2.534 . 0 0 "[ . 1 . 2]" 2 314 1 23 LEU H 1 23 LEU HB3 . . 3.940 2.699 2.613 2.792 . 0 0 "[ . 1 . 2]" 2 315 1 23 LEU HB3 1 109 LEU HA . . 5.500 4.973 4.646 5.324 . 0 0 "[ . 1 . 2]" 2 316 1 64 LEU HB2 1 65 ARG H . . 4.570 3.942 3.669 4.124 . 0 0 "[ . 1 . 2]" 2 317 1 13 ARG HA 1 103 ASP HB2 . . 4.580 3.249 2.204 3.909 . 0 0 "[ . 1 . 2]" 2 318 1 14 PHE H 1 103 ASP HB2 . . 5.050 4.215 3.438 5.015 . 0 0 "[ . 1 . 2]" 2 319 1 93 ALA MB 1 103 ASP HB2 . . 4.970 3.646 2.267 4.582 . 0 0 "[ . 1 . 2]" 2 320 1 14 PHE H 1 103 ASP HB3 . . 5.050 3.754 2.652 4.756 . 0 0 "[ . 1 . 2]" 2 321 1 79 ILE H 1 79 ILE MD . . 4.330 3.681 2.506 4.115 . 0 0 "[ . 1 . 2]" 2 322 1 79 ILE MD 1 80 ASP H . . 5.300 4.998 4.696 5.285 . 0 0 "[ . 1 . 2]" 2 323 1 77 HIS H 1 79 ILE MD . . 5.470 4.689 4.007 5.069 . 0 0 "[ . 1 . 2]" 2 324 1 79 ILE HB 1 79 ILE MD . . 3.170 2.293 2.091 2.380 . 0 0 "[ . 1 . 2]" 2 325 1 45 VAL HB 1 47 GLY QA . . 5.500 4.970 3.772 5.514 0.014 19 0 "[ . 1 . 2]" 2 326 1 51 TYR QD 1 71 GLY HA2 . . 4.380 2.219 1.995 2.927 . 0 0 "[ . 1 . 2]" 2 327 1 51 TYR HB3 1 71 GLY HA2 . . 5.500 3.922 3.547 4.503 . 0 0 "[ . 1 . 2]" 2 328 1 36 LEU H 1 71 GLY HA2 . . 4.890 4.489 4.031 4.788 . 0 0 "[ . 1 . 2]" 2 329 1 51 TYR QE 1 71 GLY HA2 . . 5.010 3.638 3.217 4.369 . 0 0 "[ . 1 . 2]" 2 330 1 36 LEU HB2 1 71 GLY HA2 . . 4.810 3.816 3.085 4.322 . 0 0 "[ . 1 . 2]" 2 331 1 51 TYR QE 1 71 GLY HA3 . . 5.010 2.747 2.292 3.570 . 0 0 "[ . 1 . 2]" 2 332 1 51 TYR HB3 1 71 GLY HA3 . . 5.500 4.879 4.204 5.508 0.008 20 0 "[ . 1 . 2]" 2 333 1 36 LEU HB2 1 71 GLY HA3 . . 4.810 3.717 3.116 4.223 . 0 0 "[ . 1 . 2]" 2 334 1 36 LEU H 1 71 GLY HA3 . . 4.890 4.094 3.570 4.607 . 0 0 "[ . 1 . 2]" 2 335 1 51 TYR QD 1 71 GLY HA3 . . 4.380 2.712 1.994 3.635 . 0 0 "[ . 1 . 2]" 2 336 1 73 LEU HB3 1 74 SER H . . 4.420 3.927 3.754 4.128 . 0 0 "[ . 1 . 2]" 2 337 1 73 LEU H 1 73 LEU HB3 . . 3.740 2.836 2.553 3.047 . 0 0 "[ . 1 . 2]" 2 338 1 34 LEU HG 1 73 LEU HB3 . . 4.230 2.842 2.507 3.061 . 0 0 "[ . 1 . 2]" 2 339 1 33 ILE MG 1 73 LEU HB3 . . 4.080 3.578 3.287 3.795 . 0 0 "[ . 1 . 2]" 2 340 1 73 LEU HB2 1 74 SER H . . 4.700 4.340 4.175 4.504 . 0 0 "[ . 1 . 2]" 2 341 1 73 LEU H 1 73 LEU HB2 . . 3.640 2.683 2.267 3.013 . 0 0 "[ . 1 . 2]" 2 342 1 34 LEU HG 1 73 LEU HB2 . . 4.320 3.973 3.582 4.273 . 0 0 "[ . 1 . 2]" 2 343 1 33 ILE MG 1 73 LEU HB2 . . 5.220 4.900 4.609 5.120 . 0 0 "[ . 1 . 2]" 2 344 1 33 ILE MD 1 73 LEU HB2 . . 4.760 4.607 4.218 4.782 0.022 14 0 "[ . 1 . 2]" 2 345 1 79 ILE HA 1 79 ILE MD . . 3.950 3.851 3.488 3.907 . 0 0 "[ . 1 . 2]" 2 346 1 25 GLU HA 1 79 ILE MD . . 4.110 3.754 3.192 4.112 0.002 3 0 "[ . 1 . 2]" 2 347 1 34 LEU MD1 1 73 LEU HB3 . . 4.470 2.754 2.537 3.152 . 0 0 "[ . 1 . 2]" 2 348 1 54 GLY HA2 1 55 ALA MB . . 5.050 4.645 4.587 4.759 . 0 0 "[ . 1 . 2]" 2 349 1 54 GLY HA2 1 90 THR MG . . 5.240 5.016 4.618 5.241 0.001 1 0 "[ . 1 . 2]" 2 350 1 53 PHE HA 1 54 GLY HA3 . . 4.510 4.412 4.368 4.459 . 0 0 "[ . 1 . 2]" 2 351 1 87 LEU HB2 1 89 PHE QD . . 4.660 4.118 3.539 4.482 . 0 0 "[ . 1 . 2]" 2 352 1 87 LEU HB2 1 109 LEU HB2 . . 4.680 2.390 2.037 2.806 . 0 0 "[ . 1 . 2]" 2 353 1 87 LEU HB2 1 87 LEU MD1 . . 3.460 2.125 1.999 2.329 . 0 0 "[ . 1 . 2]" 2 354 1 87 LEU HB3 1 87 LEU MD1 . . 3.460 2.608 2.383 3.122 . 0 0 "[ . 1 . 2]" 2 355 1 87 LEU HB2 1 89 PHE QE . . 4.460 3.643 3.153 3.982 . 0 0 "[ . 1 . 2]" 2 356 1 64 LEU MD1 1 87 LEU HB2 . . 4.690 3.811 3.520 4.109 . 0 0 "[ . 1 . 2]" 2 357 1 87 LEU HB3 1 89 PHE QE . . 4.460 3.475 2.686 4.063 . 0 0 "[ . 1 . 2]" 2 358 1 64 LEU MD1 1 87 LEU HB3 . . 4.690 3.453 2.815 3.886 . 0 0 "[ . 1 . 2]" 2 359 1 94 ARG HD2 1 100 PRO HG3 . . 4.410 3.748 2.254 4.427 0.017 20 0 "[ . 1 . 2]" 2 360 1 52 VAL MG2 1 94 ARG HD2 . . 5.040 4.763 3.677 5.051 0.011 9 0 "[ . 1 . 2]" 2 361 1 92 MET ME 1 94 ARG HD3 . . 4.370 3.788 3.081 4.375 0.005 3 0 "[ . 1 . 2]" 2 362 1 94 ARG HD3 1 102 THR MG . . 4.450 3.148 2.292 3.919 . 0 0 "[ . 1 . 2]" 2 363 1 52 VAL MG1 1 94 ARG HD3 . . 4.870 4.461 3.787 4.873 0.003 5 0 "[ . 1 . 2]" 2 364 1 76 LEU H 1 76 LEU HB3 . . 3.880 2.617 2.499 2.697 . 0 0 "[ . 1 . 2]" 2 365 1 94 ARG HD3 1 100 PRO HG2 . . 5.500 4.623 2.986 5.507 0.007 17 0 "[ . 1 . 2]" 2 366 1 64 LEU HA 1 76 LEU HB3 . . 4.790 3.322 3.022 3.648 . 0 0 "[ . 1 . 2]" 2 367 1 76 LEU H 1 76 LEU HB2 . . 4.040 2.880 2.791 2.970 . 0 0 "[ . 1 . 2]" 2 368 1 76 LEU HB2 1 77 HIS H . . 4.230 3.830 3.761 3.948 . 0 0 "[ . 1 . 2]" 2 369 1 64 LEU HA 1 76 LEU HB2 . . 5.030 3.158 2.913 3.399 . 0 0 "[ . 1 . 2]" 2 370 1 65 ARG HB2 1 76 LEU HB2 . . 4.000 2.046 1.993 2.240 . 0 0 "[ . 1 . 2]" 2 371 1 63 LEU HB2 1 64 LEU H . . 4.590 4.127 3.681 4.300 . 0 0 "[ . 1 . 2]" 2 372 1 63 LEU HB3 1 64 LEU H . . 4.590 3.040 2.650 4.461 . 0 0 "[ . 1 . 2]" 2 373 1 49 ILE MD 1 50 GLU H . . 4.390 3.535 3.164 3.961 . 0 0 "[ . 1 . 2]" 2 374 1 13 ARG H 1 49 ILE MD . . 5.500 5.105 4.606 5.518 0.018 14 0 "[ . 1 . 2]" 2 375 1 49 ILE H 1 49 ILE MD . . 4.300 3.567 2.606 4.120 . 0 0 "[ . 1 . 2]" 2 376 1 49 ILE MD 1 95 ASP HA . . 4.020 2.607 1.914 3.628 . 0 0 "[ . 1 . 2]" 2 377 1 49 ILE HA 1 49 ILE MD . . 3.370 2.067 1.947 2.405 . 0 0 "[ . 1 . 2]" 2 378 1 49 ILE MD 1 95 ASP HB2 . . 4.250 2.600 1.857 4.237 . 0 0 "[ . 1 . 2]" 2 379 1 49 ILE MD 1 95 ASP HB3 . . 4.250 3.220 1.863 4.262 0.012 20 0 "[ . 1 . 2]" 2 380 1 12 PRO HG2 1 49 ILE MD . . 4.460 4.297 3.924 4.473 0.013 19 0 "[ . 1 . 2]" 2 381 1 12 PRO HB2 1 49 ILE MD . . 3.560 3.184 2.492 3.495 . 0 0 "[ . 1 . 2]" 2 382 1 49 ILE HB 1 49 ILE MD . . 3.570 3.215 3.192 3.228 . 0 0 "[ . 1 . 2]" 2 383 1 12 PRO HB3 1 49 ILE MD . . 3.560 2.008 1.883 2.199 . 0 0 "[ . 1 . 2]" 2 384 1 49 ILE MD 1 49 ILE MG . . 3.000 1.983 1.885 2.173 . 0 0 "[ . 1 . 2]" 2 385 1 109 LEU H 1 109 LEU HB3 . . 3.780 3.707 3.617 3.766 . 0 0 "[ . 1 . 2]" 2 386 1 23 LEU H 1 109 LEU HB3 . . 4.890 3.631 3.224 3.917 . 0 0 "[ . 1 . 2]" 2 387 1 109 LEU HB3 1 110 ASN H . . 5.370 3.749 3.409 3.968 . 0 0 "[ . 1 . 2]" 2 388 1 23 LEU HG 1 109 LEU HB3 . . 4.680 3.991 3.616 4.521 . 0 0 "[ . 1 . 2]" 2 389 1 33 ILE MG 1 109 LEU HB3 . . 4.830 4.164 3.677 4.462 . 0 0 "[ . 1 . 2]" 2 390 1 107 VAL MG1 1 109 LEU HB3 . . 4.780 4.687 4.451 4.777 . 0 0 "[ . 1 . 2]" 2 391 1 109 LEU H 1 109 LEU HB2 . . 4.120 2.548 2.411 2.642 . 0 0 "[ . 1 . 2]" 2 392 1 109 LEU HB2 1 110 ASN H . . 4.530 4.389 4.213 4.478 . 0 0 "[ . 1 . 2]" 2 393 1 109 LEU HB2 1 109 LEU MD2 . . 3.540 3.187 3.178 3.195 . 0 0 "[ . 1 . 2]" 2 394 1 87 LEU HB3 1 109 LEU HB2 . . 4.680 3.905 3.139 4.533 . 0 0 "[ . 1 . 2]" 2 395 1 65 ARG HD2 1 66 LEU H . . 5.500 4.187 2.634 5.496 . 0 0 "[ . 1 . 2]" 2 396 1 65 ARG HD3 1 66 LEU H . . 5.500 4.736 3.065 5.508 0.008 17 0 "[ . 1 . 2]" 2 397 1 81 ARG H 1 81 ARG QD . . 4.480 4.386 4.232 4.490 0.010 11 0 "[ . 1 . 2]" 2 398 1 81 ARG QD 1 82 GLU H . . 4.960 3.636 3.346 4.359 . 0 0 "[ . 1 . 2]" 2 399 1 65 ARG HD2 1 76 LEU MD1 . . 3.770 2.955 1.973 3.832 0.062 14 0 "[ . 1 . 2]" 2 400 1 65 ARG HD3 1 76 LEU MD1 . . 3.770 2.551 1.963 3.642 . 0 0 "[ . 1 . 2]" 2 401 1 34 LEU HB2 1 35 GLN H . . 4.050 2.376 2.042 2.796 . 0 0 "[ . 1 . 2]" 2 402 1 33 ILE MG 1 34 LEU HB2 . . 4.390 4.193 4.031 4.348 . 0 0 "[ . 1 . 2]" 2 403 1 33 ILE MG 1 34 LEU HB3 . . 4.390 2.965 2.721 3.175 . 0 0 "[ . 1 . 2]" 2 404 1 87 LEU H 1 111 ILE MD . . 4.300 3.264 2.914 3.711 . 0 0 "[ . 1 . 2]" 2 405 1 23 LEU H 1 111 ILE MD . . 4.490 4.236 3.992 4.455 . 0 0 "[ . 1 . 2]" 2 406 1 111 ILE MD 1 112 LYS H . . 3.890 3.783 3.633 3.897 0.007 3 0 "[ . 1 . 2]" 2 407 1 111 ILE H 1 111 ILE MD . . 3.750 3.245 3.006 3.460 . 0 0 "[ . 1 . 2]" 2 408 1 86 GLN HA 1 111 ILE MD . . 4.290 3.613 3.261 3.970 . 0 0 "[ . 1 . 2]" 2 409 1 111 ILE HA 1 111 ILE MD . . 3.150 2.000 1.958 2.100 . 0 0 "[ . 1 . 2]" 2 410 1 81 ARG HA 1 111 ILE MD . . 4.500 4.056 3.726 4.405 . 0 0 "[ . 1 . 2]" 2 411 1 111 ILE HB 1 111 ILE MD . . 3.330 3.219 3.211 3.229 . 0 0 "[ . 1 . 2]" 2 412 1 109 LEU HB3 1 111 ILE MD . . 3.950 3.696 3.386 3.946 . 0 0 "[ . 1 . 2]" 2 413 1 111 ILE MD 1 111 ILE MG . . 2.440 1.968 1.884 2.080 . 0 0 "[ . 1 . 2]" 2 414 1 13 ARG QD 1 14 PHE H . . 4.750 3.636 2.198 4.753 0.003 11 0 "[ . 1 . 2]" 2 415 1 88 ARG H 1 88 ARG QD . . 5.500 4.924 4.437 5.318 . 0 0 "[ . 1 . 2]" 2 416 1 88 ARG QD 1 89 PHE H . . 5.500 4.635 2.237 5.500 0.000 4 0 "[ . 1 . 2]" 2 417 1 13 ARG H 1 13 ARG QD . . 5.000 4.567 4.217 4.836 . 0 0 "[ . 1 . 2]" 2 418 1 78 ARG H 1 78 ARG QD . . 4.400 3.416 1.865 4.160 . 0 0 "[ . 1 . 2]" 2 419 1 88 ARG QD 1 108 VAL HA . . 5.080 4.608 3.995 5.052 . 0 0 "[ . 1 . 2]" 2 420 1 78 ARG QB 1 78 ARG QD . . 3.030 2.286 2.071 2.596 . 0 0 "[ . 1 . 2]" 2 421 1 88 ARG QD 1 108 VAL MG2 . . 3.800 3.159 2.590 3.727 . 0 0 "[ . 1 . 2]" 2 422 1 88 ARG QD 1 106 THR MG . . 4.150 3.086 1.899 3.897 . 0 0 "[ . 1 . 2]" 2 423 1 62 ARG QB 1 62 ARG QD . . 3.290 2.195 2.089 2.479 . 0 0 "[ . 1 . 2]" 2 424 1 96 ARG H 1 96 ARG QD . . 4.800 3.889 3.240 4.811 0.011 1 0 "[ . 1 . 2]" 2 425 1 62 ARG H 1 62 ARG QD . . 4.800 3.604 1.884 4.092 . 0 0 "[ . 1 . 2]" 2 426 1 62 ARG QD 1 63 LEU H . . 4.850 4.143 2.695 4.530 . 0 0 "[ . 1 . 2]" 2 427 1 62 ARG HA 1 62 ARG QD . . 4.580 4.329 3.853 4.616 0.036 16 0 "[ . 1 . 2]" 2 428 1 59 SER HA 1 62 ARG QD . . 4.520 2.380 1.932 3.304 . 0 0 "[ . 1 . 2]" 2 429 1 58 GLU HA 1 62 ARG QD . . 5.500 4.834 4.171 5.503 0.003 5 0 "[ . 1 . 2]" 2 430 1 59 SER QB 1 62 ARG QD . . 5.500 3.994 3.419 4.856 . 0 0 "[ . 1 . 2]" 2 431 1 61 ARG H 1 61 ARG HD2 . . 5.130 4.672 3.938 5.154 0.024 13 0 "[ . 1 . 2]" 2 432 1 58 GLU HA 1 61 ARG HD2 . . 4.390 3.830 1.998 4.387 . 0 0 "[ . 1 . 2]" 2 433 1 61 ARG HA 1 61 ARG HD2 . . 4.990 4.613 3.851 4.930 . 0 0 "[ . 1 . 2]" 2 434 1 61 ARG HB2 1 61 ARG HD2 . . 3.800 2.791 2.264 3.742 . 0 0 "[ . 1 . 2]" 2 435 1 61 ARG HB3 1 61 ARG HD2 . . 3.800 3.220 2.282 3.781 . 0 0 "[ . 1 . 2]" 2 436 1 61 ARG H 1 61 ARG HD3 . . 5.130 4.289 3.659 5.042 . 0 0 "[ . 1 . 2]" 2 437 1 61 ARG HA 1 61 ARG HD3 . . 4.990 4.723 4.413 4.987 . 0 0 "[ . 1 . 2]" 2 438 1 61 ARG HB3 1 61 ARG HD3 . . 3.800 2.790 2.436 3.624 . 0 0 "[ . 1 . 2]" 2 439 1 67 ASP HB2 1 68 GLU H . . 4.970 4.062 3.662 4.487 . 0 0 "[ . 1 . 2]" 2 440 1 67 ASP HB2 1 70 SER H . . 4.770 3.942 3.339 4.563 . 0 0 "[ . 1 . 2]" 2 441 1 67 ASP H 1 67 ASP HB2 . . 3.740 2.390 2.220 2.648 . 0 0 "[ . 1 . 2]" 2 442 1 67 ASP HB2 1 70 SER HG . . 4.850 3.191 2.497 3.869 . 0 0 "[ . 1 . 2]" 2 443 1 61 ARG HB2 1 61 ARG HD3 . . 3.800 2.893 2.295 3.778 . 0 0 "[ . 1 . 2]" 2 444 1 67 ASP HB3 1 68 GLU H . . 4.970 2.984 2.234 4.202 . 0 0 "[ . 1 . 2]" 2 445 1 67 ASP H 1 67 ASP HB3 . . 3.740 3.430 2.700 3.724 . 0 0 "[ . 1 . 2]" 2 446 1 67 ASP HB3 1 70 SER HG . . 4.850 3.044 1.993 3.990 . 0 0 "[ . 1 . 2]" 2 447 1 14 PHE QD 1 36 LEU HB2 . . 5.110 4.736 3.888 5.143 0.033 20 0 "[ . 1 . 2]" 2 448 1 36 LEU HB2 1 37 ARG H . . 5.310 4.237 3.826 4.545 . 0 0 "[ . 1 . 2]" 2 449 1 14 PHE QE 1 36 LEU HB2 . . 4.180 3.352 2.569 3.805 . 0 0 "[ . 1 . 2]" 2 450 1 14 PHE QD 1 36 LEU HB3 . . 4.730 3.116 2.244 3.618 . 0 0 "[ . 1 . 2]" 2 451 1 36 LEU HB3 1 51 TYR QD . . 4.950 3.213 2.184 3.807 . 0 0 "[ . 1 . 2]" 2 452 1 41 LEU HB2 1 42 ASP H . . 4.280 3.088 1.886 4.122 . 0 0 "[ . 1 . 2]" 2 453 1 41 LEU H 1 41 LEU HB2 . . 4.040 2.962 2.446 3.490 . 0 0 "[ . 1 . 2]" 2 454 1 41 LEU H 1 41 LEU HB3 . . 4.040 3.888 3.630 4.077 0.037 7 0 "[ . 1 . 2]" 2 455 1 104 LYS QB 1 104 LYS QE . . 3.680 3.124 2.176 3.651 . 0 0 "[ . 1 . 2]" 2 456 1 104 LYS QE 1 104 LYS HG2 . . 3.400 2.801 2.302 3.257 . 0 0 "[ . 1 . 2]" 2 457 1 104 LYS QE 1 104 LYS HG3 . . 3.400 2.258 2.073 2.491 . 0 0 "[ . 1 . 2]" 2 458 1 90 THR MG 1 104 LYS QE . . 4.240 4.062 3.631 4.250 0.010 14 0 "[ . 1 . 2]" 2 459 1 102 THR MG 1 104 LYS QE . . 5.500 5.346 5.049 5.515 0.015 20 0 "[ . 1 . 2]" 2 460 1 80 ASP HB3 1 81 ARG H . . 4.250 4.119 3.813 4.249 . 0 0 "[ . 1 . 2]" 2 461 1 80 ASP HB3 1 82 GLU H . . 4.870 3.665 3.276 4.814 . 0 0 "[ . 1 . 2]" 2 462 1 80 ASP H 1 80 ASP HB3 . . 3.620 2.890 2.587 3.128 . 0 0 "[ . 1 . 2]" 2 463 1 80 ASP HB3 1 83 GLU HB3 . . 4.500 2.844 2.471 3.142 . 0 0 "[ . 1 . 2]" 2 464 1 79 ILE MG 1 80 ASP HB3 . . 5.290 4.474 4.326 4.726 . 0 0 "[ . 1 . 2]" 2 465 1 80 ASP HB3 1 83 GLU HG3 . . 4.720 3.755 3.486 4.234 . 0 0 "[ . 1 . 2]" 2 466 1 80 ASP H 1 80 ASP HB2 . . 3.660 2.912 2.671 3.360 . 0 0 "[ . 1 . 2]" 2 467 1 80 ASP HB2 1 83 GLU HB3 . . 4.520 4.160 3.661 4.499 . 0 0 "[ . 1 . 2]" 2 468 1 80 ASP HB2 1 82 GLU H . . 5.250 4.720 4.543 5.028 . 0 0 "[ . 1 . 2]" 2 469 1 79 ILE MG 1 80 ASP HB2 . . 5.080 4.519 4.276 4.931 . 0 0 "[ . 1 . 2]" 2 470 1 80 ASP HB2 1 84 VAL MG2 . . 5.500 5.082 4.802 5.512 0.012 12 0 "[ . 1 . 2]" 2 471 1 112 LYS HA 1 112 LYS HE2 . . 4.930 4.403 1.985 4.887 . 0 0 "[ . 1 . 2]" 2 472 1 112 LYS HB3 1 112 LYS HE2 . . 4.280 3.311 2.212 4.294 0.014 1 0 "[ . 1 . 2]" 2 473 1 112 LYS HA 1 112 LYS HE3 . . 4.930 3.860 1.981 4.867 . 0 0 "[ . 1 . 2]" 2 474 1 112 LYS HB3 1 112 LYS HE3 . . 4.280 2.697 2.008 4.054 . 0 0 "[ . 1 . 2]" 2 475 1 113 ASP H 1 113 ASP HB2 . . 3.970 3.118 2.342 3.768 . 0 0 "[ . 1 . 2]" 2 476 1 113 ASP H 1 113 ASP HB3 . . 3.970 3.175 2.376 3.764 . 0 0 "[ . 1 . 2]" 2 477 1 93 ALA H 1 102 THR HB . . 4.700 3.268 2.825 3.993 . 0 0 "[ . 1 . 2]" 2 478 1 94 ARG HA 1 102 THR HB . . 5.080 4.707 4.192 5.076 . 0 0 "[ . 1 . 2]" 2 479 1 92 MET HG3 1 102 THR HB . . 4.310 4.246 4.094 4.346 0.036 14 0 "[ . 1 . 2]" 2 480 1 92 MET HB2 1 102 THR HB . . 4.780 4.310 3.926 4.741 . 0 0 "[ . 1 . 2]" 2 481 1 92 MET HB3 1 102 THR HB . . 4.780 2.769 2.273 3.368 . 0 0 "[ . 1 . 2]" 2 482 1 40 ASP H 1 40 ASP HB3 . . 3.660 3.356 2.734 3.860 0.200 20 0 "[ . 1 . 2]" 2 483 1 40 ASP HB3 1 41 LEU H . . 4.550 4.066 2.496 4.598 0.048 11 0 "[ . 1 . 2]" 2 484 1 40 ASP H 1 40 ASP HB2 . . 3.660 3.101 2.333 3.800 0.140 20 0 "[ . 1 . 2]" 2 485 1 116 ASP H 1 116 ASP HB2 . . 3.580 2.688 2.179 3.645 0.065 1 0 "[ . 1 . 2]" 2 486 1 42 ASP H 1 42 ASP HB3 . . 3.990 3.488 2.701 4.029 0.039 15 0 "[ . 1 . 2]" 2 487 1 42 ASP HB3 1 43 VAL H . . 4.590 4.345 3.878 4.635 0.045 11 0 "[ . 1 . 2]" 2 488 1 95 ASP HB3 1 96 ARG H . . 3.950 3.454 1.997 3.878 . 0 0 "[ . 1 . 2]" 2 489 1 33 ILE H 1 33 ILE HB . . 3.940 2.558 2.473 2.658 . 0 0 "[ . 1 . 2]" 2 490 1 33 ILE HB 1 73 LEU HB3 . . 4.350 2.628 2.370 2.819 . 0 0 "[ . 1 . 2]" 2 491 1 33 ILE HB 1 34 LEU HG . . 4.450 2.913 2.729 3.173 . 0 0 "[ . 1 . 2]" 2 492 1 110 ASN H 1 110 ASN HB2 . . 3.490 2.321 2.210 2.506 . 0 0 "[ . 1 . 2]" 2 493 1 110 ASN HB2 1 111 ILE H . . 4.550 4.414 4.296 4.531 . 0 0 "[ . 1 . 2]" 2 494 1 110 ASN HB2 1 110 ASN HD22 . . 4.020 3.501 3.442 3.612 . 0 0 "[ . 1 . 2]" 2 495 1 110 ASN HB2 1 110 ASN HD21 . . 3.460 2.284 2.136 2.553 . 0 0 "[ . 1 . 2]" 2 496 1 22 ASP HA 1 110 ASN HB2 . . 3.630 2.840 2.178 3.249 . 0 0 "[ . 1 . 2]" 2 497 1 110 ASN H 1 110 ASN HB3 . . 3.660 3.561 3.505 3.616 . 0 0 "[ . 1 . 2]" 2 498 1 22 ASP HA 1 110 ASN HB3 . . 4.780 4.247 3.520 4.783 0.003 11 0 "[ . 1 . 2]" 2 499 1 110 ASN HB3 1 111 ILE H . . 4.310 3.555 3.282 3.753 . 0 0 "[ . 1 . 2]" 2 500 1 51 TYR H 1 51 TYR HB2 . . 3.850 2.810 2.571 3.163 . 0 0 "[ . 1 . 2]" 2 501 1 51 TYR HB3 1 68 GLU HA . . 5.030 4.290 3.728 4.959 . 0 0 "[ . 1 . 2]" 2 502 1 51 TYR HB3 1 93 ALA HA . . 5.480 4.853 4.291 5.404 . 0 0 "[ . 1 . 2]" 2 503 1 51 TYR HB3 1 66 LEU HG . . 4.810 4.266 3.730 4.785 . 0 0 "[ . 1 . 2]" 2 504 1 54 GLY HA3 1 90 THR HB . . 4.690 3.448 3.070 3.821 . 0 0 "[ . 1 . 2]" 2 505 1 53 PHE HB2 1 54 GLY H . . 4.770 4.567 4.427 4.617 . 0 0 "[ . 1 . 2]" 2 506 1 14 PHE HB3 1 19 TYR QE . . 4.650 2.043 1.931 2.201 . 0 0 "[ . 1 . 2]" 2 507 1 54 GLY H 1 90 THR HB . . 4.600 4.287 4.001 4.610 0.010 19 0 "[ . 1 . 2]" 2 508 1 90 THR H 1 90 THR HB . . 3.530 2.863 2.666 2.986 . 0 0 "[ . 1 . 2]" 2 509 1 90 THR HB 1 106 THR HA . . 5.150 4.878 4.643 5.146 . 0 0 "[ . 1 . 2]" 2 510 1 90 THR HB 1 91 VAL MG2 . . 5.280 5.202 4.929 5.286 0.006 20 0 "[ . 1 . 2]" 2 511 1 60 VAL MG1 1 89 PHE HB3 . . 5.030 2.334 2.010 2.753 . 0 0 "[ . 1 . 2]" 2 512 1 60 VAL MG2 1 89 PHE HB3 . . 5.030 2.692 1.996 3.314 . 0 0 "[ . 1 . 2]" 2 513 1 85 ASN H 1 85 ASN HB2 . . 4.080 3.531 2.779 3.748 . 0 0 "[ . 1 . 2]" 2 514 1 85 ASN HB2 1 86 GLN H . . 4.370 3.832 3.273 4.288 . 0 0 "[ . 1 . 2]" 2 515 1 85 ASN HB2 1 111 ILE HB . . 5.500 4.602 4.331 4.979 . 0 0 "[ . 1 . 2]" 2 516 1 85 ASN HB2 1 111 ILE MG . . 5.500 5.222 4.677 5.503 0.003 8 0 "[ . 1 . 2]" 2 517 1 85 ASN H 1 85 ASN HB3 . . 4.080 2.953 2.369 3.744 . 0 0 "[ . 1 . 2]" 2 518 1 85 ASN HB3 1 111 ILE HB . . 5.500 5.204 4.169 5.455 . 0 0 "[ . 1 . 2]" 2 519 1 85 ASN HB3 1 111 ILE MG . . 5.500 5.356 4.605 5.512 0.012 13 0 "[ . 1 . 2]" 2 520 1 115 ASN H 1 115 ASN HB2 . . 3.740 2.581 2.226 3.561 . 0 0 "[ . 1 . 2]" 2 521 1 8 ASN HB2 1 9 ASP H . . 5.150 3.782 2.540 4.533 . 0 0 "[ . 1 . 2]" 2 522 1 26 ASN H 1 79 ILE HB . . 5.500 5.246 4.933 5.467 . 0 0 "[ . 1 . 2]" 2 523 1 49 ILE HB 1 50 GLU H . . 4.640 4.118 3.734 4.350 . 0 0 "[ . 1 . 2]" 2 524 1 46 ASN H 1 46 ASN HB2 . . 4.160 2.800 2.209 3.948 . 0 0 "[ . 1 . 2]" 2 525 1 79 ILE HB 1 80 ASP H . . 4.620 3.993 3.742 4.288 . 0 0 "[ . 1 . 2]" 2 526 1 79 ILE H 1 79 ILE HB . . 3.970 2.632 2.542 2.768 . 0 0 "[ . 1 . 2]" 2 527 1 25 GLU HA 1 79 ILE HB . . 4.410 3.065 2.458 3.416 . 0 0 "[ . 1 . 2]" 2 528 1 106 THR H 1 106 THR HB . . 3.250 2.607 2.514 2.751 . 0 0 "[ . 1 . 2]" 2 529 1 105 ALA MB 1 106 THR HB . . 5.380 5.030 4.926 5.161 . 0 0 "[ . 1 . 2]" 2 530 1 19 TYR H 1 106 THR HB . . 4.840 4.463 4.113 4.838 . 0 0 "[ . 1 . 2]" 2 531 1 106 THR HB 1 107 VAL H . . 4.640 4.039 3.860 4.311 . 0 0 "[ . 1 . 2]" 2 532 1 18 VAL HB 1 106 THR HB . . 4.780 4.342 3.999 4.797 0.017 11 0 "[ . 1 . 2]" 2 533 1 18 VAL MG1 1 106 THR HB . . 3.450 2.350 1.921 3.018 . 0 0 "[ . 1 . 2]" 2 534 1 28 ALA H 1 31 THR HB . . 5.020 3.835 3.432 4.232 . 0 0 "[ . 1 . 2]" 2 535 1 31 THR HB 1 75 VAL H . . 4.700 3.858 3.494 4.248 . 0 0 "[ . 1 . 2]" 2 536 1 31 THR HB 1 75 VAL HB . . 3.880 3.188 2.850 3.694 . 0 0 "[ . 1 . 2]" 2 537 1 69 THR HB 1 70 SER H . . 4.140 3.738 2.040 4.148 0.008 8 0 "[ . 1 . 2]" 2 538 1 69 THR H 1 69 THR HB . . 3.290 2.698 2.554 2.946 . 0 0 "[ . 1 . 2]" 2 539 1 26 ASN HB2 1 114 GLU QG . . 5.500 3.860 2.015 5.277 . 0 0 "[ . 1 . 2]" 2 540 1 26 ASN HB3 1 114 GLU QG . . 5.500 3.537 2.059 5.277 . 0 0 "[ . 1 . 2]" 2 541 1 104 LYS H 1 104 LYS QB . . 3.520 2.235 2.156 2.348 . 0 0 "[ . 1 . 2]" 2 542 1 104 LYS QB 1 105 ALA H . . 3.810 3.003 2.673 3.391 . 0 0 "[ . 1 . 2]" 2 543 1 14 PHE QE 1 104 LYS QB . . 5.380 5.260 5.071 5.350 . 0 0 "[ . 1 . 2]" 2 544 1 15 GLU HG2 1 39 ALA MB . . 5.160 2.964 1.961 4.073 . 0 0 "[ . 1 . 2]" 2 545 1 15 GLU H 1 15 GLU HG2 . . 3.900 2.813 2.385 3.547 . 0 0 "[ . 1 . 2]" 2 546 1 15 GLU HG2 1 16 LYS H . . 4.820 4.646 4.443 4.848 0.028 9 0 "[ . 1 . 2]" 2 547 1 15 GLU H 1 15 GLU HG3 . . 3.900 2.732 2.203 3.736 . 0 0 "[ . 1 . 2]" 2 548 1 15 GLU HG3 1 16 LYS H . . 4.820 4.372 3.929 4.842 0.022 17 0 "[ . 1 . 2]" 2 549 1 15 GLU HA 1 15 GLU HG3 . . 3.980 3.514 3.109 3.750 . 0 0 "[ . 1 . 2]" 2 550 1 15 GLU HG3 1 39 ALA MB . . 5.160 3.989 2.678 5.212 0.052 14 0 "[ . 1 . 2]" 2 551 1 52 VAL HB 1 53 PHE HB2 . . 4.830 4.103 3.959 4.299 . 0 0 "[ . 1 . 2]" 2 552 1 82 GLU H 1 82 GLU HG3 . . 4.510 3.647 2.259 4.528 0.018 10 0 "[ . 1 . 2]" 2 553 1 92 MET H 1 92 MET HB2 . . 3.950 2.310 2.257 2.495 . 0 0 "[ . 1 . 2]" 2 554 1 52 VAL H 1 92 MET HB2 . . 5.030 3.808 3.496 4.062 . 0 0 "[ . 1 . 2]" 2 555 1 92 MET HB2 1 93 ALA H . . 4.410 4.014 3.705 4.210 . 0 0 "[ . 1 . 2]" 2 556 1 92 MET HB2 1 102 THR MG . . 4.800 4.452 3.942 4.793 . 0 0 "[ . 1 . 2]" 2 557 1 92 MET H 1 92 MET HB3 . . 3.950 3.535 3.495 3.654 . 0 0 "[ . 1 . 2]" 2 558 1 52 VAL H 1 92 MET HB3 . . 5.030 4.293 3.910 4.536 . 0 0 "[ . 1 . 2]" 2 559 1 92 MET HB3 1 93 ALA H . . 4.410 2.714 2.297 3.067 . 0 0 "[ . 1 . 2]" 2 560 1 92 MET HB3 1 102 THR MG . . 4.800 3.136 2.517 3.511 . 0 0 "[ . 1 . 2]" 2 561 1 52 VAL HB 1 53 PHE HB3 . . 5.500 5.344 5.270 5.481 . 0 0 "[ . 1 . 2]" 2 562 1 58 GLU QG 1 62 ARG QD . . 5.500 3.804 2.072 5.441 . 0 0 "[ . 1 . 2]" 2 563 1 80 ASP HB3 1 83 GLU HG2 . . 4.720 2.074 1.989 2.503 . 0 0 "[ . 1 . 2]" 2 564 1 83 GLU H 1 83 GLU HG2 . . 3.920 2.523 2.302 2.698 . 0 0 "[ . 1 . 2]" 2 565 1 83 GLU HA 1 83 GLU HG2 . . 4.130 3.884 3.750 3.977 . 0 0 "[ . 1 . 2]" 2 566 1 83 GLU HG3 1 84 VAL H . . 4.630 2.339 2.188 2.550 . 0 0 "[ . 1 . 2]" 2 567 1 83 GLU HA 1 83 GLU HG3 . . 4.130 3.613 3.565 3.728 . 0 0 "[ . 1 . 2]" 2 568 1 83 GLU HG3 1 84 VAL MG2 . . 4.140 2.087 1.936 2.274 . 0 0 "[ . 1 . 2]" 2 569 1 68 GLU H 1 68 GLU QG . . 3.860 3.177 1.853 3.756 . 0 0 "[ . 1 . 2]" 2 570 1 51 TYR H 1 68 GLU QG . . 4.380 3.517 2.093 4.383 0.003 4 0 "[ . 1 . 2]" 2 571 1 50 GLU HA 1 68 GLU QG . . 4.730 3.379 2.347 4.728 . 0 0 "[ . 1 . 2]" 2 572 1 67 ASP HA 1 68 GLU QG . . 5.500 4.956 3.190 5.576 0.076 13 0 "[ . 1 . 2]" 2 573 1 50 GLU QB 1 68 GLU QG . . 4.380 3.052 1.901 4.396 0.016 20 0 "[ . 1 . 2]" 2 574 1 52 VAL HA 1 68 GLU QG . . 5.500 5.319 3.358 5.526 0.026 19 0 "[ . 1 . 2]" 2 575 1 58 GLU H 1 58 GLU QG . . 4.000 2.880 2.070 4.019 0.019 15 0 "[ . 1 . 2]" 2 576 1 58 GLU HA 1 58 GLU QG . . 3.460 3.078 2.219 3.472 0.012 3 0 "[ . 1 . 2]" 2 577 1 20 GLU HG3 1 108 VAL H . . 4.920 4.139 3.888 4.740 . 0 0 "[ . 1 . 2]" 2 578 1 20 GLU HG3 1 21 ALA H . . 4.090 3.591 3.297 3.836 . 0 0 "[ . 1 . 2]" 2 579 1 20 GLU H 1 20 GLU HG3 . . 4.520 4.463 4.381 4.531 0.011 2 0 "[ . 1 . 2]" 2 580 1 20 GLU HG3 1 110 ASN HD22 . . 4.140 3.296 2.485 3.876 . 0 0 "[ . 1 . 2]" 2 581 1 20 GLU HG3 1 110 ASN HD21 . . 4.320 3.429 3.047 3.887 . 0 0 "[ . 1 . 2]" 2 582 1 20 GLU HG3 1 21 ALA HA . . 5.500 5.369 5.123 5.512 0.012 20 0 "[ . 1 . 2]" 2 583 1 20 GLU HG3 1 108 VAL HB . . 3.640 2.206 2.001 2.641 . 0 0 "[ . 1 . 2]" 2 584 1 20 GLU HG2 1 110 ASN HD21 . . 4.280 3.210 2.676 3.676 . 0 0 "[ . 1 . 2]" 2 585 1 20 GLU HG2 1 21 ALA H . . 4.060 3.721 3.293 4.068 0.008 19 0 "[ . 1 . 2]" 2 586 1 20 GLU H 1 20 GLU HG2 . . 4.820 4.637 4.537 4.694 . 0 0 "[ . 1 . 2]" 2 587 1 20 GLU HG2 1 110 ASN HD22 . . 4.010 3.388 2.446 3.964 . 0 0 "[ . 1 . 2]" 2 588 1 20 GLU HA 1 20 GLU HG2 . . 3.800 3.067 2.878 3.191 . 0 0 "[ . 1 . 2]" 2 589 1 20 GLU HG2 1 108 VAL MG1 . . 4.460 3.930 3.545 4.309 . 0 0 "[ . 1 . 2]" 2 590 1 114 GLU H 1 114 GLU QG . . 