NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
409601 | 1zit | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1zit 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 1144 _Distance_constraint_stats_list.Viol_count 2550 _Distance_constraint_stats_list.Viol_total 3472.749 _Distance_constraint_stats_list.Viol_max 0.367 _Distance_constraint_stats_list.Viol_rms 0.0136 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0021 _Distance_constraint_stats_list.Viol_average_violations_only 0.0358 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 2 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]" 1 3 ARG 1.151 0.157 14 0 "[ . 1 . 2 . 3 . ]" 1 4 VAL 0.457 0.045 14 0 "[ . 1 . 2 . 3 . ]" 1 5 LEU 3.723 0.133 26 0 "[ . 1 . 2 . 3 . ]" 1 6 VAL 7.209 0.200 28 0 "[ . 1 . 2 . 3 . ]" 1 7 VAL 0.905 0.052 28 0 "[ . 1 . 2 . 3 . ]" 1 8 ASP 1.188 0.073 34 0 "[ . 1 . 2 . 3 . ]" 1 9 ASP 2.779 0.070 20 0 "[ . 1 . 2 . 3 . ]" 1 10 GLU 0.585 0.070 20 0 "[ . 1 . 2 . 3 . ]" 1 12 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]" 1 13 ILE 6.752 0.257 28 0 "[ . 1 . 2 . 3 . ]" 1 14 THR 4.247 0.159 20 0 "[ . 1 . 2 . 3 . ]" 1 15 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]" 1 16 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]" 1 17 LEU 11.301 0.215 2 0 "[ . 1 . 2 . 3 . ]" 1 18 SER 1.739 0.146 30 0 "[ . 1 . 2 . 3 . ]" 1 19 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]" 1 20 ILE 2.831 0.071 8 0 "[ . 1 . 2 . 3 . ]" 1 21 LEU 4.578 0.156 21 0 "[ . 1 . 2 . 3 . ]" 1 22 GLU 0.259 0.070 26 0 "[ . 1 . 2 . 3 . ]" 1 23 GLU 2.701 0.071 8 0 "[ . 1 . 2 . 3 . ]" 1 24 GLU 0.980 0.052 33 0 "[ . 1 . 2 . 3 . ]" 1 25 GLY 0.768 0.040 26 0 "[ . 1 . 2 . 3 . ]" 1 26 TYR 1.002 0.092 24 0 "[ . 1 . 2 . 3 . ]" 1 27 HIS 2.906 0.157 14 0 "[ . 1 . 2 . 3 . ]" 1 28 PRO 1.226 0.103 14 0 "[ . 1 . 2 . 3 . ]" 1 29 ASP 10.759 0.367 32 0 "[ . 1 . 2 . 3 . ]" 1 30 THR 8.016 0.367 32 0 "[ . 1 . 2 . 3 . ]" 1 31 ALA 0.510 0.052 27 0 "[ . 1 . 2 . 3 . ]" 1 32 LYS 3.051 0.082 35 0 "[ . 1 . 2 . 3 . ]" 1 33 THR 0.372 0.066 27 0 "[ . 1 . 2 . 3 . ]" 1 34 LEU 1.603 0.111 31 0 "[ . 1 . 2 . 3 . ]" 1 35 ARG 0.959 0.063 22 0 "[ . 1 . 2 . 3 . ]" 1 36 GLU 0.282 0.023 6 0 "[ . 1 . 2 . 3 . ]" 1 37 ALA 2.807 0.068 21 0 "[ . 1 . 2 . 3 . ]" 1 38 GLU 1.934 0.078 22 0 "[ . 1 . 2 . 3 . ]" 1 39 LYS 1.150 0.063 22 0 "[ . 1 . 2 . 3 . ]" 1 40 LYS 1.541 0.068 21 0 "[ . 1 . 2 . 3 . ]" 1 41 ILE 2.477 0.129 23 0 "[ . 1 . 2 . 3 . ]" 1 42 LYS 0.065 0.017 27 0 "[ . 1 . 2 . 3 . ]" 1 43 GLU 1.791 0.056 23 0 "[ . 1 . 2 . 3 . ]" 1 44 LEU 0.111 0.111 23 0 "[ . 1 . 2 . 3 . ]" 1 45 PHE 0.365 0.111 23 0 "[ . 1 . 2 . 3 . ]" 1 46 PHE 3.488 0.153 15 0 "[ . 1 . 2 . 3 . ]" 1 47 PRO 0.683 0.078 2 0 "[ . 1 . 2 . 3 . ]" 1 48 VAL 1.076 0.117 20 0 "[ . 1 . 2 . 3 . ]" 1 49 ILE 7.456 0.153 15 0 "[ . 1 . 2 . 3 . ]" 1 50 VAL 0.508 0.038 17 0 "[ . 1 . 2 . 3 . ]" 1 51 LEU 1.368 0.119 32 0 "[ . 1 . 2 . 3 . ]" 1 52 ASP 1.274 0.080 30 0 "[ . 1 . 2 . 3 . ]" 1 53 VAL 0.155 0.042 18 0 "[ . 1 . 2 . 3 . ]" 1 54 TRP 1.217 0.059 19 0 "[ . 1 . 2 . 3 . ]" 1 55 MET 0.480 0.044 38 0 "[ . 1 . 2 . 3 . ]" 1 56 PRO 0.595 0.041 7 0 "[ . 1 . 2 . 3 . ]" 1 57 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]" 1 58 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]" 1 59 ASP 0.161 0.071 10 0 "[ . 1 . 2 . 3 . ]" 1 60 GLY 0.161 0.071 10 0 "[ . 1 . 2 . 3 . ]" 1 61 VAL 0.027 0.014 34 0 "[ . 1 . 2 . 3 . ]" 1 62 ASN 2.236 0.200 23 0 "[ . 1 . 2 . 3 . ]" 1 63 PHE 0.332 0.030 6 0 "[ . 1 . 2 . 3 . ]" 1 64 ILE 0.379 0.035 10 0 "[ . 1 . 2 . 3 . ]" 1 65 ASP 1.292 0.057 29 0 "[ . 1 . 2 . 3 . ]" 1 66 PHE 0.860 0.043 16 0 "[ . 1 . 2 . 3 . ]" 1 67 ILE 1.027 0.035 10 0 "[ . 1 . 2 . 3 . ]" 1 68 LYS 1.391 0.057 29 0 "[ . 1 . 2 . 3 . ]" 1 69 GLU 1.510 0.052 35 0 "[ . 1 . 2 . 3 . ]" 1 70 ASN 1.060 0.052 35 0 "[ . 1 . 2 . 3 . ]" 1 71 SER 0.480 0.025 2 0 "[ . 1 . 2 . 3 . ]" 1 72 PRO 4.361 0.123 24 0 "[ . 1 . 2 . 3 . ]" 1 73 ASP 4.367 0.123 24 0 "[ . 1 . 2 . 3 . ]" 1 74 SER 0.437 0.064 31 0 "[ . 1 . 2 . 3 . ]" 1 75 VAL 4.344 0.133 9 0 "[ . 1 . 2 . 3 . ]" 1 76 VAL 0.152 0.034 20 0 "[ . 1 . 2 . 3 . ]" 1 77 ILE 0.455 0.037 15 0 "[ . 1 . 2 . 3 . ]" 1 78 VAL 2.179 0.119 32 0 "[ . 1 . 2 . 3 . ]" 1 79 ILE 1.300 0.132 10 0 "[ . 1 . 2 . 3 . ]" 1 80 THR 0.801 0.132 10 0 "[ . 1 . 2 . 3 . ]" 1 85 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]" 1 86 ASP 0.596 0.053 32 0 "[ . 1 . 2 . 3 . ]" 1 87 THR 1.283 0.053 2 0 "[ . 1 . 2 . 3 . ]" 1 88 ALA 0.281 0.046 33 0 "[ . 1 . 2 . 3 . ]" 1 89 VAL 0.690 0.071 16 0 "[ . 1 . 2 . 3 . ]" 1 90 LYS 1.483 0.053 2 0 "[ . 1 . 2 . 3 . ]" 1 91 ALA 0.022 0.022 10 0 "[ . 1 . 2 . 3 . ]" 1 92 ILE 0.838 0.071 16 0 "[ . 1 . 2 . 3 . ]" 1 93 LYS 0.237 0.056 5 0 "[ . 1 . 2 . 3 . ]" 1 94 LYS 0.187 0.056 5 0 "[ . 1 . 2 . 3 . ]" 1 95 GLY 0.094 0.019 4 0 "[ . 1 . 2 . 3 . ]" 1 96 ALA 0.398 0.065 15 0 "[ . 1 . 2 . 3 . ]" 1 97 TYR 1.621 0.111 25 0 "[ . 1 . 2 . 3 . ]" 1 98 GLU 1.219 0.111 25 0 "[ . 1 . 2 . 3 . ]" 1 99 PHE 0.281 0.046 33 0 "[ . 1 . 2 . 3 . ]" 1 100 LEU 0.418 0.081 15 0 "[ . 1 . 2 . 3 . ]" 1 101 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]" 1 102 LYS 0.169 0.019 10 0 "[ . 1 . 2 . 3 . ]" 1 103 PRO 0.789 0.099 35 0 "[ . 1 . 2 . 3 . ]" 1 104 PHE 0.619 0.099 35 0 "[ . 1 . 2 . 3 . ]" 1 105 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]" 1 106 VAL 1.953 0.128 10 0 "[ . 1 . 2 . 3 . ]" 1 107 GLU 0.052 0.016 8 0 "[ . 1 . 2 . 3 . ]" 1 108 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]" 1 109 PHE 0.884 0.158 7 0 "[ . 1 . 2 . 3 . ]" 1 110 LEU 1.475 0.068 25 0 "[ . 1 . 2 . 3 . ]" 1 111 LEU 1.052 0.036 11 0 "[ . 1 . 2 . 3 . ]" 1 112 THR 0.460 0.034 11 0 "[ . 1 . 2 . 3 . ]" 1 113 ILE 1.852 0.091 18 0 "[ . 1 . 2 . 3 . ]" 1 114 LYS 2.236 0.119 21 0 "[ . 1 . 2 . 3 . ]" 1 115 HIS 2.093 0.119 21 0 "[ . 1 . 2 . 3 . ]" 1 116 ALA 1.476 0.091 18 0 "[ . 1 . 2 . 3 . ]" 1 117 PHE 0.479 0.186 6 0 "[ . 