4.040 3.497 1.881 4.044 0.004 15 0 "[ . 1 . 2]" 2 591 1 24 ALA MB 1 114 GLU QG . . 4.380 3.596 2.140 4.353 . 0 0 "[ . 1 . 2]" 2 592 1 50 GLU QG 1 51 TYR H . . 4.460 3.715 2.973 4.375 . 0 0 "[ . 1 . 2]" 2 593 1 50 GLU QG 1 94 ARG H . . 4.820 3.710 1.970 4.662 . 0 0 "[ . 1 . 2]" 2 594 1 50 GLU H 1 50 GLU QG . . 4.040 2.989 1.967 3.939 . 0 0 "[ . 1 . 2]" 2 595 1 50 GLU QG 1 94 ARG HE . . 4.980 3.117 2.082 4.138 . 0 0 "[ . 1 . 2]" 2 596 1 50 GLU QG 1 68 GLU QG . . 4.090 3.097 2.020 4.095 0.005 14 0 "[ . 1 . 2]" 2 597 1 50 GLU QG 1 52 VAL MG1 . . 4.380 3.271 1.908 4.394 0.014 5 0 "[ . 1 . 2]" 2 598 1 110 ASN HA 1 111 ILE HB . . 4.870 4.645 4.564 4.767 . 0 0 "[ . 1 . 2]" 2 599 1 111 ILE H 1 111 ILE HB . . 3.500 2.541 2.473 2.647 . 0 0 "[ . 1 . 2]" 2 600 1 81 ARG QD 1 111 ILE HB . . 5.290 4.683 4.026 5.291 0.001 16 0 "[ . 1 . 2]" 2 601 1 50 GLU QG 1 68 GLU HA . . 5.500 4.769 3.737 5.516 0.016 9 0 "[ . 1 . 2]" 2 602 1 50 GLU QG 1 93 ALA HA . . 5.500 4.891 3.243 5.630 0.130 19 0 "[ . 1 . 2]" 2 603 1 25 GLU H 1 25 GLU HG2 . . 4.070 2.926 2.261 3.828 . 0 0 "[ . 1 . 2]" 2 604 1 25 GLU HA 1 25 GLU HG2 . . 4.250 3.987 3.674 4.243 . 0 0 "[ . 1 . 2]" 2 605 1 25 GLU HG2 1 111 ILE MG . . 4.440 3.614 3.274 4.394 . 0 0 "[ . 1 . 2]" 2 606 1 25 GLU H 1 25 GLU HG3 . . 4.070 3.052 2.106 3.714 . 0 0 "[ . 1 . 2]" 2 607 1 25 GLU HG3 1 113 ASP HA . . 4.550 3.480 2.629 4.305 . 0 0 "[ . 1 . 2]" 2 608 1 25 GLU HA 1 25 GLU HG3 . . 4.250 3.696 3.605 4.252 0.002 11 0 "[ . 1 . 2]" 2 609 1 25 GLU HG3 1 111 ILE MG . . 4.440 4.159 3.823 4.442 0.002 1 0 "[ . 1 . 2]" 2 610 1 91 VAL HB 1 92 MET H . . 3.450 3.006 2.690 3.226 . 0 0 "[ . 1 . 2]" 2 611 1 91 VAL H 1 91 VAL HB . . 4.180 3.782 3.741 3.853 . 0 0 "[ . 1 . 2]" 2 612 1 52 VAL H 1 91 VAL HB . . 4.920 4.453 3.742 4.785 . 0 0 "[ . 1 . 2]" 2 613 1 54 GLY H 1 91 VAL HB . . 5.330 4.231 4.016 4.645 . 0 0 "[ . 1 . 2]" 2 614 1 14 PHE QE 1 91 VAL HB . . 4.910 4.053 3.584 4.479 . 0 0 "[ . 1 . 2]" 2 615 1 14 PHE HZ 1 91 VAL HB . . 4.110 3.269 2.754 3.859 . 0 0 "[ . 1 . 2]" 2 616 1 66 LEU MD1 1 91 VAL HB . . 5.200 4.104 3.573 4.601 . 0 0 "[ . 1 . 2]" 2 617 1 66 LEU MD2 1 91 VAL HB . . 5.200 3.286 2.770 5.014 . 0 0 "[ . 1 . 2]" 2 618 1 36 LEU MD2 1 91 VAL HB . . 4.500 3.539 2.127 4.424 . 0 0 "[ . 1 . 2]" 2 619 1 25 GLU HG2 1 113 ASP HA . . 4.550 2.610 2.022 4.118 . 0 0 "[ . 1 . 2]" 2 620 1 86 GLN HG3 1 87 LEU H . . 3.880 3.344 2.645 3.867 . 0 0 "[ . 1 . 2]" 2 621 1 86 GLN HE22 1 86 GLN HG3 . . 3.940 3.635 3.441 3.933 . 0 0 "[ . 1 . 2]" 2 622 1 86 GLN HA 1 86 GLN HG3 . . 3.630 2.579 2.285 2.836 . 0 0 "[ . 1 . 2]" 2 623 1 86 GLN HG3 1 110 ASN HA . . 4.040 2.777 2.238 3.119 . 0 0 "[ . 1 . 2]" 2 624 1 86 GLN HG3 1 108 VAL MG1 . . 3.580 3.157 2.628 3.572 . 0 0 "[ . 1 . 2]" 2 625 1 86 GLN H 1 86 GLN HG2 . . 4.870 4.544 4.381 4.781 . 0 0 "[ . 1 . 2]" 2 626 1 86 GLN HA 1 86 GLN HG2 . . 3.870 3.155 2.937 3.390 . 0 0 "[ . 1 . 2]" 2 627 1 86 GLN HG2 1 110 ASN HA . . 4.990 4.458 3.900 4.782 . 0 0 "[ . 1 . 2]" 2 628 1 86 GLN HG2 1 108 VAL MG1 . . 3.760 3.317 2.981 3.634 . 0 0 "[ . 1 . 2]" 2 629 1 91 VAL HB 1 105 ALA H . . 5.200 4.928 4.617 5.135 . 0 0 "[ . 1 . 2]" 2 630 1 65 ARG HB3 1 74 SER HB3 . . 5.500 5.374 5.111 5.506 0.006 20 0 "[ . 1 . 2]" 2 631 1 73 LEU HB3 1 74 SER HB3 . . 5.500 5.453 5.336 5.522 0.022 18 0 "[ . 1 . 2]" 2 632 1 33 ILE H 1 74 SER HB3 . . 4.610 3.270 2.915 3.541 . 0 0 "[ . 1 . 2]" 2 633 1 33 ILE H 1 74 SER HB2 . . 4.840 3.686 3.306 3.946 . 0 0 "[ . 1 . 2]" 2 634 1 17 SER QB 1 18 VAL HB . . 4.730 4.028 3.905 4.169 . 0 0 "[ . 1 . 2]" 2 635 1 16 LYS HB3 1 19 TYR QD . . 5.050 4.106 3.803 4.711 . 0 0 "[ . 1 . 2]" 2 636 1 16 LYS HB3 1 19 TYR QE . . 5.420 4.431 4.096 5.080 . 0 0 "[ . 1 . 2]" 2 637 1 60 VAL HA 1 64 LEU HG . . 4.220 3.950 3.719 4.223 0.003 15 0 "[ . 1 . 2]" 2 638 1 60 VAL HA 1 60 VAL MG1 . . 3.260 2.463 2.398 2.547 . 0 0 "[ . 1 . 2]" 2 639 1 60 VAL HA 1 63 LEU H . . 4.420 3.351 2.855 3.746 . 0 0 "[ . 1 . 2]" 2 640 1 60 VAL HA 1 64 LEU MD1 . . 4.160 3.016 2.726 3.526 . 0 0 "[ . 1 . 2]" 2 641 1 94 ARG HB2 1 95 ASP H . . 4.490 3.417 2.333 4.073 . 0 0 "[ . 1 . 2]" 2 642 1 94 ARG HB3 1 95 ASP H . . 4.490 2.980 2.307 3.769 . 0 0 "[ . 1 . 2]" 2 643 1 16 LYS HB2 1 19 TYR QD . . 5.050 2.750 2.624 3.069 . 0 0 "[ . 1 . 2]" 2 644 1 16 LYS H 1 16 LYS HB3 . . 4.160 3.784 3.699 3.925 . 0 0 "[ . 1 . 2]" 2 645 1 25 GLU H 1 112 LYS HB3 . . 5.380 4.893 4.674 5.220 . 0 0 "[ . 1 . 2]" 2 646 1 112 LYS HB3 1 114 GLU H . . 5.500 5.072 4.398 5.473 . 0 0 "[ . 1 . 2]" 2 647 1 112 LYS H 1 112 LYS HB3 . . 4.090 3.616 3.583 3.684 . 0 0 "[ . 1 . 2]" 2 648 1 24 ALA HA 1 112 LYS HB3 . . 4.240 4.035 3.751 4.245 0.005 11 0 "[ . 1 . 2]" 2 649 1 25 GLU H 1 112 LYS HB2 . . 4.540 3.723 3.493 4.186 . 0 0 "[ . 1 . 2]" 2 650 1 23 LEU H 1 112 LYS HB2 . . 5.240 4.822 4.177 5.207 . 0 0 "[ . 1 . 2]" 2 651 1 112 LYS H 1 112 LYS HB2 . . 3.700 2.447 2.391 2.526 . 0 0 "[ . 1 . 2]" 2 652 1 84 VAL H 1 84 VAL HB . . 3.960 3.880 3.830 3.946 . 0 0 "[ . 1 . 2]" 2 653 1 84 VAL HB 1 87 LEU HG . . 4.660 3.248 2.825 4.030 . 0 0 "[ . 1 . 2]" 2 654 1 108 VAL HB 1 109 LEU H . . 4.920 4.314 4.186 4.453 . 0 0 "[ . 1 . 2]" 2 655 1 48 GLN HA 1 48 GLN HG2 . . 3.830 2.706 2.191 3.738 . 0 0 "[ . 1 . 2]" 2 656 1 21 ALA H 1 108 VAL HB . . 4.740 4.211 3.776 4.585 . 0 0 "[ . 1 . 2]" 2 657 1 20 GLU HA 1 108 VAL HB . . 3.720 2.762 2.524 3.103 . 0 0 "[ . 1 . 2]" 2 658 1 48 GLN H 1 48 GLN HG2 . . 4.060 3.348 2.001 4.104 0.044 14 0 "[ . 1 . 2]" 2 659 1 48 GLN H 1 48 GLN HG3 . . 4.060 3.177 2.207 4.103 0.043 11 0 "[ . 1 . 2]" 2 660 1 48 GLN HA 1 48 GLN HG3 . . 3.830 3.320 2.438 3.830 0.000 11 0 "[ . 1 . 2]" 2 661 1 77 HIS HB3 1 78 ARG H . . 4.030 2.748 2.158 3.160 . 0 0 "[ . 1 . 2]" 2 662 1 63 LEU HA 1 77 HIS HB3 . . 3.870 3.756 3.477 3.871 0.001 4 0 "[ . 1 . 2]" 2 663 1 77 HIS HB2 1 78 ARG H . . 4.380 4.022 3.618 4.277 . 0 0 "[ . 1 . 2]" 2 664 1 76 LEU HG 1 77 HIS HB2 . . 4.880 4.418 3.928 4.771 . 0 0 "[ . 1 . 2]" 2 665 1 12 PRO HD2 1 101 LYS HB2 . . 4.960 3.000 2.093 3.859 . 0 0 "[ . 1 . 2]" 2 666 1 12 PRO HD2 1 101 LYS HB3 . . 4.960 2.244 1.995 2.795 . 0 0 "[ . 1 . 2]" 2 667 1 98 GLN H 1 98 GLN QG . . 3.760 2.762 2.032 3.749 . 0 0 "[ . 1 . 2]" 2 668 1 98 GLN HA 1 98 GLN QG . . 3.540 3.017 2.232 3.523 . 0 0 "[ . 1 . 2]" 2 669 1 98 GLN QG 1 100 PRO HD3 . . 5.500 4.141 2.119 5.398 . 0 0 "[ . 1 . 2]" 2 670 1 98 GLN QG 1 99 PRO QD . . 4.890 4.540 3.981 4.954 0.064 11 0 "[ . 1 . 2]" 2 671 1 37 ARG HB2 1 38 ALA H . . 4.840 4.029 3.443 4.340 . 0 0 "[ . 1 . 2]" 2 672 1 37 ARG HB3 1 38 ALA H . . 4.840 3.061 2.183 4.477 . 0 0 "[ . 1 . 2]" 2 673 1 86 GLN HB3 1 87 LEU H . . 4.500 4.270 3.701 4.422 . 0 0 "[ . 1 . 2]" 2 674 1 88 ARG HB3 1 88 ARG QD . . 3.720 2.598 2.194 2.895 . 0 0 "[ . 1 . 2]" 2 675 1 50 GLU QB 1 52 VAL MG2 . . 5.040 4.142 3.188 4.810 . 0 0 "[ . 1 . 2]" 2 676 1 88 ARG HB3 1 108 VAL MG2 . . 5.500 4.849 4.020 5.468 . 0 0 "[ . 1 . 2]" 2 677 1 65 ARG HB3 1 76 LEU HB2 . . 4.270 3.179 2.644 3.583 . 0 0 "[ . 1 . 2]" 2 678 1 88 ARG HB2 1 88 ARG QD . . 3.770 2.739 2.359 3.510 . 0 0 "[ . 1 . 2]" 2 679 1 86 GLN HG2 1 88 ARG HB2 . . 4.480 3.823 3.481 4.470 . 0 0 "[ . 1 . 2]" 2 680 1 88 ARG HB2 1 106 THR MG . . 5.270 5.037 4.459 5.274 0.004 13 0 "[ . 1 . 2]" 2 681 1 88 ARG HB2 1 108 VAL MG1 . . 5.150 4.504 4.000 5.106 . 0 0 "[ . 1 . 2]" 2 682 1 88 ARG HB2 1 108 VAL MG2 . . 5.500 4.436 3.956 4.841 . 0 0 "[ . 1 . 2]" 2 683 1 65 ARG HB2 1 76 LEU MD1 . . 3.980 1.989 1.879 2.097 . 0 0 "[ . 1 . 2]" 2 684 1 86 GLN HB2 1 87 LEU H . . 4.500 4.302 4.116 4.444 . 0 0 "[ . 1 . 2]" 2 685 1 50 GLU H 1 50 GLU QB . . 3.610 2.418 2.143 3.013 . 0 0 "[ . 1 . 2]" 2 686 1 50 GLU QB 1 94 ARG HE . . 4.590 3.350 2.301 4.623 0.033 9 0 "[ . 1 . 2]" 2 687 1 64 LEU HA 1 65 ARG HB3 . . 5.440 4.649 4.345 4.903 . 0 0 "[ . 1 . 2]" 2 688 1 50 GLU QB 1 68 GLU HA . . 5.500 4.361 3.491 5.289 . 0 0 "[ . 1 . 2]" 2 689 1 50 GLU QB 1 93 ALA HA . . 5.500 4.383 3.516 5.506 0.006 14 0 "[ . 1 . 2]" 2 690 1 49 ILE HA 1 50 GLU QB . . 4.690 4.287 4.007 4.631 . 0 0 "[ . 1 . 2]" 2 691 1 50 GLU QB 1 51 TYR H . . 3.960 3.064 1.996 3.969 0.009 10 0 "[ . 1 . 2]" 2 692 1 65 ARG HB3 1 76 LEU MD1 . . 4.260 3.051 2.659 3.352 . 0 0 "[ . 1 . 2]" 2 693 1 49 ILE MG 1 50 GLU QB . . 4.870 3.948 3.261 4.791 . 0 0 "[ . 1 . 2]" 2 694 1 65 ARG HB3 1 74 SER H . . 4.560 3.927 3.588 4.282 . 0 0 "[ . 1 . 2]" 2 695 1 65 ARG HB2 1 66 LEU H . . 4.840 4.204 4.014 4.345 . 0 0 "[ . 1 . 2]" 2 696 1 98 GLN HA 1 99 PRO HB2 . . 4.530 4.264 4.245 4.368 . 0 0 "[ . 1 . 2]" 2 697 1 99 PRO HB2 1 100 PRO HD3 . . 4.560 4.224 3.942 4.346 . 0 0 "[ . 1 . 2]" 2 698 1 99 PRO HB3 1 100 PRO HD3 . . 4.560 4.286 4.072 4.380 . 0 0 "[ . 1 . 2]" 2 699 1 99 PRO HB3 1 100 PRO HD2 . . 3.650 3.233 3.002 3.341 . 0 0 "[ . 1 . 2]" 2 700 1 30 GLY H 1 75 VAL HB . . 4.090 2.906 1.893 3.657 . 0 0 "[ . 1 . 2]" 2 701 1 75 VAL H 1 75 VAL HB . . 3.510 2.539 2.462 2.606 . 0 0 "[ . 1 . 2]" 2 702 1 31 THR HG1 1 75 VAL HB . . 4.640 4.111 3.606 4.628 . 0 0 "[ . 1 . 2]" 2 703 1 70 SER HB3 1 72 TRP HD1 . . 3.970 3.758 3.268 3.991 0.021 14 0 "[ . 1 . 2]" 2 704 1 98 GLN HA 1 99 PRO HB3 . . 4.530 4.148 4.099 4.180 . 0 0 "[ . 1 . 2]" 2 705 1 23 LEU MD2 1 75 VAL HB . . 5.190 4.782 4.086 5.206 0.016 14 0 "[ . 1 . 2]" 2 706 1 75 VAL HB 1 79 ILE MD . . 5.370 3.982 3.672 4.435 . 0 0 "[ . 1 . 2]" 2 707 1 45 VAL HB 1 46 ASN H . . 4.290 3.774 1.900 4.498 0.208 10 0 "[ . 1 . 2]" 2 708 1 45 VAL H 1 45 VAL HB . . 3.710 2.970 2.355 3.912 0.202 10 0 "[ . 1 . 2]" 2 709 1 32 PRO HB3 1 33 ILE H . . 4.510 3.914 3.579 4.138 . 0 0 "[ . 1 . 2]" 2 710 1 32 PRO HB3 1 72 TRP HE3 . . 4.450 4.026 3.626 4.379 . 0 0 "[ . 1 . 2]" 2 711 1 32 PRO HB3 1 72 TRP HZ3 . . 4.380 4.012 3.663 4.345 . 0 0 "[ . 1 . 2]" 2 712 1 32 PRO HB3 1 74 SER HB3 . . 4.830 3.621 3.229 4.085 . 0 0 "[ . 1 . 2]" 2 713 1 32 PRO HB2 1 72 TRP HE3 . . 4.250 3.941 3.463 4.256 0.006 16 0 "[ . 1 . 2]" 2 714 1 20 GLU HB2 1 21 ALA H . . 4.760 4.518 4.446 4.581 . 0 0 "[ . 1 . 2]" 2 715 1 20 GLU HB3 1 21 ALA H . . 4.210 4.194 4.051 4.276 0.066 20 0 "[ . 1 . 2]" 2 716 1 20 GLU H 1 20 GLU HB3 . . 3.600 2.783 2.686 2.846 . 0 0 "[ . 1 . 2]" 2 717 1 20 GLU HB3 1 21 ALA MB . . 5.430 5.138 5.000 5.233 . 0 0 "[ . 1 . 2]" 2 718 1 13 ARG HB2 1 14 PHE H . . 5.000 4.296 3.904 4.558 . 0 0 "[ . 1 . 2]" 2 719 1 32 PRO HB2 1 72 TRP HZ3 . . 4.130 3.107 2.764 3.424 . 0 0 "[ . 1 . 2]" 2 720 1 13 ARG HB3 1 14 PHE H . . 5.000 3.741 2.844 4.328 . 0 0 "[ . 1 . 2]" 2 721 1 27 SER HB2 1 31 THR HG1 . . 5.070 4.080 2.143 4.972 . 0 0 "[ . 1 . 2]" 2 722 1 27 SER HB2 1 79 ILE MD . . 4.730 2.973 2.035 4.607 . 0 0 "[ . 1 . 2]" 2 723 1 27 SER HB3 1 31 THR HG1 . . 5.070 3.302 2.221 4.835 . 0 0 "[ . 1 . 2]" 2 724 1 27 SER H 1 27 SER HB3 . . 3.760 3.351 2.486 3.634 . 0 0 "[ . 1 . 2]" 2 725 1 24 ALA MB 1 27 SER HB3 . . 4.930 3.829 1.999 4.809 . 0 0 "[ . 1 . 2]" 2 726 1 27 SER HB3 1 79 ILE MD . . 4.730 3.621 2.890 4.437 . 0 0 "[ . 1 . 2]" 2 727 1 89 PHE QD 1 107 VAL HB . . 4.550 3.174 2.887 3.467 . 0 0 "[ . 1 . 2]" 2 728 1 89 PHE HZ 1 107 VAL HB . . 5.080 3.399 2.929 3.888 . 0 0 "[ . 1 . 2]" 2 729 1 91 VAL MG1 1 107 VAL HB . . 5.490 3.775 3.510 4.022 . 0 0 "[ . 1 . 2]" 2 730 1 107 VAL HB 1 109 LEU MD2 . . 4.850 4.588 4.273 4.807 . 0 0 "[ . 1 . 2]" 2 731 1 91 VAL MG2 1 107 VAL HB . . 4.730 4.523 4.222 4.735 0.005 17 0 "[ . 1 . 2]" 2 732 1 89 PHE QE 1 107 VAL HB . . 4.330 2.735 2.503 3.158 . 0 0 "[ . 1 . 2]" 2 733 1 75 VAL HA 1 76 LEU H . . 3.090 2.259 2.218 2.329 . 0 0 "[ . 1 . 2]" 2 734 1 75 VAL HA 1 77 HIS H . . 4.130 4.106 3.973 4.166 0.036 19 0 "[ . 1 . 2]" 2 735 1 64 LEU HA 1 75 VAL HA . . 3.730 2.497 2.096 2.843 . 0 0 "[ . 1 . 2]" 2 736 1 33 ILE HG12 1 75 VAL HA . . 5.500 5.135 4.782 5.443 . 0 0 "[ . 1 . 2]" 2 737 1 65 ARG HB3 1 75 VAL HA . . 5.500 5.113 4.674 5.392 . 0 0 "[ . 1 . 2]" 2 738 1 75 VAL HA 1 76 LEU HB3 . . 4.690 4.651 4.537 4.719 0.029 20 0 "[ . 1 . 2]" 2 739 1 75 VAL HA 1 76 LEU HB2 . . 4.520 4.311 4.236 4.434 . 0 0 "[ . 1 . 2]" 2 740 1 75 VAL HA 1 75 VAL MG2 . . 3.230 2.380 2.246 2.470 . 0 0 "[ . 1 . 2]" 2 741 1 75 VAL HA 1 79 ILE MD . . 4.290 3.886 3.525 4.283 . 0 0 "[ . 1 . 2]" 2 742 1 28 ALA MB 1 29 PRO HA . . 5.500 4.336 4.305 4.389 . 0 0 "[ . 1 . 2]" 2 743 1 35 GLN HG2 1 36 LEU H . . 4.590 3.826 3.157 4.582 . 0 0 "[ . 1 . 2]" 2 744 1 35 GLN HG2 1 72 TRP HA . . 5.130 4.502 3.581 5.136 0.006 7 0 "[ . 1 . 2]" 2 745 1 35 GLN HG3 1 36 LEU H . . 4.590 3.247 2.233 3.876 . 0 0 "[ . 1 . 2]" 2 746 1 64 LEU HG 1 75 VAL HA . . 5.240 4.178 3.952 4.463 . 0 0 "[ . 1 . 2]" 2 747 1 29 PRO HA 1 31 THR H . . 4.890 4.186 3.796 4.557 . 0 0 "[ . 1 . 2]" 2 748 1 28 ALA HA 1 29 PRO HA . . 4.790 4.388 4.387 4.389 . 0 0 "[ . 1 . 2]" 2 749 1 29 PRO HA 1 75 VAL HB . . 3.950 3.261 2.818 3.777 . 0 0 "[ . 1 . 2]" 2 750 1 12 PRO HB2 1 13 ARG H . . 4.530 3.730 3.279 4.184 . 0 0 "[ . 1 . 2]" 2 751 1 92 MET H 1 92 MET HG3 . . 4.180 3.417 3.246 3.573 . 0 0 "[ . 1 . 2]" 2 752 1 54 GLY H 1 92 MET HG3 . . 4.720 3.760 3.264 4.059 . 0 0 "[ . 1 . 2]" 2 753 1 92 MET HG3 1 93 ALA H . . 5.010 4.763 4.654 5.022 0.012 11 0 "[ . 1 . 2]" 2 754 1 92 MET HA 1 92 MET HG3 . . 4.020 3.080 2.997 3.193 . 0 0 "[ . 1 . 2]" 2 755 1 92 MET HG3 1 104 LYS QD . . 4.730 4.243 3.600 4.670 . 0 0 "[ . 1 . 2]" 2 756 1 92 MET HG3 1 104 LYS HG3 . . 4.740 3.116 2.700 3.532 . 0 0 "[ . 1 . 2]" 2 757 1 92 MET HG3 1 102 THR MG . . 5.190 4.956 4.615 5.193 0.003 7 0 "[ . 1 . 2]" 2 758 1 54 GLY HA2 1 92 MET HG3 . . 4.190 2.423 2.095 2.602 . 0 0 "[ . 1 . 2]" 2 759 1 54 GLY HA3 1 92 MET HG3 . . 4.290 2.102 1.985 2.528 . 0 0 "[ . 1 . 2]" 2 760 1 100 PRO HB3 1 101 LYS H . . 4.500 4.149 3.770 4.499 . 0 0 "[ . 1 . 2]" 2 761 1 95 ASP H 1 100 PRO HB3 . . 4.730 3.674 2.716 4.729 . 0 0 "[ . 1 . 2]" 2 762 1 94 ARG HD2 1 100 PRO HB3 . . 4.900 4.292 3.130 4.901 0.001 10 0 "[ . 1 . 2]" 2 763 1 100 PRO HB3 1 102 THR MG . . 4.870 4.626 3.917 4.886 0.016 19 0 "[ . 1 . 2]" 2 764 1 92 MET H 1 92 MET HG2 . . 4.170 4.036 3.834 4.143 . 0 0 "[ . 1 . 2]" 2 765 1 92 MET HG2 1 93 ALA H . . 4.420 3.532 3.402 3.832 . 0 0 "[ . 1 . 2]" 2 766 1 92 MET HA 1 92 MET HG2 . . 3.730 2.194 2.155 2.250 . 0 0 "[ . 1 . 2]" 2 767 1 92 MET HG2 1 102 THR HB . . 4.410 3.019 2.799 3.150 . 0 0 "[ . 1 . 2]" 2 768 1 54 GLY HA3 1 92 MET HG2 . . 4.460 3.652 3.388 4.102 . 0 0 "[ . 1 . 2]" 2 769 1 92 MET HG2 1 104 LYS QD . . 4.340 4.175 3.804 4.343 0.003 1 0 "[ . 1 . 2]" 2 770 1 92 MET HG2 1 104 LYS HG3 . . 4.830 2.236 1.994 2.462 . 0 0 "[ . 1 . 2]" 2 771 1 52 VAL MG2 1 92 MET HG2 . . 4.790 4.685 4.549 4.816 0.026 20 0 "[ . 1 . 2]" 2 772 1 12 PRO HB2 1 38 ALA MB . . 4.210 3.627 3.032 4.196 . 0 0 "[ . 1 . 2]" 2 773 1 12 PRO HB2 1 93 ALA MB . . 3.960 2.530 2.262 2.780 . 0 0 "[ . 1 . 2]" 2 774 1 100 PRO HB2 1 101 LYS H . . 4.230 3.739 3.176 4.196 . 0 0 "[ . 1 . 2]" 2 775 1 97 GLY H 1 100 PRO HB2 . . 5.370 4.660 4.208 4.926 . 0 0 "[ . 1 . 2]" 2 776 1 95 ASP H 1 100 PRO HB2 . . 4.460 3.075 2.171 4.061 . 0 0 "[ . 1 . 2]" 2 777 1 94 ARG HD2 1 100 PRO HB2 . . 4.780 3.532 2.775 4.375 . 0 0 "[ . 1 . 2]" 2 778 1 12 PRO HB3 1 13 ARG H . . 4.530 4.145 3.835 4.488 . 0 0 "[ . 1 . 2]" 2 779 1 12 PRO HB3 1 38 ALA MB . . 4.210 3.847 3.430 4.191 . 0 0 "[ . 1 . 2]" 2 780 1 12 PRO HB3 1 93 ALA MB . . 3.960 3.670 3.084 3.968 0.008 11 0 "[ . 1 . 2]" 2 781 1 92 MET HG3 1 105 ALA H . . 5.500 5.355 4.785 5.496 . 0 0 "[ . 1 . 2]" 2 782 1 92 MET HG3 1 104 LYS HG2 . . 4.740 2.947 2.503 3.287 . 0 0 "[ . 1 . 2]" 2 783 1 52 VAL MG2 1 92 MET HG3 . . 4.210 4.069 3.841 4.219 0.009 20 0 "[ . 1 . 2]" 2 784 1 54 GLY H 1 92 MET HG2 . . 5.500 5.123 4.752 5.481 . 0 0 "[ . 1 . 2]" 2 785 1 92 MET HG2 1 103 ASP H . . 5.340 4.452 3.842 4.967 . 0 0 "[ . 1 . 2]" 2 786 1 92 MET HG2 1 105 ALA H . . 5.500 4.932 4.466 5.248 . 0 0 "[ . 1 . 2]" 2 787 1 54 GLY HA2 1 92 MET HG2 . . 4.310 4.165 3.848 4.314 0.004 10 0 "[ . 1 . 2]" 2 788 1 57 THR H 1 60 VAL HB . . 4.440 2.581 2.123 3.336 . 0 0 "[ . 1 . 2]" 2 789 1 57 THR HB 1 60 VAL HB . . 5.260 4.934 4.572 5.252 . 0 0 "[ . 1 . 2]" 2 790 1 29 PRO HB2 1 30 GLY H . . 4.260 4.103 3.994 4.255 . 0 0 "[ . 1 . 2]" 2 791 1 29 PRO HB2 1 77 HIS HA . . 4.860 3.180 2.824 3.640 . 0 0 "[ . 1 . 2]" 2 792 1 29 PRO HB2 1 75 VAL MG1 . . 4.580 4.259 3.915 4.514 . 0 0 "[ . 1 . 2]" 2 793 1 29 PRO HB3 1 77 HIS HA . . 4.910 2.190 1.994 2.458 . 0 0 "[ . 1 . 2]" 2 794 1 100 PRO HA 1 101 LYS H . . 3.110 2.181 2.149 2.346 . 0 0 "[ . 1 . 2]" 2 795 1 97 GLY H 1 100 PRO HA . . 3.670 3.460 2.862 3.680 0.010 11 0 "[ . 1 . 2]" 2 796 1 98 GLN H 1 100 PRO HA . . 4.620 4.512 3.987 4.646 0.026 11 0 "[ . 1 . 2]" 2 797 1 100 PRO HA 1 102 THR MG . . 5.150 4.816 4.252 5.047 . 0 0 "[ . 1 . 2]" 2 798 1 62 ARG QB 1 63 LEU HA . . 4.750 4.547 4.419 4.738 . 0 0 "[ . 1 . 2]" 2 799 1 62 ARG H 1 62 ARG QB . . 3.120 2.475 2.253 2.663 . 0 0 "[ . 1 . 2]" 2 800 1 62 ARG QB 1 63 LEU H . . 3.860 3.529 3.374 3.668 . 0 0 "[ . 1 . 2]" 2 801 1 62 ARG QB 1 77 HIS HD2 . . 4.510 3.211 2.703 3.900 . 0 0 "[ . 1 . 2]" 2 802 1 62 ARG QB 1 76 LEU MD2 . . 3.910 3.688 3.315 3.884 . 0 0 "[ . 1 . 2]" 2 803 1 12 PRO HA 1 13 ARG H . . 2.970 2.192 2.151 2.334 . 0 0 "[ . 1 . 2]" 2 804 1 12 PRO HA 1 38 ALA MB . . 4.060 3.570 3.078 4.032 . 0 0 "[ . 1 . 2]" 2 805 1 12 PRO HA 1 49 ILE MD . . 4.150 3.520 3.041 3.950 . 0 0 "[ . 1 . 2]" 2 806 1 12 PRO HA 1 93 ALA MB . . 5.010 4.761 4.433 4.970 . 0 0 "[ . 1 . 2]" 2 807 1 33 ILE HA 1 33 ILE HG12 . . 3.690 2.701 2.550 2.816 . 0 0 "[ . 1 . 2]" 2 808 1 11 SER HB2 1 12 PRO HA . . 5.500 5.341 4.635 5.561 0.061 13 0 "[ . 1 . 2]" 2 809 1 11 SER HB3 1 12 PRO HA . . 5.500 4.998 4.751 5.736 0.236 16 0 "[ . 1 . 2]" 2 810 1 31 THR HA 1 31 THR HG1 . . 4.070 3.308 3.004 3.552 . 0 0 "[ . 1 . 2]" 2 811 1 31 THR HA 1 32 PRO HD2 . . 2.990 2.078 1.979 2.168 . 0 0 "[ . 1 . 2]" 2 812 1 83 GLU H 1 83 GLU HB2 . . 3.700 3.572 3.536 3.605 . 0 0 "[ . 1 . 2]" 2 813 1 80 ASP HB3 1 83 GLU HB2 . . 4.730 4.278 4.017 4.522 . 0 0 "[ . 1 . 2]" 2 814 1 83 GLU HB2 1 84 VAL MG1 . . 3.780 3.281 3.134 3.496 . 0 0 "[ . 1 . 2]" 2 815 1 83 GLU HB2 1 84 VAL H . . 4.080 3.968 3.772 4.082 0.002 1 0 "[ . 1 . 2]" 2 816 1 83 GLU H 1 83 GLU HB3 . . 3.540 2.371 2.262 2.468 . 0 0 "[ . 1 . 2]" 2 817 1 83 GLU HB3 1 84 VAL H . . 3.970 3.850 3.708 3.966 . 0 0 "[ . 1 . 2]" 2 818 1 83 GLU HB3 1 84 VAL MG1 . . 4.820 4.339 4.207 4.501 . 0 0 "[ . 1 . 2]" 2 819 1 83 GLU HB3 1 84 VAL MG2 . . 5.230 4.488 4.277 4.586 . 0 0 "[ . 1 . 2]" 2 820 1 78 ARG QB 1 79 ILE H . . 4.610 2.782 2.341 3.094 . 0 0 "[ . 1 . 2]" 2 821 1 78 ARG H 1 78 ARG QB . . 3.400 2.441 2.146 2.648 . 0 0 "[ . 1 . 2]" 2 822 1 77 HIS HA 1 78 ARG QB . . 4.870 4.545 4.189 4.692 . 0 0 "[ . 1 . 2]" 2 823 1 15 GLU H 1 15 GLU HB2 . . 3.910 2.497 2.206 2.773 . 0 0 "[ . 1 . 2]" 2 824 1 15 GLU HB2 1 16 LYS H . . 4.210 2.527 2.230 2.642 . 0 0 "[ . 1 . 2]" 2 825 1 15 GLU H 1 15 GLU HB3 . . 3.910 3.585 3.506 3.624 . 0 0 "[ . 1 . 2]" 2 826 1 15 GLU HB3 1 16 LYS H . . 4.210 3.525 3.020 3.739 . 0 0 "[ . 1 . 2]" 2 827 1 98 GLN H 1 98 GLN HB2 . . 3.940 3.491 2.594 3.907 . 0 0 "[ . 1 . 2]" 2 828 1 32 PRO HA 1 33 ILE H . . 3.100 2.186 2.151 2.313 . 0 0 "[ . 1 . 2]" 2 829 1 32 PRO HA 1 75 VAL H . . 4.430 3.778 3.333 4.265 . 0 0 "[ . 1 . 2]" 2 830 1 32 PRO HA 1 34 LEU H . . 4.820 4.571 4.402 4.738 . 0 0 "[ . 1 . 2]" 2 831 1 32 PRO HA 1 72 TRP HE3 . . 4.580 4.436 3.945 4.595 0.015 14 0 "[ . 1 . 2]" 2 832 1 32 PRO HA 1 74 SER HA . . 3.470 2.635 2.222 2.991 . 0 0 "[ . 1 . 2]" 2 833 1 32 PRO HA 1 74 SER HB3 . . 3.620 2.273 2.059 2.541 . 0 0 "[ . 1 . 2]" 2 834 1 32 PRO HA 1 74 SER HB2 . . 3.890 2.335 1.992 2.724 . 0 0 "[ . 1 . 2]" 2 835 1 32 PRO HA 1 33 ILE HB . . 4.800 4.646 4.575 4.694 . 0 0 "[ . 1 . 2]" 2 836 1 31 THR MG 1 32 PRO HA . . 4.660 4.078 3.931 4.319 . 0 0 "[ . 1 . 2]" 2 837 1 32 PRO HA 1 33 ILE HG13 . . 4.520 3.673 3.408 3.850 . 0 0 "[ . 1 . 2]" 2 838 1 32 PRO HA 1 33 ILE MD . . 4.890 4.731 4.415 4.876 . 0 0 "[ . 1 . 2]" 2 839 1 45 VAL HA 1 46 ASN H . . 3.380 2.373 2.141 3.414 0.034 18 0 "[ . 1 . 2]" 2 840 1 45 VAL HA 1 45 VAL MG1 . . 3.430 2.766 2.122 3.203 . 0 0 "[ . 1 . 2]" 2 841 1 59 SER QB 1 60 VAL HA . . 4.650 4.055 3.667 4.669 0.019 6 0 "[ . 1 . 2]" 2 842 1 59 SER H 1 59 SER QB . . 3.720 2.357 2.141 2.609 . 0 0 "[ . 1 . 2]" 2 843 1 68 GLU H 1 68 GLU HB2 . . 3.850 3.531 2.973 3.848 . 0 0 "[ . 1 . 2]" 2 844 1 51 TYR H 1 68 GLU HB2 . . 4.510 2.611 1.912 3.741 . 0 0 "[ . 1 . 2]" 2 845 1 68 GLU HB2 1 69 THR H . . 4.570 3.993 2.796 4.346 . 0 0 "[ . 1 . 2]" 2 846 1 67 ASP HA 1 68 GLU HB2 . . 5.500 5.365 4.911 5.639 0.139 12 0 "[ . 1 . 2]" 2 847 1 50 GLU QB 1 68 GLU HB2 . . 4.410 3.119 2.169 4.305 . 0 0 "[ . 1 . 2]" 2 848 1 52 VAL MG1 1 68 GLU HB2 . . 4.630 2.929 2.068 4.179 . 0 0 "[ . 1 . 2]" 2 849 1 68 GLU H 1 68 GLU HB3 . . 3.850 2.717 2.154 3.816 . 0 0 "[ . 1 . 2]" 2 850 1 51 TYR H 1 68 GLU HB3 . . 4.510 3.578 2.233 4.501 . 0 0 "[ . 1 . 2]" 2 851 1 68 GLU HB3 1 69 THR H . . 4.570 3.629 2.755 4.091 . 0 0 "[ . 1 . 2]" 2 852 1 67 ASP HA 1 68 GLU HB3 . . 5.500 4.317 4.072 5.510 0.010 2 0 "[ . 1 . 2]" 2 853 1 50 GLU QB 1 68 GLU HB3 . . 4.410 4.174 2.859 4.434 0.024 15 0 "[ . 1 . 2]" 2 854 1 52 VAL MG1 1 68 GLU HB3 . . 4.630 3.069 2.293 3.969 . 0 0 "[ . 1 . 2]" 2 855 1 24 ALA MB 1 114 GLU HB2 . . 4.500 3.142 2.108 4.486 . 0 0 "[ . 1 . 2]" 2 856 1 114 GLU H 1 114 GLU HB2 . . 3.590 2.839 2.524 3.587 . 0 0 "[ . 1 . 2]" 2 857 1 81 ARG H 1 81 ARG HB2 . . 3.710 2.402 2.234 2.814 . 0 0 "[ . 1 . 2]" 2 858 1 81 ARG HB2 1 82 GLU H . . 4.600 3.874 3.616 4.076 . 0 0 "[ . 1 . 2]" 2 859 1 81 ARG HB2 1 111 ILE MG . . 4.250 2.472 1.998 3.013 . 0 0 "[ . 1 . 2]" 2 860 1 81 ARG HB3 1 82 GLU H . . 4.600 2.758 2.479 2.914 . 0 0 "[ . 1 . 2]" 2 861 1 81 ARG HB3 1 111 ILE MG . . 4.250 3.659 3.298 4.040 . 0 0 "[ . 1 . 2]" 2 862 1 61 ARG H 1 61 ARG HB2 . . 4.170 3.159 2.211 3.631 . 0 0 "[ . 1 . 2]" 2 863 1 82 GLU H 1 82 GLU HB2 . . 3.740 2.346 2.180 2.831 . 0 0 "[ . 1 . 2]" 2 864 1 82 GLU H 1 82 GLU HB3 . . 3.740 3.064 2.273 3.586 . 0 0 "[ . 1 . 2]" 2 865 1 82 GLU HB3 1 83 GLU H . . 4.040 2.619 2.000 3.559 . 0 0 "[ . 1 . 2]" 2 866 1 90 THR HB 1 104 LYS QD . . 4.440 4.125 3.387 4.448 0.008 20 0 "[ . 1 . 2]" 2 867 1 70 SER HG 1 72 TRP QB . . 4.790 2.455 1.994 3.838 . 