1 . 2 . 3 . ]" 1 118 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]" 1 119 GLU 0.636 0.102 4 0 "[ . 1 . 2 . 3 . ]" 1 120 TYR 0.803 0.102 4 0 "[ . 1 . 2 . 3 . ]" 1 121 SER 0.082 0.018 18 0 "[ . 1 . 2 . 3 . ]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 2 LYS HA 1 2 LYS QB 2.600 . 2.600 2.387 2.282 2.525 . 0 0 "[ . 1 . 2 . 3 . ]" 1 2 1 2 LYS HA 1 2 LYS QD 3.400 . 3.400 2.519 1.965 3.131 . 0 0 "[ . 1 . 2 . 3 . ]" 1 3 1 2 LYS HA 1 2 LYS QG 3.400 . 3.400 2.645 2.044 3.082 . 0 0 "[ . 1 . 2 . 3 . ]" 1 4 1 2 LYS HA 1 3 ARG H 2.900 . 2.900 2.230 2.136 2.708 . 0 0 "[ . 1 . 2 . 3 . ]" 1 5 1 2 LYS QB 1 2 LYS QD 3.300 . 3.300 2.164 1.919 2.410 . 0 0 "[ . 1 . 2 . 3 . ]" 1 6 1 2 LYS QB 1 26 TYR HA 4.100 . 4.100 2.665 2.111 3.578 . 0 0 "[ . 1 . 2 . 3 . ]" 1 7 1 2 LYS HB2 1 2 LYS HD2 4.200 . 4.200 3.425 2.640 4.068 . 0 0 "[ . 1 . 2 . 3 . ]" 1 8 1 2 LYS HB2 1 2 LYS HD3 4.200 . 4.200 3.367 1.998 4.189 . 0 0 "[ . 1 . 2 . 3 . ]" 1 9 1 2 LYS HB2 1 26 TYR HA 5.000 . 5.000 3.120 2.161 4.547 . 0 0 "[ . 1 . 2 . 3 . ]" 1 10 1 2 LYS HB3 1 2 LYS HD2 4.200 . 4.200 2.846 1.956 4.107 . 0 0 "[ . 1 . 2 . 3 . ]" 1 11 1 2 LYS HB3 1 2 LYS HD3 4.200 . 4.200 3.193 2.297 3.973 . 0 0 "[ . 1 . 2 . 3 . ]" 1 12 1 2 LYS HB3 1 26 TYR HA 5.000 . 5.000 3.278 2.181 4.510 . 0 0 "[ . 1 . 2 . 3 . ]" 1 13 1 2 LYS QD 1 117 PHE QD 5.000 . 5.000 3.166 2.220 4.278 . 0 0 "[ . 1 . 2 . 3 . ]" 1 14 1 2 LYS HD2 1 117 PHE HB2 6.800 . 6.800 4.463 2.838 6.330 . 0 0 "[ . 1 . 2 . 3 . ]" 1 15 1 2 LYS HD2 1 117 PHE HB3 6.800 . 6.800 3.957 2.633 6.286 . 0 0 "[ . 1 . 2 . 3 . ]" 1 16 1 2 LYS HD3 1 117 PHE HB2 6.800 . 6.800 4.885 3.248 6.302 . 0 0 "[ . 1 . 2 . 3 . ]" 1 17 1 2 LYS HD3 1 117 PHE HB3 6.800 . 6.800 4.107 2.186 5.686 . 0 0 "[ . 1 . 2 . 3 . ]" 1 18 1 2 LYS QE 1 117 PHE QB 5.000 . 5.000 3.103 1.991 4.055 . 0 0 "[ . 1 . 2 . 3 . ]" 1 19 1 3 ARG H 1 3 ARG QB 3.700 . 3.700 2.991 2.568 3.429 . 0 0 "[ . 1 . 2 . 3 . ]" 1 20 1 3 ARG H 1 3 ARG QD 5.900 . 5.900 2.470 1.922 3.191 . 0 0 "[ . 1 . 2 . 3 . ]" 1 21 1 3 ARG H 1 3 ARG QG 4.200 . 4.200 3.157 2.299 3.663 . 0 0 "[ . 1 . 2 . 3 . ]" 1 22 1 3 ARG H 1 47 PRO HG2 5.000 . 5.000 3.117 2.040 5.022 0.022 2 0 "[ . 1 . 2 . 3 . ]" 1 23 1 3 ARG H 1 47 PRO QG 5.900 . 5.900 2.768 2.011 4.499 . 0 0 "[ . 1 . 2 . 3 . ]" 1 24 1 3 ARG H 1 47 PRO HG3 5.000 . 5.000 3.293 2.315 5.078 0.078 2 0 "[ . 1 . 2 . 3 . ]" 1 25 1 3 ARG H 1 117 PHE QE 5.000 . 5.000 2.308 1.934 4.004 . 0 0 "[ . 1 . 2 . 3 . ]" 1 26 1 3 ARG HA 1 3 ARG QD 4.200 . 4.200 3.580 2.354 3.796 . 0 0 "[ . 1 . 2 . 3 . ]" 1 27 1 3 ARG HA 1 3 ARG QG 3.700 . 3.700 2.746 2.299 3.406 . 0 0 "[ . 1 . 2 . 3 . ]" 1 28 1 3 ARG HA 1 4 VAL H 2.900 . 2.900 2.186 2.134 2.311 . 0 0 "[ . 1 . 2 . 3 . ]" 1 29 1 3 ARG HA 1 27 HIS H 5.000 . 5.000 2.030 1.785 2.465 0.015 21 0 "[ . 1 . 2 . 3 . ]" 1 30 1 3 ARG HA 1 27 HIS HB2 3.300 . 3.300 3.038 2.304 3.290 . 0 0 "[ . 1 . 2 . 3 . ]" 1 31 1 3 ARG HA 1 27 HIS QB 2.800 . 