0 0 "[ . 1 . 2]" 2 868 1 72 TRP QB 1 73 LEU H . . 4.870 3.090 2.407 3.677 . 0 0 "[ . 1 . 2]" 2 869 1 25 GLU HB2 1 81 ARG QD . . 5.500 5.250 4.534 5.519 0.019 19 0 "[ . 1 . 2]" 2 870 1 104 LYS H 1 104 LYS QD . . 5.020 4.035 3.612 4.383 . 0 0 "[ . 1 . 2]" 2 871 1 59 SER HA 1 62 ARG QB . . 4.170 3.920 3.492 4.261 0.091 15 0 "[ . 1 . 2]" 2 872 1 59 SER HA 1 62 ARG HG2 . . 4.790 2.416 2.002 4.362 . 0 0 "[ . 1 . 2]" 2 873 1 59 SER HA 1 62 ARG HG3 . . 4.790 3.605 3.040 4.557 . 0 0 "[ . 1 . 2]" 2 874 1 67 ASP HB2 1 72 TRP QB . . 5.140 3.179 2.603 4.070 . 0 0 "[ . 1 . 2]" 2 875 1 67 ASP HB3 1 72 TRP QB . . 5.140 3.997 3.005 4.407 . 0 0 "[ . 1 . 2]" 2 876 1 25 GLU H 1 25 GLU HB3 . . 3.570 2.406 2.226 2.567 . 0 0 "[ . 1 . 2]" 2 877 1 25 GLU HB3 1 26 ASN H . . 4.960 3.934 3.769 4.278 . 0 0 "[ . 1 . 2]" 2 878 1 25 GLU HB3 1 112 LYS H . . 5.020 4.376 3.783 4.820 . 0 0 "[ . 1 . 2]" 2 879 1 25 GLU HB3 1 113 ASP HA . . 4.570 3.967 3.419 4.279 . 0 0 "[ . 1 . 2]" 2 880 1 25 GLU HB3 1 81 ARG HA . . 5.500 3.809 3.345 4.367 . 0 0 "[ . 1 . 2]" 2 881 1 25 GLU HB2 1 81 ARG H . . 3.520 2.342 1.894 3.161 . 0 0 "[ . 1 . 2]" 2 882 1 25 GLU HB2 1 113 ASP HA . . 5.310 5.038 4.688 5.288 . 0 0 "[ . 1 . 2]" 2 883 1 25 GLU HB2 1 81 ARG HA . . 4.600 3.557 2.938 3.997 . 0 0 "[ . 1 . 2]" 2 884 1 25 GLU HB2 1 111 ILE MG . . 3.600 2.813 2.445 3.161 . 0 0 "[ . 1 . 2]" 2 885 1 16 LYS HA 1 16 LYS HD3 . . 5.180 4.835 3.966 5.071 . 0 0 "[ . 1 . 2]" 2 886 1 16 LYS HD3 1 19 TYR HA . . 5.230 4.641 3.358 4.995 . 0 0 "[ . 1 . 2]" 2 887 1 16 LYS HA 1 16 LYS HD2 . . 4.690 4.513 4.403 4.733 0.043 14 0 "[ . 1 . 2]" 2 888 1 59 SER HA 1 62 ARG H . . 4.360 3.749 3.342 4.084 . 0 0 "[ . 1 . 2]" 2 889 1 101 LYS HA 1 101 LYS HD3 . . 4.100 2.801 2.005 4.133 0.033 3 0 "[ . 1 . 2]" 2 890 1 96 ARG H 1 96 ARG HB2 . . 4.160 3.187 2.201 4.018 . 0 0 "[ . 1 . 2]" 2 891 1 96 ARG H 1 96 ARG HB3 . . 4.160 3.212 2.607 3.902 . 0 0 "[ . 1 . 2]" 2 892 1 79 ILE HA 1 80 ASP H . . 2.990 2.219 2.139 2.333 . 0 0 "[ . 1 . 2]" 2 893 1 79 ILE HA 1 80 ASP HB3 . . 5.150 4.815 4.324 4.968 . 0 0 "[ . 1 . 2]" 2 894 1 79 ILE HA 1 79 ILE HG13 . . 3.950 2.750 2.402 2.896 . 0 0 "[ . 1 . 2]" 2 895 1 79 ILE HA 1 79 ILE HG12 . . 3.810 2.750 2.580 3.510 . 0 0 "[ . 1 . 2]" 2 896 1 79 ILE HA 1 79 ILE MG . . 3.030 2.411 2.308 2.474 . 0 0 "[ . 1 . 2]" 2 897 1 58 GLU H 1 58 GLU HB2 . . 3.900 3.122 2.222 3.631 . 0 0 "[ . 1 . 2]" 2 898 1 58 GLU HB2 1 59 SER H . . 4.650 3.755 2.491 4.240 . 0 0 "[ . 1 . 2]" 2 899 1 58 GLU H 1 58 GLU HB3 . . 3.900 2.734 2.369 3.591 . 0 0 "[ . 1 . 2]" 2 900 1 58 GLU HB3 1 59 SER H . . 4.650 3.608 2.231 4.312 . 0 0 "[ . 1 . 2]" 2 901 1 108 VAL HA 1 109 LEU H . . 2.900 2.153 2.141 2.225 . 0 0 "[ . 1 . 2]" 2 902 1 88 ARG HB2 1 108 VAL HA . . 4.960 4.597 4.281 4.958 . 0 0 "[ . 1 . 2]" 2 903 1 108 VAL HA 1 109 LEU HG . . 5.220 4.050 3.836 4.314 . 0 0 "[ . 1 . 2]" 2 904 1 88 ARG QG 1 108 VAL HA . . 4.210 2.953 2.426 3.383 . 0 0 "[ . 1 . 2]" 2 905 1 107 VAL MG1 1 108 VAL HA . . 4.760 3.952 3.743 4.152 . 0 0 "[ . 1 . 2]" 2 906 1 84 VAL HA 1 85 ASN H . . 2.960 2.165 2.144 2.220 . 0 0 "[ . 1 . 2]" 2 907 1 84 VAL HA 1 84 VAL MG1 . . 2.900 2.319 2.188 2.398 . 0 0 "[ . 1 . 2]" 2 908 1 64 LEU MD1 1 65 ARG H . . 5.180 5.047 4.876 5.180 . 0 0 "[ . 1 . 2]" 2 909 1 64 LEU HA 1 64 LEU MD1 . . 4.410 3.947 3.898 3.999 . 0 0 "[ . 1 . 2]" 2 910 1 53 PHE HA 1 54 GLY HA2 . . 4.640 4.458 4.379 4.571 . 0 0 "[ . 1 . 2]" 2 911 1 106 THR MG 1 108 VAL HA . . 5.500 4.016 3.809 4.164 . 0 0 "[ . 1 . 2]" 2 912 1 57 THR HA 1 58 GLU H . . 3.420 2.378 2.233 2.612 . 0 0 "[ . 1 . 2]" 2 913 1 57 THR HA 1 60 VAL HB . . 5.260 4.766 4.464 5.107 . 0 0 "[ . 1 . 2]" 2 914 1 56 ALA MB 1 57 THR HA . . 4.810 4.181 3.963 4.632 . 0 0 "[ . 1 . 2]" 2 915 1 27 SER HA 1 28 ALA H . . 2.870 2.154 2.138 2.197 . 0 0 "[ . 1 . 2]" 2 916 1 27 SER HA 1 31 THR HG1 . . 4.510 3.238 2.608 3.865 . 0 0 "[ . 1 . 2]" 2 917 1 27 SER HA 1 31 THR MG . . 4.360 3.634 3.159 4.121 . 0 0 "[ . 1 . 2]" 2 918 1 64 LEU MD1 1 89 PHE QD . . 3.850 3.285 2.927 3.748 . 0 0 "[ . 1 . 2]" 2 919 1 64 LEU MD1 1 89 PHE HZ . . 4.100 3.292 2.913 3.661 . 0 0 "[ . 1 . 2]" 2 920 1 64 LEU MD1 1 89 PHE QE . . 3.360 2.368 1.969 2.753 . 0 0 "[ . 1 . 2]" 2 921 1 53 PHE HZ 1 64 LEU MD1 . . 4.290 3.732 3.199 4.099 . 0 0 "[ . 1 . 2]" 2 922 1 64 LEU HB2 1 64 LEU MD1 . . 3.310 2.072 1.984 2.192 . 0 0 "[ . 1 . 2]" 2 923 1 64 LEU HB3 1 64 LEU MD1 . . 3.310 2.613 2.552 2.660 . 0 0 "[ . 1 . 2]" 2 924 1 64 LEU MD1 1 107 VAL MG1 . . 4.900 4.501 4.043 4.702 . 0 0 "[ . 1 . 2]" 2 925 1 53 PHE HA 1 92 MET H . . 4.270 3.646 3.197 3.899 . 0 0 "[ . 1 . 2]" 2 926 1 53 PHE HA 1 53 PHE QE . . 4.600 4.262 4.136 4.346 . 0 0 "[ . 1 . 2]" 2 927 1 29 PRO HG2 1 75 VAL MG1 . . 5.500 5.358 5.104 5.497 . 0 0 "[ . 1 . 2]" 2 928 1 28 ALA HA 1 29 PRO HG3 . . 4.890 4.589 4.535 4.636 . 0 0 "[ . 1 . 2]" 2 929 1 29 PRO HG3 1 75 VAL MG1 . . 5.500 5.431 5.226 5.548 0.048 20 0 "[ . 1 . 2]" 2 930 1 53 PHE HA 1 54 GLY H . . 3.140 2.197 2.143 2.326 . 0 0 "[ . 1 . 2]" 2 931 1 53 PHE HA 1 53 PHE QD . . 3.560 2.352 2.000 2.587 . 0 0 "[ . 1 . 2]" 2 932 1 19 TYR H 1 107 VAL HA . . 3.810 3.032 2.784 3.206 . 0 0 "[ . 1 . 2]" 2 933 1 19 TYR QB 1 107 VAL HA . . 3.660 2.567 2.119 2.827 . 0 0 "[ . 1 . 2]" 2 934 1 107 VAL HA 1 108 VAL HB . . 4.990 4.704 4.623 4.782 . 0 0 "[ . 1 . 2]" 2 935 1 106 THR MG 1 107 VAL HA . . 4.930 3.760 3.529 4.107 . 0 0 "[ . 1 . 2]" 2 936 1 72 TRP HA 1 73 LEU H . . 3.040 2.228 2.141 2.438 . 0 0 "[ . 1 . 2]" 2 937 1 36 LEU H 1 72 TRP HA . . 4.060 3.339 2.834 4.059 . 0 0 "[ . 1 . 2]" 2 938 1 34 LEU H 1 72 TRP HA . . 5.470 5.212 4.857 5.424 . 0 0 "[ . 1 . 2]" 2 939 1 72 TRP HA 1 72 TRP HE3 . . 3.940 3.208 2.838 3.486 . 0 0 "[ . 1 . 2]" 2 940 1 35 GLN HA 1 72 TRP HA . . 3.330 2.244 1.999 2.545 . 0 0 "[ . 1 . 2]" 2 941 1 72 TRP HA 1 73 LEU HB3 . . 5.140 4.866 4.634 5.045 . 0 0 "[ . 1 . 2]" 2 942 1 72 TRP HA 1 73 LEU HB2 . . 4.670 4.211 3.996 4.461 . 0 0 "[ . 1 . 2]" 2 943 1 35 GLN HG3 1 72 TRP HA . . 5.130 3.311 2.360 4.594 . 0 0 "[ . 1 . 2]" 2 944 1 58 GLU HA 1 62 ARG H . . 5.140 4.157 3.814 4.816 . 0 0 "[ . 1 . 2]" 2 945 1 58 GLU HA 1 61 ARG HG3 . . 4.750 3.187 2.032 3.686 . 0 0 "[ . 1 . 2]" 2 946 1 79 ILE H 1 79 ILE HG13 . . 4.240 2.893 2.583 3.446 . 0 0 "[ . 1 . 2]" 2 947 1 112 LYS HA 1 112 LYS HD2 . . 3.920 2.396 2.000 3.961 0.041 2 0 "[ . 1 . 2]" 2 948 1 110 ASN HB3 1 112 LYS HD2 . . 5.000 4.505 3.911 5.001 0.001 1 0 "[ . 1 . 2]" 2 949 1 112 LYS HA 1 112 LYS HD3 . . 3.920 3.454 2.523 3.853 . 0 0 "[ . 1 . 2]" 2 950 1 110 ASN HB3 1 112 LYS HD3 . . 5.000 3.885 3.163 4.995 . 0 0 "[ . 1 . 2]" 2 951 1 88 ARG H 1 88 ARG QG . . 4.620 4.093 3.408 4.401 . 0 0 "[ . 1 . 2]" 2 952 1 79 ILE H 1 79 ILE HG12 . . 4.460 4.171 4.002 4.455 . 0 0 "[ . 1 . 2]" 2 953 1 79 ILE HG12 1 79 ILE MG . . 3.350 2.191 2.026 2.314 . 0 0 "[ . 1 . 2]" 2 954 1 58 GLU HA 1 61 ARG H . . 4.180 3.520 3.084 4.050 . 0 0 "[ . 1 . 2]" 2 955 1 58 GLU HA 1 61 ARG HD3 . . 4.390 3.000 2.035 4.394 0.004 3 0 "[ . 1 . 2]" 2 956 1 58 GLU HA 1 61 ARG HG2 . . 4.750 2.907 1.989 4.756 0.006 5 0 "[ . 1 . 2]" 2 957 1 86 GLN HG2 1 88 ARG QG . . 4.510 4.141 2.585 4.520 0.010 13 0 "[ . 1 . 2]" 2 958 1 49 ILE H 1 49 ILE HG12 . . 4.380 2.604 1.901 3.083 . 0 0 "[ . 1 . 2]" 2 959 1 118 VAL HA 1 119 PRO HD2 . . 3.210 2.140 1.921 2.313 . 0 0 "[ . 1 . 2]" 2 960 1 118 VAL HA 1 119 PRO HD3 . . 3.210 2.285 2.253 2.576 . 0 0 "[ . 1 . 2]" 2 961 1 62 ARG HG2 1 63 LEU H . . 4.880 2.493 2.173 2.952 . 0 0 "[ . 1 . 2]" 2 962 1 62 ARG HG3 1 63 LEU H . . 4.880 2.973 2.272 4.325 . 0 0 "[ . 1 . 2]" 2 963 1 78 ARG HA 1 78 ARG HG2 . . 3.950 2.812 2.319 3.581 . 0 0 "[ . 1 . 2]" 2 964 1 65 ARG H 1 65 ARG HG2 . . 5.280 4.633 4.283 4.797 . 0 0 "[ . 1 . 2]" 2 965 1 65 ARG HA 1 65 ARG HG2 . . 3.970 3.469 2.617 3.875 . 0 0 "[ . 1 . 2]" 2 966 1 62 ARG H 1 62 ARG HG2 . . 4.410 2.417 2.031 3.321 . 0 0 "[ . 1 . 2]" 2 967 1 78 ARG H 1 78 ARG HG3 . . 4.280 2.732 2.023 4.196 . 0 0 "[ . 1 . 2]" 2 968 1 62 ARG H 1 62 ARG HG3 . . 4.410 3.596 3.205 4.155 . 0 0 "[ . 1 . 2]" 2 969 1 62 ARG HG3 1 63 LEU HA . . 4.930 3.485 3.039 4.701 . 0 0 "[ . 1 . 2]" 2 970 1 65 ARG H 1 65 ARG HG3 . . 5.280 4.510 4.314 4.656 . 0 0 "[ . 1 . 2]" 2 971 1 65 ARG HG3 1 66 LEU H . . 4.510 2.828 2.162 3.757 . 0 0 "[ . 1 . 2]" 2 972 1 65 ARG HA 1 65 ARG HG3 . . 3.970 2.734 2.508 2.941 . 0 0 "[ . 1 . 2]" 2 973 1 65 ARG HG3 1 76 LEU MD1 . . 4.110 3.697 2.683 4.113 0.003 6 0 "[ . 1 . 2]" 2 974 1 81 ARG HG2 1 82 GLU H . . 5.200 4.596 3.527 5.033 . 0 0 "[ . 1 . 2]" 2 975 1 65 ARG HG2 1 66 LEU H . . 4.510 3.708 2.317 4.519 0.009 14 0 "[ . 1 . 2]" 2 976 1 65 ARG HG2 1 76 LEU MD1 . . 4.110 3.401 2.770 4.124 0.014 12 0 "[ . 1 . 2]" 2 977 1 81 ARG HG3 1 82 GLU H . . 5.200 5.108 4.740 5.214 0.014 19 0 "[ . 1 . 2]" 2 978 1 62 ARG HG2 1 63 LEU HA . . 4.930 4.221 3.027 4.924 . 0 0 "[ . 1 . 2]" 2 979 1 81 ARG HG3 1 111 ILE MG . . 4.040 2.619 1.931 3.422 . 0 0 "[ . 1 . 2]" 2 980 1 87 LEU H 1 109 LEU MD1 . . 5.190 4.868 4.401 5.198 0.008 13 0 "[ . 1 . 2]" 2 981 1 109 LEU H 1 109 LEU MD1 . . 5.350 3.976 3.759 4.199 . 0 0 "[ . 1 . 2]" 2 982 1 23 LEU H 1 109 LEU MD1 . . 5.350 5.020 4.558 5.288 . 0 0 "[ . 1 . 2]" 2 983 1 109 LEU MD1 1 110 ASN H . . 5.500 5.371 5.188 5.496 . 0 0 "[ . 1 . 2]" 2 984 1 89 PHE HZ 1 109 LEU MD1 . . 3.700 2.203 1.983 2.820 . 0 0 "[ . 1 . 2]" 2 985 1 89 PHE QE 1 109 LEU MD1 . . 3.540 2.040 1.810 2.712 . 0 0 "[ . 1 . 2]" 2 986 1 109 LEU HB3 1 109 LEU MD1 . . 3.290 2.385 2.268 2.483 . 0 0 "[ . 1 . 2]" 2 987 1 109 LEU HB2 1 109 LEU MD1 . . 3.220 2.293 2.169 2.449 . 0 0 "[ . 1 . 2]" 2 988 1 64 LEU MD1 1 109 LEU MD1 . . 2.840 2.357 1.855 2.818 . 0 0 "[ . 1 . 2]" 2 989 1 12 PRO HG2 1 94 ARG HA . . 4.670 4.394 3.512 4.676 0.006 19 0 "[ . 1 . 2]" 2 990 1 81 ARG H 1 81 ARG HG2 . . 4.720 4.327 4.150 4.462 . 0 0 "[ . 1 . 2]" 2 991 1 81 ARG HG2 1 111 ILE MG . . 4.040 2.230 1.801 3.287 . 0 0 "[ . 1 . 2]" 2 992 1 12 PRO HG3 1 49 ILE MD . . 4.460 3.212 2.715 3.490 . 0 0 "[ . 1 . 2]" 2 993 1 81 ARG H 1 81 ARG HG3 . . 4.720 4.534 4.412 4.653 . 0 0 "[ . 1 . 2]" 2 994 1 111 ILE HG13 1 111 ILE MG . . 3.250 2.396 2.305 2.510 . 0 0 "[ . 1 . 2]" 2 995 1 111 ILE H 1 111 ILE HG12 . . 3.860 2.158 1.932 2.383 . 0 0 "[ . 1 . 2]" 2 996 1 110 ASN HA 1 111 ILE HG12 . . 4.900 3.826 3.594 4.000 . 0 0 "[ . 1 . 2]" 2 997 1 17 SER HA 1 105 ALA HA . . 4.410 4.270 3.865 4.430 0.020 19 0 "[ . 1 . 2]" 2 998 1 14 PHE HB2 1 17 SER HA . . 5.210 4.138 3.739 4.415 . 0 0 "[ . 1 . 2]" 2 999 1 14 PHE HB3 1 17 SER HA . . 5.210 5.037 4.540 5.217 0.007 11 0 "[ . 1 . 2]" 2 1000 1 17 SER HA 1 105 ALA MB . . 3.900 3.803 3.592 3.907 0.007 19 0 "[ . 1 . 2]" 2 1001 1 96 ARG HA 1 96 ARG HG2 . . 4.060 3.332 2.405 4.197 0.137 7 0 "[ . 1 . 2]" 2 1002 1 96 ARG HA 1 96 ARG HG3 . . 4.060 3.556 2.851 3.909 . 0 0 "[ . 1 . 2]" 2 1003 1 21 ALA H 1 34 LEU MD2 . . 4.520 3.911 3.657 4.177 . 0 0 "[ . 1 . 2]" 2 1004 1 20 GLU H 1 34 LEU MD2 . . 5.020 4.782 4.388 5.020 0.000 3 0 "[ . 1 . 2]" 2 1005 1 34 LEU H 1 34 LEU MD2 . . 4.700 4.020 3.818 4.187 . 0 0 "[ . 1 . 2]" 2 1006 1 19 TYR QD 1 34 LEU MD2 . . 3.620 2.460 2.030 3.030 . 0 0 "[ . 1 . 2]" 2 1007 1 20 GLU HA 1 34 LEU MD2 . . 5.070 4.803 4.512 5.045 . 0 0 "[ . 1 . 2]" 2 1008 1 21 ALA HA 1 34 LEU MD2 . . 4.460 4.205 3.918 4.463 0.003 20 0 "[ . 1 . 2]" 2 1009 1 19 TYR HA 1 34 LEU MD2 . . 4.630 4.348 3.970 4.648 0.018 14 0 "[ . 1 . 2]" 2 1010 1 19 TYR QB 1 34 LEU MD2 . . 3.260 2.366 1.943 2.849 . 0 0 "[ . 1 . 2]" 2 1011 1 34 LEU HB2 1 34 LEU MD2 . . 3.310 2.581 2.475 2.696 . 0 0 "[ . 1 . 2]" 2 1012 1 99 PRO HA 1 100 PRO HG3 . . 4.670 4.358 4.336 4.423 . 0 0 "[ . 1 . 2]" 2 1013 1 98 GLN HA 1 100 PRO HG3 . . 4.910 4.378 4.189 4.836 . 0 0 "[ . 1 . 2]" 2 1014 1 94 ARG HD2 1 100 PRO HG2 . . 4.570 3.980 2.330 4.573 0.003 8 0 "[ . 1 . 2]" 2 1015 1 41 LEU HA 1 41 LEU HG . . 3.620 2.964 2.763 3.266 . 0 0 "[ . 1 . 2]" 2 1016 1 96 ARG H 1 96 ARG HG3 . . 4.110 2.995 1.887 3.844 . 0 0 "[ . 1 . 2]" 2 1017 1 37 ARG H 1 37 ARG QG . . 4.190 3.202 1.905 3.650 . 0 0 "[ . 1 . 2]" 2 1018 1 36 LEU HA 1 37 ARG QG . . 4.960 4.216 3.300 4.609 . 0 0 "[ . 1 . 2]" 2 1019 1 37 ARG QG 1 38 ALA H . . 4.470 3.948 3.395 4.475 0.005 10 0 "[ . 1 . 2]" 2 1020 1 36 LEU H 1 37 ARG QG . . 5.240 4.881 4.538 5.122 . 0 0 "[ . 1 . 2]" 2 1021 1 100 PRO HG3 1 102 THR MG . . 4.940 4.464 3.651 4.878 . 0 0 "[ . 1 . 2]" 2 1022 1 99 PRO HA 1 100 PRO HG2 . . 4.620 4.317 4.267 4.438 . 0 0 "[ . 1 . 2]" 2 1023 1 73 LEU H 1 73 LEU HG . . 4.980 4.503 4.240 4.675 . 0 0 "[ . 1 . 2]" 2 1024 1 41 LEU H 1 41 LEU HG . . 3.660 2.864 2.309 3.156 . 0 0 "[ . 1 . 2]" 2 1025 1 49 ILE HA 1 94 ARG H . . 4.990 4.914 4.580 5.041 0.051 19 0 "[ . 1 . 2]" 2 1026 1 49 ILE HA 1 50 GLU H . . 3.100 2.179 2.140 2.323 . 0 0 "[ . 1 . 2]" 2 1027 1 49 ILE HA 1 95 ASP HA . . 3.670 3.263 2.747 3.577 . 0 0 "[ . 1 . 2]" 2 1028 1 33 ILE MD 1 73 LEU HG . . 4.700 3.444 1.941 4.443 . 0 0 "[ . 1 . 2]" 2 1029 1 40 ASP H 1 41 LEU HG . . 5.150 4.141 2.988 4.750 . 0 0 "[ . 1 . 2]" 2 1030 1 41 LEU HG 1 42 ASP H . . 5.500 4.511 3.940 5.200 . 0 0 "[ . 1 . 2]" 2 1031 1 36 LEU H 1 36 LEU MD1 . . 4.280 3.021 1.854 3.682 . 0 0 "[ . 1 . 2]" 2 1032 1 14 PHE QD 1 36 LEU MD1 . . 5.470 4.557 2.509 5.244 . 0 0 "[ . 1 . 2]" 2 1033 1 36 LEU MD1 1 37 ARG H . . 5.500 4.937 3.274 5.471 . 0 0 "[ . 1 . 2]" 2 1034 1 14 PHE QE 1 36 LEU MD1 . . 4.240 3.340 2.202 4.269 0.029 2 0 "[ . 1 . 2]" 2 1035 1 14 PHE HZ 1 36 LEU MD1 . . 5.270 4.101 2.677 5.272 0.002 9 0 "[ . 1 . 2]" 2 1036 1 19 TYR QE 1 36 LEU MD1 . . 5.500 4.480 2.866 5.392 . 0 0 "[ . 1 . 2]" 2 1037 1 36 LEU MD1 1 91 VAL HB . . 4.500 3.322 2.273 4.317 . 0 0 "[ . 1 . 2]" 2 1038 1 36 LEU HB3 1 36 LEU MD1 . . 3.510 2.727 2.262 3.194 . 0 0 "[ . 1 . 2]" 2 1039 1 15 GLU HA 1 15 GLU HG2 . . 3.980 2.491 2.167 2.843 . 0 0 "[ . 1 . 2]" 2 1040 1 63 LEU HG 1 79 ILE HG12 . . 5.020 3.170 2.788 4.285 . 0 0 "[ . 1 . 2]" 2 1041 1 33 ILE H 1 33 ILE HG12 . . 4.030 3.877 3.665 4.039 0.009 3 0 "[ . 1 . 2]" 2 1042 1 33 ILE HG12 1 34 LEU H . . 5.070 4.763 4.681 4.834 . 0 0 "[ . 1 . 2]" 2 1043 1 32 PRO HA 1 33 ILE HG12 . . 5.500 5.239 4.870 5.490 . 0 0 "[ . 1 . 2]" 2 1044 1 23 LEU HG 1 33 ILE HG12 . . 4.160 3.026 2.325 3.524 . 0 0 "[ . 1 . 2]" 2 1045 1 31 THR MG 1 33 ILE HG12 . . 4.890 4.528 3.751 4.778 . 0 0 "[ . 1 . 2]" 2 1046 1 89 PHE QE 1 109 LEU HG . . 4.380 2.987 2.412 3.549 . 0 0 "[ . 1 . 2]" 2 1047 1 109 LEU H 1 109 LEU HG . . 4.060 2.806 2.548 3.063 . 0 0 "[ . 1 . 2]" 2 1048 1 87 LEU HG 1 88 ARG H . . 5.010 4.754 3.409 5.019 0.009 7 0 "[ . 1 . 2]" 2 1049 1 64 LEU HG 1 75 VAL MG2 . . 5.140 4.629 4.214 5.079 . 0 0 "[ . 1 . 2]" 2 1050 1 64 LEU HG 1 109 LEU MD1 . . 5.280 4.580 4.192 4.971 . 0 0 "[ . 1 . 2]" 2 1051 1 23 LEU H 1 23 LEU HG . . 5.020 4.772 4.652 4.890 . 0 0 "[ . 1 . 2]" 2 1052 1 65 ARG HB2 1 76 LEU HG . . 4.480 4.208 3.899 4.400 . 0 0 "[ . 1 . 2]" 2 1053 1 76 LEU H 1 76 LEU HG . . 4.590 4.520 4.419 4.563 . 0 0 "[ . 1 . 2]" 2 1054 1 76 LEU HG 1 77 HIS H . . 4.670 4.006 3.821 4.140 . 0 0 "[ . 1 . 2]" 2 1055 1 76 LEU HA 1 76 LEU HG . . 4.020 3.045 2.905 3.142 . 0 0 "[ . 1 . 2]" 2 1056 1 73 LEU MD2 1 74 SER H . . 4.870 3.050 2.152 4.524 . 0 0 "[ . 1 . 2]" 2 1057 1 73 LEU H 1 73 LEU MD2 . . 4.750 4.323 4.201 4.578 . 0 0 "[ . 1 . 2]" 2 1058 1 73 LEU MD2 1 89 PHE HZ . . 3.660 2.689 2.036 3.182 . 0 0 "[ . 1 . 2]" 2 1059 1 53 PHE HZ 1 73 LEU MD2 . . 4.670 3.876 2.702 4.675 0.005 5 0 "[ . 1 . 2]" 2 1060 1 73 LEU HA 1 73 LEU MD2 . . 3.940 3.144 2.473 3.887 . 0 0 "[ . 1 . 2]" 2 1061 1 66 LEU HA 1 73 LEU MD2 . . 5.070 4.156 3.325 5.075 0.005 2 0 "[ . 1 . 2]" 2 1062 1 73 LEU HB3 1 73 LEU MD2 . . 3.480 2.250 2.099 2.370 . 0 0 "[ . 1 . 2]" 2 1063 1 34 LEU HG 1 73 LEU MD2 . . 4.820 3.464 2.314 4.317 . 0 0 "[ . 1 . 2]" 2 1064 1 33 ILE MD 1 73 LEU MD2 . . 3.570 1.969 1.701 2.666 . 0 0 "[ . 1 . 2]" 2 1065 1 66 LEU MD1 1 73 LEU MD2 . . 4.880 3.775 3.191 4.902 0.022 10 0 "[ . 1 . 2]" 2 1066 1 66 LEU MD2 1 73 LEU MD2 . . 4.880 4.579 3.524 4.885 0.005 15 0 "[ . 1 . 2]" 2 1067 1 33 ILE H 1 33 ILE HG13 . . 4.480 2.526 2.257 2.851 . 0 0 "[ . 1 . 2]" 2 1068 1 33 ILE HA 1 33 ILE HG13 . . 4.030 2.852 2.711 2.993 . 0 0 "[ . 1 . 2]" 2 1069 1 51 TYR HB2 1 66 LEU HG . . 4.830 3.605 3.133 4.007 . 0 0 "[ . 1 . 2]" 2 1070 1 63 LEU HG 1 64 LEU H . . 5.030 3.826 3.508 4.427 . 0 0 "[ . 1 . 2]" 2 1071 1 63 LEU HG 1 64 LEU HG . . 4.480 2.243 1.981 4.527 0.047 7 0 "[ . 1 . 2]" 2 1072 1 33 ILE HG12 1 75 VAL H . . 4.940 4.434 4.029 4.808 . 0 0 "[ . 1 . 2]" 2 1073 1 13 ARG HA 1 13 ARG HG2 . . 4.100 2.986 2.218 3.892 . 0 0 "[ . 1 . 2]" 2 1074 1 13 ARG HA 1 13 ARG HG3 . . 4.100 3.130 2.524 3.755 . 0 0 "[ . 1 . 2]" 2 1075 1 23 LEU H 1 23 LEU MD1 . . 4.270 4.156 4.015 4.276 0.006 12 0 "[ . 1 . 2]" 2 1076 1 23 LEU MD1 1 27 SER HG . . 4.480 2.280 1.802 3.458 . 0 0 "[ . 1 . 2]" 2 1077 1 23 LEU HA 1 23 LEU MD1 . . 3.980 3.044 2.919 3.159 . 0 0 "[ . 1 . 2]" 2 1078 1 23 LEU MD1 1 31 THR HB . . 4.620 4.527 4.171 4.635 0.015 11 0 "[ . 1 . 2]" 2 1079 1 23 LEU MD1 1 79 ILE HB . . 4.520 3.416 3.156 3.685 . 0 0 "[ . 1 . 2]" 2 1080 1 23 LEU MD1 1 75 VAL MG2 . . 2.960 2.614 2.325 2.854 . 0 0 "[ . 1 . 2]" 2 1081 1 23 LEU MD1 1 24 ALA H . . 4.440 2.498 1.944 2.859 . 0 0 "[ . 1 . 2]" 2 1082 1 23 LEU MD1 1 79 ILE HG13 . . 4.410 4.170 3.982 4.392 . 0 0 "[ . 1 . 2]" 2 1083 1 23 LEU MD1 1 33 ILE HG12 . . 4.670 4.091 3.715 4.510 . 0 0 "[ . 1 . 2]" 2 1084 1 23 LEU MD1 1 109 LEU HB3 . . 5.250 4.569 4.189 4.959 . 0 0 "[ . 1 . 2]" 2 1085 1 23 LEU HB2 1 23 LEU MD1 . . 3.200 3.158 3.134 3.174 . 0 0 "[ . 1 . 2]" 2 1086 1 23 LEU HB3 1 23 LEU MD1 . . 3.200 2.177 2.112 2.245 . 0 0 "[ . 1 . 2]" 2 1087 1 36 LEU H 1 36 LEU HG . . 4.100 2.897 1.897 4.058 . 0 0 "[ . 1 . 2]" 2 1088 1 94 ARG H 1 94 ARG HG3 . . 4.330 2.352 2.046 2.740 . 0 0 "[ . 1 . 2]" 2 1089 1 92 MET ME 1 94 ARG HG3 . . 5.500 4.430 3.689 5.320 . 0 0 "[ . 1 . 2]" 2 1090 1 92 MET ME 1 94 ARG HG2 . . 5.500 3.894 3.398 4.292 . 0 0 "[ . 1 . 2]" 2 1091 1 73 LEU HB3 1 73 LEU MD1 . . 3.480 2.699 2.246 3.180 . 0 0 "[ . 1 . 2]" 2 1092 1 52 VAL H 1 66 LEU MD2 . . 5.500 3.781 3.127 5.503 0.003 10 0 "[ . 1 . 2]" 2 1093 1 66 LEU MD2 1 67 ASP HA . . 5.200 5.008 3.591 5.212 0.012 1 0 "[ . 1 . 2]" 2 1094 1 51 TYR HB2 1 66 LEU MD2 . . 4.080 3.213 2.649 3.599 . 0 0 "[ . 1 . 2]" 2 1095 1 51 TYR HB3 1 66 LEU MD2 . . 3.900 3.032 2.715 3.361 . 0 0 "[ . 1 . 2]" 2 1096 1 36 LEU MD1 1 66 LEU MD2 . . 5.290 3.051 1.984 4.561 . 0 0 "[ . 1 . 2]" 2 1097 1 24 ALA H 1 25 GLU HA . . 5.500 5.467 5.342 5.540 0.040 17 0 "[ . 1 . 2]" 2 1098 1 25 GLU HA 1 79 ILE H . . 5.500 5.261 4.711 5.504 0.004 3 0 "[ . 1 . 2]" 2 1099 1 25 GLU HA 1 27 SER H . . 4.420 3.750 3.438 4.018 . 0 0 "[ . 1 . 2]" 2 1100 1 25 GLU HA 1 79 ILE MG . . 3.560 2.473 1.969 2.938 . 0 0 "[ . 1 . 2]" 2 1101 1 73 LEU MD1 1 74 SER H . . 4.870 4.031 2.632 4.863 . 0 0 "[ . 1 . 2]" 2 1102 1 73 LEU H 1 73 LEU MD1 . . 4.750 4.327 4.093 4.651 . 0 0 "[ . 1 . 2]" 2 1103 1 73 LEU MD1 1 89 PHE HZ . . 3.660 2.811 2.044 3.657 . 0 0 "[ . 1 . 2]" 2 1104 1 73 LEU MD1 1 89 PHE QE . . 3.750 2.640 1.954 3.643 . 0 0 "[ . 1 . 2]" 2 1105 1 53 PHE HZ 1 73 LEU MD1 . . 4.670 3.676 2.634 4.660 . 0 0 "[ . 1 . 2]" 2 1106 1 66 LEU HA 1 73 LEU MD1 . . 5.070 3.641 1.985 4.802 . 0 0 "[ . 1 . 2]" 2 1107 1 66 LEU MD2 1 73 LEU MD1 . . 4.880 3.262 2.572 3.664 . 0 0 "[ . 1 . 2]" 2 1108 1 87 LEU H 1 87 LEU MD1 . . 4.510 3.411 2.622 4.088 . 0 0 "[ . 1 . 2]" 2 1109 1 87 LEU MD1 1 89 PHE QD . . 5.100 4.430 4.126 5.070 . 0 0 "[ . 1 . 2]" 2 1110 1 66 LEU H 1 66 LEU MD2 . . 4.590 4.321 4.152 4.454 . 0 0 "[ . 1 . 2]" 2 1111 1 51 TYR QD 1 66 LEU MD2 . . 4.710 4.512 3.656 4.720 0.010 9 0 "[ . 1 . 2]" 2 1112 1 87 LEU MD1 1 89 PHE QE . . 5.200 3.683 2.980 4.628 . 0 0 "[ . 1 . 2]" 2 1113 1 33 ILE MG 1 34 LEU HG . . 3.640 2.235 1.984 2.486 . 0 0 "[ . 1 . 2]" 2 1114 1 33 ILE MD 1 34 LEU HG . . 4.870 4.143 4.039 4.280 . 0 0 "[ . 1 . 2]" 2 1115 1 63 LEU H 1 63 LEU MD1 . . 4.410 4.212 3.816 4.313 . 0 0 "[ . 1 . 2]" 2 1116 1 63 LEU HA 1 63 LEU MD1 . . 4.020 2.277 2.019 3.938 . 0 0 "[ . 1 . 2]" 2 1117 1 63 LEU MD1 1 79 ILE HA . . 3.890 2.641 2.213 3.127 . 0 0 "[ . 1 . 2]" 2 1118 1 60 VAL HA 1 87 LEU MD1 . . 4.710 4.525 3.802 4.726 0.016 15 0 "[ . 1 . 2]" 2 1119 1 63 LEU MD1 1 79 ILE HB . . 5.360 4.138 3.968 4.567 . 0 0 "[ . 1 . 2]" 2 1120 1 63 LEU HB2 1 63 LEU MD1 . . 3.500 2.280 2.181 2.398 . 0 0 "[ . 1 . 2]" 2 1121 1 63 LEU HB3 1 63 LEU MD1 . . 3.500 3.139 2.423 3.187 . 0 0 "[ . 1 . 2]" 2 1122 1 61 ARG HA 1 64 LEU H . . 4.110 3.676 3.345 4.073 . 0 0 "[ . 1 . 2]" 2 1123 1 61 ARG HA 1 63 LEU H . . 4.740 4.361 3.869 4.679 . 0 0 "[ . 1 . 2]" 2 1124 1 53 PHE QE 1 61 ARG HA . . 4.280 2.951 2.066 3.666 . 0 0 "[ . 1 . 2]" 2 1125 1 61 ARG HA 1 61 ARG HG2 . . 4.180 3.365 2.226 4.211 0.031 11 0 "[ . 1 . 2]" 2 1126 1 61 ARG HA 1 61 ARG HG3 . . 4.180 3.458 2.824 3.823 . 0 0 "[ . 1 . 2]" 2 1127 1 62 ARG HA 1 77 HIS HD2 . . 4.750 4.110 3.786 4.656 . 0 0 "[ . 1 . 2]" 2 1128 1 62 ARG HA 1 62 ARG HG2 . . 3.930 3.739 3.476 3.859 . 0 0 "[ . 1 . 2]" 2 1129 1 62 ARG HA 1 62 ARG HG3 . . 3.930 3.734 3.556 4.117 0.187 12 0 "[ . 1 . 2]" 2 1130 1 62 ARG HA 1 76 LEU MD2 . . 3.690 2.572 2.308 2.806 . 0 0 "[ . 1 . 2]" 2 1131 1 28 ALA HA 1 78 ARG HA . . 4.400 3.982 3.289 4.330 . 0 0 "[ . 1 . 2]" 2 1132 1 82 GLU HA 1 82 GLU HG2 . . 3.640 2.701 2.233 3.709 0.069 6 0 "[ . 1 . 2]" 2 1133 1 82 GLU HA 1 82 GLU HG3 . . 3.640 2.903 2.649 3.627 . 0 0 "[ . 1 . 2]" 2 1134 1 53 PHE HZ 1 61 ARG HA . . 4.540 3.488 2.623 4.302 . 0 0 "[ . 1 . 2]" 2 1135 1 101 LYS H 1 101 LYS HG2 . . 4.850 3.579 2.080 4.652 . 0 0 "[ . 1 . 2]" 2 1136 1 101 LYS H 1 101 LYS HG3 . . 4.850 4.009 3.245 4.515 . 0 0 "[ . 1 . 2]" 2 1137 1 81 ARG H 1 82 GLU HA . . 5.500 5.336 5.039 5.532 0.032 17 0 "[ . 1 . 2]" 2 1138 1 78 ARG HA 1 79 ILE H . . 3.380 2.263 2.167 2.428 . 0 0 "[ . 1 . 2]" 2 1139 1 78 ARG HA 1 79 ILE HG13 . . 4.110 3.621 3.411 4.081 . 0 0 "[ . 1 . 2]" 2 1140 1 78 ARG HA 1 78 ARG HG3 . . 3.950 3.145 2.192 4.183 0.233 16 0 "[ . 1 . 2]" 2 1141 1 78 ARG HA 1 79 ILE HG12 . . 5.500 5.242 5.020 5.387 . 0 0 "[ . 1 . 2]" 2 1142 1 78 ARG HA 1 79 ILE MD . . 4.650 4.437 2.804 4.654 0.004 9 0 "[ . 1 . 