2.800 2.553 2.217 2.628 . 0 0 "[ . 1 . 2 . 3 . ]" 1 32 1 3 ARG HA 1 27 HIS HB3 3.300 . 3.300 2.797 2.507 3.164 . 0 0 "[ . 1 . 2 . 3 . ]" 1 33 1 3 ARG QB 1 27 HIS QB 5.800 . 5.800 2.137 1.643 2.981 0.157 14 0 "[ . 1 . 2 . 3 . ]" 1 34 1 3 ARG QB 1 47 PRO QD 6.800 . 6.800 2.943 2.090 3.972 . 0 0 "[ . 1 . 2 . 3 . ]" 1 35 1 3 ARG HB2 1 27 HIS HB2 6.800 . 6.800 4.389 2.759 5.045 . 0 0 "[ . 1 . 2 . 3 . ]" 1 36 1 3 ARG HB2 1 27 HIS HB3 6.800 . 6.800 3.485 1.899 4.267 . 0 0 "[ . 1 . 2 . 3 . ]" 1 37 1 3 ARG HB3 1 27 HIS HB2 6.800 . 6.800 3.302 1.892 4.420 . 0 0 "[ . 1 . 2 . 3 . ]" 1 38 1 3 ARG HB3 1 27 HIS HB3 6.800 . 6.800 2.255 1.874 3.130 . 0 0 "[ . 1 . 2 . 3 . ]" 1 39 1 3 ARG QD 1 4 VAL H 5.900 . 5.900 5.089 4.350 5.333 . 0 0 "[ . 1 . 2 . 3 . ]" 1 40 1 3 ARG QD 1 117 PHE QE 5.900 . 5.900 3.728 2.858 4.655 . 0 0 "[ . 1 . 2 . 3 . ]" 1 41 1 3 ARG QG 1 27 HIS QB 4.100 . 4.100 2.216 1.771 3.373 0.029 19 0 "[ . 1 . 2 . 3 . ]" 1 42 1 3 ARG HG2 1 27 HIS HB2 5.000 . 5.000 3.561 2.777 4.866 . 0 0 "[ . 1 . 2 . 3 . ]" 1 43 1 3 ARG HG2 1 27 HIS HB3 5.000 . 5.000 3.007 2.255 4.497 . 0 0 "[ . 1 . 2 . 3 . ]" 1 44 1 3 ARG HG3 1 27 HIS HB2 5.000 . 5.000 2.656 1.972 4.455 . 0 0 "[ . 1 . 2 . 3 . ]" 1 45 1 3 ARG HG3 1 27 HIS HB3 5.000 . 5.000 2.683 1.978 4.269 . 0 0 "[ . 1 . 2 . 3 . ]" 1 46 1 4 VAL H 1 4 VAL HB 3.300 . 3.300 2.729 2.574 2.834 . 0 0 "[ . 1 . 2 . 3 . ]" 1 47 1 4 VAL H 1 5 LEU H 5.000 . 5.000 4.492 4.393 4.639 . 0 0 "[ . 1 . 2 . 3 . ]" 1 48 1 4 VAL H 1 28 PRO HA 3.300 . 3.300 2.954 2.368 3.345 0.045 14 0 "[ . 1 . 2 . 3 . ]" 1 49 1 4 VAL H 1 28 PRO QB 5.000 . 5.000 4.262 3.516 4.463 . 0 0 "[ . 1 . 2 . 3 . ]" 1 50 1 4 VAL H 1 29 ASP H 5.000 . 5.000 4.370 3.874 5.004 0.004 14 0 "[ . 1 . 2 . 3 . ]" 1 51 1 4 VAL H 1 117 PHE QE 5.000 . 5.000 4.683 3.861 4.859 . 0 0 "[ . 1 . 2 . 3 . ]" 1 52 1 4 VAL HA 1 5 LEU H 2.500 . 2.500 2.328 2.227 2.444 . 0 0 "[ . 1 . 2 . 3 . ]" 1 53 1 4 VAL HA 1 48 VAL H 3.300 . 3.300 3.047 2.723 3.263 . 0 0 "[ . 1 . 2 . 3 . ]" 1 54 1 4 VAL HA 1 48 VAL HB 5.000 . 5.000 2.520 2.066 2.756 . 0 0 "[ . 1 . 2 . 3 . ]" 1 55 1 4 VAL HA 1 48 VAL MG1 5.000 . 5.000 3.992 3.613 4.175 . 0 0 "[ . 1 . 2 . 3 . ]" 1 56 1 4 VAL HB 1 28 PRO HA 5.000 . 5.000 3.557 3.051 3.827 . 0 0 "[ . 1 . 2 . 3 . ]" 1 57 1 4 VAL HB 1 29 ASP H 5.000 . 5.000 4.856 4.439 5.037 0.037 17 0 "[ . 1 . 2 . 3 . ]" 1 58 1 4 VAL MG1 1 5 LEU H 2.900 . 2.900 1.948 1.840 2.233 . 0 0 "[ . 1 . 2 . 3 . ]" 1 59 1 4 VAL MG1 1 48 VAL MG2 5.000 . 5.000 3.333 3.205 3.370 . 0 0 "[ . 1 . 2 . 3 . ]" 1 60 1 4 VAL MG2 1 5 LEU H 5.000 . 5.000 3.921 3.797 4.084 . 0 0 "[ . 1 . 2 . 3 . ]" 1 61 1 4 VAL MG2 1 26 TYR QE 5.000 . 5.000 3.416 2.658 4.034 . 0 0 "[ . 1 . 2 . 3 . ]" 1 62 1 4 VAL MG2 1 48 VAL HB 4.300 . 4.300 2.055 1.909 2.244 . 0 0 "[ . 1 . 2 . 3 . ]" 1 63 1 4 VAL MG2 1 48 VAL MG1 4.600 . 4.600 2.903 2.799 2.998 . 0 0 "[ . 1 . 2 . 3 . ]" 1 64 1 4 VAL MG2 1 48 VAL MG2 4.600 . 4.600 2.503 2.214 2.721 . 0 0 "[ . 1 . 2 . 3 . ]" 1 65 1 4 VAL MG2 1 113 ILE MD 5.400 . 5.400 2.212 1.830 3.557 . 0 0 "[ . 1 . 2 . 3 . ]" 1 66 1 4 VAL MG2 1 113 ILE MG 4.600 . 4.600 2.455 1.899 2.909 . 0 0 "[ . 1 . 2 . 3 . ]" 1 67 1 4 VAL MG2 1 117 PHE QD 5.000 . 5.000 3.736 3.671 4.003 . 0 0 "[ . 1 . 2 . 3 . ]" 1 68 1 4 VAL O 1 29 ASP H 2.300 . 2.300 2.204 1.898 2.323 0.023 11 0 "[ . 1 . 2 . 3 . ]" 1 69 1 4 VAL O 1 29 ASP N 3.300 . 3.300 3.069 2.810 3.183 . 0 0 "[ . 1 . 2 . 3 . ]" 1 70 1 5 LEU H 1 5 LEU HB2 3.300 . 3.300 2.897 2.580 3.094 . 0 0 "[ . 1 . 2 . 3 . ]" 1 71 1 5 LEU H 1 5 LEU HB3 3.300 . 3.300 2.590 2.466 2.742 . 0 0 "[ . 1 . 2 . 3 . ]" 1 72 1 5 LEU H 1 6 VAL H 5.000 . 5.000 4.443 4.286 4.519 . 0 0 "[ . 1 . 2 . 3 . ]" 1 73 1 5 LEU H 1 46 PHE QD 5.000 . 5.000 4.086 3.332 4.849 . 0 0 "[ . 1 . 2 . 3 . ]" 1 74 1 5 LEU H 1 48 VAL O 2.300 . 2.300 1.779 1.733 1.866 0.067 12 0 "[ . 1 . 2 . 3 . ]" 1 75 1 5 LEU H 1 49 ILE HA 2.900 . 2.900 2.674 2.293 2.934 0.034 20 0 "[ . 1 . 2 . 3 . ]" 1 76 1 5 LEU H 1 50 VAL H 5.000 . 5.000 3.906 3.487 4.211 . 0 0 "[ . 1 . 2 . 3 . ]" 1 77 1 5 LEU HA 1 5 LEU MD1 3.500 . 3.500 2.036 1.854 2.403 . 0 0 "[ . 1 . 2 . 3 . ]" 1 78 1 5 LEU HA 1 6 VAL H 2.900 . 2.900 2.172 2.135 2.239 . 0 0 "[ . 1 . 2 . 3 . ]" 1 79 1 5 LEU HA 1 29 ASP H 3.300 . 3.300 2.507 2.348 2.715 . 0 0 "[ . 1 . 2 . 3 . ]" 1 80 1 5 LEU HA 1 30 THR HA 5.000 . 5.000 4.192 3.800 4.885 . 0 0 "[ . 1 . 2 . 3 . ]" 1 81 1 5 LEU HA 1 50 VAL H 5.000 . 5.000 4.904 4.638 5.020 0.020 38 0 "[ . 1 . 2 . 3 . ]" 1 82 1 5 LEU QB 1 46 PHE QD 5.900 . 5.900 2.803 2.612 3.079 . 0 0 "[ . 1 . 2 . 3 . ]" 1 83 1 5 LEU QB 1 49 ILE MD 5.200 . 5.200 1.959 1.808 2.351 . 0 0 "[ . 1 . 2 . 3 . ]" 1 84 1 5 LEU QB 1 49 ILE MG 5.200 . 5.200 2.273 1.949 2.909 . 0 0 "[ . 1 . 2 . 3 . ]" 1 85 1 5 LEU MD1 1 6 VAL H 3.300 . 3.300 2.437 2.141 2.620 . 0 0 "[ . 1 . 2 . 3 . ]" 1 86 1 5 LEU MD1 1 7 VAL MG2 7.100 . 7.100 3.344 3.003 3.926 . 0 0 "[ . 1 . 2 . 3 . ]" 1 87 1 5 LEU MD1 1 29 ASP H 5.000 . 5.000 3.106 2.794 3.421 . 0 0 "[ . 1 . 2 . 3 . ]" 1 88 1 5 LEU MD1 1 29 ASP HA 5.000 . 5.000 3.962 3.692 4.176 . 0 0 "[ . 1 . 2 . 3 . ]" 1 89 1 5 LEU MD1 1 29 ASP HB2 4.300 . 4.300 3.030 2.070 3.524 . 0 0 "[ . 1 . 2 . 3 . ]" 1 90 1 5 LEU MD1 1 29 ASP QB 3.900 . 3.900 1.862 1.767 2.104 0.133 26 0 "[ . 1 . 2 . 3 . ]" 1 91 1 5 LEU MD1 1 29 ASP HB3 4.300 . 4.300 1.891 1.791 2.121 0.009 4 0 "[ . 1 . 2 . 3 . ]" 1 92 1 5 LEU MD1 1 30 THR H 6.000 . 6.000 3.415 2.710 4.301 . 0 0 "[ . 1 . 2 . 3 . ]" 1 93 1 5 LEU MD1 1 30 THR HA 4.300 . 4.300 3.182 2.630 3.446 . 0 0 "[ . 1 . 2 . 3 . ]" 1 94 1 5 LEU MD1 1 31 ALA H 5.000 . 5.000 3.473 2.901 4.006 . 0 0 "[ . 1 . 2 . 3 . ]" 1 95 1 5 LEU MD1 1 31 ALA MB 5.400 . 5.400 2.663 1.954 3.386 . 0 0 "[ . 1 . 2 . 3 . ]" 1 96 1 5 LEU MD1 1 40 LYS QB 5.200 . 5.200 2.994 2.614 3.787 . 0 0 "[ . 1 . 2 . 3 . ]" 1 97 1 5 LEU MD1 1 41 ILE QG 5.200 . 5.200 3.643 3.309 3.817 . 0 0 "[ . 1 . 2 . 