2]" 2 1143 1 76 LEU H 1 76 LEU MD2 . . 4.470 4.400 4.345 4.482 0.012 1 0 "[ . 1 . 2]" 2 1144 1 64 LEU H 1 76 LEU MD2 . . 4.470 3.921 3.412 4.422 . 0 0 "[ . 1 . 2]" 2 1145 1 76 LEU MD2 1 77 HIS H . . 4.410 4.364 4.227 4.425 0.015 12 0 "[ . 1 . 2]" 2 1146 1 76 LEU MD2 1 77 HIS HD2 . . 4.070 3.481 2.607 3.853 . 0 0 "[ . 1 . 2]" 2 1147 1 65 ARG HA 1 76 LEU MD2 . . 4.090 3.513 3.094 4.053 . 0 0 "[ . 1 . 2]" 2 1148 1 76 LEU HA 1 76 LEU MD2 . . 4.030 3.877 3.843 3.918 . 0 0 "[ . 1 . 2]" 2 1149 1 65 ARG HD2 1 76 LEU MD2 . . 4.740 3.325 2.065 4.740 0.000 7 0 "[ . 1 . 2]" 2 1150 1 65 ARG HD3 1 76 LEU MD2 . . 4.740 3.441 2.298 4.684 . 0 0 "[ . 1 . 2]" 2 1151 1 76 LEU MD2 1 77 HIS HB2 . . 4.740 4.471 4.166 4.624 . 0 0 "[ . 1 . 2]" 2 1152 1 19 TYR HA 1 20 GLU H . . 2.760 2.181 2.149 2.266 . 0 0 "[ . 1 . 2]" 2 1153 1 19 TYR HA 1 19 TYR QD . . 3.700 2.841 2.607 3.016 . 0 0 "[ . 1 . 2]" 2 1154 1 19 TYR HA 1 20 GLU HA . . 4.750 4.417 4.397 4.455 . 0 0 "[ . 1 . 2]" 2 1155 1 19 TYR HA 1 20 GLU HB2 . . 4.640 4.484 4.389 4.586 . 0 0 "[ . 1 . 2]" 2 1156 1 18 VAL HB 1 19 TYR HA . . 5.500 5.166 5.043 5.261 . 0 0 "[ . 1 . 2]" 2 1157 1 19 TYR HA 1 20 GLU HB3 . . 5.500 4.953 4.877 5.049 . 0 0 "[ . 1 . 2]" 2 1158 1 16 LYS HD2 1 19 TYR HA . . 4.250 3.187 2.481 4.361 0.111 14 0 "[ . 1 . 2]" 2 1159 1 19 TYR HA 1 107 VAL MG1 . . 5.500 4.853 4.602 5.152 . 0 0 "[ . 1 . 2]" 2 1160 1 83 GLU HA 1 84 VAL MG1 . . 4.230 4.045 3.858 4.262 0.032 19 0 "[ . 1 . 2]" 2 1161 1 114 GLU HA 1 114 GLU QG . . 3.310 2.867 2.407 3.395 0.085 8 0 "[ . 1 . 2]" 2 1162 1 83 GLU HA 1 83 GLU HB3 . . 2.910 2.538 2.506 2.591 . 0 0 "[ . 1 . 2]" 2 1163 1 78 ARG HA 1 78 ARG QD . . 4.270 3.684 2.226 4.207 . 0 0 "[ . 1 . 2]" 2 1164 1 41 LEU H 1 41 LEU MD1 . . 4.400 3.918 3.255 4.270 . 0 0 "[ . 1 . 2]" 2 1165 1 41 LEU HA 1 41 LEU MD1 . . 4.050 3.935 3.882 4.028 . 0 0 "[ . 1 . 2]" 2 1166 1 11 SER HA 1 12 PRO HD2 . . 3.420 2.343 2.034 2.610 . 0 0 "[ . 1 . 2]" 2 1167 1 11 SER HA 1 12 PRO HD3 . . 3.420 2.291 2.252 2.403 . 0 0 "[ . 1 . 2]" 2 1168 1 19 TYR HA 1 107 VAL HA . . 4.750 4.535 4.191 4.727 . 0 0 "[ . 1 . 2]" 2 1169 1 16 LYS HG2 1 19 TYR HA . . 5.500 5.298 4.424 5.485 . 0 0 "[ . 1 . 2]" 2 1170 1 40 ASP H 1 41 LEU MD1 . . 5.500 5.062 3.878 5.506 0.006 4 0 "[ . 1 . 2]" 2 1171 1 41 LEU MD1 1 42 ASP H . . 5.500 4.644 3.600 5.463 . 0 0 "[ . 1 . 2]" 2 1172 1 21 ALA HA 1 109 LEU MD2 . . 4.910 4.279 3.961 4.533 . 0 0 "[ . 1 . 2]" 2 1173 1 23 LEU HA 1 109 LEU MD2 . . 5.500 4.733 4.549 4.939 . 0 0 "[ . 1 . 2]" 2 1174 1 107 VAL HA 1 109 LEU MD2 . . 5.500 4.564 4.179 4.806 . 0 0 "[ . 1 . 2]" 2 1175 1 23 LEU HG 1 109 LEU MD2 . . 4.490 4.273 4.046 4.485 . 0 0 "[ . 1 . 2]" 2 1176 1 109 LEU H 1 109 LEU MD2 . . 4.220 3.608 3.321 3.744 . 0 0 "[ . 1 . 2]" 2 1177 1 23 LEU H 1 109 LEU MD2 . . 4.320 4.001 3.550 4.256 . 0 0 "[ . 1 . 2]" 2 1178 1 109 LEU MD2 1 110 ASN H . . 4.610 3.808 3.530 3.981 . 0 0 "[ . 1 . 2]" 2 1179 1 108 VAL H 1 109 LEU MD2 . . 4.520 4.314 3.943 4.497 . 0 0 "[ . 1 . 2]" 2 1180 1 21 ALA H 1 109 LEU MD2 . . 3.620 2.659 2.191 2.956 . 0 0 "[ . 1 . 2]" 2 1181 1 20 GLU HA 1 109 LEU MD2 . . 4.310 4.015 3.718 4.323 0.013 14 0 "[ . 1 . 2]" 2 1182 1 109 LEU HA 1 109 LEU MD2 . . 3.060 2.118 1.986 2.293 . 0 0 "[ . 1 . 2]" 2 1183 1 109 LEU HB3 1 109 LEU MD2 . . 3.560 2.339 2.226 2.488 . 0 0 "[ . 1 . 2]" 2 1184 1 34 LEU HG 1 109 LEU MD2 . . 4.290 3.868 3.408 4.184 . 0 0 "[ . 1 . 2]" 2 1185 1 89 PHE QE 1 109 LEU MD2 . . 4.700 3.989 3.685 4.506 . 0 0 "[ . 1 . 2]" 2 1186 1 19 TYR QB 1 109 LEU MD2 . . 4.670 4.221 3.983 4.408 . 0 0 "[ . 1 . 2]" 2 1187 1 34 LEU MD1 1 35 GLN HA . . 4.480 3.331 3.046 3.806 . 0 0 "[ . 1 . 2]" 2 1188 1 63 LEU HA 1 77 HIS HA . . 4.960 4.893 4.521 4.971 0.011 18 0 "[ . 1 . 2]" 2 1189 1 81 ARG HA 1 81 ARG QD . . 4.210 3.414 2.677 4.143 . 0 0 "[ . 1 . 2]" 2 1190 1 104 LYS HG2 1 105 ALA H . . 4.910 3.801 3.441 4.208 . 0 0 "[ . 1 . 2]" 2 1191 1 92 MET ME 1 104 LYS HG2 . . 5.290 4.974 4.697 5.296 0.006 3 0 "[ . 1 . 2]" 2 1192 1 104 LYS H 1 104 LYS HG3 . . 4.460 3.065 2.693 3.343 . 0 0 "[ . 1 . 2]" 2 1193 1 104 LYS HA 1 104 LYS HG3 . . 4.090 2.629 2.472 2.911 . 0 0 "[ . 1 . 2]" 2 1194 1 92 MET ME 1 104 LYS HG3 . . 5.290 4.769 4.424 5.054 . 0 0 "[ . 1 . 2]" 2 1195 1 34 LEU MD1 1 73 LEU H . . 4.760 3.780 3.038 4.145 . 0 0 "[ . 1 . 2]" 2 1196 1 34 LEU MD1 1 35 GLN H . . 4.140 2.960 2.426 3.526 . 0 0 "[ . 1 . 2]" 2 1197 1 34 LEU MD1 1 36 LEU H . . 4.230 3.273 2.840 3.890 . 0 0 "[ . 1 . 2]" 2 1198 1 19 TYR QD 1 34 LEU MD1 . . 3.460 2.014 1.864 2.370 . 0 0 "[ . 1 . 2]" 2 1199 1 34 LEU HA 1 34 LEU MD1 . . 4.160 3.620 3.506 3.729 . 0 0 "[ . 1 . 2]" 2 1200 1 19 TYR HA 1 34 LEU MD1 . . 5.260 5.204 4.989 5.292 0.032 2 0 "[ . 1 . 2]" 2 1201 1 34 LEU MD1 1 36 LEU HA . . 4.190 3.334 3.008 3.674 . 0 0 "[ . 1 . 2]" 2 1202 1 19 TYR QB 1 34 LEU MD1 . . 3.650 3.051 2.730 3.403 . 0 0 "[ . 1 . 2]" 2 1203 1 34 LEU MD1 1 73 LEU HB2 . . 4.080 2.777 2.401 3.087 . 0 0 "[ . 1 . 2]" 2 1204 1 81 ARG HA 1 84 VAL HB . . 5.500 5.266 5.073 5.417 . 0 0 "[ . 1 . 2]" 2 1205 1 81 ARG HA 1 111 ILE HB . . 4.620 4.011 3.731 4.280 . 0 0 "[ . 1 . 2]" 2 1206 1 104 LYS H 1 104 LYS HG2 . . 4.460 4.194 3.859 4.413 . 0 0 "[ . 1 . 2]" 2 1207 1 104 LYS HA 1 104 LYS HG2 . . 4.090 2.596 2.346 2.732 . 0 0 "[ . 1 . 2]" 2 1208 1 92 MET HG2 1 104 LYS HG2 . . 4.830 2.936 2.471 3.399 . 0 0 "[ . 1 . 2]" 2 1209 1 104 LYS HG3 1 105 ALA H . . 4.910 4.563 4.371 4.889 . 0 0 "[ . 1 . 2]" 2 1210 1 63 LEU HA 1 77 HIS HD2 . . 5.040 3.596 3.220 4.455 . 0 0 "[ . 1 . 2]" 2 1211 1 63 LEU HA 1 76 LEU HB2 . . 5.500 5.059 4.835 5.357 . 0 0 "[ . 1 . 2]" 2 1212 1 63 LEU HA 1 76 LEU HG . . 5.500 5.127 4.626 5.379 . 0 0 "[ . 1 . 2]" 2 1213 1 81 ARG HA 1 111 ILE HG12 . . 5.500 5.124 4.821 5.475 . 0 0 "[ . 1 . 2]" 2 1214 1 63 LEU HA 1 77 HIS H . . 3.810 3.035 2.318 3.285 . 0 0 "[ . 1 . 2]" 2 1215 1 63 LEU HA 1 77 HIS HB2 . . 3.810 2.191 1.996 2.393 . 0 0 "[ . 1 . 2]" 2 1216 1 63 LEU HA 1 76 LEU HB3 . . 4.290 3.440 3.193 3.685 . 0 0 "[ . 1 . 2]" 2 1217 1 63 LEU HA 1 64 LEU MD1 . . 5.500 5.497 5.411 5.566 0.066 11 0 "[ . 1 . 2]" 2 1218 1 63 LEU HA 1 76 LEU H . . 5.040 4.168 3.357 4.511 . 0 0 "[ . 1 . 2]" 2 1219 1 23 LEU MD2 1 24 ALA H . . 3.250 2.240 1.903 2.489 . 0 0 "[ . 1 . 2]" 2 1220 1 23 LEU MD2 1 27 SER H . . 5.070 4.879 4.457 5.083 0.013 9 0 "[ . 1 . 2]" 2 1221 1 23 LEU MD2 1 27 SER HG . . 3.620 2.893 1.983 3.533 . 0 0 "[ . 1 . 2]" 2 1222 1 23 LEU HA 1 23 LEU MD2 . . 2.970 1.977 1.898 2.108 . 0 0 "[ . 1 . 2]" 2 1223 1 23 LEU MD2 1 33 ILE HA . . 3.980 3.044 2.558 3.547 . 0 0 "[ . 1 . 2]" 2 1224 1 23 LEU MD2 1 27 SER HB2 . . 3.890 3.348 2.850 3.605 . 0 0 "[ . 1 . 2]" 2 1225 1 23 LEU MD2 1 27 SER HB3 . . 3.890 3.202 2.776 3.507 . 0 0 "[ . 1 . 2]" 2 1226 1 23 LEU MD2 1 33 ILE HG12 . . 3.670 2.010 1.792 2.271 . 0 0 "[ . 1 . 2]" 2 1227 1 23 LEU MD2 1 31 THR MG . . 3.380 3.121 2.670 3.379 . 0 0 "[ . 1 . 2]" 2 1228 1 23 LEU HB3 1 23 LEU MD2 . . 3.620 3.178 3.164 3.188 . 0 0 "[ . 1 . 2]" 2 1229 1 112 LYS HG2 1 113 ASP H . . 4.960 4.675 4.569 4.815 . 0 0 "[ . 1 . 2]" 2 1230 1 112 LYS H 1 112 LYS HG2 . . 4.020 2.469 2.186 2.772 . 0 0 "[ . 1 . 2]" 2 1231 1 87 LEU H 1 87 LEU MD2 . . 4.510 3.844 3.476 4.267 . 0 0 "[ . 1 . 2]" 2 1232 1 87 LEU MD2 1 89 PHE QD . . 5.100 4.098 2.676 4.600 . 0 0 "[ . 1 . 2]" 2 1233 1 87 LEU MD2 1 89 PHE QE . . 5.200 4.550 2.643 5.181 . 0 0 "[ . 1 . 2]" 2 1234 1 60 VAL HA 1 87 LEU MD2 . . 4.710 3.628 2.773 4.237 . 0 0 "[ . 1 . 2]" 2 1235 1 87 LEU HB2 1 87 LEU MD2 . . 3.460 3.107 2.611 3.188 . 0 0 "[ . 1 . 2]" 2 1236 1 87 LEU HB3 1 87 LEU MD2 . . 3.460 2.212 2.065 2.337 . 0 0 "[ . 1 . 2]" 2 1237 1 48 GLN HA 1 49 ILE H . . 3.150 2.537 2.144 2.995 . 0 0 "[ . 1 . 2]" 2 1238 1 48 GLN HA 1 49 ILE HB . . 5.500 5.037 4.481 5.522 0.022 11 0 "[ . 1 . 2]" 2 1239 1 23 LEU H 1 112 LYS HG2 . . 4.610 3.728 2.708 4.146 . 0 0 "[ . 1 . 2]" 2 1240 1 22 ASP HA 1 112 LYS HG2 . . 4.760 3.619 3.048 3.979 . 0 0 "[ . 1 . 2]" 2 1241 1 24 ALA HA 1 112 LYS HG2 . . 4.740 4.546 4.285 4.706 . 0 0 "[ . 1 . 2]" 2 1242 1 22 ASP HB2 1 112 LYS HG2 . . 4.700 3.153 2.272 4.686 . 0 0 "[ . 1 . 2]" 2 1243 1 22 ASP HB3 1 112 LYS HG2 . . 4.700 3.845 2.674 4.437 . 0 0 "[ . 1 . 2]" 2 1244 1 23 LEU H 1 112 LYS HG3 . . 4.610 4.455 3.832 4.615 0.005 20 0 "[ . 1 . 2]" 2 1245 1 112 LYS HG3 1 113 ASP H . . 4.960 4.762 4.503 4.962 0.002 17 0 "[ . 1 . 2]" 2 1246 1 112 LYS H 1 112 LYS HG3 . . 4.020 3.618 3.346 3.800 . 0 0 "[ . 1 . 2]" 2 1247 1 22 ASP HA 1 112 LYS HG3 . . 4.760 4.091 3.693 4.532 . 0 0 "[ . 1 . 2]" 2 1248 1 112 LYS HA 1 112 LYS HG3 . . 4.080 3.776 3.745 3.824 . 0 0 "[ . 1 . 2]" 2 1249 1 24 ALA HA 1 112 LYS HG3 . . 4.740 4.473 4.066 4.746 0.006 11 0 "[ . 1 . 2]" 2 1250 1 22 ASP HB2 1 112 LYS HG3 . . 4.700 2.588 1.998 3.766 . 0 0 "[ . 1 . 2]" 2 1251 1 22 ASP HB3 1 112 LYS HG3 . . 4.700 3.374 1.999 4.208 . 0 0 "[ . 1 . 2]" 2 1252 1 16 LYS HG3 1 17 SER H . . 5.200 5.027 4.831 5.177 . 0 0 "[ . 1 . 2]" 2 1253 1 16 LYS H 1 16 LYS HG3 . . 4.240 2.610 2.373 2.865 . 0 0 "[ . 1 . 2]" 2 1254 1 16 LYS HG3 1 19 TYR QE . . 4.650 3.879 3.616 4.329 . 0 0 "[ . 1 . 2]" 2 1255 1 16 LYS H 1 16 LYS HG2 . . 4.210 3.905 3.765 4.138 . 0 0 "[ . 1 . 2]" 2 1256 1 16 LYS HG2 1 19 TYR QD . . 5.500 5.477 4.992 5.572 0.072 18 0 "[ . 1 . 2]" 2 1257 1 101 LYS HA 1 102 THR H . . 3.000 2.178 2.139 2.316 . 0 0 "[ . 1 . 2]" 2 1258 1 101 LYS HA 1 102 THR MG . . 4.210 3.928 3.547 4.211 0.001 3 0 "[ . 1 . 2]" 2 1259 1 37 ARG HA 1 38 ALA H . . 3.050 2.327 2.142 3.171 0.121 18 0 "[ . 1 . 2]" 2 1260 1 37 ARG HA 1 39 ALA H . . 4.670 4.233 3.975 4.642 . 0 0 "[ . 1 . 2]" 2 1261 1 37 ARG HA 1 37 ARG HE . . 4.640 4.135 1.980 4.646 0.006 18 0 "[ . 1 . 2]" 2 1262 1 36 LEU HA 1 37 ARG HA . . 4.720 4.409 4.389 4.488 . 0 0 "[ . 1 . 2]" 2 1263 1 101 LYS HA 1 101 LYS HD2 . . 4.100 3.289 2.045 4.129 0.029 16 0 "[ . 1 . 2]" 2 1264 1 37 ARG HA 1 37 ARG QG . . 3.650 2.556 2.212 3.305 . 0 0 "[ . 1 . 2]" 2 1265 1 30 GLY H 1 76 LEU HA . . 5.500 5.047 4.026 5.518 0.018 5 0 "[ . 1 . 2]" 2 1266 1 75 VAL HA 1 76 LEU HA . . 4.540 4.392 4.380 4.420 . 0 0 "[ . 1 . 2]" 2 1267 1 29 PRO HA 1 76 LEU HA . . 4.360 4.041 3.581 4.384 0.024 14 0 "[ . 1 . 2]" 2 1268 1 29 PRO HB2 1 76 LEU HA . . 4.460 4.020 3.665 4.324 . 0 0 "[ . 1 . 2]" 2 1269 1 65 ARG HB3 1 76 LEU HA . . 4.480 4.111 3.720 4.486 0.006 13 0 "[ . 1 . 2]" 2 1270 1 76 LEU HA 1 76 LEU MD1 . . 2.850 2.057 1.959 2.260 . 0 0 "[ . 1 . 2]" 2 1271 1 60 VAL MG1 1 88 ARG H . . 5.500 4.854 3.984 5.474 . 0 0 "[ . 1 . 2]" 2 1272 1 57 THR H 1 60 VAL MG1 . . 4.670 3.705 3.293 4.352 . 0 0 "[ . 1 . 2]" 2 1273 1 60 VAL MG1 1 61 ARG H . . 4.260 3.325 2.524 3.871 . 0 0 "[ . 1 . 2]" 2 1274 1 60 VAL H 1 60 VAL MG1 . . 3.890 3.743 3.692 3.785 . 0 0 "[ . 1 . 2]" 2 1275 1 60 VAL MG1 1 89 PHE QD . . 3.950 2.385 2.051 2.714 . 0 0 "[ . 1 . 2]" 2 1276 1 60 VAL MG1 1 89 PHE HA . . 5.100 4.446 4.156 4.879 . 0 0 "[ . 1 . 2]" 2 1277 1 60 VAL MG1 1 89 PHE HB2 . . 5.030 3.002 2.437 3.539 . 0 0 "[ . 1 . 2]" 2 1278 1 57 THR MG 1 60 VAL MG1 . . 4.590 3.881 3.326 4.601 0.011 19 0 "[ . 1 . 2]" 2 1279 1 60 VAL MG1 1 89 PHE QE . . 4.890 3.298 2.896 3.609 . 0 0 "[ . 1 . 2]" 2 1280 1 41 LEU HA 1 43 VAL H . . 4.760 3.953 3.050 4.783 0.023 20 0 "[ . 1 . 2]" 2 1281 1 40 ASP HA 1 41 LEU HA . . 5.200 4.678 4.326 5.263 0.063 19 0 "[ . 1 . 2]" 2 1282 1 41 LEU HA 1 42 ASP HA . . 5.500 4.616 4.361 5.304 . 0 0 "[ . 1 . 2]" 2 1283 1 27 SER HG 1 75 VAL MG2 . . 4.600 3.922 2.662 4.607 0.007 13 0 "[ . 1 . 2]" 2 1284 1 75 VAL MG2 1 76 LEU HA . . 5.500 5.534 5.496 5.562 0.062 8 0 "[ . 1 . 2]" 2 1285 1 41 LEU H 1 41 LEU MD2 . . 4.400 3.850 3.558 4.105 . 0 0 "[ . 1 . 2]" 2 1286 1 75 VAL MG2 1 76 LEU H . . 4.280 3.898 3.761 4.005 . 0 0 "[ . 1 . 2]" 2 1287 1 30 GLY H 1 75 VAL MG2 . . 4.930 4.277 3.385 4.933 0.003 16 0 "[ . 1 . 2]" 2 1288 1 33 ILE H 1 75 VAL MG2 . . 5.400 4.701 4.350 5.002 . 0 0 "[ . 1 . 2]" 2 1289 1 75 VAL H 1 75 VAL MG2 . . 3.180 2.289 2.010 2.639 . 0 0 "[ . 1 . 2]" 2 1290 1 31 THR H 1 75 VAL MG2 . . 4.110 3.488 2.920 3.967 . 0 0 "[ . 1 . 2]" 2 1291 1 27 SER H 1 75 VAL MG2 . . 5.500 4.902 4.270 5.503 0.003 17 0 "[ . 1 . 2]" 2 1292 1 75 VAL MG2 1 77 HIS H . . 5.500 4.865 4.627 5.025 . 0 0 "[ . 1 . 2]" 2 1293 1 31 THR HG1 1 75 VAL MG2 . . 4.180 3.904 3.437 4.189 0.009 19 0 "[ . 1 . 2]" 2 1294 1 74 SER HA 1 75 VAL MG2 . . 4.070 3.561 3.407 3.738 . 0 0 "[ . 1 . 2]" 2 1295 1 27 SER HA 1 75 VAL MG2 . . 5.490 4.686 4.328 5.144 . 0 0 "[ . 1 . 2]" 2 1296 1 31 THR HA 1 75 VAL MG2 . . 5.500 4.646 4.395 4.864 . 0 0 "[ . 1 . 2]" 2 1297 1 33 ILE HA 1 75 VAL MG2 . . 5.500 4.668 4.442 4.968 . 0 0 "[ . 1 . 2]" 2 1298 1 31 THR HB 1 75 VAL MG2 . . 3.030 2.402 1.979 2.703 . 0 0 "[ . 1 . 2]" 2 1299 1 74 SER HB2 1 75 VAL MG2 . . 4.700 4.178 3.995 4.334 . 0 0 "[ . 1 . 2]" 2 1300 1 33 ILE HG12 1 75 VAL MG2 . . 3.710 2.960 2.676 3.255 . 0 0 "[ . 1 . 2]" 2 1301 1 23 LEU HG 1 75 VAL MG2 . . 4.180 3.185 2.753 3.530 . 0 0 "[ . 1 . 2]" 2 1302 1 31 THR MG 1 75 VAL MG2 . . 3.610 3.355 2.968 3.613 0.003 19 0 "[ . 1 . 2]" 2 1303 1 76 LEU H 1 76 LEU MD1 . . 4.690 4.246 4.142 4.326 . 0 0 "[ . 1 . 2]" 2 1304 1 40 ASP H 1 41 LEU MD2 . . 5.500 4.955 3.794 5.493 . 0 0 "[ . 1 . 2]" 2 1305 1 41 LEU MD2 1 42 ASP H . . 5.500 4.694 4.062 4.961 . 0 0 "[ . 1 . 2]" 2 1306 1 76 LEU MD1 1 77 HIS H . . 4.850 4.596 4.486 4.705 . 0 0 "[ . 1 . 2]" 2 1307 1 65 ARG HA 1 76 LEU MD1 . . 4.170 4.041 3.828 4.177 0.007 20 0 "[ . 1 . 2]" 2 1308 1 41 LEU HA 1 41 LEU MD2 . . 4.050 2.335 2.165 2.548 . 0 0 "[ . 1 . 2]" 2 1309 1 64 LEU MD2 1 76 LEU H . . 3.770 3.459 3.289 3.771 0.001 15 0 "[ . 1 . 2]" 2 1310 1 64 LEU MD2 1 65 ARG H . . 3.810 3.647 3.279 3.847 0.037 7 0 "[ . 1 . 2]" 2 1311 1 64 LEU H 1 64 LEU MD2 . . 4.370 4.170 3.944 4.333 . 0 0 "[ . 1 . 2]" 2 1312 1 64 LEU HA 1 64 LEU MD2 . . 3.110 2.464 2.349 2.650 . 0 0 "[ . 1 . 2]" 2 1313 1 63 LEU HA 1 64 LEU MD2 . . 5.500 5.091 4.393 5.357 . 0 0 "[ . 1 . 2]" 2 1314 1 64 LEU MD2 1 75 VAL HA . . 3.280 2.172 1.977 2.446 . 0 0 "[ . 1 . 2]" 2 1315 1 64 LEU MD2 1 75 VAL HB . . 4.800 4.406 4.121 4.767 . 0 0 "[ . 1 . 2]" 2 1316 1 64 LEU HB2 1 64 LEU MD2 . . 3.330 3.130 3.117 3.159 . 0 0 "[ . 1 . 2]" 2 1317 1 64 LEU MD2 1 76 LEU HB3 . . 5.400 5.128 4.968 5.399 . 0 0 "[ . 1 . 2]" 2 1318 1 64 LEU HB3 1 64 LEU MD2 . . 3.330 2.153 2.050 2.227 . 0 0 "[ . 1 . 2]" 2 1319 1 64 LEU MD2 1 75 VAL MG2 . . 2.940 2.485 1.996 2.895 . 0 0 "[ . 1 . 2]" 2 1320 1 64 LEU MD2 1 107 VAL MG1 . . 5.380 5.241 5.065 5.382 0.002 7 0 "[ . 1 . 2]" 2 1321 1 90 THR HB 1 91 VAL MG1 . . 5.080 5.048 4.920 5.099 0.019 17 0 "[ . 1 . 2]" 2 1322 1 67 ASP HA 1 68 GLU H . . 2.810 2.295 2.140 2.504 . 0 0 "[ . 1 . 2]" 2 1323 1 67 ASP HA 1 69 THR H . . 4.280 3.982 3.609 4.292 0.012 16 0 "[ . 1 . 2]" 2 1324 1 67 ASP HA 1 68 GLU HA . . 4.590 4.406 4.367 4.454 . 0 0 "[ . 1 . 2]" 2 1325 1 67 ASP HA 1 71 GLY H . . 5.090 4.574 4.095 4.839 . 0 0 "[ . 1 . 2]" 2 1326 1 91 VAL MG1 1 92 MET H . . 3.850 3.809 3.712 3.861 0.011 19 0 "[ . 1 . 2]" 2 1327 1 91 VAL H 1 91 VAL MG1 . . 3.920 2.991 2.800 3.217 . 0 0 "[ . 1 . 2]" 2 1328 1 54 GLY H 1 91 VAL MG1 . . 3.720 3.542 3.401 3.706 . 0 0 "[ . 1 . 2]" 2 1329 1 90 THR H 1 91 VAL MG1 . . 4.900 4.329 4.179 4.656 . 0 0 "[ . 1 . 2]" 2 1330 1 91 VAL MG1 1 105 ALA H . . 5.440 4.735 4.575 4.928 . 0 0 "[ . 1 . 2]" 2 1331 1 53 PHE QD 1 91 VAL MG1 . . 3.750 3.156 2.568 3.679 . 0 0 "[ . 1 . 2]" 2 1332 1 89 PHE QD 1 91 VAL MG1 . . 3.190 2.573 2.401 2.847 . 0 0 "[ . 1 . 2]" 2 1333 1 89 PHE QE 1 91 VAL MG1 . . 3.150 2.531 2.195 2.902 . 0 0 "[ . 1 . 2]" 2 1334 1 90 THR HA 1 91 VAL MG1 . . 4.700 3.663 3.525 3.856 . 0 0 "[ . 1 . 2]" 2 1335 1 53 PHE HA 1 91 VAL MG1 . . 3.670 3.057 2.751 3.249 . 0 0 "[ . 1 . 2]" 2 1336 1 51 TYR HB3 1 91 VAL MG1 . . 4.690 4.333 3.982 4.630 . 0 0 "[ . 1 . 2]" 2 1337 1 66 LEU MD1 1 73 LEU MD1 . . 4.880 2.513 1.763 4.745 . 0 0 "[ . 1 . 2]" 2 1338 1 63 LEU MD2 1 79 ILE HA . . 3.890 3.659 3.180 3.913 0.023 17 0 "[ . 1 . 2]" 2 1339 1 63 LEU MD2 1 79 ILE HB . . 5.360 4.897 4.539 5.362 0.002 12 0 "[ . 1 . 2]" 2 1340 1 63 LEU HB3 1 63 LEU MD2 . . 3.500 2.305 2.099 2.424 . 0 0 "[ . 1 . 2]" 2 1341 1 52 VAL H 1 66 LEU MD1 . . 5.500 5.132 3.356 5.521 0.021 14 0 "[ . 1 . 2]" 2 1342 1 66 LEU H 1 66 LEU MD1 . . 4.590 4.352 3.618 4.566 . 0 0 "[ . 1 . 2]" 2 1343 1 51 TYR QD 1 66 LEU MD1 . . 4.710 4.060 3.754 4.237 . 0 0 "[ . 1 . 2]" 2 1344 1 66 LEU MD1 1 68 GLU HA . . 4.860 4.224 2.742 4.711 . 0 0 "[ . 1 . 2]" 2 1345 1 66 LEU HA 1 66 LEU MD1 . . 4.440 2.448 2.055 3.563 . 0 0 "[ . 1 . 2]" 2 1346 1 66 LEU MD1 1 67 ASP HA . . 5.200 4.291 3.407 4.748 . 0 0 "[ . 1 . 2]" 2 1347 1 51 TYR HB2 1 66 LEU MD1 . . 4.080 2.790 2.226 3.086 . 0 0 "[ . 1 . 2]" 2 1348 1 51 TYR HB3 1 66 LEU MD1 . . 3.900 3.008 2.581 3.647 . 0 0 "[ . 1 . 2]" 2 1349 1 36 LEU MD1 1 66 LEU MD1 . . 5.290 2.274 1.721 3.881 . 0 0 "[ . 1 . 2]" 2 1350 1 36 LEU MD2 1 66 LEU MD1 . . 5.290 3.652 1.915 5.255 . 0 0 "[ . 1 . 2]" 2 1351 1 21 ALA MB 1 23 LEU H . . 5.320 4.540 4.125 4.865 . 0 0 "[ . 1 . 2]" 2 1352 1 21 ALA MB 1 110 ASN H . . 5.500 4.740 4.450 5.115 . 0 0 "[ . 1 . 2]" 2 1353 1 21 ALA H 1 21 ALA MB . . 3.390 2.485 2.343 2.637 . 0 0 "[ . 1 . 2]" 2 1354 1 20 GLU HA 1 21 ALA MB . . 4.280 4.009 3.945 4.115 . 0 0 "[ . 1 . 2]" 2 1355 1 21 ALA MB 1 22 ASP HA . . 4.360 4.094 3.886 4.342 . 0 0 "[ . 1 . 2]" 2 1356 1 21 ALA MB 1 109 LEU HA . . 4.570 3.770 3.362 4.058 . 0 0 "[ . 1 . 2]" 2 1357 1 21 ALA MB 1 34 LEU HA . . 5.420 5.037 4.688 5.433 0.013 11 0 "[ . 1 . 2]" 2 1358 1 19 TYR QB 1 21 ALA MB . . 4.250 3.932 3.758 4.104 . 0 0 "[ . 1 . 2]" 2 1359 1 63 LEU H 1 63 LEU MD2 . . 4.410 4.147 3.235 4.254 . 0 0 "[ . 1 . 2]" 2 1360 1 63 LEU HA 1 63 LEU MD2 . . 4.020 3.853 2.120 3.986 . 0 0 "[ . 1 . 2]" 2 1361 1 63 LEU HB2 1 63 LEU MD2 . . 3.500 2.413 2.256 3.190 . 0 0 "[ . 1 . 2]" 2 1362 1 34 LEU HA 1 72 TRP HE3 . . 4.630 4.417 4.160 4.539 . 0 0 "[ . 1 . 2]" 2 1363 1 32 PRO HB2 1 34 LEU HA . . 5.360 5.011 4.803 5.164 . 0 0 "[ . 1 . 2]" 2 1364 1 34 LEU HA 1 35 GLN HB2 . . 4.820 4.468 4.286 4.633 . 0 0 "[ . 1 . 2]" 2 1365 1 42 ASP HA 1 43 VAL MG2 . . 5.480 4.029 3.058 5.605 0.125 17 0 "[ . 1 . 2]" 2 1366 1 96 ARG HA 1 96 ARG QD . . 4.310 3.850 2.034 4.343 0.033 2 0 "[ . 1 . 2]" 2 1367 1 34 LEU HA 1 35 GLN H . . 2.880 2.430 2.260 2.593 . 0 0 "[ . 1 . 2]" 2 1368 1 34 LEU HA 1 72 TRP HZ3 . . 3.680 3.532 3.178 3.688 0.008 3 0 "[ . 1 . 2]" 2 1369 1 34 LEU HA 1 34 LEU MD2 . . 4.260 4.046 3.986 4.099 . 0 0 "[ . 1 . 2]" 2 1370 1 34 LEU HA 1 35 GLN HB3 . . 4.820 4.550 4.387 4.731 . 0 0 "[ . 1 . 2]" 2 1371 1 90 THR MG 1 92 MET HG2 . . 4.640 4.333 4.051 4.465 . 0 0 "[ . 1 . 2]" 2 1372 1 14 PHE QD 1 36 LEU MD2 . . 5.470 3.405 2.409 5.065 . 0 0 "[ . 1 . 2]" 2 1373 1 14 PHE QE 1 36 LEU MD2 . . 4.240 2.903 1.802 4.089 . 0 0 "[ . 1 . 2]" 2 1374 1 14 PHE HZ 1 36 LEU MD2 . . 5.270 3.834 2.396 5.314 0.044 20 0 "[ . 1 . 2]" 2 1375 1 19 TYR QE 1 36 LEU MD2 . . 5.500 3.304 2.417 5.220 . 0 0 "[ . 1 . 2]" 2 1376 1 36 LEU HA 1 36 LEU MD2 . . 4.340 2.758 1.973 3.785 . 0 0 "[ . 1 . 2]" 2 1377 1 36 LEU HB3 1 36 LEU MD2 . . 3.510 2.259 2.034 3.176 . 0 0 "[ . 1 . 2]" 2 1378 1 36 LEU H 1 36 LEU MD2 . . 4.280 3.723 2.134 4.309 0.029 2 0 "[ . 1 . 2]" 2 1379 1 36 LEU MD2 1 66 LEU MD2 . . 5.290 4.135 2.840 4.904 . 0 0 "[ . 1 . 2]" 2 1380 1 36 LEU HA 1 37 ARG H . . 3.050 2.171 2.139 2.281 . 0 0 "[ . 1 . 2]" 2 1381 1 90 THR MG 1 91 VAL H . . 3.410 2.034 1.878 2.249 . 0 0 "[ . 1 . 2]" 2 1382 1 54 GLY H 1 90 THR MG . . 4.650 4.334 3.926 4.650 0.000 15 0 "[ . 1 . 2]" 2 1383 1 90 THR MG 1 105 ALA H . . 3.340 2.049 1.846 2.278 . 0 0 "[ . 1 . 2]" 2 1384 1 55 ALA H 1 90 THR MG . . 4.330 3.206 2.804 3.583 . 0 0 "[ . 1 . 2]" 2 1385 1 90 THR MG 1 104 LYS HA . . 4.540 2.801 2.617 3.041 . 0 0 "[ . 1 . 2]" 2 1386 1 90 THR HA 1 90 THR MG . . 3.180 2.234 2.071 2.334 . 0 0 "[ . 1 . 2]" 2 1387 1 90 THR MG 1 106 THR HA . . 3.400 2.909 2.596 3.296 . 0 0 "[ . 1 . 2]" 2 1388 1 54 GLY HA3 1 90 THR MG . . 4.150 3.514 3.046 3.775 . 0 0 "[ . 1 . 2]" 2 1389 1 90 THR MG 1 92 MET HG3 . . 4.600 4.146 3.749 4.374 . 0 0 "[ . 1 . 2]" 2 1390 1 90 THR MG 1 91 VAL MG2 . . 4.250 3.340 3.126 3.448 . 0 0 "[ . 1 . 2]" 2 1391 1 19 TYR QE 1 36 LEU HA . . 4.340 2.345 1.966 2.754 . 0 0 "[ . 1 . 2]" 2 1392 1 36 LEU HA 1 36 LEU MD1 . . 4.340 3.495 1.906 3.974 . 0 0 "[ . 1 . 2]" 2 1393 1 14 PHE QE 1 36 LEU HA . . 4.690 4.265 3.433 4.722 0.032 18 0 "[ . 1 . 2]" 2 1394 1 57 THR MG 1 58 GLU H . . 4.220 3.770 3.556 3.959 . 0 0 "[ . 1 . 2]" 2 1395 1 57 THR H 1 57 THR MG . . 3.190 2.124 1.860 2.665 . 0 0 "[ . 1 . 2]" 2 1396 1 57 THR MG 1 89 PHE QD . . 5.370 5.103 4.748 5.374 0.004 5 0 "[ . 1 . 2]" 2 1397 1 57 THR HA 1 57 THR MG . . 3.210 2.929 2.349 3.206 . 0 0 "[ . 1 . 2]" 2 1398 1 57 THR MG 1 59 SER QB . . 4.770 3.233 1.949 4.469 . 0 0 "[ . 1 . 2]" 2 1399 1 75 VAL MG1 1 76 LEU H . . 3.540 1.992 1.864 2.166 . 0 0 "[ . 1 . 2]" 2 1400 1 30 GLY H 1 75 VAL MG1 . . 3.880 3.516 2.685 3.910 0.030 3 0 "[ . 1 . 2]" 2 1401 1 75 VAL H 1 75 VAL MG1 . . 4.070 3.777 3.764 3.797 . 0 0 "[ . 1 . 2]" 2 1402 1 31 THR H 1 75 VAL MG1 . . 4.330 3.892 3.386 4.309 . 0 0 "[ . 1 . 2]" 2 1403 1 75 VAL MG1 1 77 HIS H . . 3.410 2.339 2.139 2.519 . 0 0 "[ . 1 . 2]" 2 1404 1 75 VAL MG1 1 77 HIS HA . . 4.520 3.795 3.610 3.949 . 0 0 "[ . 1 . 2]" 2 1405 1 63 LEU HA 1 75 VAL MG1 . . 4.740 4.392 3.499 4.739 . 0 0 "[ . 1 . 2]" 2 1406 1 75 VAL MG1 1 76 LEU HA . . 4.930 3.674 3.506 3.765 . 0 0 "[ . 1 . 2]" 2 1407 1 75 VAL MG1 1 78 ARG HA . . 3.850 3.530 3.274 3.709 . 0 0 "[ . 1 . 2]" 2 1408 1 75 VAL HA 1 75 VAL MG1 . . 3.090 2.360 2.284 2.470 . 0 0 "[ . 1 . 2]" 2 1409 1 29 PRO HA 1 75 VAL MG1 . . 3.160 2.064 1.919 2.269 . 0 0 "[ . 1 . 2]" 2 1410 1 75 VAL MG1 1 79 ILE HG13 . . 4.170 2.610 2.239 3.442 . 0 0 "[ . 1 . 2]" 2 1411 1 29 PRO HB3 1 75 VAL MG1 . . 4.270 3.787 3.442 3.984 . 0 0 "[ . 1 . 2]" 2 1412 1 75 VAL MG1 1 76 LEU HB2 . . 4.770 4.448 4.354 4.574 . 0 0 "[ . 1 . 2]" 2 1413 1 16 LYS HA 1 17 SER H . . 2.970 2.198 2.140 2.332 . 0 0 "[ . 1 . 2]" 2 1414 1 16 LYS HA 1 18 VAL H . . 4.250 4.078 3.601 4.253 0.003 2 0 "[ . 1 . 2]" 2 1415 1 16 LYS HA 1 17 SER QB . . 4.680 4.399 4.110 4.617 . 0 0 "[ . 1 . 2]" 2 1416 1 16 LYS HA 1 16 LYS HG3 . . 3.550 3.052 2.833 3.167 . 0 0 "[ . 1 . 2]" 2 1417 1 16 LYS HA 1 16 LYS HG2 . . 3.900 2.850 2.672 3.741 . 0 0 "[ . 1 . 2]" 2 1418 1 69 THR MG 1 70 SER H . . 4.050 2.361 1.874 3.793 . 0 0 "[ . 1 . 2]" 2 1419 1 69 THR H 1 69 THR MG . . 3.730 2.339 1.835 3.772 0.042 20 0 "[ . 1 . 2]" 2 1420 1 68 GLU QG 1 69 THR MG . . 4.760 4.229 3.543 4.775 0.015 16 0 "[ . 1 . 2]" 2 1421 1 53 PHE QE 1 65 ARG HA . . 4.420 3.135 2.520 4.422 0.002 1 0 "[ . 1 . 2]" 2 1422 1 65 ARG HA 1 66 LEU H . . 2.890 2.183 2.145 2.242 . 0 0 "[ . 1 . 2]" 2 1423 1 53 PHE HZ 1 65 ARG HA . . 4.780 4.067 3.523 4.759 . 0 0 "[ . 1 . 2]" 2 1424 1 40 ASP HA 1 41 LEU HG . . 4.410 4.318 3.991 4.422 0.012 4 0 "[ . 1 . 2]" 2 1425 1 107 VAL MG1 1 109 LEU H . . 4.430 3.919 3.252 4.323 . 0 0 "[ . 1 . 2]" 2 1426 1 107 VAL MG1 1 108 VAL H . . 3.410 3.110 2.732 3.368 . 0 0 "[ . 1 . 2]" 2 1427 1 89 PHE HZ 1 107 VAL MG1 . . 3.490 2.187 1.991 2.497 . 0 0 "[ . 1 . 2]" 2 1428 1 89 PHE QE 1 107 VAL MG1 . . 3.660 2.673 2.318 2.887 . 0 0 "[ . 1 . 2]" 2 1429 1 107 VAL HA 1 107 VAL MG1 . . 3.310 2.404 2.314 2.470 . 0 0 "[ . 1 . 2]" 2 1430 1 19 TYR QB 1 107 VAL MG1 . . 3.680 2.640 2.304 2.914 . 0 0 "[ . 1 . 2]" 2 1431 1 107 VAL MG1 1 109 LEU HG . . 3.320 2.250 2.019 2.576 . 0 0 "[ . 1 . 2]" 2 1432 1 107 VAL MG1 1 109 LEU MD1 . . 3.610 2.762 2.517 3.019 . 0 0 "[ . 1 . 2]" 2 1433 1 107 VAL MG1 1 109 LEU MD2 . . 3.100 2.289 2.043 2.407 . 0 0 "[ . 1 . 2]" 2 1434 1 19 TYR H 1 107 VAL MG1 . . 4.690 4.461 4.217 4.650 . 0 0 "[ . 1 . 2]" 2 1435 1 19 TYR QD 1 107 VAL MG1 . . 4.540 4.143 3.491 4.503 . 0 0 "[ . 1 . 2]" 2 1436 1 20 GLU HA 1 107 VAL MG1 . . 4.550 4.207 3.749 4.551 0.001 18 0 "[ . 1 . 2]" 2 1437 1 34 LEU MD2 1 107 VAL MG1 . . 3.310 2.585 1.937 2.968 . 0 0 "[ . 1 . 2]" 2 1438 1 19 TYR H 1 107 VAL MG2 . . 4.380 3.201 2.837 3.439 . 0 0 "[ . 1 . 2]" 2 1439 1 91 VAL H 1 107 VAL MG2 . . 4.550 3.602 3.355 3.930 . 0 0 "[ . 1 . 2]" 2 1440 1 107 VAL H 1 107 VAL MG2 . . 3.530 2.845 2.601 3.059 . 0 0 "[ . 1 . 2]" 2 1441 1 107 VAL MG2 1 108 VAL H . . 4.190 4.166 4.084 4.205 0.015 19 0 "[ . 1 . 2]" 2 1442 1 89 PHE QD 1 107 VAL MG2 . . 3.920 3.354 2.927 3.608 . 0 0 "[ . 1 . 2]" 2 1443 1 89 PHE HZ 1 107 VAL MG2 . . 4.500 3.769 3.463 4.101 . 0 0 "[ . 1 . 2]" 2 1444 1 89 PHE QE 1 107 VAL MG2 . . 3.620 2.510 2.163 2.749 . 0 0 "[ . 1 . 2]" 2 1445 1 19 TYR QD 1 107 VAL MG2 . . 3.700 3.538 3.164 3.702 0.002 13 0 "[ . 1 . 2]" 2 1446 1 90 THR HA 1 107 VAL MG2 . . 4.590 3.509 3.056 3.986 . 0 0 "[ . 1 . 2]" 2 1447 1 107 VAL HA 1 107 VAL MG2 . . 3.210 2.314 2.226 2.411 . 0 0 "[ . 1 . 2]" 2 1448 1 19 TYR HA 1 107 VAL MG2 . . 4.900 4.645 4.453 4.854 . 0 0 "[ . 1 . 2]" 2 1449 1 19 TYR QB 1 107 VAL MG2 . . 3.290 2.016 1.878 2.273 . 0 0 "[ . 1 . 2]" 2 1450 1 91 VAL HB 1 107 VAL MG2 . . 4.860 4.464 4.147 4.684 . 0 0 "[ . 1 . 2]" 2 1451 1 107 VAL MG2 1 109 LEU HG . . 5.120 4.921 4.686 5.088 . 0 0 "[ . 1 . 2]" 2 1452 1 107 VAL MG2 1 109 LEU MD2 . . 4.450 4.350 4.163 4.441 . 0 0 "[ . 1 . 2]" 2 1453 1 34 LEU MD2 1 107 VAL MG2 . . 3.810 3.581 3.167 3.833 0.023 11 0 "[ . 1 . 2]" 2 1454 1 91 VAL MG2 1 107 VAL MG2 . . 2.950 2.407 2.149 2.629 . 0 0 "[ . 1 . 2]" 2 1455 1 51 TYR HA 1 52 VAL MG1 . . 4.430 4.057 3.849 4.274 . 0 0 "[ . 1 . 2]" 2 1456 1 52 VAL H 1 52 VAL MG1 . . 3.560 2.854 2.572 3.092 . 0 0 "[ . 1 . 2]" 2 1457 1 52 VAL MG1 1 53 PHE H . . 3.640 3.556 3.432 3.638 . 0 0 "[ . 1 . 2]" 2 1458 1 52 VAL MG1 1 94 ARG HE . . 4.610 3.400 1.887 4.620 0.010 17 0 "[ . 1 . 2]" 2 1459 1 52 VAL MG1 1 68 GLU HA . . 4.720 4.214 3.714 4.716 . 0 0 "[ . 1 . 2]" 2 1460 1 52 VAL HA 1 52 VAL MG1 . . 2.980 2.322 2.223 2.393 . 0 0 "[ . 1 . 2]" 2 1461 1 52 VAL MG1 1 53 PHE HB2 . . 5.230 5.218 5.118 5.253 0.023 17 0 "[ . 1 . 2]" 2 1462 1 52 VAL MG1 1 68 GLU QG . . 3.720 3.453 2.283 3.717 . 0 0 "[ . 1 . 2]" 2 1463 1 84 VAL H 1 84 VAL MG1 . . 3.530 3.141 3.003 3.319 . 0 0 "[ . 1 . 2]" 2 1464 1 92 MET HG2 1 102 THR MG . . 4.490 4.320 4.065 4.496 0.006 17 0 "[ . 1 . 2]" 2 1465 1 102 THR H 1 102 THR MG . . 3.560 2.779 2.219 3.258 . 0 0 "[ . 1 . 2]" 2 1466 1 95 ASP H 1 102 THR MG . . 4.470 4.196 3.725 4.492 0.022 17 0 "[ . 1 . 2]" 2 1467 1 102 THR HA 1 102 THR MG . . 3.250 2.306 2.163 2.467 . 0 0 "[ . 1 . 2]" 2 1468 1 94 ARG HA 1 102 THR MG . . 3.440 2.720 1.972 3.431 . 0 0 "[ . 1 . 2]" 2 1469 1 94 ARG HD2 1 102 THR MG . . 4.220 3.555 2.856 4.224 0.004 8 0 "[ . 1 . 2]" 2 1470 1 84 VAL MG1 1 85 ASN H . . 3.970 3.861 3.620 3.969 . 0 0 "[ . 1 . 2]" 2 1471 1 83 GLU H 1 84 VAL MG1 . . 5.030 4.754 4.612 4.907 . 0 0 "[ . 1 . 2]" 2 1472 1 84 VAL MG1 1 86 GLN H . . 4.790 4.422 4.159 4.619 . 0 0 "[ . 1 . 2]" 2 1473 1 81 ARG HA 1 84 VAL MG1 . . 5.500 5.481 5.333 5.538 0.038 13 0 "[ . 1 . 2]" 2 1474 1 108 VAL MG1 1 110 ASN HD21 . . 4.530 3.048 2.503 4.021 . 0 0 "[ . 1 . 2]" 2 1475 1 108 VAL MG1 1 109 LEU HA . . 4.610 3.792 3.536 4.004 . 0 0 "[ . 1 . 2]" 2 1476 1 88 ARG QD 1 108 VAL MG1 . . 4.580 4.109 2.848 4.585 0.005 8 0 "[ . 1 . 2]" 2 1477 1 35 GLN HA 1 36 LEU H . . 3.270 2.160 2.139 2.226 . 0 0 "[ . 1 . 2]" 2 1478 1 35 GLN HA 1 72 TRP HE3 . . 4.790 3.814 3.203 4.215 . 0 0 "[ . 1 . 2]" 2 1479 1 35 GLN HA 1 35 GLN HG2 . . 4.120 3.421 2.893 3.908 . 0 0 "[ . 1 . 2]" 2 1480 1 35 GLN HA 1 35 GLN HG3 . . 4.120 2.726 2.507 3.329 . 0 0 "[ . 1 . 2]" 2 1481 1 106 THR MG 1 107 VAL H . . 3.210 2.406 1.923 2.906 . 0 0 "[ . 1 . 2]" 2 1482 1 106 THR MG 1 108 VAL H . . 5.100 3.603 3.337 3.875 . 0 0 "[ . 1 . 2]" 2 1483 1 88 ARG HA 1 106 THR MG . . 4.430 4.100 3.683 4.429 . 0 0 "[ . 1 . 2]" 2 1484 1 106 THR HA 1 106 THR MG . . 3.100 2.326 2.203 2.446 . 0 0 "[ . 1 . 2]" 2 1485 1 43 VAL H 1 43 VAL MG1 . . 4.280 3.051 1.849 3.957 . 0 0 "[ . 1 . 2]" 2 1486 1 45 VAL H 1 45 VAL MG1 . . 4.540 2.823 1.945 3.842 . 0 0 "[ . 1 . 2]" 2 1487 1 108 VAL MG1 1 109 LEU H . . 3.540 2.916 2.650 3.317 . 0 0 "[ . 1 . 2]" 2 1488 1 108 VAL H 1 108 VAL MG1 . . 3.990 3.796 3.771 3.835 . 0 0 "[ . 1 . 2]" 2 1489 1 86 GLN HE21 1 108 VAL MG1 . . 3.780 2.691 1.937 3.471 . 0 0 "[ . 1 . 2]" 2 1490 1 108 VAL MG1 1 110 ASN HD22 . . 4.040 2.616 2.226 3.158 . 0 0 "[ . 1 . 2]" 2 1491 1 86 GLN HE22 1 108 VAL MG1 . . 3.780 3.170 2.687 3.682 . 0 0 "[ . 1 . 2]" 2 1492 1 20 GLU HA 1 108 VAL MG1 . . 4.560 3.942 3.569 4.264 . 0 0 "[ . 1 . 2]" 2 1493 1 88 ARG HA 1 108 VAL MG1 . . 4.950 4.329 4.009 4.662 . 0 0 "[ . 1 . 2]" 2 1494 1 108 VAL HA 1 108 VAL MG1 . . 3.240 2.379 2.264 2.461 . 0 0 "[ . 1 . 2]" 2 1495 1 88 ARG QG 1 108 VAL MG1 . . 3.740 3.188 2.490 3.648 . 0 0 "[ . 1 . 2]" 2 1496 1 20 GLU HG3 1 108 VAL MG1 . . 3.640 2.802 2.419 3.065 . 0 0 "[ . 1 . 2]" 2 1497 1 93 ALA MB 1 94 ARG H . . 3.770 3.435 3.239 3.571 . 0 0 "[ . 1 . 2]" 2 1498 1 93 ALA MB 1 103 ASP H . . 4.090 3.022 2.596 3.499 . 0 0 "[ . 1 . 2]" 2 1499 1 93 ALA H 1 93 ALA MB . . 3.510 2.531 2.406 2.656 . 0 0 "[ . 1 . 2]" 2 1500 1 14 PHE QD 1 93 ALA MB . . 4.570 3.734 3.366 4.079 . 0 0 "[ . 1 . 2]" 2 1501 1 14 PHE QE 1 93 ALA MB . . 3.890 2.623 2.257 3.083 . 0 0 "[ . 1 . 2]" 2 1502 1 14 PHE HZ 1 93 ALA MB . . 3.700 2.512 2.126 2.942 . 0 0 "[ . 1 . 2]" 2 1503 1 51 TYR QD 1 93 ALA MB . . 3.800 2.827 2.330 3.445 . 0 0 "[ . 1 . 2]" 2 1504 1 51 TYR QE 1 93 ALA MB . . 3.770 3.304 2.439 3.778 0.008 19 0 "[ . 1 . 2]" 2 1505 1 92 MET HA 1 93 ALA MB . . 4.550 3.806 3.731 3.888 . 0 0 "[ . 1 . 2]" 2 1506 1 93 ALA MB 1 102 THR HA . . 4.910 4.062 3.788 4.367 . 0 0 "[ . 1 . 2]" 2 1507 1 93 ALA MB 1 103 ASP HB3 . . 4.970 3.522 2.404 4.474 . 0 0 "[ . 1 . 2]" 2 1508 1 38 ALA MB 1 93 ALA MB . . 3.890 3.430 2.778 3.898 0.008 14 0 "[ . 1 . 2]" 2 1509 1 23 LEU HA 1 24 ALA H . . 2.760 2.166 2.140 2.251 . 0 0 "[ . 1 . 2]" 2 1510 1 23 LEU HA 1 23 LEU HG . . 4.020 3.655 3.607 3.731 . 0 0 "[ . 1 . 2]" 2 1511 1 23 LEU HA 1 24 ALA MB . . 3.970 3.937 3.905 3.978 0.008 15 0 "[ . 1 . 2]" 2 1512 1 35 GLN HA 1 73 LEU H . . 3.960 2.818 2.469 3.248 . 0 0 "[ . 1 . 2]" 2 1513 1 39 ALA MB 1 41 LEU H . . 5.460 3.756 2.546 5.223 . 0 0 "[ . 1 . 2]" 2 1514 1 43 VAL MG1 1 44 GLY H . . 4.350 3.955 2.451 4.330 . 0 0 "[ . 1 . 2]" 2 1515 1 42 ASP HA 1 43 VAL MG1 . . 5.480 4.586 3.376 5.607 0.127 13 0 "[ . 1 . 2]" 2 1516 1 43 VAL HA 1 43 VAL MG1 . . 3.400 2.462 2.096 3.198 . 0 0 "[ . 1 . 2]" 2 1517 1 45 VAL MG1 1 47 GLY H . . 4.760 2.871 1.892 4.684 . 0 0 "[ . 1 . 2]" 2 1518 1 18 VAL MG1 1 19 TYR H . . 4.390 3.139 2.867 3.352 . 0 0 "[ . 1 . 2]" 2 1519 1 18 VAL MG1 1 106 THR H . . 4.390 4.171 3.915 4.397 0.007 11 0 "[ . 1 . 2]" 2 1520 1 18 VAL H 1 18 VAL MG1 . . 4.050 3.896 3.824 3.950 . 0 0 "[ . 1 . 2]" 2 1521 1 39 ALA H 1 39 ALA MB . . 3.190 2.416 2.035 2.884 . 0 0 "[ . 1 . 2]" 2 1522 1 39 ALA MB 1 40 ASP HA . . 4.600 4.101 3.805 4.383 . 0 0 "[ . 1 . 2]" 2 1523 1 15 GLU HA 1 39 ALA MB . . 4.520 4.112 3.136 4.707 0.187 18 0 "[ . 1 . 2]" 2 1524 1 19 TYR H 1 105 ALA MB . . 4.750 3.669 3.371 3.907 . 0 0 "[ . 1 . 2]" 2 1525 1 105 ALA H 1 105 ALA MB . . 3.540 2.562 2.323 2.702 . 0 0 "[ . 1 . 2]" 2 1526 1 14 PHE QD 1 105 ALA MB . . 3.610 2.128 1.915 2.408 . 0 0 "[ . 1 . 2]" 2 1527 1 14 PHE QE 1 105 ALA MB . . 3.940 2.780 2.316 3.049 . 0 0 "[ . 1 . 2]" 2 1528 1 14 PHE HZ 1 105 ALA MB . . 4.650 3.918 3.477 4.223 . 0 0 "[ . 1 . 2]" 2 1529 1 19 TYR QD 1 105 ALA MB . . 3.550 3.236 2.990 3.489 . 0 0 "[ . 1 . 2]" 2 1530 1 17 SER QB 1 105 ALA MB . . 5.500 5.078 4.861 5.373 . 0 0 "[ . 1 . 2]" 2 1531 1 14 PHE HB2 1 105 ALA MB . . 4.190 2.716 2.022 3.138 . 0 0 "[ . 1 . 2]" 2 1532 1 14 PHE HB3 1 105 ALA MB . . 4.190 3.319 2.928 3.588 . 0 0 "[ . 1 . 2]" 2 1533 1 91 VAL HB 1 105 ALA MB . . 4.610 4.412 4.124 4.610 . 0 0 "[ . 1 . 2]" 2 1534 1 60 VAL MG2 1 88 ARG H . . 5.500 3.647 3.173 4.164 . 0 0 "[ . 1 . 2]" 2 1535 1 60 VAL MG2 1 61 ARG H . . 4.260 3.946 3.669 4.200 . 0 0 "[ . 1 . 2]" 2 1536 1 60 VAL H 1 60 VAL MG2 . . 3.890 2.471 2.012 2.824 . 0 0 "[ . 1 . 2]" 2 1537 1 60 VAL MG2 1 89 PHE QD . . 3.950 2.876 2.501 3.303 . 0 0 "[ . 1 . 2]" 2 1538 1 60 VAL MG2 1 89 PHE HB2 . . 5.030 4.024 3.225 4.754 . 0 0 "[ . 1 . 2]" 2 1539 1 60 VAL HA 1 60 VAL MG2 . . 3.260 2.327 2.119 2.429 . 0 0 "[ . 1 . 2]" 2 1540 1 104 LYS HA 1 105 ALA MB . . 4.290 3.874 3.754 3.938 . 0 0 "[ . 1 . 2]" 2 1541 1 108 VAL MG2 1 109 LEU H . . 4.220 4.131 3.987 4.226 0.006 15 0 "[ . 1 . 2]" 2 1542 1 108 VAL H 1 108 VAL MG2 . . 3.340 2.397 2.233 2.592 . 0 0 "[ . 1 . 2]" 2 1543 1 88 ARG HA 1 108 VAL MG2 . . 3.950 3.836 3.466 3.970 0.020 18 0 "[ . 1 . 2]" 2 1544 1 108 VAL HA 1 108 VAL MG2 . . 3.210 2.355 2.273 2.439 . 0 0 "[ . 1 . 2]" 2 1545 1 20 GLU HG3 1 108 VAL MG2 . . 4.040 3.698 3.307 3.998 . 0 0 "[ . 1 . 2]" 2 1546 1 45 VAL MG2 1 46 ASN H . . 4.360 3.022 1.784 4.095 . 0 0 "[ . 1 . 2]" 2 1547 1 19 TYR H 1 108 VAL MG2 . . 5.140 5.056 4.818 5.144 0.004 17 0 "[ . 1 . 2]" 2 1548 1 107 VAL H 1 108 VAL MG2 . . 4.570 4.169 3.957 4.515 . 0 0 "[ . 1 . 2]" 2 1549 1 106 THR HB 1 108 VAL MG2 . . 4.240 3.811 3.503 3.986 . 0 0 "[ . 1 . 2]" 2 1550 1 18 VAL MG2 1 19 TYR H . . 4.390 4.222 4.162 4.295 . 0 0 "[ . 1 . 2]" 2 1551 1 18 VAL MG2 1 106 THR H . . 4.390 3.253 2.892 3.512 . 0 0 "[ . 1 . 2]" 2 1552 1 18 VAL MG2 1 106 THR HB . . 3.450 2.035 1.962 2.300 . 0 0 "[ . 1 . 2]" 2 1553 1 24 ALA HA 1 25 GLU H . . 2.890 2.151 2.142 2.241 . 0 0 "[ . 1 . 2]" 2 1554 1 24 ALA HA 1 112 LYS HB2 . . 3.740 2.502 2.316 2.706 . 0 0 "[ . 1 . 2]" 2 1555 1 43 VAL MG2 1 44 GLY H . . 4.350 3.960 3.547 4.328 . 0 0 "[ . 1 . 2]" 2 1556 1 43 VAL HA 1 43 VAL MG2 . . 3.400 2.732 2.258 3.202 . 0 0 "[ . 1 . 2]" 2 1557 1 45 VAL MG2 1 47 GLY H . . 4.760 2.943 1.835 4.741 . 0 0 "[ . 1 . 2]" 2 1558 1 45 VAL HA 1 45 VAL MG2 . . 3.430 2.490 2.161 3.190 . 0 0 "[ . 1 . 2]" 2 1559 1 80 ASP HB3 1 84 VAL MG2 . . 5.010 4.190 4.005 4.516 . 0 0 "[ . 1 . 2]" 2 1560 1 24 ALA HA 1 112 LYS H . . 4.220 3.123 2.668 3.670 . 0 0 "[ . 1 . 2]" 2 1561 1 24 ALA HA 1 25 GLU HB3 . . 4.810 4.495 4.292 4.655 . 0 0 "[ . 1 . 2]" 2 1562 1 54 GLY H 1 56 ALA MB . . 4.850 4.109 3.431 4.753 . 0 0 "[ . 1 . 2]" 2 1563 1 56 ALA MB 1 90 THR H . . 4.480 3.007 2.316 3.700 . 0 0 "[ . 1 . 2]" 2 1564 1 56 ALA MB 1 57 THR H . . 3.750 2.487 2.004 3.363 . 0 0 "[ . 1 . 2]" 2 1565 1 53 PHE QD 1 56 ALA MB . . 4.020 2.258 1.974 3.068 . 0 0 "[ . 1 . 2]" 2 1566 1 56 ALA MB 1 89 PHE QD . . 3.940 3.462 2.803 3.885 . 0 0 "[ . 1 . 2]" 2 1567 1 53 PHE HA 1 56 ALA MB . . 4.900 3.653 3.209 4.082 . 0 0 "[ . 1 . 2]" 2 1568 1 55 ALA HA 1 56 ALA MB . . 4.770 4.358 4.175 4.576 . 0 0 "[ . 1 . 2]" 2 1569 1 56 ALA MB 1 60 VAL HA . . 5.500 5.094 4.691 5.356 . 0 0 "[ . 1 . 2]" 2 1570 1 53 PHE HB3 1 56 ALA MB . . 3.750 2.361 1.867 2.916 . 0 0 "[ . 1 . 2]" 2 1571 1 53 PHE HB2 1 56 ALA MB . . 4.420 3.806 3.234 4.338 . 0 0 "[ . 1 . 2]" 2 1572 1 55 ALA MB 1 56 ALA MB . . 4.640 4.494 4.317 4.626 . 0 0 "[ . 1 . 2]" 2 1573 1 84 VAL MG2 1 87 LEU H . . 5.500 4.761 4.130 5.481 . 0 0 "[ . 1 . 2]" 2 1574 1 84 VAL MG2 1 85 ASN H . . 4.100 4.007 3.925 4.089 . 0 0 "[ . 1 . 2]" 2 1575 1 80 ASP H 1 84 VAL MG2 . . 4.380 3.104 2.741 3.618 . 0 0 "[ . 1 . 2]" 2 1576 1 84 VAL H 1 84 VAL MG2 . . 3.080 2.138 1.984 2.302 . 0 0 "[ . 1 . 2]" 2 1577 1 84 VAL MG2 1 86 GLN H . . 4.570 4.250 3.820 4.597 0.027 14 0 "[ . 1 . 2]" 2 1578 1 81 ARG HA 1 84 VAL MG2 . . 4.340 3.191 2.975 3.329 . 0 0 "[ . 1 . 2]" 2 1579 1 84 VAL HA 1 84 VAL MG2 . . 3.330 3.189 3.174 3.202 . 0 0 "[ . 1 . 2]" 2 1580 1 83 GLU HG2 1 84 VAL MG2 . . 4.140 2.749 2.359 2.924 . 0 0 "[ . 1 . 2]" 2 1581 1 31 THR HA 1 31 THR MG . . 3.120 2.424 2.277 2.511 . 0 0 "[ . 1 . 2]" 2 1582 1 31 THR MG 1 32 PRO HD3 . . 3.610 3.373 3.168 3.548 . 0 0 "[ . 1 . 2]" 2 1583 1 56 ALA MB 1 60 VAL HB . . 3.430 2.666 2.170 3.140 . 0 0 "[ . 1 . 2]" 2 1584 1 14 PHE QD 1 38 ALA MB . . 4.520 4.131 3.184 4.552 0.032 14 0 "[ . 1 . 2]" 2 1585 1 31 THR H 1 31 THR MG . . 3.970 3.773 3.728 3.805 . 0 0 "[ . 1 . 2]" 2 1586 1 38 ALA MB 1 51 TYR QD . . 5.170 4.472 3.321 5.171 0.001 17 0 "[ . 1 . 2]" 2 1587 1 38 ALA H 1 38 ALA MB . . 3.650 2.369 2.131 2.676 . 0 0 "[ . 1 . 2]" 2 1588 1 13 ARG H 1 38 ALA MB . . 3.770 3.348 2.822 3.773 0.003 1 0 "[ . 1 . 2]" 2 1589 1 38 ALA MB 1 39 ALA H . . 3.970 3.411 2.410 3.719 . 0 0 "[ . 1 . 2]" 2 1590 1 37 ARG HA 1 38 ALA MB . . 4.520 3.925 3.764 4.186 . 0 0 "[ . 1 . 2]" 2 1591 1 91 VAL MG2 1 92 MET H . . 4.260 3.918 3.699 4.115 . 0 0 "[ . 1 . 2]" 2 1592 1 91 VAL H 1 91 VAL MG2 . . 3.290 1.961 1.894 2.133 . 0 0 "[ . 1 . 2]" 2 1593 1 91 VAL MG2 1 105 ALA H . . 3.730 2.654 2.374 2.891 . 0 0 "[ . 1 . 2]" 2 1594 1 14 PHE QE 1 91 VAL MG2 . . 3.850 2.780 2.483 3.075 . 0 0 "[ . 1 . 2]" 2 1595 1 89 PHE QD 1 91 VAL MG2 . . 4.550 4.418 4.308 4.544 . 0 0 "[ . 1 . 2]" 2 1596 1 14 PHE HZ 1 91 VAL MG2 . . 3.320 2.558 2.151 2.909 . 0 0 "[ . 1 . 2]" 2 1597 1 90 THR HA 1 91 VAL MG2 . . 4.190 3.639 3.472 3.771 . 0 0 "[ . 1 . 2]" 2 1598 1 54 GLY H 1 91 VAL MG2 . . 5.460 4.741 4.636 4.949 . 0 0 "[ . 1 . 2]" 2 1599 1 91 VAL MG2 1 107 VAL H . . 5.500 4.814 4.143 5.162 . 0 0 "[ . 1 . 2]" 2 1600 1 19 TYR QD 1 91 VAL MG2 . . 5.150 4.592 4.274 4.831 . 0 0 "[ . 1 . 2]" 2 1601 1 19 TYR QE 1 91 VAL MG2 . . 5.500 4.884 4.347 5.192 . 0 0 "[ . 1 . 2]" 2 1602 1 91 VAL MG2 1 92 MET HA . . 4.830 4.183 3.971 4.362 . 0 0 "[ . 1 . 2]" 2 1603 1 91 VAL MG2 1 104 LYS HA . . 5.130 4.072 3.908 4.319 . 0 0 "[ . 1 . 2]" 2 1604 1 53 PHE HA 1 91 VAL MG2 . . 5.380 5.234 5.043 5.366 . 0 0 "[ . 1 . 2]" 2 1605 1 31 THR MG 1 32 PRO HD2 . . 3.610 2.013 1.823 2.209 . 0 0 "[ . 1 . 2]" 2 1606 1 31 THR HA 1 32 PRO HD3 . . 2.990 2.273 2.254 2.324 . 0 0 "[ . 1 . 2]" 2 1607 1 39 ALA HA 1 40 ASP H . . 3.050 2.332 2.143 2.672 . 0 0 "[ . 1 . 2]" 2 1608 1 39 ALA HA 1 40 ASP HA . . 4.820 4.420 4.314 4.675 . 0 0 "[ . 1 . 2]" 2 1609 1 21 ALA HA 1 22 ASP H . . 2.720 2.388 2.156 2.579 . 0 0 "[ . 1 . 2]" 2 1610 1 21 ALA HA 1 22 ASP HA . . 4.480 4.387 4.344 4.462 . 0 0 "[ . 1 . 2]" 2 1611 1 20 GLU HG2 1 21 ALA HA . . 4.990 4.451 4.100 4.750 . 0 0 "[ . 1 . 2]" 2 1612 1 20 GLU HA 1 21 ALA HA . . 4.640 4.391 4.382 4.397 . 0 0 "[ . 1 . 2]" 2 1613 1 24 ALA MB 1 27 SER HB2 . . 4.930 3.828 3.278 4.343 . 0 0 "[ . 1 . 2]" 2 1614 1 52 VAL MG2 1 92 MET H . . 3.860 3.001 2.740 3.342 . 0 0 "[ . 1 . 2]" 2 1615 1 52 VAL H 1 52 VAL MG2 . . 3.120 1.999 1.871 2.170 . 0 0 "[ . 1 . 2]" 2 1616 1 52 VAL MG2 1 53 PHE H . . 3.760 3.337 3.037 3.769 0.009 3 0 "[ . 1 . 2]" 2 1617 1 51 TYR HA 1 52 VAL MG2 . . 4.280 3.809 3.623 3.958 . 0 0 "[ . 1 . 2]" 2 1618 1 52 VAL HA 1 52 VAL MG2 . . 3.710 3.188 3.180 3.200 . 0 0 "[ . 1 . 2]" 2 1619 1 52 VAL MG2 1 94 ARG HD3 . . 3.950 3.679 3.304 3.974 0.024 9 0 "[ . 1 . 2]" 2 1620 1 52 VAL MG2 1 92 MET HB2 . . 3.420 2.232 2.103 2.445 . 0 0 "[ . 1 . 2]" 2 1621 1 52 VAL MG2 1 92 MET HB3 . . 3.420 2.916 2.744 3.181 . 0 0 "[ . 1 . 2]" 2 1622 1 52 VAL MG2 1 94 ARG HG2 . . 4.320 3.727 2.812 4.315 . 0 0 "[ . 1 . 2]" 2 1623 1 52 VAL MG2 1 94 ARG HG3 . . 4.320 3.227 2.658 4.190 . 0 0 "[ . 1 . 2]" 2 1624 1 52 VAL MG2 1 102 THR MG . . 4.410 4.131 3.480 4.410 . 0 0 "[ . 1 . 2]" 2 1625 1 24 ALA MB 1 25 GLU H . . 3.350 3.230 2.791 3.353 0.003 4 0 "[ . 1 . 2]" 2 1626 1 24 ALA H 1 24 ALA MB . . 2.730 2.115 2.039 2.293 . 0 0 "[ . 1 . 2]" 2 1627 1 24 ALA MB 1 27 SER H . . 3.860 3.158 2.175 3.874 0.014 20 0 "[ . 1 . 2]" 2 1628 1 24 ALA MB 1 27 SER HG . . 3.600 2.644 1.928 3.610 0.010 3 0 "[ . 1 . 2]" 2 1629 1 24 ALA MB 1 27 SER HA . . 3.840 3.504 3.059 3.813 . 0 0 "[ . 1 . 2]" 2 1630 1 55 ALA H 1 55 ALA MB . . 3.130 2.304 2.081 2.516 . 0 0 "[ . 1 . 2]" 2 1631 1 54 GLY HA3 1 55 ALA MB . . 4.450 3.883 3.791 3.973 . 0 0 "[ . 1 . 2]" 2 1632 1 55 ALA MB 1 56 ALA H . . 3.840 3.676 3.588 3.717 . 0 0 "[ . 1 . 2]" 2 1633 1 28 ALA HA 1 29 PRO HD2 . . 3.230 2.578 2.501 2.641 . 0 0 "[ . 1 . 2]" 2 1634 1 55 ALA MB 1 89 PHE HA . . 4.990 4.643 3.791 4.980 . 0 0 "[ . 1 . 2]" 2 1635 1 27 SER HA 1 28 ALA HA . . 4.560 4.367 4.335 4.414 . 0 0 "[ . 1 . 2]" 2 1636 1 28 ALA HA 1 29 PRO HD3 . . 3.230 2.386 2.343 2.424 . 0 0 "[ . 1 . 2]" 2 1637 1 28 ALA HA 1 29 PRO HG2 . . 4.890 4.660 4.595 4.714 . 0 0 "[ . 1 . 2]" 2 1638 1 28 ALA HA 1 29 PRO HB3 . . 5.130 4.889 4.867 4.908 . 0 0 "[ . 1 . 2]" 2 1639 1 28 ALA HA 1 78 ARG QB . . 5.410 5.021 3.362 5.424 0.014 3 0 "[ . 1 . 2]" 2 1640 1 28 ALA HA 1 75 VAL MG1 . . 5.040 4.583 4.296 4.850 . 0 0 "[ . 1 . 2]" 2 1641 1 12 PRO HD3 1 101 LYS HB2 . . 4.960 3.657 2.222 4.936 . 0 0 "[ . 1 . 2]" 2 1642 1 12 PRO HD3 1 101 LYS HB3 . . 4.960 3.382 2.380 4.425 . 0 0 "[ . 1 . 2]" 2 1643 1 98 GLN HA 1 100 PRO HD3 . . 3.590 2.184 1.997 2.609 . 0 0 "[ . 1 . 2]" 2 1644 1 98 GLN HA 1 100 PRO HD2 . . 3.860 3.275 3.115 3.647 . 0 0 "[ . 1 . 2]" 2 1645 1 99 PRO HB2 1 100 PRO HD2 . . 3.650 2.976 2.602 3.143 . 0 0 "[ . 1 . 2]" 2 1646 1 79 ILE MG 1 81 ARG H . . 4.500 3.802 3.451 4.464 . 0 0 "[ . 1 . 2]" 2 1647 1 79 ILE H 1 79 ILE MG . . 4.400 3.835 3.800 3.901 . 0 0 "[ . 1 . 2]" 2 1648 1 79 ILE MG 1 80 ASP H . . 3.440 2.156 1.872 2.787 . 0 0 "[ . 1 . 2]" 2 1649 1 79 ILE MG 1 81 ARG HA . . 4.300 3.823 3.566 4.154 . 0 0 "[ . 1 . 2]" 2 1650 1 25 GLU HB3 1 79 ILE MG . . 4.780 3.982 3.466 4.552 . 0 0 "[ . 1 . 2]" 2 1651 1 28 ALA H 1 28 ALA MB . . 2.900 2.054 2.023 2.128 . 0 0 "[ . 1 . 2]" 2 1652 1 28 ALA MB 1 31 THR H . . 4.260 3.337 2.528 3.986 . 0 0 "[ . 1 . 2]" 2 1653 1 28 ALA MB 1 31 THR HG1 . . 3.500 2.541 2.012 3.111 . 0 0 "[ . 1 . 2]" 2 1654 1 27 SER HA 1 28 ALA MB . . 4.010 3.926 3.894 3.972 . 0 0 "[ . 1 . 2]" 2 1655 1 28 ALA MB 1 31 THR HB . . 4.660 4.267 3.874 4.657 . 0 0 "[ . 1 . 2]" 2 1656 1 28 ALA MB 1 29 PRO HD2 . . 3.350 1.955 1.894 2.083 . 0 0 "[ . 1 . 2]" 2 1657 1 28 ALA MB 1 29 PRO HD3 . . 3.350 3.044 2.966 3.152 . 0 0 "[ . 1 . 2]" 2 1658 1 25 GLU H 1 111 ILE MG . . 4.030 3.006 2.781 3.203 . 0 0 "[ . 1 . 2]" 2 1659 1 81 ARG H 1 111 ILE MG . . 4.570 3.601 3.214 3.918 . 0 0 "[ . 1 . 2]" 2 1660 1 111 ILE MG 1 112 LYS H . . 3.480 3.165 2.577 3.429 . 0 0 "[ . 1 . 2]" 2 1661 1 25 GLU HA 1 111 ILE MG . . 3.550 2.650 2.366 2.835 . 0 0 "[ . 1 . 2]" 2 1662 1 33 ILE MG 1 34 LEU HA . . 4.290 4.092 3.924 4.235 . 0 0 "[ . 1 . 2]" 2 1663 1 111 ILE MG 1 112 LYS HA . . 4.740 4.063 3.865 4.356 . 0 0 "[ . 1 . 2]" 2 1664 1 111 ILE MG 1 113 ASP HA . . 5.250 4.390 4.217 4.644 . 0 0 "[ . 1 . 2]" 2 1665 1 81 ARG HA 1 111 ILE MG . . 3.860 2.084 1.944 2.354 . 0 0 "[ . 1 . 2]" 2 1666 1 111 ILE HG12 1 111 ILE MG . . 3.360 3.193 3.180 3.202 . 0 0 "[ . 1 . 2]" 2 1667 1 111 ILE H 1 111 ILE MG . . 4.030 3.768 3.755 3.782 . 0 0 "[ . 1 . 2]" 2 1668 1 111 ILE HA 1 111 ILE MG . . 3.210 2.407 2.194 2.470 . 0 0 "[ . 1 . 2]" 2 1669 1 25 GLU HB3 1 111 ILE MG . . 3.630 1.898 1.813 2.054 . 0 0 "[ . 1 . 2]" 2 1670 1 33 ILE H 1 33 ILE MG . . 4.110 3.809 3.770 3.858 . 0 0 "[ . 1 . 2]" 2 1671 1 33 ILE MG 1 34 LEU H . . 3.510 2.958 2.791 3.184 . 0 0 "[ . 1 . 2]" 2 1672 1 23 LEU HA 1 33 ILE MG . . 4.260 4.177 3.942 4.280 0.020 20 0 "[ . 1 . 2]" 2 1673 1 33 ILE HA 1 33 ILE MG . . 3.080 2.398 2.305 2.451 . 0 0 "[ . 1 . 2]" 2 1674 1 49 ILE MG 1 50 GLU H . . 3.430 2.419 1.848 2.894 . 0 0 "[ . 1 . 2]" 2 1675 1 49 ILE H 1 49 ILE MG . . 4.130 3.851 3.722 3.949 . 0 0 "[ . 1 . 2]" 2 1676 1 49 ILE MG 1 51 TYR QD . . 4.290 3.559 3.007 4.144 . 0 0 "[ . 1 . 2]" 2 1677 1 49 ILE MG 1 51 TYR QE . . 3.820 3.065 2.360 3.815 . 0 0 "[ . 1 . 2]" 2 1678 1 49 ILE MG 1 93 ALA HA . . 4.010 2.947 2.171 3.762 . 0 0 "[ . 1 . 2]" 2 1679 1 49 ILE MG 1 50 GLU HA . . 4.180 3.953 3.594 4.185 0.005 17 0 "[ . 1 . 2]" 2 1680 1 49 ILE HA 1 49 ILE MG . . 3.370 2.346 2.137 2.475 . 0 0 "[ . 1 . 2]" 2 1681 1 12 PRO HB2 1 49 ILE MG . . 4.210 2.889 2.342 3.396 . 0 0 "[ . 1 . 2]" 2 1682 1 12 PRO HB3 1 49 ILE MG . . 4.210 2.941 2.269 3.740 . 0 0 "[ . 1 . 2]" 2 1683 1 38 ALA MB 1 49 ILE MG . . 3.440 2.827 1.961 3.444 0.004 11 0 "[ . 1 . 2]" 2 1684 1 49 ILE MG 1 93 ALA MB . . 3.110 1.974 1.680 2.595 . 0 0 "[ . 1 . 2]" 2 1685 1 92 MET H 1 92 MET ME . . 4.230 4.071 3.877 4.208 . 0 0 "[ . 1 . 2]" 2 1686 1 52 VAL H 1 92 MET ME . . 5.020 4.782 4.354 5.016 . 0 0 "[ . 1 . 2]" 2 1687 1 54 GLY H 1 92 MET ME . . 5.310 4.431 3.927 4.711 . 0 0 "[ . 1 . 2]" 2 1688 1 92 MET ME 1 93 ALA H . . 4.800 4.692 4.468 4.807 0.007 14 0 "[ . 1 . 2]" 2 1689 1 92 MET HA 1 92 MET ME . . 4.410 4.282 4.198 4.364 . 0 0 "[ . 1 . 2]" 2 1690 1 54 GLY HA2 1 92 MET ME . . 3.450 2.419 1.976 2.822 . 