3 . ]" 1 98 1 5 LEU MD1 1 46 PHE QE 3.300 . 3.300 2.537 2.043 2.720 . 0 0 "[ . 1 . 2 . 3 . ]" 1 99 1 5 LEU MD1 1 46 PHE HZ 5.000 . 5.000 2.627 2.350 2.852 . 0 0 "[ . 1 . 2 . 3 . ]" 1 100 1 5 LEU MD1 1 49 ILE MD 7.100 . 7.100 3.843 3.539 4.427 . 0 0 "[ . 1 . 2 . 3 . ]" 1 101 1 5 LEU MD2 1 6 VAL H 6.000 . 6.000 4.354 4.029 4.630 . 0 0 "[ . 1 . 2 . 3 . ]" 1 102 1 5 LEU MD2 1 7 VAL MG1 7.100 . 7.100 4.349 3.938 4.744 . 0 0 "[ . 1 . 2 . 3 . ]" 1 103 1 5 LEU MD2 1 7 VAL MG2 4.600 . 4.600 2.476 2.114 2.970 . 0 0 "[ . 1 . 2 . 3 . ]" 1 104 1 5 LEU MD2 1 31 ALA MB 7.100 . 7.100 3.223 2.615 3.931 . 0 0 "[ . 1 . 2 . 3 . ]" 1 105 1 5 LEU MD2 1 37 ALA HA 4.300 . 4.300 3.205 2.802 3.455 . 0 0 "[ . 1 . 2 . 3 . ]" 1 106 1 5 LEU MD2 1 37 ALA MB 5.400 . 5.400 2.568 2.111 2.995 . 0 0 "[ . 1 . 2 . 3 . ]" 1 107 1 5 LEU MD2 1 41 ILE H 5.000 . 5.000 3.998 3.499 4.166 . 0 0 "[ . 1 . 2 . 3 . ]" 1 108 1 5 LEU MD2 1 41 ILE MD 4.600 . 4.600 2.145 1.803 2.376 . 0 0 "[ . 1 . 2 . 3 . ]" 1 109 1 5 LEU MD2 1 41 ILE HG12 4.300 . 4.300 2.264 1.909 2.732 . 0 0 "[ . 1 . 2 . 3 . ]" 1 110 1 5 LEU MD2 1 41 ILE QG 3.900 . 3.900 2.044 1.771 2.361 0.129 23 0 "[ . 1 . 2 . 3 . ]" 1 111 1 5 LEU MD2 1 41 ILE HG13 4.300 . 4.300 2.362 1.953 2.698 . 0 0 "[ . 1 . 2 . 3 . ]" 1 112 1 5 LEU MD2 1 46 PHE QD 5.000 . 5.000 2.500 1.861 3.026 . 0 0 "[ . 1 . 2 . 3 . ]" 1 113 1 5 LEU MD2 1 46 PHE QE 5.000 . 5.000 2.845 1.957 3.566 . 0 0 "[ . 1 . 2 . 3 . ]" 1 114 1 5 LEU MD2 1 49 ILE MD 5.400 . 5.400 1.968 1.810 2.466 . 0 0 "[ . 1 . 2 . 3 . ]" 1 115 1 5 LEU MD2 1 49 ILE MG 4.600 . 4.600 2.147 1.761 2.649 0.039 34 0 "[ . 1 . 2 . 3 . ]" 1 116 1 5 LEU HG 1 7 VAL MG2 4.300 . 4.300 2.420 2.056 2.964 . 0 0 "[ . 1 . 2 . 3 . ]" 1 117 1 5 LEU N 1 48 VAL O 3.300 . 3.300 2.680 2.602 2.776 . 0 0 "[ . 1 . 2 . 3 . ]" 1 118 1 5 LEU O 1 50 VAL H 2.300 . 2.300 1.972 1.788 2.196 0.012 5 0 "[ . 1 . 2 . 3 . ]" 1 119 1 5 LEU O 1 50 VAL N 3.300 . 3.300 2.639 2.494 2.896 . 0 0 "[ . 1 . 2 . 3 . ]" 1 120 1 6 VAL H 1 6 VAL HB 3.300 . 3.300 2.726 2.612 2.860 . 0 0 "[ . 1 . 2 . 3 . ]" 1 121 1 6 VAL H 1 6 VAL MG2 3.300 . 3.300 2.481 2.319 2.635 . 0 0 "[ . 1 . 2 . 3 . ]" 1 122 1 6 VAL H 1 29 ASP H 3.300 . 3.300 3.317 3.094 3.384 0.084 30 0 "[ . 1 . 2 . 3 . ]" 1 123 1 6 VAL H 1 30 THR HA 3.300 . 3.300 2.277 1.928 2.970 . 0 0 "[ . 1 . 2 . 3 . ]" 1 124 1 6 VAL H 1 30 THR MG 6.000 . 6.000 3.352 2.895 4.236 . 0 0 "[ . 1 . 2 . 3 . ]" 1 125 1 6 VAL HA 1 7 VAL H 2.900 . 2.900 2.230 2.150 2.265 . 0 0 "[ . 1 . 2 . 3 . ]" 1 126 1 6 VAL HA 1 50 VAL H 3.300 . 3.300 3.254 2.991 3.325 0.025 27 0 "[ . 1 . 2 . 3 . ]" 1 127 1 6 VAL HB 1 7 VAL H 5.000 . 5.000 4.278 3.766 4.445 . 0 0 "[ . 1 . 2 . 3 . ]" 1 128 1 6 VAL HB 1 14 THR MG 4.300 . 4.300 3.183 2.681 3.489 . 0 0 "[ . 1 . 2 . 3 . ]" 1 129 1 6 VAL HB 1 17 LEU MD1 6.000 . 6.000 3.497 2.932 3.935 . 0 0 "[ . 1 . 2 . 3 . ]" 1 130 1 6 VAL HB 1 30 THR HA 3.300 . 3.300 2.178 1.927 2.472 . 0 0 "[ . 1 . 2 . 