0 0 "[ . 1 . 2]" 2 1691 1 92 MET ME 1 102 THR HB . . 3.720 3.475 3.277 3.681 . 0 0 "[ . 1 . 2]" 2 1692 1 54 GLY HA3 1 92 MET ME . . 4.090 3.578 3.220 3.956 . 0 0 "[ . 1 . 2]" 2 1693 1 52 VAL MG1 1 92 MET ME . . 4.740 4.414 4.174 4.616 . 0 0 "[ . 1 . 2]" 2 1694 1 52 VAL MG2 1 92 MET ME . . 2.920 2.379 2.110 2.681 . 0 0 "[ . 1 . 2]" 2 1695 1 33 ILE MD 1 75 VAL H . . 4.220 3.247 2.673 3.713 . 0 0 "[ . 1 . 2]" 2 1696 1 33 ILE MD 1 74 SER HA . . 3.810 2.631 2.208 3.081 . 0 0 "[ . 1 . 2]" 2 1697 1 33 ILE MD 1 74 SER H . . 4.360 3.461 2.566 3.745 . 0 0 "[ . 1 . 2]" 2 1698 1 33 ILE H 1 33 ILE MD . . 4.060 3.597 3.378 3.994 . 0 0 "[ . 1 . 2]" 2 1699 1 33 ILE HA 1 33 ILE MD . . 4.010 3.883 3.839 3.904 . 0 0 "[ . 1 . 2]" 2 1700 1 33 ILE MD 1 75 VAL HA . . 3.890 3.001 2.629 3.307 . 0 0 "[ . 1 . 2]" 2 1701 1 33 ILE MD 1 75 VAL HB . . 4.920 4.574 4.151 4.858 . 0 0 "[ . 1 . 2]" 2 1702 1 33 ILE HB 1 33 ILE MD . . 3.220 2.228 2.125 2.303 . 0 0 "[ . 1 . 2]" 2 1703 1 33 ILE MD 1 73 LEU MD1 . . 3.570 3.331 3.075 3.578 0.008 6 0 "[ . 1 . 2]" 2 1704 1 33 ILE MD 1 75 VAL MG2 . . 3.070 2.398 2.006 2.711 . 0 0 "[ . 1 . 2]" 2 1705 1 33 ILE MD 1 33 ILE MG . . 2.620 2.275 2.088 2.486 . 0 0 "[ . 1 . 2]" 2 1706 1 33 ILE MD 1 34 LEU MD1 . . 4.880 4.771 4.583 4.890 0.010 11 0 "[ . 1 . 2]" 2 1707 1 90 THR HA 1 91 VAL H . . 3.050 2.279 2.216 2.387 . 0 0 "[ . 1 . 2]" 2 1708 1 90 THR HA 1 107 VAL H . . 3.920 3.178 2.821 3.403 . 0 0 "[ . 1 . 2]" 2 1709 1 90 THR HA 1 106 THR MG . . 4.480 4.104 3.812 4.344 . 0 0 "[ . 1 . 2]" 2 1710 1 102 THR HA 1 103 ASP H . . 3.220 2.164 2.141 2.262 . 0 0 "[ . 1 . 2]" 2 1711 1 95 ASP H 1 102 THR HA . . 5.180 4.868 4.365 5.195 0.015 11 0 "[ . 1 . 2]" 2 1712 1 94 ARG HA 1 102 THR HA . . 3.520 3.032 2.793 3.294 . 0 0 "[ . 1 . 2]" 2 1713 1 51 TYR HA 1 93 ALA MB . . 4.250 3.492 2.968 3.924 . 0 0 "[ . 1 . 2]" 2 1714 1 51 TYR HA 1 51 TYR QD . . 3.790 2.912 2.564 3.198 . 0 0 "[ . 1 . 2]" 2 1715 1 51 TYR HA 1 52 VAL H . . 2.990 2.212 2.139 2.381 . 0 0 "[ . 1 . 2]" 2 1716 1 51 TYR HA 1 93 ALA HA . . 3.550 2.820 2.392 3.217 . 0 0 "[ . 1 . 2]" 2 1717 1 51 TYR HA 1 52 VAL HA . . 4.530 4.420 4.390 4.496 . 0 0 "[ . 1 . 2]" 2 1718 1 33 ILE HA 1 74 SER HA . . 4.720 4.310 4.086 4.505 . 0 0 "[ . 1 . 2]" 2 1719 1 33 ILE HG13 1 74 SER HA . . 3.990 2.102 1.986 2.397 . 0 0 "[ . 1 . 2]" 2 1720 1 74 SER HA 1 75 VAL HB . . 5.170 4.989 4.903 5.102 . 0 0 "[ . 1 . 2]" 2 1721 1 33 ILE H 1 74 SER HA . . 3.770 2.178 1.895 2.487 . 0 0 "[ . 1 . 2]" 2 1722 1 74 SER HA 1 75 VAL H . . 3.390 2.503 2.374 2.616 . 0 0 "[ . 1 . 2]" 2 1723 1 73 LEU HA 1 74 SER HA . . 5.070 4.419 4.389 4.454 . 0 0 "[ . 1 . 2]" 2 1724 1 74 SER HA 1 75 VAL HA . . 5.030 4.323 4.306 4.351 . 0 0 "[ . 1 . 2]" 2 1725 1 33 ILE HG12 1 74 SER HA . . 4.170 3.818 3.675 4.098 . 0 0 "[ . 1 . 2]" 2 1726 1 32 PRO HB2 1 74 SER HA . . 5.500 5.018 4.508 5.476 . 0 0 "[ . 1 . 2]" 2 1727 1 33 ILE HB 1 74 SER HA . . 4.750 3.218 2.888 3.505 . 0 0 "[ . 1 . 2]" 2 1728 1 89 PHE HA 1 89 PHE QD . . 4.010 3.712 3.660 3.727 . 0 0 "[ . 1 . 2]" 2 1729 1 89 PHE HA 1 90 THR HA . . 4.750 4.465 4.363 4.508 . 0 0 "[ . 1 . 2]" 2 1730 1 89 PHE HA 1 90 THR MG . . 5.500 5.371 5.281 5.436 . 0 0 "[ . 1 . 2]" 2 1731 1 56 ALA MB 1 89 PHE HA . . 4.410 3.895 3.222 4.384 . 0 0 "[ . 1 . 2]" 2 1732 1 89 PHE HA 1 90 THR HB . . 5.160 4.887 4.771 5.029 . 0 0 "[ . 1 . 2]" 2 1733 1 88 ARG QG 1 89 PHE HA . . 5.500 4.673 4.129 5.507 0.007 4 0 "[ . 1 . 2]" 2 1734 1 91 VAL H 1 104 LYS HA . . 4.740 3.941 3.759 4.229 . 0 0 "[ . 1 . 2]" 2 1735 1 104 LYS HA 1 105 ALA H . . 3.050 2.213 2.141 2.325 . 0 0 "[ . 1 . 2]" 2 1736 1 93 ALA H 1 104 LYS HA . . 4.600 4.438 4.102 4.647 0.047 20 0 "[ . 1 . 2]" 2 1737 1 14 PHE QD 1 104 LYS HA . . 4.910 4.668 4.225 4.906 . 0 0 "[ . 1 . 2]" 2 1738 1 14 PHE QE 1 104 LYS HA . . 3.590 3.479 3.146 3.592 0.002 16 0 "[ . 1 . 2]" 2 1739 1 92 MET HG2 1 104 LYS HA . . 4.860 3.001 2.453 3.318 . 0 0 "[ . 1 . 2]" 2 1740 1 104 LYS HA 1 104 LYS QD . . 4.870 4.019 3.907 4.070 . 0 0 "[ . 1 . 2]" 2 1741 1 14 PHE HZ 1 104 LYS HA . . 5.500 5.393 5.140 5.512 0.012 19 0 "[ . 1 . 2]" 2 1742 1 86 GLN HA 1 87 LEU H . . 2.970 2.156 2.139 2.255 . 0 0 "[ . 1 . 2]" 2 1743 1 86 GLN HA 1 111 ILE H . . 3.820 2.806 2.562 2.940 . 0 0 "[ . 1 . 2]" 2 1744 1 86 GLN HA 1 111 ILE HG13 . . 4.750 3.401 3.077 3.702 . 0 0 "[ . 1 . 2]" 2 1745 1 86 GLN HA 1 111 ILE HG12 . . 4.390 2.209 1.999 2.574 . 0 0 "[ . 1 . 2]" 2 1746 1 86 GLN HA 1 108 VAL MG1 . . 5.370 5.130 4.757 5.372 0.002 17 0 "[ . 1 . 2]" 2 1747 1 88 ARG HA 1 107 VAL H . . 4.880 4.525 4.184 4.808 . 0 0 "[ . 1 . 2]" 2 1748 1 88 ARG HA 1 88 ARG QG . . 3.690 2.296 2.248 2.325 . 0 0 "[ . 1 . 2]" 2 1749 1 88 ARG HA 1 109 LEU H . . 4.140 3.678 3.359 3.930 . 0 0 "[ . 1 . 2]" 2 1750 1 88 ARG HA 1 89 PHE QD . . 4.160 3.774 3.220 4.119 . 0 0 "[ . 1 . 2]" 2 1751 1 88 ARG HA 1 108 VAL HA . . 3.400 3.028 2.780 3.262 . 0 0 "[ . 1 . 2]" 2 1752 1 20 GLU HA 1 108 VAL H . . 3.530 3.008 2.845 3.310 . 0 0 "[ . 1 . 2]" 2 1753 1 20 GLU HA 1 21 ALA H . . 2.850 2.151 2.139 2.172 . 0 0 "[ . 1 . 2]" 2 1754 1 20 GLU HA 1 107 VAL HA . . 4.710 4.432 4.210 4.691 . 0 0 "[ . 1 . 2]" 2 1755 1 20 GLU HA 1 20 GLU HG3 . . 3.860 2.294 2.196 2.507 . 0 0 "[ . 1 . 2]" 2 1756 1 20 GLU HA 1 108 VAL MG2 . . 5.450 4.050 3.726 4.317 . 0 0 "[ . 1 . 2]" 2 1757 1 92 MET HA 1 103 ASP H . . 4.510 3.942 3.372 4.480 . 0 0 "[ . 1 . 2]" 2 1758 1 92 MET HA 1 105 ALA H . . 4.780 4.050 3.842 4.249 . 0 0 "[ . 1 . 2]" 2 1759 1 92 MET HA 1 93 ALA H . . 3.140 2.326 2.203 2.475 . 0 0 "[ . 1 . 2]" 2 1760 1 14 PHE QE 1 92 MET HA . . 3.730 3.126 2.749 3.495 . 0 0 "[ . 1 . 2]" 2 1761 1 12 PRO HG3 1 94 ARG HA . . 4.670 3.664 2.949 4.245 . 0 0 "[ . 1 . 2]" 2 1762 1 102 THR HA 1 103 ASP HA . . 4.810 4.400 4.385 4.431 . 0 0 "[ . 1 . 2]" 2 1763 1 103 ASP HA 1 104 LYS HA . . 5.150 4.404 4.370 4.574 . 0 0 "[ . 1 . 2]" 2 1764 1 103 ASP HA 1 104 LYS QB . . 4.680 4.183 4.127 4.272 . 0 0 "[ . 1 . 2]" 2 1765 1 94 ARG HA 1 103 ASP H . . 4.750 4.572 4.251 4.760 0.010 19 0 "[ . 1 . 2]" 2 1766 1 94 ARG HA 1 95 ASP H . . 3.190 2.314 2.166 2.507 . 0 0 "[ . 1 . 2]" 2 1767 1 103 ASP HA 1 104 LYS H . . 2.990 2.175 2.138 2.344 . 0 0 "[ . 1 . 2]" 2 1768 1 73 LEU HA 1 74 SER H . . 2.950 2.166 2.139 2.203 . 0 0 "[ . 1 . 2]" 2 1769 1 67 ASP H 1 73 LEU HA . . 4.250 3.524 3.061 3.853 . 0 0 "[ . 1 . 2]" 2 1770 1 66 LEU HA 1 73 LEU HA . . 3.450 2.515 2.292 2.696 . 0 0 "[ . 1 . 2]" 2 1771 1 73 LEU HA 1 73 LEU MD1 . . 3.940 3.189 1.957 3.800 . 0 0 "[ . 1 . 2]" 2 1772 1 33 ILE MD 1 73 LEU HA . . 4.780 4.422 3.888 4.754 . 0 0 "[ . 1 . 2]" 2 1773 1 34 LEU MD1 1 73 LEU HA . . 5.500 4.950 4.550 5.285 . 0 0 "[ . 1 . 2]" 2 1774 1 65 ARG H 1 73 LEU HA . . 5.500 5.293 4.911 5.503 0.003 4 0 "[ . 1 . 2]" 2 1775 1 22 ASP HA 1 109 LEU MD2 . . 4.960 4.368 4.094 4.586 . 0 0 "[ . 1 . 2]" 2 1776 1 22 ASP HA 1 23 LEU H . . 2.900 2.151 2.139 2.194 . 0 0 "[ . 1 . 2]" 2 1777 1 22 ASP HA 1 110 ASN HD21 . . 4.630 4.069 3.583 4.540 . 0 0 "[ . 1 . 2]" 2 1778 1 22 ASP HA 1 23 LEU HB3 . . 5.310 4.804 4.706 4.935 . 0 0 "[ . 1 . 2]" 2 1779 1 109 LEU HA 1 110 ASN H . . 2.860 2.175 2.141 2.237 . 0 0 "[ . 1 . 2]" 2 1780 1 109 LEU HA 1 110 ASN HB2 . . 4.730 4.448 4.325 4.634 . 0 0 "[ . 1 . 2]" 2 1781 1 109 LEU HA 1 109 LEU HG . . 4.180 3.188 3.118 3.369 . 0 0 "[ . 1 . 2]" 2 1782 1 109 LEU HA 1 109 LEU MD1 . . 4.260 3.857 3.758 3.906 . 0 0 "[ . 1 . 2]" 2 1783 1 33 ILE MG 1 109 LEU HA . . 5.140 4.851 4.522 5.133 . 0 0 "[ . 1 . 2]" 2 1784 1 99 PRO HA 1 100 PRO HD3 . . 3.020 2.267 2.261 2.276 . 0 0 "[ . 1 . 2]" 2 1785 1 99 PRO HA 1 100 PRO HD2 . . 3.130 2.152 2.089 2.303 . 0 0 "[ . 1 . 2]" 2 1786 1 98 GLN HA 1 99 PRO HA . . 2.790 1.945 1.882 1.985 . 0 0 "[ . 1 . 2]" 2 1787 1 41 LEU HB2 1 42 ASP HA . . 5.500 4.677 4.221 5.539 0.039 15 0 "[ . 1 . 2]" 2 1788 1 41 LEU HB3 1 42 ASP HA . . 5.500 4.781 4.400 5.505 0.005 10 0 "[ . 1 . 2]" 2 1789 1 65 ARG HB3 1 74 SER HB2 . . 5.500 5.364 5.125 5.503 0.003 5 0 "[ . 1 . 2]" 2 1790 1 32 PRO HB2 1 74 SER HB2 . . 5.500 4.979 4.650 5.375 . 0 0 "[ . 1 . 2]" 2 1791 1 32 PRO HB2 1 74 SER HB3 . . 5.370 4.555 4.253 5.031 . 0 0 "[ . 1 . 2]" 2 1792 1 74 SER HB3 1 75 VAL MG2 . . 5.500 5.310 5.139 5.471 . 0 0 "[ . 1 . 2]" 2 1793 1 33 ILE MD 1 74 SER HB2 . . 5.130 4.437 4.146 4.877 . 0 0 "[ . 1 . 2]" 2 1794 1 33 ILE MD 1 74 SER HB3 . . 5.350 4.712 4.220 5.135 . 0 0 "[ . 1 . 2]" 2 1795 1 70 SER HB3 1 72 TRP H . . 5.210 4.623 4.123 5.118 . 0 0 "[ . 1 . 2]" 2 1796 1 23 LEU H 1 23 LEU MD2 . . 4.520 4.078 3.949 4.169 . 0 0 "[ . 1 . 2]" 2 1797 1 27 SER HG 1 31 THR MG . . 4.640 3.748 2.831 4.629 . 0 0 "[ . 1 . 2]" 2 1798 1 31 THR MG 1 75 VAL H . . 4.770 4.398 4.077 4.616 . 0 0 "[ . 1 . 2]" 2 1799 1 31 THR MG 1 33 ILE H . . 4.990 4.697 4.267 4.990 0.000 9 0 "[ . 1 . 2]" 2 1800 1 14 PHE HA 1 14 PHE QD . . 3.650 2.634 2.334 2.969 . 0 0 "[ . 1 . 2]" 2 1801 1 14 PHE HA 1 15 GLU H . . 3.340 2.355 2.159 2.497 . 0 0 "[ . 1 . 2]" 2 1802 1 14 PHE HA 1 38 ALA MB . . 4.200 3.487 2.872 4.176 . 0 0 "[ . 1 . 2]" 2 1803 1 13 ARG HA 1 13 ARG QD . . 3.760 2.807 2.004 3.741 . 0 0 "[ . 1 . 2]" 2 1804 1 77 HIS HA 1 78 ARG H . . 3.070 2.307 2.187 2.545 . 0 0 "[ . 1 . 2]" 2 1805 1 13 ARG HA 1 14 PHE H . . 3.230 2.179 2.139 2.302 . 0 0 "[ . 1 . 2]" 2 1806 1 17 SER H 1 17 SER QB . . 3.100 2.403 2.178 2.663 . 0 0 "[ . 1 . 2]" 2 1807 1 17 SER QB 1 18 VAL H . . 3.520 2.608 2.459 2.861 . 0 0 "[ . 1 . 2]" 2 1808 1 10 ASN HA 1 11 SER H . . 3.320 2.528 2.162 3.325 0.005 17 0 "[ . 1 . 2]" 2 1809 1 13 ARG HA 1 103 ASP HB3 . . 4.580 3.244 2.362 3.939 . 0 0 "[ . 1 . 2]" 2 1810 1 14 PHE H 1 14 PHE QD . . 4.480 2.705 2.098 3.275 . 0 0 "[ . 1 . 2]" 2 1811 1 14 PHE QE 1 36 LEU HB3 . . 3.980 2.114 1.972 2.393 . 0 0 "[ . 1 . 2]" 2 1812 1 14 PHE QE 1 93 ALA H . . 4.280 3.554 3.173 4.062 . 0 0 "[ . 1 . 2]" 2 1813 1 14 PHE HZ 1 91 VAL MG1 . . 5.190 4.616 4.215 5.040 . 0 0 "[ . 1 . 2]" 2 1814 1 14 PHE HZ 1 92 MET HA . . 4.420 4.078 3.670 4.326 . 0 0 "[ . 1 . 2]" 2 1815 1 14 PHE HZ 1 93 ALA H . . 4.760 4.227 3.893 4.589 . 0 0 "[ . 1 . 2]" 2 1816 1 14 PHE HZ 1 51 TYR QE . . 4.890 4.331 3.556 4.891 0.001 15 0 "[ . 1 . 2]" 2 1817 1 16 LYS HD2 1 19 TYR QD . . 4.820 4.357 3.543 4.559 . 0 0 "[ . 1 . 2]" 2 1818 1 19 TYR QD 1 34 LEU HG . . 5.500 4.469 4.119 4.857 . 0 0 "[ . 1 . 2]" 2 1819 1 19 TYR QD 1 107 VAL HA . . 5.010 4.574 4.201 4.721 . 0 0 "[ . 1 . 2]" 2 1820 1 14 PHE QD 1 19 TYR QD . . 5.440 4.891 4.469 5.087 . 0 0 "[ . 1 . 2]" 2 1821 1 19 TYR QD 1 37 ARG H . . 5.500 5.232 4.671 5.586 0.086 18 0 "[ . 1 . 2]" 2 1822 1 19 TYR QD 1 106 THR H . . 5.500 5.380 5.023 5.524 0.024 14 0 "[ . 1 . 2]" 2 1823 1 19 TYR QE 1 105 ALA MB . . 3.900 3.585 3.045 3.900 . 0 0 "[ . 1 . 2]" 2 1824 1 19 TYR QE 1 107 VAL MG2 . . 5.300 4.854 4.411 5.042 . 0 0 "[ . 1 . 2]" 2 1825 1 19 TYR QE 1 34 LEU MD2 . . 4.890 4.309 3.888 4.891 0.001 1 0 "[ . 1 . 2]" 2 1826 1 16 LYS HG2 1 19 TYR QE . . 5.500 5.083 4.910 5.233 . 0 0 "[ . 1 . 2]" 2 1827 1 19 TYR QE 1 36 LEU HB3 . . 5.500 4.302 3.305 5.106 . 0 0 "[ . 1 . 2]" 2 1828 1 16 LYS HD2 1 19 TYR QE . . 5.140 4.752 3.665 5.025 . 0 0 "[ . 1 . 2]" 2 1829 1 16 LYS HB2 1 19 TYR QE . . 5.420 2.966 2.621 3.776 . 0 0 "[ . 1 . 2]" 2 1830 1 19 TYR QE 1 37 ARG QG . . 5.500 4.935 3.097 5.390 . 0 0 "[ . 1 . 2]" 2 1831 1 14 PHE HB2 1 19 TYR QE . . 4.650 3.349 3.013 3.620 . 0 0 "[ . 1 . 2]" 2 1832 1 14 PHE QD 1 19 TYR QE . . 4.410 3.528 3.220 3.768 . 0 0 "[ . 1 . 2]" 2 1833 1 19 TYR H 1 19 TYR QE . . 5.120 4.486 4.278 4.781 . 0 0 "[ . 1 . 2]" 2 1834 1 14 PHE QE 1 19 TYR QE . . 5.500 4.980 4.523 5.411 . 0 0 "[ . 1 . 2]" 2 1835 1 18 VAL H 1 19 TYR QE . . 5.500 5.292 4.711 5.525 0.025 14 0 "[ . 1 . 2]" 2 1836 1 20 GLU HB2 1 108 VAL MG2 . . 4.440 4.261 3.813 4.450 0.010 14 0 "[ . 1 . 2]" 2 1837 1 21 ALA MB 1 109 LEU MD2 . . 2.950 2.279 1.937 2.498 . 0 0 "[ . 1 . 2]" 2 1838 1 24 ALA MB 1 114 GLU HB3 . . 4.500 3.661 3.006 4.496 . 0 0 "[ . 1 . 2]" 2 1839 1 23 LEU MD2 1 24 ALA MB . . 3.750 3.531 3.349 3.749 . 0 0 "[ . 1 . 2]" 2 1840 1 32 PRO HA 1 72 TRP HZ3 . . 5.220 5.002 4.680 5.238 0.018 8 0 "[ . 1 . 2]" 2 1841 1 33 ILE HG12 1 33 ILE MG . . 3.250 2.205 2.056 2.325 . 0 0 "[ . 1 . 2]" 2 1842 1 34 LEU HA 1 35 GLN HA . . 4.720 4.404 4.352 4.468 . 0 0 "[ . 1 . 2]" 2 1843 1 21 ALA MB 1 34 LEU MD2 . . 2.880 1.945 1.786 2.189 . 0 0 "[ . 1 . 2]" 2 1844 1 34 LEU HB3 1 34 LEU MD2 . . 3.310 2.147 1.992 2.240 . 0 0 "[ . 1 . 2]" 2 1845 1 76 LEU HB2 1 76 LEU MD1 . . 3.020 2.328 2.213 2.391 . 0 0 "[ . 1 . 2]" 2 1846 1 50 GLU HA 1 51 TYR QD . . 4.230 3.677 2.930 4.191 . 0 0 "[ . 1 . 2]" 2 1847 1 50 GLU HA 1 51 TYR H . . 2.950 2.311 2.140 2.608 . 0 0 "[ . 1 . 2]" 2 1848 1 36 LEU HB2 1 51 TYR QD . . 5.050 3.418 2.414 3.857 . 0 0 "[ . 1 . 2]" 2 1849 1 51 TYR QD 1 93 ALA HA . . 4.980 3.941 3.084 4.472 . 0 0 "[ . 1 . 2]" 2 1850 1 14 PHE QE 1 51 TYR QD . . 4.040 2.151 1.984 2.655 . 0 0 "[ . 1 . 2]" 2 1851 1 51 TYR H 1 51 TYR QD . . 3.730 2.691 2.051 3.510 . 0 0 "[ . 1 . 2]" 2 1852 1 38 ALA MB 1 51 TYR QE . . 3.520 2.668 1.873 3.439 . 0 0 "[ . 1 . 2]" 2 1853 1 36 LEU HB3 1 51 TYR QE . . 4.640 3.627 2.798 4.289 . 0 0 "[ . 1 . 2]" 2 1854 1 36 LEU HB2 1 51 TYR QE . . 4.840 4.037 3.348 4.762 . 0 0 "[ . 1 . 2]" 2 1855 1 49 ILE HB 1 51 TYR QE . . 4.870 3.274 2.516 4.566 . 0 0 "[ . 1 . 2]" 2 1856 1 37 ARG HA 1 51 TYR QE . . 4.330 3.644 2.899 4.170 . 0 0 "[ . 1 . 2]" 2 1857 1 14 PHE QE 1 51 TYR QE . . 3.860 2.902 2.175 3.420 . 0 0 "[ . 1 . 2]" 2 1858 1 14 PHE QD 1 51 TYR QE . . 4.950 3.874 3.323 4.336 . 0 0 "[ . 1 . 2]" 2 1859 1 37 ARG H 1 51 TYR QE . . 5.500 4.692 4.054 5.202 . 0 0 "[ . 1 . 2]" 2 1860 1 38 ALA H 1 51 TYR QE . . 4.070 3.648 2.357 4.081 0.011 14 0 "[ . 1 . 2]" 2 1861 1 51 TYR H 1 51 TYR QE . . 5.080 4.425 3.804 5.083 0.003 9 0 "[ . 1 . 2]" 2 1862 1 52 VAL HA 1 53 PHE H . . 3.100 2.489 2.291 2.589 . 0 0 "[ . 1 . 2]" 2 1863 1 50 GLU QB 1 52 VAL MG1 . . 3.820 3.208 2.596 3.809 . 0 0 "[ . 1 . 2]" 2 1864 1 53 PHE QD 1 66 LEU HG . . 5.500 5.159 4.727 5.509 0.009 13 0 "[ . 1 . 2]" 2 1865 1 53 PHE QD 1 54 GLY H . . 4.930 3.755 3.254 4.261 . 0 0 "[ . 1 . 2]" 2 1866 1 53 PHE QE 1 66 LEU HB3 . . 5.170 2.767 1.997 3.443 . 0 0 "[ . 1 . 2]" 2 1867 1 53 PHE QE 1 64 LEU MD1 . . 4.580 3.808 3.468 4.021 . 0 0 "[ . 1 . 2]" 2 1868 1 53 PHE QE 1 66 LEU HG . . 5.500 4.972 4.309 5.298 . 0 0 "[ . 1 . 2]" 2 1869 1 53 PHE QE 1 73 LEU MD1 . . 4.940 3.540 2.968 4.121 . 0 0 "[ . 1 . 2]" 2 1870 1 53 PHE QE 1 73 LEU MD2 . . 4.940 4.196 3.288 4.598 . 0 0 "[ . 1 . 2]" 2 1871 1 53 PHE QE 1 66 LEU HB2 . . 5.170 3.332 2.317 3.943 . 0 0 "[ . 1 . 2]" 2 1872 1 53 PHE QE 1 66 LEU H . . 4.760 2.770 2.184 3.658 . 0 0 "[ . 1 . 2]" 2 1873 1 53 PHE HZ 1 66 LEU HB3 . . 5.160 3.662 3.357 4.142 . 0 0 "[ . 1 . 2]" 2 1874 1 53 PHE HZ 1 64 LEU HB3 . . 4.120 3.459 2.893 3.950 . 0 0 "[ . 1 . 2]" 2 1875 1 53 PHE HZ 1 64 LEU HG . . 5.500 5.384 5.190 5.530 0.030 14 0 "[ . 1 . 2]" 2 1876 1 53 PHE HZ 1 64 LEU HB2 . . 4.120 2.786 2.636 2.948 . 0 0 "[ . 1 . 2]" 2 1877 1 53 PHE HZ 1 66 LEU H . . 5.090 4.082 3.365 5.080 . 0 0 "[ . 1 . 2]" 2 1878 1 66 LEU HA 1 74 SER H . . 4.150 3.494 3.064 3.732 . 0 0 "[ . 1 . 2]" 2 1879 1 66 LEU HA 1 67 ASP H . . 3.150 2.206 2.141 2.317 . 0 0 "[ . 1 . 2]" 2 1880 1 57 THR HB 1 58 GLU H . . 3.970 3.271 2.044 3.970 0.000 12 0 "[ . 1 . 2]" 2 1881 1 64 LEU HA 1 64 LEU HG . . 4.190 2.900 2.766 3.178 . 0 0 "[ . 1 . 2]" 2 1882 1 64 LEU HA 1 76 LEU H . . 3.550 2.339 2.110 2.582 . 0 0 "[ . 1 . 2]" 2 1883 1 66 LEU HA 1 66 LEU MD2 . . 4.440 3.786 2.087 4.021 . 0 0 "[ . 1 . 2]" 2 1884 1 66 LEU MD2 1 68 GLU HA . . 4.860 4.530 3.458 4.882 0.022 19 0 "[ . 1 . 2]" 2 1885 1 66 LEU HG 1 68 GLU HA . . 5.410 4.428 3.808 5.429 0.019 18 0 "[ . 1 . 2]" 2 1886 1 68 GLU HA 1 68 GLU QG . . 3.800 3.168 2.712 3.452 . 0 0 "[ . 1 . 2]" 2 1887 1 51 TYR HB2 1 68 GLU HA . . 3.710 2.660 2.070 3.346 . 0 0 "[ . 1 . 2]" 2 1888 1 51 TYR QD 1 68 GLU HA . . 4.180 2.586 1.995 3.795 . 0 0 "[ . 1 . 2]" 2 1889 1 51 TYR H 1 68 GLU HA . . 3.340 2.112 1.881 2.647 . 0 0 "[ . 1 . 2]" 2 1890 1 69 THR MG 1 70 SER HA . . 4.260 3.765 3.516 4.026 . 0 0 "[ . 1 . 2]" 2 1891 1 70 SER HB2 1 72 TRP HD1 . . 3.970 2.250 2.043 2.490 . 0 0 "[ . 1 . 2]" 2 1892 1 70 SER HA 1 72 TRP HD1 . . 4.640 4.435 4.171 4.641 0.001 3 0 "[ . 1 . 2]" 2 1893 1 70 SER HG 1 72 TRP HD1 . . 3.970 2.693 2.051 3.861 . 0 0 "[ . 1 . 2]" 2 1894 1 72 TRP HE3 1 73 LEU H . . 3.960 2.971 2.379 3.811 . 0 0 "[ . 1 . 2]" 2 1895 1 33 ILE H 1 72 TRP HZ3 . . 5.180 4.777 4.335 5.124 . 0 0 "[ . 1 . 2]" 2 1896 1 34 LEU HA 1 72 TRP HH2 . . 5.270 5.077 4.801 5.273 0.003 18 0 "[ . 1 . 2]" 2 1897 1 32 PRO HB2 1 72 TRP HH2 . . 5.130 5.046 4.772 5.137 0.007 3 0 "[ . 1 . 2]" 2 1898 1 73 LEU HG 1 74 SER H . . 5.160 3.248 2.477 3.997 . 0 0 "[ . 1 . 2]" 2 1899 1 34 LEU H 1 73 LEU MD2 . . 4.950 3.688 3.026 4.171 . 0 0 "[ . 1 . 2]" 2 1900 1 34 LEU HG 1 73 LEU MD1 . . 4.820 3.887 2.888 4.834 0.014 13 0 "[ . 1 . 2]" 2 1901 1 91 VAL MG1 1 107 VAL MG2 . . 2.980 2.314 2.000 2.716 . 0 0 "[ . 1 . 2]" 2 1902 1 76 LEU HB3 1 76 LEU MD2 . . 2.990 2.226 2.102 2.373 . 0 0 "[ . 1 . 2]" 2 1903 1 76 LEU HB2 1 76 LEU MD2 . . 3.110 2.428 2.317 2.523 . 0 0 "[ . 1 . 2]" 2 1904 1 76 LEU HG 1 77 HIS HD2 . . 4.870 3.912 2.868 4.726 . 0 0 "[ . 1 . 2]" 2 1905 1 77 HIS HA 1 77 HIS HD2 . . 5.100 4.584 4.300 4.658 . 0 0 "[ . 1 . 2]" 2 1906 1 76 LEU MD2 1 77 HIS HE1 . . 5.500 5.188 4.734 5.493 . 0 0 "[ . 1 . 2]" 2 1907 1 76 LEU MD1 1 77 HIS HE1 . . 5.500 5.307 5.103 5.524 0.024 14 0 "[ . 1 . 2]" 2 1908 1 76 LEU HG 1 77 HIS HE1 . . 5.290 4.678 4.318 4.936 . 0 0 "[ . 1 . 2]" 2 1909 1 23 LEU HG 1 79 ILE MD . . 3.400 3.143 2.874 3.410 0.010 18 0 "[ . 1 . 2]" 2 1910 1 23 LEU MD1 1 79 ILE MD . . 2.950 1.835 1.706 2.105 . 0 0 "[ . 1 . 2]" 2 1911 1 75 VAL MG1 1 79 ILE MD . . 3.280 2.069 1.836 2.431 . 0 0 "[ . 1 . 2]" 2 1912 1 79 ILE HA 1 80 ASP HB2 . . 4.990 4.237 4.052 4.693 . 0 0 "[ . 1 . 2]" 2 1913 1 82 GLU HA 1 84 VAL H . . 4.600 4.319 4.126 4.587 . 0 0 "[ . 1 . 2]" 2 1914 1 84 VAL MG1 1 87 LEU HG . . 4.390 3.913 3.547 4.296 . 0 0 "[ . 1 . 2]" 2 1915 1 88 ARG HA 1 89 PHE HA . . 4.820 4.392 4.371 4.437 . 0 0 "[ . 1 . 2]" 2 1916 1 60 VAL MG2 1 89 PHE HA . . 5.100 4.309 3.592 4.867 . 0 0 "[ . 1 . 2]" 2 1917 1 56 ALA HA 1 89 PHE HA . . 4.350 3.342 3.055 3.604 . 0 0 "[ . 1 . 2]" 2 1918 1 87 LEU HB3 1 89 PHE QD . . 4.660 3.033 2.585 3.321 . 0 0 "[ . 1 . 2]" 2 1919 1 60 VAL MG2 1 89 PHE QE . . 4.890 4.349 3.982 4.711 . 0 0 "[ . 1 . 2]" 2 1920 1 89 PHE QE 1 91 VAL MG2 . . 4.420 4.144 3.730 4.423 0.003 5 0 "[ . 1 . 2]" 2 1921 1 73 LEU MD2 1 89 PHE QE . . 3.750 3.416 2.759 3.755 0.005 8 0 "[ . 1 . 2]" 2 1922 1 89 PHE HZ 1 109 LEU MD2 . . 4.700 3.593 3.274 4.033 . 0 0 "[ . 1 . 2]" 2 1923 1 90 THR HB 1 104 LYS QB . . 4.800 4.174 3.668 4.494 . 0 0 "[ . 1 . 2]" 2 1924 1 90 THR MG 1 104 LYS QD . . 3.300 2.825 2.484 3.277 . 0 0 "[ . 1 . 2]" 2 1925 1 90 THR MG 1 104 LYS QB . . 3.390 1.928 1.810 2.214 . 0 0 "[ . 1 . 2]" 2 1926 1 90 THR MG 1 106 THR MG . . 4.470 4.196 3.935 4.395 . 0 0 "[ . 1 . 2]" 2 1927 1 91 VAL HA 1 91 VAL MG1 . . 3.310 2.271 2.179 2.372 . 0 0 "[ . 1 . 2]" 2 1928 1 92 MET ME 1 102 THR MG . . 3.130 2.864 2.372 3.063 . 0 0 "[ . 1 . 2]" 2 1929 1 92 MET ME 1 92 MET HG3 . . 3.580 2.620 2.511 2.746 . 0 0 "[ . 1 . 2]" 2 1930 1 93 ALA HA 1 94 ARG H . . 3.070 2.179 2.141 2.246 . 0 0 "[ . 1 . 2]" 2 1931 1 81 ARG QD 1 111 ILE MG . . 3.850 3.645 3.247 3.841 . 0 0 "[ . 1 . 2]" 2 1932 1 98 GLN HA 1 100 PRO HB3 . . 4.840 4.108 3.946 4.575 . 0 0 "[ . 1 . 2]" 2 1933 1 98 GLN QG 1 99 PRO HA . . 4.850 4.123 2.922 4.804 . 0 0 "[ . 1 . 2]" 2 1934 1 100 PRO HB2 1 102 THR MG . . 3.410 3.163 2.431 3.422 0.012 10 0 "[ . 1 . 2]" 2 1935 1 100 PRO HG2 1 102 THR MG . . 3.830 3.272 2.460 3.762 . 0 0 "[ . 1 . 2]" 2 1936 1 105 ALA HA 1 106 THR H . . 2.950 2.148 2.140 2.181 . 0 0 "[ . 1 . 2]" 2 1937 1 91 VAL H 1 106 THR HA . . 4.250 4.052 3.811 4.195 . 0 0 "[ . 1 . 2]" 2 1938 1 106 THR HA 1 107 VAL H . . 2.940 2.180 2.142 2.230 . 0 0 "[ . 1 . 2]" 2 1939 1 90 THR HA 1 106 THR HA . . 3.320 2.526 2.270 2.783 . 0 0 "[ . 1 . 2]" 2 1940 1 106 THR MG 1 108 VAL MG2 . . 2.830 2.351 1.931 2.517 . 0 0 "[ . 1 . 2]" 2 1941 1 88 ARG QG 1 106 THR MG . . 3.310 2.775 2.066 3.324 0.014 20 0 "[ . 1 . 2]" 2 1942 1 107 VAL HA 1 108 VAL MG2 . . 4.130 3.859 3.727 3.959 . 0 0 "[ . 1 . 2]" 2 1943 1 88 ARG QG 1 108 VAL MG2 . . 3.250 2.250 1.959 2.769 . 0 0 "[ . 1 . 2]" 2 1944 1 110 ASN HA 1 111 ILE H . . 2.870 2.147 2.140 2.163 . 0 0 "[ . 1 . 2]" 2 1945 1 87 LEU H 1 110 ASN HA . . 4.610 4.370 3.907 4.615 0.005 3 0 "[ . 1 . 2]" 2 1946 1 112 LYS HA 1 112 LYS HG2 . . 4.080 2.854 2.711 3.042 . 0 0 "[ . 1 . 2]" 2 1947 1 112 LYS HA 1 113 ASP H . . 2.800 2.464 2.343 2.608 . 0 0 "[ . 1 . 2]" 2 1948 1 57 THR MG 1 89 PHE HA . . 4.920 4.725 4.299 4.939 0.019 14 0 "[ . 1 . 2]" 2 1949 1 57 THR MG 1 88 ARG H . . 5.270 5.047 4.678 5.295 0.025 14 0 "[ . 1 . 2]" 2 1950 1 57 THR MG 1 59 SER H . . 4.920 3.299 2.003 4.627 . 0 0 "[ . 1 . 2]" 2 1951 1 57 THR MG 1 60 VAL MG2 . . 4.590 2.145 1.670 3.222 . 0 0 "[ . 1 . 2]" 2 1952 1 92 MET ME 1 104 LYS QE . . 4.860 4.302 3.609 4.856 . 0 0 "[ . 1 . 2]" 2 1953 1 92 MET HG2 1 104 LYS QE . . 4.390 3.448 3.170 3.703 . 0 0 "[ . 1 . 2]" 2 1954 1 92 MET HG3 1 104 LYS QE . . 4.490 3.601 2.683 4.292 . 0 0 "[ . 1 . 2]" 2 1955 1 53 PHE HZ 1 66 LEU HB2 . . 5.160 3.285 2.902 4.073 . 0 0 "[ . 1 . 2]" 2 1956 1 55 ALA MB 1 90 THR HB . . 3.960 2.457 2.056 2.988 . 0 0 "[ . 1 . 2]" 2 1957 1 33 ILE MG 1 34 LEU MD1 . . 3.770 3.600 3.261 3.755 . 0 0 "[ . 1 . 2]" 2 1958 1 21 ALA MB 1 34 LEU MD1 . . 4.390 4.177 3.943 4.400 0.010 18 0 "[ . 1 . 2]" 2 1959 1 34 LEU MD1 1 36 LEU HG . . 3.670 2.753 2.273 3.767 0.097 20 0 "[ . 1 . 2]" 2 1960 1 8 ASN QB 1 9 ASP H . . 4.410 3.178 2.199 3.904 . 0 0 "[ . 1 . 2]" 2 1961 1 9 ASP H 1 9 ASP QB . . 3.690 2.739 2.323 3.440 . 0 0 "[ . 1 . 2]" 2 1962 1 9 ASP QB 1 10 ASN H . . 4.320 3.099 2.086 3.952 . 0 0 "[ . 1 . 2]" 2 1963 1 10 ASN H 1 10 ASN QB . . 3.410 2.638 2.347 3.379 . 0 0 "[ . 1 . 2]" 2 1964 1 10 ASN QB 1 10 ASN QD . . 3.060 2.201 2.062 2.440 . 0 0 "[ . 1 . 2]" 2 1965 1 10 ASN QB 1 11 SER H . . 4.360 3.828 3.275 4.025 . 