3 . ]" 1 131 1 6 VAL HB 1 30 THR MG 4.300 . 4.300 2.051 1.781 2.439 0.019 30 0 "[ . 1 . 2 . 3 . ]" 1 132 1 6 VAL HB 1 31 ALA H 5.000 . 5.000 3.731 3.394 4.049 . 0 0 "[ . 1 . 2 . 3 . ]" 1 133 1 6 VAL MG1 1 7 VAL H 4.300 . 4.300 3.133 2.165 3.482 . 0 0 "[ . 1 . 2 . 3 . ]" 1 134 1 6 VAL MG1 1 8 ASP HB2 4.300 . 4.300 3.134 2.718 3.538 . 0 0 "[ . 1 . 2 . 3 . ]" 1 135 1 6 VAL MG1 1 8 ASP HB3 4.300 . 4.300 3.334 3.248 3.483 . 0 0 "[ . 1 . 2 . 3 . ]" 1 136 1 6 VAL MG1 1 14 THR H 5.000 . 5.000 3.595 2.686 4.114 . 0 0 "[ . 1 . 2 . 3 . ]" 1 137 1 6 VAL MG1 1 14 THR MG 4.600 . 4.600 1.977 1.649 2.636 0.151 28 0 "[ . 1 . 2 . 3 . ]" 1 138 1 6 VAL MG1 1 17 LEU MD1 4.600 . 4.600 2.289 1.901 2.888 . 0 0 "[ . 1 . 2 . 3 . ]" 1 139 1 6 VAL MG1 1 17 LEU MD2 7.100 . 7.100 4.268 4.069 4.444 . 0 0 "[ . 1 . 2 . 3 . ]" 1 140 1 6 VAL MG1 1 17 LEU HG 4.300 . 4.300 3.291 2.954 3.437 . 0 0 "[ . 1 . 2 . 3 . ]" 1 141 1 6 VAL MG2 1 17 LEU MD1 4.600 . 4.600 1.699 1.600 1.907 0.200 28 0 "[ . 1 . 2 . 3 . ]" 1 142 1 6 VAL MG2 1 17 LEU MD2 7.100 . 7.100 3.615 3.217 3.967 . 0 0 "[ . 1 . 2 . 3 . ]" 1 143 1 6 VAL MG2 1 17 LEU HG 4.300 . 4.300 3.385 3.078 3.481 . 0 0 "[ . 1 . 2 . 3 . ]" 1 144 1 6 VAL MG2 1 28 PRO HA 6.000 . 6.000 3.685 3.239 4.147 . 0 0 "[ . 1 . 2 . 3 . ]" 1 145 1 6 VAL MG2 1 28 PRO QB 4.400 . 4.400 2.800 2.440 3.265 . 0 0 "[ . 1 . 2 . 3 . ]" 1 146 1 6 VAL MG2 1 28 PRO QG 6.900 . 6.900 4.274 3.885 4.857 . 0 0 "[ . 1 . 2 . 3 . ]" 1 147 1 6 VAL MG2 1 30 THR HA 4.300 . 4.300 3.407 3.097 3.595 . 0 0 "[ . 1 . 2 . 3 . ]" 1 148 1 6 VAL MG2 1 30 THR MG 4.600 . 4.600 2.363 1.902 2.921 . 0 0 "[ . 1 . 2 . 3 . ]" 1 149 1 7 VAL H 1 7 VAL HB 3.300 . 3.300 2.646 2.439 2.913 . 0 0 "[ . 1 . 2 . 3 . ]" 1 150 1 7 VAL H 1 7 VAL MG2 3.500 . 3.500 2.326 2.031 2.802 . 0 0 "[ . 1 . 2 . 3 . ]" 1 151 1 7 VAL H 1 8 ASP H 5.000 . 5.000 4.321 4.106 4.468 . 0 0 "[ . 1 . 2 . 3 . ]" 1 152 1 7 VAL H 1 50 VAL O 2.300 . 2.300 1.986 1.768 2.338 0.038 17 0 "[ . 1 . 2 . 3 . ]" 1 153 1 7 VAL H 1 51 LEU HA 3.300 . 3.300 3.078 2.781 3.331 0.031 16 0 "[ . 1 . 2 . 3 . ]" 1 154 1 7 VAL H 1 51 LEU HB2 6.000 . 6.000 5.015 4.411 5.297 . 0 0 "[ . 1 . 2 . 3 . ]" 1 155 1 7 VAL H 1 51 LEU QB 5.500 . 5.500 4.741 4.241 4.919 . 0 0 "[ . 1 . 2 . 3 . ]" 1 156 1 7 VAL H 1 51 LEU HB3 6.000 . 6.000 5.857 5.488 6.003 0.003 26 0 "[ . 1 . 2 . 3 . ]" 1 157 1 7 VAL HA 1 7 VAL MG2 3.300 . 3.300 2.441 2.313 2.554 . 0 0 "[ . 1 . 2 . 3 . ]" 1 158 1 7 VAL HA 1 8 ASP H 2.900 . 2.900 2.154 2.106 2.207 . 0 0 "[ . 1 . 2 . 3 . ]" 1 159 1 7 VAL HA 1 14 THR MG 6.000 . 6.000 5.013 4.480 5.110 . 0 0 "[ . 1 . 2 . 3 . ]" 1 160 1 7 VAL HA 1 30 THR HB 5.000 . 5.000 4.945 4.463 5.052 0.052 28 0 "[ . 1 . 2 . 3 . ]" 1 161 1 7 VAL HA 1 31 ALA H 3.300 . 3.300 2.553 2.188 3.103 . 0 0 "[ . 1 . 2 . 3 . ]" 1 162 1 7 VAL HB 1 31 ALA MB 6.000 . 6.000 4.288 3.672 4.861 . 0 0 "[ . 1 . 2 . 3 . ]" 1 163 1 7 VAL HB 1 34 LEU MD2 5.000 . 5.000 4.028 3.790 4.152 . 0 0 "[ . 