0 0 "[ . 1 . 2]" 2 1966 1 11 SER H 1 11 SER QB . . 3.350 2.664 2.385 3.229 . 0 0 "[ . 1 . 2]" 2 1967 1 11 SER HA 1 12 PRO QG . . 4.800 3.969 3.801 4.141 . 0 0 "[ . 1 . 2]" 2 1968 1 11 SER HA 1 12 PRO QD . . 2.980 2.060 1.900 2.220 . 0 0 "[ . 1 . 2]" 2 1969 1 11 SER HA 1 101 LYS QB . . 4.110 3.369 2.608 3.966 . 0 0 "[ . 1 . 2]" 2 1970 1 11 SER HA 1 101 LYS QG . . 4.340 3.523 2.159 4.323 . 0 0 "[ . 1 . 2]" 2 1971 1 11 SER QB 1 12 PRO HA . . 4.740 4.565 4.449 4.680 . 0 0 "[ . 1 . 2]" 2 1972 1 11 SER QB 1 12 PRO QD . . 3.310 2.143 1.882 2.769 . 0 0 "[ . 1 . 2]" 2 1973 1 11 SER QB 1 101 LYS QB . . 3.930 2.949 2.276 3.827 . 0 0 "[ . 1 . 2]" 2 1974 1 11 SER QB 1 101 LYS QG . . 3.980 2.729 1.976 3.731 . 0 0 "[ . 1 . 2]" 2 1975 1 11 SER QB 1 101 LYS QD . . 4.220 3.350 2.151 4.217 . 0 0 "[ . 1 . 2]" 2 1976 1 11 SER QB 1 101 LYS QE . . 4.770 4.018 3.169 4.770 . 0 0 "[ . 1 . 2]" 2 1977 1 12 PRO QB 1 49 ILE HB . . 5.340 4.636 3.781 5.315 . 0 0 "[ . 1 . 2]" 2 1978 1 12 PRO QB 1 49 ILE MD . . 3.100 1.986 1.830 2.177 . 0 0 "[ . 1 . 2]" 2 1979 1 12 PRO QB 1 93 ALA MB . . 3.480 2.486 2.208 2.728 . 0 0 "[ . 1 . 2]" 2 1980 1 12 PRO QB 1 95 ASP QB . . 5.130 3.028 2.274 3.931 . 0 0 "[ . 1 . 2]" 2 1981 1 12 PRO QB 1 103 ASP QB . . 4.230 3.600 2.861 4.176 . 0 0 "[ . 1 . 2]" 2 1982 1 12 PRO QG 1 49 ILE MG . . 4.530 3.543 2.826 4.173 . 0 0 "[ . 1 . 2]" 2 1983 1 12 PRO QG 1 49 ILE MD . . 3.900 3.124 2.674 3.374 . 0 0 "[ . 1 . 2]" 2 1984 1 12 PRO QG 1 93 ALA MB . . 4.210 3.311 2.921 3.774 . 0 0 "[ . 1 . 2]" 2 1985 1 12 PRO QG 1 94 ARG H . . 5.350 4.999 4.588 5.347 . 0 0 "[ . 1 . 2]" 2 1986 1 12 PRO QG 1 95 ASP H . . 5.200 3.565 2.820 4.302 . 0 0 "[ . 1 . 2]" 2 1987 1 12 PRO QG 1 95 ASP QB . . 4.190 2.496 1.938 3.857 . 0 0 "[ . 1 . 2]" 2 1988 1 12 PRO QG 1 102 THR HA . . 4.300 3.508 3.001 3.953 . 0 0 "[ . 1 . 2]" 2 1989 1 12 PRO QD 1 101 LYS QB . . 3.390 2.065 1.736 2.419 . 0 0 "[ . 1 . 2]" 2 1990 1 13 ARG H 1 13 ARG QB . . 3.560 2.563 2.361 2.729 . 0 0 "[ . 1 . 2]" 2 1991 1 13 ARG H 1 13 ARG QG . . 4.500 3.799 2.945 4.317 . 0 0 "[ . 1 . 2]" 2 1992 1 13 ARG H 1 103 ASP QB . . 5.340 4.743 4.242 5.089 . 0 0 "[ . 1 . 2]" 2 1993 1 13 ARG HA 1 103 ASP QB . . 3.940 2.886 2.025 3.496 . 0 0 "[ . 1 . 2]" 2 1994 1 13 ARG QB 1 13 ARG QD . . 3.090 2.254 2.043 2.711 . 0 0 "[ . 1 . 2]" 2 1995 1 13 ARG QB 1 13 ARG HE . . 4.990 3.379 2.001 4.193 . 0 0 "[ . 1 . 2]" 2 1996 1 13 ARG QB 1 14 PHE H . . 4.390 3.490 2.789 3.895 . 0 0 "[ . 1 . 2]" 2 1997 1 13 ARG QG 1 14 PHE H . . 4.730 3.363 1.894 4.538 . 0 0 "[ . 1 . 2]" 2 1998 1 14 PHE H 1 14 PHE QB . . 3.700 2.337 2.161 2.517 . 0 0 "[ . 1 . 2]" 2 1999 1 14 PHE H 1 103 ASP QB . . 4.440 3.437 2.590 3.959 . 0 0 "[ . 1 . 2]" 2 2000 1 14 PHE HA 1 15 GLU QG . . 4.640 3.879 3.633 4.475 . 0 0 "[ . 1 . 2]" 2 2001 1 14 PHE QB 1 15 GLU H . . 4.410 2.548 2.232 3.144 . 0 0 "[ . 1 . 2]" 2 2002 1 14 PHE QB 1 16 LYS H . . 3.450 2.795 2.598 3.116 . 0 0 "[ . 1 . 2]" 2 2003 1 14 PHE QB 1 17 SER HA . . 4.370 3.953 3.588 4.188 . 0 0 "[ . 1 . 2]" 2 2004 1 14 PHE QB 1 19 TYR QE . . 3.980 2.025 1.920 2.182 . 0 0 "[ . 1 . 2]" 2 2005 1 14 PHE QB 1 105 ALA MB . . 3.680 2.594 1.989 2.951 . 0 0 "[ . 1 . 2]" 2 2006 1 14 PHE QD 1 36 LEU QD . . 4.260 3.192 2.404 3.759 . 0 0 "[ . 1 . 2]" 2 2007 1 14 PHE QD 1 103 ASP QB . . 4.120 3.191 2.801 3.797 . 0 0 "[ . 1 . 2]" 2 2008 1 14 PHE QE 1 36 LEU QD . . 3.570 2.492 1.797 3.095 . 0 0 "[ . 1 . 2]" 2 2009 1 14 PHE HZ 1 36 LEU QD . . 3.910 3.172 2.392 3.774 . 0 0 "[ . 1 . 2]" 2 2010 1 15 GLU H 1 15 GLU QG . . 3.360 2.353 2.094 2.853 . 0 0 "[ . 1 . 2]" 2 2011 1 15 GLU HA 1 15 GLU QG . . 3.470 2.442 2.128 2.751 . 0 0 "[ . 1 . 2]" 2 2012 1 15 GLU QB 1 15 GLU QG . . 2.360 2.049 1.998 2.076 . 0 0 "[ . 1 . 2]" 2 2013 1 15 GLU QB 1 16 LYS H . . 3.670 2.469 2.205 2.578 . 0 0 "[ . 1 . 2]" 2 2014 1 15 GLU QB 1 16 LYS HG2 . . 4.580 3.771 3.325 3.973 . 0 0 "[ . 1 . 2]" 2 2015 1 15 GLU QB 1 16 LYS HG3 . . 4.540 2.496 2.211 2.643 . 0 0 "[ . 1 . 2]" 2 2016 1 15 GLU QB 1 16 LYS HD3 . . 4.640 4.373 2.562 4.689 0.049 2 0 "[ . 1 . 2]" 2 2017 1 15 GLU QB 1 16 LYS QE . . 4.220 3.178 2.449 3.976 . 0 0 "[ . 1 . 2]" 2 2018 1 15 GLU QB 1 37 ARG QB . . 4.560 3.859 3.337 4.414 . 0 0 "[ . 1 . 2]" 2 2019 1 15 GLU QG 1 16 LYS HG3 . . 4.610 4.521 4.333 4.633 0.023 14 0 "[ . 1 . 2]" 2 2020 1 15 GLU QG 1 16 LYS QE . . 5.180 4.674 4.043 5.222 0.042 14 0 "[ . 1 . 2]" 2 2021 1 15 GLU QG 1 37 ARG QB . . 3.820 2.439 1.919 3.005 . 0 0 "[ . 1 . 2]" 2 2022 1 15 GLU QG 1 37 ARG QG . . 4.590 3.923 2.301 4.622 0.032 14 0 "[ . 1 . 2]" 2 2023 1 15 GLU QG 1 39 ALA HA . . 5.340 4.013 1.981 5.159 . 0 0 "[ . 1 . 2]" 2 2024 1 15 GLU QG 1 39 ALA MB . . 4.390 2.881 1.914 3.893 . 0 0 "[ . 1 . 2]" 2 2025 1 16 LYS HA 1 16 LYS QE . . 4.930 4.599 4.420 4.937 0.007 2 0 "[ . 1 . 2]" 2 2026 1 16 LYS QB 1 16 LYS HD2 . . 3.610 2.295 2.051 3.386 . 0 0 "[ . 1 . 2]" 2 2027 1 16 LYS QB 1 16 LYS HD3 . . 3.650 3.144 2.344 3.278 . 0 0 "[ . 1 . 2]" 2 2028 1 16 LYS QB 1 16 LYS QE . . 3.560 2.391 2.177 3.405 . 0 0 "[ . 1 . 2]" 2 2029 1 16 LYS QB 1 17 SER H . . 3.660 3.017 2.633 3.446 . 0 0 "[ . 1 . 2]" 2 2030 1 16 LYS QB 1 18 VAL H . . 3.560 2.956 2.588 3.170 . 0 0 "[ . 1 . 2]" 2 2031 1 16 LYS QB 1 18 VAL HB . . 5.180 4.817 4.579 4.972 . 0 0 "[ . 1 . 2]" 2 2032 1 16 LYS QB 1 19 TYR HA . . 4.310 3.006 2.874 3.274 . 0 0 "[ . 1 . 2]" 2 2033 1 16 LYS QB 1 19 TYR QE . . 4.670 2.923 2.592 3.679 . 0 0 "[ . 1 . 2]" 2 2034 1 16 LYS QE 1 16 LYS HG2 . . 3.510 3.222 2.383 3.485 . 0 0 "[ . 1 . 2]" 2 2035 1 16 LYS QE 1 16 LYS HG3 . . 3.380 2.317 2.076 3.407 0.027 14 0 "[ . 1 . 2]" 2 2036 1 16 LYS QE 1 19 TYR HA . . 3.910 2.981 1.857 3.919 0.009 2 0 "[ . 1 . 2]" 2 2037 1 16 LYS QE 1 19 TYR QD . . 4.060 3.093 2.700 3.886 . 0 0 "[ . 1 . 2]" 2 2038 1 16 LYS QE 1 19 TYR QE . . 4.290 3.055 2.668 3.695 . 0 0 "[ . 1 . 2]" 2 2039 1 16 LYS QE 1 20 GLU H . . 4.720 4.214 2.556 4.720 . 0 0 "[ . 1 . 2]" 2 2040 1 17 SER H 1 18 VAL QG . . 5.440 4.474 4.273 4.631 . 0 0 "[ . 1 . 2]" 2 2041 1 17 SER HA 1 18 VAL QG . . 4.610 4.030 3.830 4.139 . 0 0 "[ . 1 . 2]" 2 2042 1 17 SER QB 1 18 VAL QG . . 3.260 2.594 2.328 3.092 . 0 0 "[ . 1 . 2]" 2 2043 1 18 VAL H 1 18 VAL QG . . 3.230 2.789 2.619 2.923 . 0 0 "[ . 1 . 2]" 2 2044 1 18 VAL QG 1 19 TYR H . . 3.270 3.057 2.819 3.234 . 0 0 "[ . 1 . 2]" 2 2045 1 18 VAL QG 1 19 TYR HA . . 4.400 4.200 4.088 4.326 . 0 0 "[ . 1 . 2]" 2 2046 1 18 VAL QG 1 20 GLU H . . 4.300 3.994 3.710 4.264 . 0 0 "[ . 1 . 2]" 2 2047 1 18 VAL QG 1 20 GLU HA . . 4.330 3.853 3.625 4.019 . 0 0 "[ . 1 . 2]" 2 2048 1 18 VAL QG 1 20 GLU HB2 . . 4.370 3.165 2.795 3.468 . 0 0 "[ . 1 . 2]" 2 2049 1 18 VAL QG 1 20 GLU HB3 . . 4.940 4.644 4.321 4.878 . 0 0 "[ . 1 . 2]" 2 2050 1 18 VAL QG 1 20 GLU HG3 . . 4.210 4.052 3.848 4.196 . 0 0 "[ . 1 . 2]" 2 2051 1 18 VAL QG 1 106 THR H . . 3.630 3.140 2.830 3.374 . 0 0 "[ . 1 . 2]" 2 2052 1 18 VAL QG 1 106 THR HB . . 2.980 1.905 1.754 2.109 . 0 0 "[ . 1 . 2]" 2 2053 1 18 VAL QG 1 107 VAL HA . . 4.110 3.289 3.193 3.423 . 0 0 "[ . 1 . 2]" 2 2054 1 18 VAL QG 1 107 VAL HB . . 5.440 5.441 5.417 5.491 0.051 14 0 "[ . 1 . 2]" 2 2055 1 18 VAL QG 1 108 VAL H . . 4.130 2.770 2.530 3.043 . 0 0 "[ . 1 . 2]" 2 2056 1 19 TYR QB 1 36 LEU QD . . 4.080 3.462 2.900 4.033 . 0 0 "[ . 1 . 2]" 2 2057 1 19 TYR QD 1 36 LEU QD . . 3.790 3.000 2.386 3.594 . 0 0 "[ . 1 . 2]" 2 2058 1 19 TYR QE 1 36 LEU QD . . 4.070 2.983 2.410 3.555 . 0 0 "[ . 1 . 2]" 2 2059 1 21 ALA HA 1 22 ASP QB . . 4.310 4.212 4.098 4.311 0.001 17 0 "[ . 1 . 2]" 2 2060 1 21 ALA MB 1 34 LEU QB . . 4.150 3.102 2.791 3.346 . 0 0 "[ . 1 . 2]" 2 2061 1 22 ASP H 1 22 ASP QB . . 3.210 2.629 2.252 3.035 . 0 0 "[ . 1 . 2]" 2 2062 1 22 ASP HA 1 112 LYS QG . . 4.170 3.385 2.912 3.697 . 0 0 "[ . 1 . 2]" 2 2063 1 22 ASP QB 1 23 LEU H . . 3.800 3.446 3.253 3.682 . 0 0 "[ . 1 . 2]" 2 2064 1 22 ASP QB 1 23 LEU HA . . 5.060 4.583 4.187 4.757 . 0 0 "[ . 1 . 2]" 2 2065 1 22 ASP QB 1 112 LYS HB2 . . 4.700 4.020 3.673 4.437 . 0 0 "[ . 1 . 2]" 2 2066 1 22 ASP QB 1 112 LYS QG . . 3.270 2.059 1.885 2.370 . 0 0 "[ . 1 . 2]" 2 2067 1 22 ASP QB 1 112 LYS QD . . 3.720 3.147 2.295 3.605 . 0 0 "[ . 1 . 2]" 2 2068 1 22 ASP QB 1 112 LYS QE . . 4.010 3.322 2.380 4.005 . 0 0 "[ . 1 . 2]" 2 2069 1 23 LEU H 1 23 LEU QB . . 3.310 2.396 2.298 2.497 . 0 0 "[ . 1 . 2]" 2 2070 1 23 LEU H 1 112 LYS QG . . 3.960 3.542 2.655 3.844 . 0 0 "[ . 1 . 2]" 2 2071 1 23 LEU QB 1 23 LEU MD2 . . 2.970 2.366 2.276 2.437 . 0 0 "[ . 1 . 2]" 2 2072 1 23 LEU QB 1 64 LEU MD2 . . 4.530 4.452 4.058 4.558 0.028 20 0 "[ . 1 . 2]" 2 2073 1 23 LEU QB 1 75 VAL MG2 . . 5.020 4.489 4.093 4.701 . 0 0 "[ . 1 . 2]" 2 2074 1 23 LEU QB 1 109 LEU HB3 . . 3.660 2.507 2.290 2.874 . 0 0 "[ . 1 . 2]" 2 2075 1 23 LEU QB 1 109 LEU MD2 . . 3.960 2.902 2.743 3.102 . 0 0 "[ . 1 . 2]" 2 2076 1 23 LEU QB 1 111 ILE MD . . 3.770 2.793 2.504 3.194 . 0 0 "[ . 1 . 2]" 2 2077 1 23 LEU MD1 1 27 SER QB . . 4.440 2.174 1.885 2.860 . 0 0 "[ . 1 . 2]" 2 2078 1 23 LEU MD2 1 27 SER QB . . 3.380 2.911 2.504 3.166 . 0 0 "[ . 1 . 2]" 2 2079 1 24 ALA HA 1 25 GLU QG . . 5.340 4.051 3.677 5.008 . 0 0 "[ . 1 . 2]" 2 2080 1 24 ALA MB 1 25 GLU QG . . 4.850 3.971 3.799 4.837 . 0 0 "[ . 1 . 2]" 2 2081 1 24 ALA MB 1 26 ASN QB . . 5.090 3.333 2.807 4.373 . 0 0 "[ . 1 . 2]" 2 2082 1 24 ALA MB 1 27 SER QB . . 4.180 3.280 1.986 4.025 . 0 0 "[ . 1 . 2]" 2 2083 1 24 ALA MB 1 114 GLU QB . . 3.830 2.865 2.076 3.846 0.016 11 0 "[ . 1 . 2]" 2 2084 1 25 GLU H 1 25 GLU QG . . 3.520 2.457 2.082 3.334 . 0 0 "[ . 1 . 2]" 2 2085 1 25 GLU HA 1 25 GLU QG . . 3.730 3.389 3.330 3.529 . 0 0 "[ . 1 . 2]" 2 2086 1 25 GLU HB2 1 81 ARG QB . . 4.370 2.500 2.072 2.837 . 0 0 "[ . 1 . 2]" 2 2087 1 25 GLU HB2 1 81 ARG QG . . 4.710 4.105 3.282 4.675 . 0 0 "[ . 1 . 2]" 2 2088 1 25 GLU HB3 1 81 ARG QB . . 4.640 2.517 2.126 3.085 . 0 0 "[ . 1 . 2]" 2 2089 1 25 GLU HB3 1 81 ARG QG . . 5.220 3.497 2.966 4.065 . 0 0 "[ . 1 . 2]" 2 2090 1 25 GLU QG 1 26 ASN QB . . 4.810 3.021 2.473 3.626 . 0 0 "[ . 1 . 2]" 2 2091 1 25 GLU QG 1 81 ARG H . . 4.600 3.824 2.993 4.601 0.001 3 0 "[ . 1 . 2]" 2 2092 1 25 GLU QG 1 81 ARG HA . . 5.340 4.991 4.174 5.351 0.011 9 0 "[ . 1 . 2]" 2 2093 1 25 GLU QG 1 111 ILE MG . . 3.750 3.389 3.121 3.641 . 0 0 "[ . 1 . 2]" 2 2094 1 25 GLU QG 1 113 ASP HA . . 3.880 2.454 2.008 2.975 . 0 0 "[ . 1 . 2]" 2 2095 1 25 GLU QG 1 113 ASP QB . . 5.110 3.950 3.221 4.495 . 0 0 "[ . 1 . 2]" 2 2096 1 25 GLU QG 1 114 GLU H . . 3.340 2.775 2.235 3.318 . 0 0 "[ . 1 . 2]" 2 2097 1 26 ASN QB 1 26 ASN QD . . 3.070 2.175 2.066 2.502 . 0 0 "[ . 1 . 2]" 2 2098 1 26 ASN QB 1 114 GLU QG . . 4.690 3.146 1.814 4.472 . 0 0 "[ . 1 . 2]" 2 2099 1 27 SER H 1 27 SER QB . . 3.190 2.423 2.205 2.679 . 0 0 "[ . 1 . 2]" 2 2100 1 27 SER QB 1 28 ALA H . . 3.760 3.253 2.958 3.514 . 0 0 "[ . 1 . 2]" 2 2101 1 27 SER QB 1 28 ALA MB . . 5.080 4.406 4.267 4.577 . 0 0 "[ . 1 . 2]" 2 2102 1 27 SER QB 1 31 THR H . . 4.470 4.149 3.916 4.312 . 0 0 "[ . 1 . 2]" 2 2103 1 27 SER QB 1 31 THR MG . . 3.380 2.816 2.268 3.139 . 0 0 "[ . 1 . 2]" 2 2104 1 27 SER QB 1 31 THR HG1 . . 4.250 2.875 2.128 3.380 . 0 0 "[ . 1 . 2]" 2 2105 1 27 SER QB 1 75 VAL MG2 . . 3.380 2.427 1.928 3.042 . 0 0 "[ . 1 . 2]" 2 2106 1 27 SER QB 1 79 ILE MD . . 4.090 2.797 2.001 4.024 . 0 0 "[ . 1 . 2]" 2 2107 1 28 ALA HA 1 78 ARG QG . . 5.250 3.940 3.104 5.263 0.013 17 0 "[ . 1 . 2]" 2 2108 1 28 ALA MB 1 29 PRO QG . . 4.610 3.385 3.307 3.500 . 0 0 "[ . 1 . 2]" 2 2109 1 28 ALA MB 1 29 PRO QD . . 2.890 1.933 1.873 2.056 . 0 0 "[ . 1 . 2]" 2 2110 1 29 PRO HA 1 30 GLY QA . . 5.020 4.092 3.904 4.201 . 0 0 "[ . 1 . 2]" 2 2111 1 29 PRO QG 1 77 HIS HA . . 4.100 4.028 3.710 4.117 0.017 20 0 "[ . 1 . 2]" 2 2112 1 29 PRO QG 1 78 ARG H . . 4.440 4.023 2.913 4.426 . 0 0 "[ . 1 . 2]" 2 2113 1 29 PRO QG 1 78 ARG QD . . 5.000 4.214 2.702 4.996 . 0 0 "[ . 1 . 2]" 2 2114 1 29 PRO QD 1 78 ARG HA . . 4.450 3.471 2.591 3.901 . 0 0 "[ . 1 . 2]" 2 2115 1 29 PRO QD 1 78 ARG QB . . 4.920 4.195 2.240 4.735 . 0 0 "[ . 1 . 2]" 2 2116 1 29 PRO QD 1 78 ARG QG . . 4.550 2.709 1.965 4.534 . 0 0 "[ . 1 . 2]" 2 2117 1 31 THR H 1 32 PRO QD . . 4.780 4.250 4.123 4.339 . 0 0 "[ . 1 . 2]" 2 2118 1 31 THR HA 1 32 PRO QG . . 4.280 3.824 3.780 3.868 . 0 0 "[ . 1 . 2]" 2 2119 1 31 THR MG 1 32 PRO QG . . 4.530 3.112 2.892 3.329 . 0 0 "[ . 1 . 2]" 2 2120 1 31 THR MG 1 32 PRO QD . . 3.040 1.998 1.812 2.188 . 0 0 "[ . 1 . 2]" 2 2121 1 33 ILE MG 1 34 LEU QB . . 3.730 2.907 2.681 3.101 . 0 0 "[ . 1 . 2]" 2 2122 1 33 ILE MG 1 73 LEU QD . . 3.540 2.741 2.022 3.185 . 0 0 "[ . 1 . 2]" 2 2123 1 33 ILE MD 1 73 LEU QD . . 2.770 1.944 1.695 2.557 . 0 0 "[ . 1 . 2]" 2 2124 1 34 LEU H 1 73 LEU QD . . 4.340 3.524 3.001 3.819 . 0 0 "[ . 1 . 2]" 2 2125 1 34 LEU HA 1 35 GLN QB . . 4.200 4.011 3.947 4.051 . 0 0 "[ . 1 . 2]" 2 2126 1 34 LEU QB 1 34 LEU MD1 . . 3.210 2.069 1.999 2.184 . 0 0 "[ . 1 . 2]" 2 2127 1 34 LEU QB 1 34 LEU MD2 . . 2.880 2.044 1.939 2.096 . 0 0 "[ . 1 . 2]" 2 2128 1 34 LEU QB 1 35 GLN H . . 3.360 2.346 2.028 2.732 . 0 0 "[ . 1 . 2]" 2 2129 1 34 LEU QB 1 73 LEU QD . . 5.250 4.456 4.143 4.734 . 0 0 "[ . 1 . 2]" 2 2130 1 34 LEU HG 1 36 LEU QD . . 4.440 4.087 3.364 4.440 0.000 17 0 "[ . 1 . 2]" 2 2131 1 34 LEU HG 1 73 LEU QD . . 3.580 2.945 2.310 3.367 . 0 0 "[ . 1 . 2]" 2 2132 1 34 LEU MD1 1 36 LEU QD . . 2.960 1.999 1.607 2.256 . 0 0 "[ . 1 . 2]" 2 2133 1 34 LEU MD1 1 73 LEU QD . . 3.270 2.485 2.049 2.800 . 0 0 "[ . 1 . 2]" 2 2134 1 34 LEU MD2 1 36 LEU QD . . 3.770 3.599 3.260 3.784 0.014 18 0 "[ . 1 . 2]" 2 2135 1 34 LEU MD2 1 73 LEU QD . . 3.680 3.320 2.883 3.682 0.002 9 0 "[ . 1 . 2]" 2 2136 1 35 GLN H 1 35 GLN QB . . 3.280 2.402 2.263 2.548 . 0 0 "[ . 1 . 2]" 2 2137 1 35 GLN HA 1 35 GLN QG . . 3.600 2.616 2.413 3.145 . 0 0 "[ . 1 . 2]" 2 2138 1 35 GLN QB 1 72 TRP HA . . 4.760 3.241 2.494 3.634 . 0 0 "[ . 1 . 2]" 2 2139 1 35 GLN QB 1 72 TRP HE3 . . 5.340 3.353 2.876 3.678 . 0 0 "[ . 1 . 2]" 2 2140 1 35 GLN QB 1 72 TRP HZ2 . . 4.680 3.481 3.224 4.199 . 0 0 "[ . 1 . 2]" 2 2141 1 35 GLN QB 1 72 TRP HH2 . . 5.180 3.552 3.132 4.094 . 0 0 "[ . 1 . 2]" 2 2142 1 35 GLN QG 1 36 LEU HA . . 5.340 4.186 3.730 4.594 . 0 0 "[ . 1 . 2]" 2 2143 1 35 GLN QG 1 37 ARG QG . . 4.390 2.750 2.024 3.812 . 0 0 "[ . 1 . 2]" 2 2144 1 35 GLN QG 1 71 GLY QA . . 5.180 3.784 3.124 4.990 . 0 0 "[ . 1 . 2]" 2 2145 1 35 GLN QG 1 72 TRP HA . . 4.250 3.195 2.330 4.266 0.016 12 0 "[ . 1 . 2]" 2 2146 1 35 GLN QE 1 70 SER HA . . 4.650 4.441 3.947 4.657 0.007 11 0 "[ . 1 . 2]" 2 2147 1 35 GLN QE 1 70 SER QB . . 4.390 3.516 2.938 3.852 . 0 0 "[ . 1 . 2]" 2 2148 1 35 GLN QE 1 72 TRP HD1 . . 4.580 2.840 2.354 3.857 . 0 0 "[ . 1 . 2]" 2 2149 1 36 LEU H 1 71 GLY QA . . 4.180 3.787 3.344 4.179 . 0 0 "[ . 1 . 2]" 2 2150 1 36 LEU HA 1 36 LEU QD . . 3.180 2.421 1.880 3.142 . 0 0 "[ . 1 . 2]" 2 2151 1 36 LEU HB2 1 66 LEU QD . . 3.990 3.576 3.130 3.998 0.008 18 0 "[ . 1 . 2]" 2 2152 1 36 LEU HB2 1 71 GLY QA . . 4.160 3.337 2.913 3.666 . 0 0 "[ . 1 . 2]" 2 2153 1 36 LEU HB3 1 36 LEU QD . . 2.970 2.113 2.008 2.333 . 0 0 "[ . 1 . 2]" 2 2154 1 36 LEU HB3 1 71 GLY QA . . 5.340 4.608 3.978 5.124 . 0 0 "[ . 1 . 2]" 2 2155 1 36 LEU HG 1 66 LEU QD . . 4.640 3.739 2.622 4.642 0.002 19 0 "[ . 1 . 2]" 2 2156 1 36 LEU QD 1 37 ARG H . . 4.200 3.727 3.197 4.227 0.027 18 0 "[ . 1 . 2]" 2 2157 1 36 LEU QD 1 51 TYR HB2 . . 4.400 3.408 2.895 4.404 0.004 20 0 "[ . 1 . 2]" 2 2158 1 36 LEU QD 1 51 TYR HB3 . . 4.080 2.483 1.841 3.928 . 0 0 "[ . 1 . 2]" 2 2159 1 36 LEU QD 1 51 TYR QD . . 3.840 2.996 1.971 3.839 . 0 0 "[ . 1 . 2]" 2 2160 1 36 LEU QD 1 66 LEU QD . . 2.750 1.952 1.709 2.231 . 0 0 "[ . 1 . 2]" 2 2161 1 36 LEU QD 1 71 GLY QA . . 4.430 3.665 2.905 4.145 . 0 0 "[ . 1 . 2]" 2 2162 1 36 LEU QD 1 73 LEU HB2 . . 4.090 2.786 2.046 3.603 . 0 0 "[ . 1 . 2]" 2 2163 1 36 LEU QD 1 73 LEU HG . . 4.960 4.114 3.246 4.961 0.001 13 0 "[ . 1 . 2]" 2 2164 1 36 LEU QD 1 73 LEU QD . . 4.220 2.418 1.902 2.872 . 0 0 "[ . 1 . 2]" 2 2165 1 36 LEU QD 1 89 PHE QE . . 5.440 3.961 3.416 4.506 . 0 0 "[ . 1 . 2]" 2 2166 1 36 LEU QD 1 91 VAL HB . . 3.530 2.696 2.121 3.550 0.020 20 0 "[ . 1 . 2]" 2 2167 1 36 LEU QD 1 91 VAL MG1 . . 3.840 2.242 1.856 2.835 . 0 0 "[ . 1 . 2]" 2 2168 1 36 LEU QD 1 91 VAL MG2 . . 3.300 1.962 1.713 2.178 . 0 0 "[ . 1 . 2]" 2 2169 1 36 LEU QD 1 105 ALA MB . . 4.680 3.424 3.146 3.854 . 0 0 "[ . 1 . 2]" 2 2170 1 36 LEU QD 1 107 VAL HB . . 5.440 4.898 4.347 5.331 . 0 0 "[ . 1 . 2]" 2 2171 1 36 LEU QD 1 107 VAL MG1 . . 4.240 3.735 3.390 4.196 . 0 0 "[ . 1 . 2]" 2 2172 1 36 LEU QD 1 107 VAL MG2 . . 3.110 2.726 2.191 3.048 . 0 0 "[ . 1 . 2]" 2 2173 1 37 ARG QB 1 39 ALA H . . 4.170 2.745 2.473 3.158 . 0 0 "[ . 1 . 2]" 2 2174 1 39 ALA MB 1 40 ASP QB . . 5.340 4.501 3.122 5.198 . 0 0 "[ . 1 . 2]" 2 2175 1 40 ASP HA 1 41 LEU QB . . 5.340 4.752 4.039 5.383 0.043 13 0 "[ . 1 . 2]" 2 2176 1 40 ASP HA 1 41 LEU QD . . 5.440 4.438 4.182 4.746 . 0 0 "[ . 1 . 2]" 2 2177 1 40 ASP QB 1 41 LEU H . . 3.920 3.457 2.465 3.941 0.021 11 0 "[ . 1 . 2]" 2 2178 1 40 ASP QB 1 41 LEU HG . . 5.340 4.217 2.534 5.362 0.022 1 0 "[ . 1 . 2]" 2 2179 1 40 ASP QB 1 41 LEU QD . . 5.280 4.193 2.997 5.151 . 0 0 "[ . 1 . 2]" 2 2180 1 41 LEU H 1 41 LEU QB . . 3.410 2.865 2.411 3.301 . 0 0 "[ . 1 . 2]" 2 2181 1 41 LEU H 1 41 LEU QD . . 3.820 3.427 3.063 3.591 . 0 0 "[ . 1 . 2]" 2 2182 1 41 LEU HA 1 41 LEU QD . . 2.890 2.318 2.155 2.520 . 0 0 "[ . 1 . 2]" 2 2183 1 41 LEU QB 1 41 LEU QD . . 2.780 1.872 1.818 1.915 . 0 0 "[ . 1 . 2]" 2 2184 1 41 LEU QB 1 42 ASP H . . 3.750 2.892 1.873 3.751 0.001 19 0 "[ . 1 . 2]" 2 2185 1 41 LEU QB 1 42 ASP HA . . 4.790 4.195 3.902 4.834 0.044 11 0 "[ . 1 . 2]" 2 2186 1 41 LEU QB 1 42 ASP QB . . 5.180 4.148 3.419 5.069 . 0 0 "[ . 1 . 2]" 2 2187 1 41 LEU QB 1 43 VAL H . . 5.210 4.471 2.771 5.159 . 0 0 "[ . 1 . 2]" 2 2188 1 42 ASP H 1 42 ASP QB . . 3.450 2.634 2.194 3.480 0.030 15 0 "[ . 1 . 2]" 2 2189 1 42 ASP H 1 45 VAL QG . . 4.650 4.133 2.374 4.657 0.007 7 0 "[ . 1 . 2]" 2 2190 1 42 ASP HA 1 43 VAL QG . . 4.010 3.502 3.041 3.939 . 0 0 "[ . 1 . 2]" 2 2191 1 42 ASP QB 1 43 VAL H . . 3.960 3.841 3.608 3.976 0.016 11 0 "[ . 1 . 2]" 2 2192 1 42 ASP QB 1 45 VAL H . . 4.930 3.837 2.613 4.936 0.006 5 0 "[ . 1 . 2]" 2 2193 1 42 ASP QB 1 45 VAL HB . . 4.400 3.619 1.942 4.420 0.020 14 0 "[ . 1 . 2]" 2 2194 1 42 ASP QB 1 45 VAL QG . . 3.450 2.512 1.784 3.464 0.014 8 0 "[ . 1 . 2]" 2 2195 1 43 VAL H 1 43 VAL QG . . 3.270 2.283 1.836 3.166 . 0 0 "[ . 1 . 2]" 2 2196 1 43 VAL QG 1 44 GLY H . . 3.800 3.450 2.433 3.749 . 0 0 "[ . 1 . 2]" 2 2197 1 43 VAL QG 1 44 GLY QA . . 4.230 3.563 2.950 3.942 . 0 0 "[ . 1 . 2]" 2 2198 1 44 GLY H 1 45 VAL QG . . 4.570 3.529 2.566 4.401 . 0 0 "[ . 1 . 2]" 2 2199 1 44 GLY QA 1 45 VAL H . . 3.120 2.433 2.111 2.780 . 0 0 "[ . 1 . 2]" 2 2200 1 44 GLY QA 1 45 VAL HB . . 5.340 4.820 4.261 5.420 0.080 10 0 "[ . 1 . 2]" 2 2201 1 44 GLY QA 1 45 VAL QG . . 4.310 3.706 3.281 4.055 . 0 0 "[ . 1 . 2]" 2 2202 1 45 VAL H 1 45 VAL QG . . 3.100 2.205 1.913 2.558 . 0 0 "[ . 1 . 2]" 2 2203 1 45 VAL HA 1 45 VAL QG . . 2.980 2.206 2.037 2.374 . 0 0 "[ . 1 . 2]" 2 2204 1 45 VAL QG 1 46 ASN H . . 3.730 2.369 1.777 3.334 . 0 0 "[ . 1 . 2]" 2 2205 1 45 VAL QG 1 46 ASN QB . . 4.290 3.573 2.699 4.235 . 0 0 "[ . 1 . 2]" 2 2206 1 45 VAL QG 1 46 ASN QD . . 5.220 4.509 2.995 5.195 . 0 0 "[ . 1 . 2]" 2 2207 1 45 VAL QG 1 47 GLY H . . 4.090 2.104 1.825 2.707 . 0 0 "[ . 1 . 2]" 2 2208 1 45 VAL QG 1 47 GLY QA . . 4.110 2.836 2.313 3.921 . 0 0 "[ . 1 . 2]" 2 2209 1 45 VAL QG 1 48 GLN HA . . 5.230 4.517 3.497 5.227 . 0 0 "[ . 1 . 2]" 2 2210 1 45 VAL QG 1 48 GLN QB . . 5.120 4.107 2.730 5.139 0.019 6 0 "[ . 1 . 2]" 2 2211 1 45 VAL QG 1 48 GLN QG . . 4.170 3.578 2.385 4.206 0.036 19 0 "[ . 1 . 2]" 2 2212 1 46 ASN H 1 46 ASN QB . . 3.620 2.474 2.168 3.222 . 0 0 "[ . 1 . 2]" 2 2213 1 48 GLN H 1 48 GLN QB . . 3.430 2.587 2.254 3.354 . 0 0 "[ . 1 . 2]" 2 2214 1 48 GLN HA 1 48 GLN QG . . 3.360 2.535 2.154 3.306 . 0 0 "[ . 1 . 2]" 2 2215 1 48 GLN QB 1 49 ILE H . . 4.140 3.821 3.474 3.907 . 0 0 "[ . 1 . 2]" 2 2216 1 49 ILE H 1 49 ILE QG . . 3.620 2.566 1.892 3.010 . 0 0 "[ . 1 . 2]" 2 2217 1 49 ILE QG 1 49 ILE MG . . 3.320 2.315 2.187 2.423 . 0 0 "[ . 1 . 2]" 2 2218 1 49 ILE MG 1 94 ARG QB . . 5.090 4.397 3.873 5.103 0.013 11 0 "[ . 1 . 2]" 2 2219 1 49 ILE MD 1 95 ASP QB . . 3.670 2.312 1.791 2.909 . 0 0 "[ . 1 . 2]" 2 2220 1 50 GLU QG 1 94 ARG QB . . 5.340 3.440 1.918 5.036 . 0 0 "[ . 1 . 2]" 2 2221 1 50 GLU QG 1 94 ARG QG . . 4.220 3.424 2.026 4.218 . 0 0 "[ . 1 . 2]" 2 2222 1 51 TYR H 1 66 LEU QD . . 5.440 4.358 3.951 4.541 . 0 0 "[ . 1 . 2]" 2 2223 1 51 TYR HA 1 66 LEU QD . . 4.420 3.724 3.508 4.127 . 0 0 "[ . 1 . 2]" 2 2224 1 51 TYR HB2 1 66 LEU QD . . 3.460 2.612 2.151 2.862 . 0 0 "[ . 1 . 2]" 2 2225 1 51 TYR HB3 1 71 GLY QA . . 4.650 3.765 3.416 4.296 . 0 0 "[ . 1 . 2]" 2 2226 1 51 TYR QD 1 66 LEU QD . . 3.930 3.775 3.299 3.933 0.003 6 0 "[ . 1 . 2]" 2 2227 1 51 TYR QD 1 71 GLY QA . . 3.850 2.112 1.777 2.788 . 0 0 "[ . 1 . 2]" 2 2228 1 52 VAL H 1 66 LEU QD . . 4.040 3.524 3.091 3.840 . 0 0 "[ . 1 . 2]" 2 2229 1 52 VAL H 1 92 MET QB . . 4.370 3.562 3.264 3.788 . 0 0 "[ . 1 . 2]" 2 2230 1 52 VAL HA 1 66 LEU QD . . 3.410 2.431 1.937 2.899 . 0 0 "[ . 1 . 2]" 2 2231 1 52 VAL HB 1 66 LEU QD . . 4.720 4.260 3.801 4.612 . 0 0 "[ . 1 . 2]" 2 2232 1 52 VAL MG1 1 66 LEU QD . . 4.260 3.870 3.467 4.187 . 0 0 "[ . 1 . 2]" 2 2233 1 52 VAL MG1 1 92 MET QB . . 5.090 4.464 4.335 4.563 . 0 0 "[ . 1 . 2]" 2 2234 1 52 VAL MG2 1 66 LEU QD . . 4.480 4.118 3.803 4.381 . 0 0 "[ . 1 . 2]" 2 2235 1 52 VAL MG2 1 92 MET QB . . 2.900 2.163 2.051 2.331 . 0 0 "[ . 1 . 2]" 2 2236 1 52 VAL MG2 1 94 ARG QG . . 3.680 2.920 2.601 3.233 . 0 0 "[ . 1 . 2]" 2 2237 1 53 PHE H 1 66 LEU QD . . 4.080 3.209 2.720 3.782 . 0 0 "[ . 1 . 2]" 2 2238 1 53 PHE HA 1 66 LEU QD . . 4.410 3.154 2.752 4.381 . 0 0 "[ . 1 . 2]" 2 2239 1 53 PHE QD 1 60 VAL QG . . 4.880 3.688 3.011 4.314 . 0 0 "[ . 1 . 2]" 2 2240 1 53 PHE QD 1 66 LEU QD . . 4.600 3.259 2.097 4.155 . 0 0 "[ . 1 . 2]" 2 2241 1 53 PHE QD 1 73 LEU QD . . 5.440 4.652 4.227 4.949 . 0 0 "[ . 1 . 2]" 2 2242 1 53 PHE QE 1 60 VAL QG . . 3.770 2.711 2.124 3.652 . 0 0 "[ . 1 . 2]" 2 2243 1 53 PHE QE 1 61 ARG QB . . 5.340 3.759 2.903 4.869 . 0 0 "[ . 1 . 2]" 2 2244 1 53 PHE QE 1 61 ARG QG . . 5.340 4.644 3.245 5.349 0.009 20 0 "[ . 1 . 2]" 2 2245 1 53 PHE QE 1 64 LEU QB . . 5.230 3.618 3.431 3.804 . 0 0 "[ . 1 . 2]" 2 2246 1 53 PHE QE 1 66 LEU QB . . 4.490 2.628 1.886 3.077 . 0 0 "[ . 1 . 2]" 2 2247 1 53 PHE QE 1 66 LEU QD . . 4.480 3.430 2.460 4.174 . 0 0 "[ . 1 . 2]" 2 2248 1 53 PHE QE 1 73 LEU QD . . 4.120 3.345 2.762 3.667 . 0 0 "[ . 1 . 2]" 2 2249 1 53 PHE HZ 1 60 VAL QG . . 4.180 3.341 2.817 4.020 . 0 0 "[ . 1 . 2]" 2 2250 1 53 PHE HZ 1 64 LEU QB . . 3.520 2.665 2.457 2.861 . 0 0 "[ . 1 . 2]" 2 2251 1 53 PHE HZ 1 66 LEU QB . . 4.350 3.050 2.772 3.658 . 0 0 "[ . 1 . 2]" 2 2252 1 53 PHE HZ 1 66 LEU QD . . 5.160 4.020 3.614 4.820 . 0 0 "[ . 1 . 2]" 2 2253 1 53 PHE HZ 1 73 LEU QD . . 3.820 3.156 2.607 3.786 . 0 0 "[ . 1 . 2]" 2 2254 1 54 GLY H 1 92 MET QB . . 5.230 3.574 3.084 4.155 . 0 0 "[ . 1 . 2]" 2 2255 1 54 GLY HA2 1 104 LYS QG . . 5.340 4.292 4.027 4.595 . 0 0 "[ . 1 . 2]" 2 2256 1 54 GLY HA3 1 104 LYS QG . . 5.340 3.118 2.839 3.401 . 0 0 "[ . 1 . 2]" 2 2257 1 56 ALA MB 1 60 VAL QG . . 3.170 2.440 1.933 2.771 . 0 0 "[ . 1 . 2]" 2 2258 1 56 ALA MB 1 89 PHE QB . . 3.730 2.167 1.954 2.518 . 0 0 "[ . 1 . 2]" 2 2259 1 57 THR H 1 60 VAL QG . . 3.710 2.709 2.013 3.492 . 0 0 "[ . 1 . 2]" 2 2260 1 57 THR HA 1 58 GLU QB . . 4.670 4.418 4.168 4.634 . 0 0 "[ . 1 . 2]" 2 2261 1 57 THR HA 1 60 VAL QG . . 5.080 4.605 4.307 4.868 . 0 0 "[ . 1 . 2]" 2 2262 1 57 THR HB 1 60 VAL QG . . 4.580 4.023 3.744 4.320 . 0 0 "[ . 1 . 2]" 2 2263 1 57 THR MG 1 60 VAL QG . . 3.400 2.130 1.668 3.163 . 0 0 "[ . 1 . 2]" 2 2264 1 57 THR MG 1 89 PHE QB . . 4.280 3.869 3.578 4.187 . 0 0 "[ . 1 . 2]" 2 2265 1 58 GLU HA 1 61 ARG QB . . 3.950 3.315 2.052 3.969 0.019 18 0 "[ . 1 . 2]" 2 2266 1 58 GLU HA 1 61 ARG QG . . 4.170 2.379 1.888 3.567 . 0 0 "[ . 1 . 2]" 2 2267 1 58 GLU HA 1 61 ARG QD . . 3.690 2.787 1.988 3.575 . 0 0 "[ . 1 . 2]" 2 2268 1 59 SER QB 1 60 VAL QG . . 4.270 3.269 2.908 4.027 . 0 0 "[ . 1 . 2]" 2 2269 1 59 SER QB 1 63 LEU QD . . 4.210 3.939 2.932 4.221 0.011 19 0 "[ . 1 . 2]" 2 2270 1 59 SER QB 1 87 LEU QD . . 4.720 4.373 3.716 4.725 0.005 8 0 "[ . 1 . 2]" 2 2271 1 60 VAL H 1 60 VAL QG . . 3.050 2.434 2.005 2.745 . 0 0 "[ . 1 . 2]" 2 2272 1 60 VAL H 1 87 LEU QD . . 5.440 5.032 4.238 5.451 0.011 3 0 "[ . 1 . 2]" 2 2273 1 60 VAL HA 1 60 VAL QG . . 2.830 2.125 2.012 2.175 . 0 0 "[ . 1 . 2]" 2 2274 1 60 VAL HA 1 63 LEU QB . . 4.660 2.498 1.984 3.498 . 0 0 "[ . 1 . 2]" 2 2275 1 60 VAL HA 1 63 LEU QD . . 4.210 3.254 2.784 3.580 . 0 0 "[ . 1 . 2]" 2 2276 1 60 VAL HA 1 87 LEU QD . . 4.070 3.466 2.755 3.943 . 0 0 "[ . 1 . 2]" 2 2277 1 60 VAL QG 1 61 ARG H . . 3.620 3.152 2.482 3.575 . 0 0 "[ . 1 . 2]" 2 2278 1 60 VAL QG 1 61 ARG HA . . 4.100 3.296 3.044 3.569 . 0 0 "[ . 1 . 2]" 2 2279 1 60 VAL QG 1 64 LEU H . . 4.790 3.757 3.083 4.752 . 0 0 "[ . 1 . 2]" 2 2280 1 60 VAL QG 1 64 LEU QB . . 4.180 2.740 2.163 3.393 . 0 0 "[ . 1 . 2]" 2 2281 1 60 VAL QG 1 64 LEU HG . . 4.050 3.579 3.195 3.819 . 0 0 "[ . 1 . 2]" 2 2282 1 60 VAL QG 1 64 LEU MD1 . . 3.060 1.943 1.726 2.564 . 0 0 "[ . 1 . 2]" 2 2283 1 60 VAL QG 1 64 LEU MD2 . . 4.490 4.040 3.859 4.503 0.013 13 0 "[ . 1 . 2]" 2 2284 1 60 VAL QG 1 87 LEU QB . . 5.280 3.030 2.528 3.530 . 0 0 "[ . 1 . 2]" 2 2285 1 60 VAL QG 1 87 LEU QD . . 3.800 2.454 1.673 3.137 . 0 0 "[ . 1 . 2]" 2 2286 1 60 VAL QG 1 88 ARG H . . 4.030 3.545 3.071 4.033 0.003 20 0 "[ . 1 . 2]" 2 2287 1 60 VAL QG 1 89 PHE H . . 5.440 4.300 4.094 4.700 . 0 0 "[ . 1 . 2]" 2 2288 1 60 VAL QG 1 89 PHE HA . . 4.330 3.876 3.418 4.333 0.003 19 0 "[ . 1 . 2]" 2 2289 1 60 VAL QG 1 89 PHE QB . . 3.250 2.101 1.841 2.548 . 0 0 "[ . 1 . 2]" 2 2290 1 60 VAL QG 1 89 PHE QD . . 3.260 2.253 2.012 2.529 . 0 0 "[ . 1 . 2]" 2 2291 1 60 VAL QG 1 89 PHE QE . . 4.080 3.200 2.830 3.480 . 0 0 "[ . 1 . 2]" 2 2292 1 60 VAL QG 1 90 THR H . . 5.440 4.544 4.005 5.085 . 0 0 "[ . 1 . 2]" 2 2293 1 61 ARG H 1 61 ARG QB . . 3.540 2.407 2.189 2.599 . 0 0 "[ . 1 . 2]" 2 2294 1 61 ARG H 1 61 ARG QG . . 3.430 2.340 1.930 2.846 . 0 0 "[ . 1 . 2]" 2 2295 1 61 ARG H 1 61 ARG QD . . 4.310 3.920 3.503 4.320 0.010 3 0 "[ . 1 . 2]" 2 2296 1 61 ARG HA 1 61 ARG QG . . 3.540 2.995 2.178 3.420 . 0 0 "[ . 1 . 2]" 2 2297 1 61 ARG HA 1 61 ARG QD . . 4.380 4.139 3.701 4.262 . 0 0 "[ . 1 . 2]" 2 2298 1 61 ARG QB 1 61 ARG QD . . 2.950 2.160 2.085 2.325 . 0 0 "[ . 1 . 2]" 2 2299 1 61 ARG QB 1 62 ARG H . . 3.840 3.197 2.462 3.661 . 0 0 "[ . 1 . 2]" 2 2300 1 62 ARG HA 1 62 ARG QG . . 3.400 3.317 3.271 3.344 . 0 0 "[ . 1 . 2]" 2 2301 1 62 ARG QG 1 63 LEU HA . . 4.120 3.223 2.974 3.568 . 0 0 "[ . 1 . 2]" 2 2302 1 63 LEU H 1 63 LEU QB . . 3.350 2.237 2.185 2.688 . 0 0 "[ . 1 . 2]" 2 2303 1 63 LEU HA 1 63 LEU QD . . 2.820 2.175 2.013 2.339 . 0 0 "[ . 1 . 2]" 2 2304 1 63 LEU QB 1 63 LEU QD . . 2.590 1.909 1.861 1.951 . 0 0 "[ . 1 . 2]" 2 2305 1 63 LEU QB 1 64 LEU MD1 . . 4.290 3.489 3.406 3.588 . 0 0 "[ . 1 . 2]" 2 2306 1 63 LEU QB 1 64 LEU MD2 . . 5.340 4.273 2.985 4.627 . 0 0 "[ . 1 . 2]" 2 2307 1 63 LEU QB 1 77 HIS HB3 . . 5.340 4.903 4.717 5.093 . 0 0 "[ . 1 . 2]" 2 2308 1 63 LEU QB 1 79 ILE HG12 . . 5.030 4.446 1.977 5.060 0.030 18 0 "[ . 1 . 2]" 2 2309 1 63 LEU QD 1 64 LEU H . . 4.670 4.024 3.839 4.234 . 0 0 "[ . 1 . 2]" 2 2310 1 63 LEU QD 1 77 HIS H . . 4.050 3.090 2.856 3.762 . 0 0 "[ . 1 . 2]" 2 2311 1 63 LEU QD 1 77 HIS HA . . 4.920 4.377 4.168 4.674 . 0 0 "[ . 1 . 2]" 2 2312 1 63 LEU QD 1 77 HIS HB2 . . 3.590 2.638 2.209 2.933 . 0 0 "[ . 1 . 2]" 2 2313 1 63 LEU QD 1 77 HIS HB3 . . 3.550 3.212 3.003 3.495 . 0 0 "[ . 1 . 2]" 2 2314 1 63 LEU QD 1 77 HIS HD2 . . 5.210 4.588 4.040 4.878 . 0 0 "[ . 1 . 2]" 2 2315 1 63 LEU QD 1 79 ILE HA . . 3.200 2.575 2.173 2.854 . 0 0 "[ . 1 . 2]" 2 2316 1 63 LEU QD 1 79 ILE HB . . 4.300 3.926 3.738 4.300 . 0 0 "[ . 1 . 2]" 2 2317 1 63 LEU QD 1 79 ILE HG12 . . 3.610 1.901 1.751 2.401 . 0 0 "[ . 1 . 2]" 2 2318 1 63 LEU QD 1 79 ILE HG13 . . 3.310 2.220 1.750 3.102 . 0 0 "[ . 1 . 2]" 2 2319 1 63 LEU QD 1 80 ASP H . . 4.540 3.727 3.299 4.039 . 0 0 "[ . 1 . 2]" 2 2320 1 64 LEU H 1 64 LEU QB . . 3.380 2.692 2.567 2.965 . 0 0 "[ . 1 . 2]" 2 2321 1 64 LEU QB 1 64 LEU MD1 . . 2.890 1.996 1.932 2.072 . 0 0 "[ . 1 . 2]" 2 2322 1 64 LEU QB 1 64 LEU MD2 . . 2.910 2.117 2.023 2.182 . 0 0 "[ . 1 . 2]" 2 2323 1 64 LEU QB 1 65 ARG H . . 3.740 2.890 2.669 3.072 . 0 0 "[ . 1 . 2]" 2 2324 1 64 LEU QB 1 73 LEU QD . . 3.890 2.593 2.240 3.279 . 0 0 "[ . 1 . 2]" 2 2325 1 64 LEU QB 1 75 VAL HA . . 5.340 3.574 3.120 4.010 . 0 0 "[ . 1 . 2]" 2 2326 1 64 LEU MD1 1 87 LEU QB . . 4.100 3.199 2.712 3.536 . 0 0 "[ . 1 . 2]" 2 2327 1 64 LEU MD1 1 87 LEU QD . . 2.880 2.232 1.730 2.710 . 0 0 "[ . 1 . 2]" 2 2328 1 65 ARG H 1 65 ARG QG . . 4.450 4.061 3.906 4.147 . 0 0 "[ . 1 . 2]" 2 2329 1 65 ARG H 1 73 LEU QD . . 4.610 3.657 3.328 4.385 . 0 0 "[ . 1 . 2]" 2 2330 1 65 ARG HA 1 65 ARG QD . . 4.950 3.076 1.981 4.126 . 0 0 "[ . 1 . 2]" 2 2331 1 65 ARG HA 1 66 LEU QB . . 4.950 3.992 3.934 4.116 . 0 0 "[ . 1 . 2]" 2 2332 1 65 ARG HB3 1 65 ARG QD . . 3.670 2.968 2.186 3.397 . 0 0 "[ . 1 . 2]" 2 2333 1 65 ARG QG 1 66 LEU H . . 3.790 2.565 2.151 3.174 . 0 0 "[ . 1 . 2]" 2 2334 1 65 ARG QG 1 76 LEU HA . . 5.340 5.143 4.891 5.358 0.018 8 0 "[ . 1 . 2]" 2 2335 1 65 ARG QG 1 76 LEU HB2 . . 4.550 4.112 3.647 4.347 . 0 0 "[ . 1 . 2]" 2 2336 1 65 ARG QG 1 76 LEU MD1 . . 3.600 2.969 2.637 3.601 0.001 7 0 "[ . 1 . 2]" 2 2337 1 65 ARG QD 1 76 LEU HB2 . . 4.390 3.777 3.169 4.163 . 0 0 "[ . 1 . 2]" 2 2338 1 65 ARG QD 1 76 LEU MD1 . . 3.220 2.167 1.898 2.997 . 0 0 "[ . 1 . 2]" 2 2339 1 65 ARG QD 1 76 LEU MD2 . . 3.970 2.828 2.054 3.826 . 0 0 "[ . 1 . 2]" 2 2340 1 66 LEU H 1 66 LEU QB . . 3.460 2.438 2.236 2.595 . 0 0 "[ . 1 . 2]" 2 2341 1 66 LEU H 1 66 LEU QD . . 4.000 3.855 3.426 4.012 0.012 6 0 "[ . 1 . 2]" 2 2342 1 66 LEU HA 1 66 LEU QD . . 3.010 2.291 2.048 2.550 . 0 0 "[ . 1 . 2]" 2 2343 1 66 LEU HA 1 73 LEU QD . . 3.960 3.086 1.983 3.859 . 0 0 "[ . 1 . 2]" 2 2344 1 66 LEU QB 1 73 LEU HA . . 5.340 3.710 3.143 3.991 . 0 0 "[ . 1 . 2]" 2 2345 1 66 LEU QB 1 73 LEU QD . . 3.170 2.495 1.836 3.138 . 0 0 "[ . 1 . 2]" 2 2346 1 66 LEU QB 1 91 VAL MG1 . . 4.390 3.865 3.512 4.254 . 0 0 "[ . 1 . 2]" 2 2347 1 66 LEU QD 1 67 ASP H . . 3.310 2.280 1.871 2.849 . 0 0 "[ . 1 . 2]" 2 2348 1 66 LEU QD 1 67 ASP HA . . 4.390 4.050 3.163 4.400 0.010 13 0 "[ . 1 . 2]" 2 2349 1 66 LEU QD 1 67 ASP QB . . 4.320 3.657 3.194 4.137 . 0 0 "[ . 1 . 2]" 2 2350 1 66 LEU QD 1 68 GLU HA . . 4.240 3.853 2.682 4.180 . 0 0 "[ . 1 . 2]" 2 2351 1 66 LEU QD 1 71 GLY H . . 4.560 4.350 3.521 4.560 0.000 19 0 "[ . 1 . 2]" 2 2352 1 66 LEU QD 1 71 GLY QA . . 3.650 3.052 2.563 3.397 . 0 0 "[ . 1 . 2]" 2 2353 1 66 LEU QD 1 73 LEU H . . 4.820 3.968 3.386 4.420 . 0 0 "[ . 1 . 2]" 2 2354 1 66 LEU QD 1 73 LEU HA . . 3.650 2.780 2.257 3.107 . 0 0 "[ . 1 . 2]" 2 2355 1 66 LEU QD 1 73 LEU HB2 . . 3.770 2.652 2.383 2.943 . 0 0 "[ . 1 . 2]" 2 2356 1 66 LEU QD 1 73 LEU HB3 . . 4.200 3.961 3.701 4.184 . 0 0 "[ . 1 . 2]" 2 2357 1 66 LEU QD 1 73 LEU HG . . 4.160 2.900 2.042 4.191 0.031 13 0 "[ . 1 . 2]" 2 2358 1 66 LEU QD 1 73 LEU QD . . 3.130 2.275 1.746 3.128 . 0 0 "[ . 1 . 2]" 2 2359 1 66 LEU QD 1 74 SER H . . 4.600 4.378 3.951 4.591 . 0 0 "[ . 1 . 2]" 2 2360 1 66 LEU QD 1 91 VAL HB . . 4.020 3.100 2.733 3.907 . 0 0 "[ . 1 . 2]" 2 2361 1 66 LEU QD 1 91 VAL MG1 . . 3.100 2.326 1.935 3.092 . 0 0 "[ . 1 . 2]" 2 2362 1 66 LEU QD 1 91 VAL MG2 . . 4.860 3.806 3.460 4.440 . 0 0 "[ . 1 . 2]" 2 2363 1 66 LEU QD 1 92 MET H . . 4.980 4.164 3.759 4.887 . 0 0 "[ . 1 . 2]" 2 2364 1 67 ASP HA 1 68 GLU QB . . 4.720 4.121 3.970 4.678 . 0 0 "[ . 1 . 2]" 2 2365 1 67 ASP QB 1 68 GLU H . . 4.290 2.888 2.215 3.847 . 0 0 "[ . 1 . 2]" 2 2366 1 67 ASP QB 1 70 SER H . . 4.130 2.625 2.270 3.255 . 0 0 "[ . 1 . 2]" 2 2367 1 67 ASP QB 1 70 SER HG . . 4.130 2.708 1.918 3.387 . 0 0 "[ . 1 . 2]" 2 2368 1 67 ASP QB 1 71 GLY QA . . 4.700 3.570 3.068 4.040 . 0 0 "[ . 1 . 2]" 2 2369 1 67 ASP QB 1 72 TRP H . . 3.560 2.182 1.854 2.781 . 0 0 "[ . 1 . 2]" 2 2370 1 67 ASP QB 1 72 TRP QB . . 4.480 3.002 2.544 3.377 . 0 0 "[ . 1 . 2]" 2 2371 1 68 GLU H 1 68 GLU QB . . 3.300 2.591 2.110 3.147 . 0 0 "[ . 1 . 2]" 2 2372 1 68 GLU QB 1 69 THR H . . 4.000 3.283 2.710 3.620 . 0 0 "[ . 1 . 2]" 2 2373 1 68 GLU QB 1 69 THR HB . . 5.340 5.092 4.126 5.369 0.029 20 0 "[ . 1 . 2]" 2 2374 1 68 GLU QB 1 69 THR MG . . 5.340 4.772 3.684 5.375 0.035 20 0 "[ . 1 . 2]" 2 2375 1 69 THR MG 1 70 SER QB . . 4.330 3.012 2.475 4.072 . 0 0 "[ . 1 . 2]" 2 2376 1 70 SER H 1 71 GLY QA . . 4.640 3.955 3.718 4.366 . 0 0 "[ . 1 . 2]" 2 2377 1 70 SER QB 1 72 TRP H . . 4.400 3.704 3.200 4.250 . 0 0 "[ . 1 . 2]" 2 2378 1 70 SER QB 1 72 TRP HD1 . . 3.340 2.233 2.030 2.466 . 0 0 "[ . 1 . 2]" 2 2379 1 70 SER QB 1 72 TRP HE1 . . 4.340 4.053 3.462 4.332 . 0 0 "[ . 1 . 2]" 2 2380 1 73 LEU H 1 73 LEU QD . . 4.130 3.846 3.733 3.963 . 0 0 "[ . 1 . 2]" 2 2381 1 73 LEU HA 1 73 LEU QD . . 3.180 2.500 1.952 2.806 . 0 0 "[ . 1 . 2]" 2 2382 1 73 LEU HB3 1 73 LEU QD . . 2.900 2.117 2.009 2.279 . 0 0 "[ . 1 . 2]" 2 2383 1 73 LEU QD 1 74 SER H . . 3.900 2.548 2.148 3.149 . 0 0 "[ . 1 . 2]" 2 2384 1 73 LEU QD 1 74 SER HB3 . . 5.440 4.737 4.411 5.298 . 0 0 "[ . 1 . 2]" 2 2385 1 73 LEU QD 1 89 PHE QE . . 3.290 2.413 1.943 2.887 . 0 0 "[ . 1 . 2]" 2 2386 1 73 LEU QD 1 89 PHE HZ . . 3.210 2.257 2.006 2.514 . 0 0 "[ . 1 . 2]" 2 2387 1 73 LEU QD 1 107 VAL HB . . 4.940 4.142 3.519 4.490 . 0 0 "[ . 1 . 2]" 2 2388 1 73 LEU QD 1 107 VAL MG1 . . 3.340 2.783 2.184 3.312 . 0 0 "[ . 1 . 2]" 2 2389 1 73 LEU QD 1 107 VAL MG2 . . 3.700 3.153 2.506 3.406 . 0 0 "[ . 1 . 2]" 2 2390 1 73 LEU QD 1 109 LEU MD2 . . 4.070 3.488 2.673 4.080 0.010 20 0 "[ . 1 . 2]" 2 2391 1 77 HIS HB3 1 78 ARG QG . . 5.340 4.712 4.264 5.366 0.026 4 0 "[ . 1 . 2]" 2 2392 1 78 ARG H 1 78 ARG QG . . 3.630 2.448 1.945 3.640 0.010 16 0 "[ . 1 . 2]" 2 2393 1 78 ARG HA 1 78 ARG QG . . 3.470 2.507 2.169 3.342 . 0 0 "[ . 1 . 2]" 2 2394 1 78 ARG QG 1 79 ILE H . . 4.810 3.896 3.221 4.383 . 0 0 "[ . 1 . 2]" 2 2395 1 79 ILE MG 1 83 GLU QG . . 4.930 3.621 2.990 4.537 . 0 0 "[ . 1 . 2]" 2 2396 1 80 ASP HB2 1 83 GLU QG . . 4.380 3.295 2.833 3.748 . 0 0 "[ . 1 . 2]" 2 2397 1 81 ARG H 1 81 ARG QB . . 3.250 2.228 2.167 2.278 . 0 0 "[ . 1 . 2]" 2 2398 1 81 ARG H 1 81 ARG QG . . 4.100 3.938 3.838 4.015 . 0 0 "[ . 1 . 2]" 2 2399 1 81 ARG HA 1 81 ARG QG . . 3.250 2.361 2.230 2.621 . 0 0 "[ . 1 . 2]" 2 2400 1 81 ARG QB 1 81 ARG QD . . 2.960 2.167 2.022 2.333 . 0 0 "[ . 1 . 2]" 2 2401 1 81 ARG QB 1 82 GLU H . . 4.040 2.701 2.446 2.853 . 0 0 "[ . 1 . 2]" 2 2402 1 81 ARG QB 1 111 ILE MG . . 3.650 2.432 1.983 2.934 . 0 0 "[ . 1 . 2]" 2 2403 1 81 ARG QG 1 82 GLU H . . 4.450 4.264 3.436 4.490 0.040 18 0 "[ . 1 . 2]" 2 2404 1 81 ARG QG 1 85 ASN QB . . 4.960 3.820 3.451 4.377 . 0 0 "[ . 1 . 2]" 2 2405 1 81 ARG QG 1 111 ILE HB . . 4.330 2.966 2.611 3.362 . 0 0 "[ . 1 . 2]" 2 2406 1 81 ARG QG 1 111 ILE MG . . 3.440 1.979 1.781 2.186 . 0 0 "[ . 1 . 2]" 2 2407 1 81 ARG QD 1 82 GLU QB . . 4.820 4.486 3.904 4.840 0.020 8 0 "[ . 1 . 2]" 2 2408 1 82 GLU H 1 82 GLU QB . . 3.230 2.215 2.125 2.418 . 0 0 "[ . 1 . 2]" 2 2409 1 82 GLU H 1 82 GLU QG . . 3.860 3.330 2.239 4.035 0.175 10 0 "[ . 1 . 2]" 2 2410 1 82 GLU HA 1 82 GLU QG . . 3.150 2.404 2.200 3.201 0.051 6 0 "[ . 1 . 2]" 2 2411 1 82 GLU QB 1 83 GLU H . . 3.480 2.298 1.984 2.598 . 0 0 "[ . 1 . 2]" 2 2412 1 82 GLU QB 1 84 VAL H . . 4.550 4.420 4.262 4.559 0.009 13 0 "[ . 1 . 2]" 2 2413 1 82 GLU QG 1 83 GLU H . . 4.710 3.885 2.917 4.276 . 0 0 "[ . 1 . 2]" 2 2414 1 83 GLU H 1 83 GLU QG . . 3.370 2.457 2.275 2.636 . 0 0 "[ . 1 . 2]" 2 2415 1 83 GLU HA 1 83 GLU QG . . 3.440 3.322 3.299 3.332 . 0 0 "[ . 1 . 2]" 2 2416 1 83 GLU HB3 1 83 GLU QG . . 2.580 2.268 2.202 2.371 . 0 0 "[ . 1 . 2]" 2 2417 1 83 GLU QG 1 84 VAL H . . 3.930 2.178 1.945 2.305 . 0 0 "[ . 1 . 2]" 2 2418 1 83 GLU QG 1 84 VAL HA . . 5.340 3.718 3.610 3.837 . 0 0 "[ . 1 . 2]" 2 2419 1 83 GLU QG 1 84 VAL MG2 . . 3.580 2.022 1.890 2.177 . 0 0 "[ . 1 . 2]" 2 2420 1 84 VAL HB 1 87 LEU QD . . 4.060 2.617 2.233 3.009 . 0 0 "[ . 1 . 2]" 2 2421 1 84 VAL MG2 1 85 ASN QB . . 5.340 5.230 5.017 5.342 0.002 1 0 "[ . 1 . 2]" 2 2422 1 85 ASN QB 1 86 GLN QB . . 4.450 3.635 3.280 4.075 . 0 0 "[ . 1 . 2]" 2 2423 1 85 ASN QB 1 111 ILE HB . . 4.700 4.289 3.968 4.522 . 0 0 "[ . 1 . 2]" 2 2424 1 85 ASN QD 1 86 GLN QB . . 5.160 3.712 2.214 4.785 . 0 0 "[ . 1 . 2]" 2 2425 1 86 GLN H 1 86 GLN QB . . 3.350 2.812 2.650 2.910 . 0 0 "[ . 1 . 2]" 2 2426 1 86 GLN H 1 87 LEU QD . . 4.680 4.349 4.069 4.564 . 0 0 "[ . 1 . 2]" 2 2427 1 86 GLN HA 1 87 LEU QD . . 4.990 4.301 3.722 4.589 . 0 0 "[ . 1 . 2]" 2 2428 1 86 GLN QB 1 86 GLN QE . . 4.050 3.171 2.504 3.567 . 0 0 "[ . 1 . 2]" 2 2429 1 86 GLN QB 1 87 LEU QD . . 5.280 5.166 4.933 5.287 0.007 9 0 "[ . 1 . 2]" 2 2430 1 86 GLN QB 1 110 ASN HA . . 5.020 3.774 3.352 4.436 . 0 0 "[ . 1 . 2]" 2 2431 1 86 GLN QE 1 86 GLN HG3 . . 3.250 2.519 2.108 3.090 . 0 0 "[ . 1 . 2]" 2 2432 1 86 GLN QE 1 108 VAL MG1 . . 3.300 2.522 1.906 3.039 . 0 0 "[ . 1 . 2]" 2 2433 1 86 GLN QE 1 108 VAL MG2 . . 4.820 4.080 3.321 4.832 0.012 8 0 "[ . 1 . 2]" 2 2434 1 87 LEU H 1 87 LEU QB . . 3.590 2.430 2.125 2.567 . 0 0 "[ . 1 . 2]" 2 2435 1 87 LEU H 1 87 LEU QD . . 3.850 3.162 2.599 3.665 . 0 0 "[ . 1 . 2]" 2 2436 1 87 LEU HA 1 87 LEU QD . . 4.280 2.340 1.986 2.854 . 0 0 "[ . 1 . 2]" 2 2437 1 87 LEU QB 1 87 LEU QD . . 2.700 1.856 1.772 1.937 . 0 0 "[ . 1 . 2]" 2 2438 1 87 LEU QB 1 88 ARG H . . 3.900 2.787 2.141 3.607 . 0 0 "[ . 1 . 2]" 2 2439 1 87 LEU QB 1 89 PHE QD . . 4.080 2.950 2.562 3.174 . 0 0 "[ . 1 . 2]" 2 2440 1 87 LEU QB 1 109 LEU HB2 . . 4.110 2.369 2.024 2.781 . 0 0 "[ . 1 . 2]" 2 2441 1 87 LEU QB 1 109 LEU HB3 . . 4.880 3.847 3.280 4.363 . 0 0 "[ . 1 . 2]" 2 2442 1 87 LEU QB 1 109 LEU MD1 . . 3.660 2.959 2.521 3.412 . 0 0 "[ . 1 . 2]" 2 2443 1 87 LEU QD 1 88 ARG H . . 3.810 3.441 3.160 3.790 . 0 0 "[ . 1 . 2]" 2 2444 1 87 LEU QD 1 89 PHE QD . . 4.320 3.706 2.666 4.081 . 0 0 "[ . 1 . 2]" 2 2445 1 87 LEU QD 1 89 PHE QE . . 4.180 3.404 2.619 3.845 . 0 0 "[ . 1 . 2]" 2 2446 1 87 LEU QD 1 109 LEU HB2 . . 3.980 3.072 2.807 3.423 . 0 0 "[ . 1 . 2]" 2 2447 1 87 LEU QD 1 109 LEU HB3 . . 5.110 3.730 3.291 4.082 . 0 0 "[ . 1 . 2]" 2 2448 1 87 LEU QD 1 109 LEU MD1 . . 2.900 2.622 2.295 2.830 . 0 0 "[ . 1 . 2]" 2 2449 1 89 PHE QB 1 90 THR H . . 3.480 2.114 1.924 2.947 . 0 0 "[ . 1 . 2]" 2 2450 1 90 THR HB 1 104 LYS QG . . 4.160 3.558 3.318 3.825 . 0 0 "[ . 1 . 2]" 2 2451 1 92 MET H 1 92 MET QB . . 3.400 2.282 2.231 2.455 . 0 0 "[ . 1 . 2]" 2 2452 1 92 MET QB 1 93 ALA H . . 3.790 2.673 2.276 2.996 . 0 0 "[ . 1 . 2]" 2 2453 1 92 MET QB 1 94 ARG H . . 5.340 4.281 3.938 4.662 . 0 0 "[ . 1 . 2]" 2 2454 1 92 MET QB 1 102 THR HB . . 4.190 2.736 2.259 3.300 . 0 0 "[ . 1 . 2]" 2 2455 1 92 MET QB 1 102 THR MG . . 4.120 3.075 2.491 3.425 . 0 0 "[ . 1 . 2]" 2 2456 1 92 MET HG2 1 104 LYS QG . . 3.980 2.160 1.923 2.319 . 0 0 "[ . 1 . 2]" 2 2457 1 93 ALA HA 1 94 ARG QG . . 4.670 3.759 3.476 3.935 . 0 0 "[ . 1 . 2]" 2 2458 1 93 ALA MB 1 103 ASP QB . . 4.100 2.968 2.243 3.955 . 0 0 "[ . 1 . 2]" 2 2459 1 94 ARG H 1 94 ARG QG . . 3.590 2.200 1.886 2.613 . 0 0 "[ . 1 . 2]" 2 2460 1 94 ARG HA 1 94 ARG QG . . 3.720 2.712 2.390 3.324 . 0 0 "[ . 1 . 2]" 2 2461 1 94 ARG QB 1 94 ARG HD2 . . 3.400 2.203 2.121 2.313 . 0 0 "[ . 1 . 2]" 2 2462 1 94 ARG QB 1 94 ARG HE . . 4.520 3.002 2.295 3.856 . 0 0 "[ . 1 . 2]" 2 2463 1 94 ARG QB 1 100 PRO HB3 . . 4.330 3.441 2.987 3.994 . 0 0 "[ . 1 . 2]" 2 2464 1 94 ARG QB 1 102 THR MG . . 3.610 2.927 1.765 3.613 0.003 4 0 "[ . 1 . 2]" 2 2465 1 94 ARG QG 1 102 THR HB . . 4.560 3.991 3.604 4.536 . 0 0 "[ . 1 . 2]" 2 2466 1 94 ARG QG 1 102 THR MG . . 3.110 2.153 1.786 2.945 . 0 0 "[ . 1 . 2]" 2 2467 1 95 ASP QB 1 96 ARG H . . 3.370 2.756 1.986 3.260 . 0 0 "[ . 1 . 2]" 2 2468 1 96 ARG H 1 96 ARG QB . . 3.620 2.647 2.179 3.410 . 0 0 "[ . 1 . 2]" 2 2469 1 96 ARG H 1 96 ARG QG . . 3.610 2.330 1.859 3.226 . 0 0 "[ . 1 . 2]" 2 2470 1 96 ARG HA 1 96 ARG QG . . 3.430 3.004 2.305 3.407 . 0 0 "[ . 1 . 2]" 2 2471 1 96 ARG QB 1 96 ARG QD . . 3.230 2.185 2.031 2.605 . 0 0 "[ . 1 . 2]" 2 2472 1 96 ARG QB 1 97 GLY H . . 4.430 3.732 2.789 4.054 . 0 0 "[ . 1 . 2]" 2 2473 1 97 GLY QA 1 98 GLN H . . 2.760 2.256 2.177 2.283 . 0 0 "[ . 1 . 2]" 2 2474 1 97 GLY QA 1 98 GLN QG . . 4.480 3.594 3.043 4.341 . 0 0 "[ . 1 . 2]" 2 2475 1 97 GLY QA 1 100 PRO HA . . 3.660 3.285 1.985 3.670 0.010 7 0 "[ . 1 . 2]" 2 2476 1 98 GLN H 1 98 GLN QB . . 3.340 3.038 2.540 3.289 . 0 0 "[ . 1 . 2]" 2 2477 1 98 GLN HA 1 99 PRO QB . . 3.870 3.744 3.733 3.759 . 0 0 "[ . 1 . 2]" 2 2478 1 98 GLN QB 1 99 PRO HA . . 3.500 3.139 2.914 3.532 0.032 10 0 "[ . 1 . 2]" 2 2479 1 98 GLN QB 1 100 PRO HD3 . . 4.790 3.377 2.865 3.997 . 0 0 "[ . 1 . 2]" 2 2480 1 99 PRO QB 1 100 PRO HD2 . . 3.140 2.749 2.453 2.879 . 0 0 "[ . 1 . 2]" 2 2481 1 101 LYS H 1 101 LYS QB . . 3.590 2.277 2.170 2.525 . 0 0 "[ . 1 . 2]" 2 2482 1 101 LYS H 1 101 LYS QG . . 4.240 3.257 2.057 4.080 . 0 0 "[ . 1 . 2]" 2 2483 1 101 LYS H 1 101 LYS QD . . 4.960 4.006 2.312 4.583 . 0 0 "[ . 1 . 2]" 2 2484 1 101 LYS HA 1 101 LYS QG . . 3.380 2.626 2.196 2.936 . 0 0 "[ . 1 . 2]" 2 2485 1 101 LYS HA 1 101 LYS QE . . 4.710 3.367 1.950 4.709 . 0 0 "[ . 1 . 2]" 2 2486 1 101 LYS QB 1 102 THR H . . 4.010 3.626 2.975 4.037 0.027 2 0 "[ . 1 . 2]" 2 2487 1 101 LYS QE 1 101 LYS QG . . 2.940 2.165 2.036 2.503 . 0 0 "[ . 1 . 2]" 2 2488 1 101 LYS QG 1 102 THR H . . 4.650 3.829 2.422 4.657 0.007 11 0 "[ . 1 . 2]" 2 2489 1 101 LYS QD 1 102 THR H . . 5.340 3.761 2.958 4.904 . 0 0 "[ . 1 . 2]" 2 2490 1 103 ASP QB 1 104 LYS H . . 4.230 3.532 3.070 4.049 . 0 0 "[ . 1 . 2]" 2 2491 1 104 LYS QE 1 104 LYS QG . . 2.950 2.124 2.051 2.293 . 0 0 "[ . 1 . 2]" 2 2492 1 104 LYS QG 1 105 ALA H . . 4.230 3.618 3.326 3.877 . 0 0 "[ . 1 . 2]" 2 2493 1 110 ASN HB3 1 112 LYS QG . . 4.890 3.642 3.012 4.245 . 0 0 "[ . 1 . 2]" 2 2494 1 110 ASN HB3 1 112 LYS QD . . 4.260 3.620 3.090 4.219 . 0 0 "[ . 1 . 2]" 2 2495 1 112 LYS H 1 112 LYS QD . . 4.690 3.930 3.471 4.221 . 0 0 "[ . 1 . 2]" 2 2496 1 112 LYS HA 1 112 LYS QG . . 3.530 2.773 2.654 2.924 . 0 0 "[ . 1 . 2]" 2 2497 1 112 LYS HA 1 112 LYS QD . . 3.380 2.235 1.988 2.769 . 0 0 "[ . 1 . 2]" 2 2498 1 112 LYS HA 1 112 LYS QE . . 4.270 3.566 1.946 4.284 0.014 1 0 "[ . 1 . 2]" 2 2499 1 112 LYS HB2 1 112 LYS QE . . 4.070 3.523 3.208 4.106 0.036 1 0 "[ . 1 . 2]" 2 2500 1 112 LYS HB3 1 113 ASP QB . . 4.990 4.699 4.337 4.979 . 0 0 "[ . 1 . 2]" 2 2501 1 112 LYS QE 1 112 LYS QG . . 3.210 2.192 2.040 2.533 . 0 0 "[ . 1 . 2]" 2 2502 1 112 LYS QG 1 113 ASP H . . 4.320 4.200 4.044 4.321 0.001 8 0 "[ . 1 . 2]" 2 2503 1 112 LYS QD 1 113 ASP H . . 4.590 3.378 3.110 3.716 . 0 0 "[ . 1 . 2]" 2 2504 1 113 ASP H 1 113 ASP QB . . 3.210 2.662 2.313 3.076 . 0 0 "[ . 1 . 2]" 2 2505 1 113 ASP QB 1 114 GLU H . . 3.750 3.623 3.239 3.826 0.076 11 0 "[ . 1 . 2]" 2 2506 1 113 ASP QB 1 114 GLU HA . . 5.030 4.654 4.256 4.953 . 0 0 "[ . 1 . 2]" 2 2507 1 114 GLU H 1 114 GLU QB . . 3.100 2.374 2.243 2.626 . 0 0 "[ . 1 . 2]" 2 2508 1 114 GLU QB 1 115 ASN QB . . 4.640 3.997 3.681 4.522 . 0 0 "[ . 1 . 2]" 2 2509 1 115 ASN H 1 115 ASN QB . . 2.940 2.259 2.153 2.694 . 0 0 "[ . 1 . 2]" 2 2510 1 115 ASN H 1 115 ASN QD . . 4.420 4.043 2.006 4.409 . 0 0 "[ . 1 . 2]" 2 2511 1 115 ASN H 1 116 ASP QB . . 4.790 4.558 4.191 4.780 . 0 0 "[ . 1 . 2]" 2 2512 1 115 ASN QB 1 115 ASN QD . . 3.050 2.205 2.066 2.494 . 0 0 "[ . 1 . 2]" 2 2513 1 115 ASN QB 1 116 ASP H . . 3.550 2.396 1.995 3.041 . 0 0 "[ . 1 . 2]" 2 2514 1 116 ASP H 1 116 ASP QB . . 3.080 2.267 2.127 2.828 . 0 0 "[ . 1 . 2]" 2 2515 1 117 ASN HA 1 117 ASN QD . . 3.530 2.947 2.067 3.636 0.106 19 0 "[ . 1 . 2]" 2 2516 1 118 VAL H 1 118 VAL QG . . 3.880 2.182 1.865 3.116 . 0 0 "[ . 1 . 2]" 2 2517 1 118 VAL QG 1 119 PRO QD . . 4.090 2.387 1.795 2.962 . 0 0 "[ . 1 . 2]" 2 stop_ save_
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