1 . 2 . 3 . ]" 1 164 1 7 VAL HB 1 51 LEU HA 3.300 . 3.300 2.043 1.913 2.392 . 0 0 "[ . 1 . 2 . 3 . ]" 1 165 1 7 VAL HB 1 51 LEU MD1 3.500 . 3.500 2.076 1.811 2.515 . 0 0 "[ . 1 . 2 . 3 . ]" 1 166 1 7 VAL HB 1 52 ASP H 5.000 . 5.000 3.429 2.696 4.134 . 0 0 "[ . 1 . 2 . 3 . ]" 1 167 1 7 VAL MG1 1 8 ASP H 5.000 . 5.000 2.906 2.564 3.303 . 0 0 "[ . 1 . 2 . 3 . ]" 1 168 1 7 VAL MG1 1 31 ALA MB 5.400 . 5.400 2.412 1.943 3.414 . 0 0 "[ . 1 . 2 . 3 . ]" 1 169 1 7 VAL MG1 1 34 LEU HA 4.300 . 4.300 2.837 2.472 3.253 . 0 0 "[ . 1 . 2 . 3 . ]" 1 170 1 7 VAL MG1 1 34 LEU MD2 4.600 . 4.600 2.727 2.412 2.916 . 0 0 "[ . 1 . 2 . 3 . ]" 1 171 1 7 VAL MG1 1 51 LEU HA 4.300 . 4.300 3.486 3.136 3.607 . 0 0 "[ . 1 . 2 . 3 . ]" 1 172 1 7 VAL MG2 1 31 ALA H 6.000 . 6.000 3.615 3.187 4.436 . 0 0 "[ . 1 . 2 . 3 . ]" 1 173 1 7 VAL MG2 1 31 ALA MB 5.400 . 5.400 2.271 1.798 2.900 0.002 17 0 "[ . 1 . 2 . 3 . ]" 1 174 1 7 VAL MG2 1 51 LEU HA 6.000 . 6.000 3.379 2.775 3.892 . 0 0 "[ . 1 . 2 . 3 . ]" 1 175 1 7 VAL N 1 50 VAL O 3.300 . 3.300 2.770 2.515 3.233 . 0 0 "[ . 1 . 2 . 3 . ]" 1 176 1 8 ASP H 1 8 ASP QB 3.700 . 3.700 2.715 2.372 2.894 . 0 0 "[ . 1 . 2 . 3 . ]" 1 177 1 8 ASP H 1 9 ASP H 5.000 . 5.000 4.311 3.975 4.478 . 0 0 "[ . 1 . 2 . 3 . ]" 1 178 1 8 ASP H 1 31 ALA H 5.000 . 5.000 3.435 3.129 3.773 . 0 0 "[ . 1 . 2 . 3 . ]" 1 179 1 8 ASP H 1 31 ALA MB 6.000 . 6.000 3.616 2.959 4.720 . 0 0 "[ . 1 . 2 . 3 . ]" 1 180 1 8 ASP H 1 32 LYS HA 3.300 . 3.300 3.329 3.244 3.373 0.073 34 0 "[ . 1 . 2 . 3 . ]" 1 181 1 8 ASP H 1 32 LYS QG 5.900 . 5.900 5.184 4.898 5.327 . 0 0 "[ . 1 . 2 . 3 . ]" 1 182 1 8 ASP H 1 51 LEU MD1 6.000 . 6.000 4.647 4.302 4.915 . 0 0 "[ . 1 . 2 . 3 . ]" 1 183 1 8 ASP HA 1 9 ASP H 2.900 . 2.900 2.258 2.141 2.412 . 0 0 "[ . 1 . 2 . 3 . ]" 1 184 1 8 ASP QB 1 14 THR MG 3.900 . 3.900 2.265 1.882 2.632 0.018 30 0 "[ . 1 . 2 . 3 . ]" 1 185 1 8 ASP HB2 1 14 THR MG 4.300 . 4.300 2.891 2.044 3.623 . 0 0 "[ . 1 . 2 . 3 . ]" 1 186 1 8 ASP HB3 1 14 THR MG 4.300 . 4.300 2.427 1.992 2.766 . 0 0 "[ . 1 . 2 . 3 . ]" 1 187 1 9 ASP H 1 9 ASP HB2 3.300 . 3.300 2.673 2.490 2.811 . 0 0 "[ . 1 . 2 . 3 . ]" 1 188 1 9 ASP H 1 9 ASP QB 3.700 . 3.700 2.296 2.225 2.348 . 0 0 "[ . 1 . 2 . 3 . ]" 1 189 1 9 ASP H 1 9 ASP HB3 3.300 . 3.300 2.511 2.376 2.693 . 0 0 "[ . 1 . 2 . 3 . ]" 1 190 1 9 ASP H 1 10 GLU H 3.300 . 3.300 3.207 2.569 3.370 0.070 20 0 "[ . 1 . 2 . 3 . ]" 1 191 1 9 ASP H 1 32 LYS HA 5.000 . 5.000 5.006 4.780 5.069 0.069 20 0 "[ . 1 . 2 . 3 . ]" 1 192 1 9 ASP H 1 54 TRP H 3.300 . 3.300 3.313 3.115 3.359 0.059 19 0 "[ . 1 . 2 . 3 . ]" 1 193 1 9 ASP HA 1 54 TRP QB 5.900 . 5.900 4.746 4.503 5.088 . 0 0 "[ . 1 . 2 . 3 . ]" 1 194 1 9 ASP QB 1 56 PRO QB 5.000 . 5.000 2.491 1.861 3.772 . 0 0 "[ . 1 . 2 . 3 . ]" 1 195 1 9 ASP HB2 1 56 PRO HG2 5.000 . 5.000 4.193 3.106 5.012 0.012 4 0 "[ . 1 . 2 . 3 . ]" 1 196 1 9 ASP HB2 1 56 PRO HG3 5.000 . 5.000 2.790 1.961 4.244 . 0 0 "[ . 1 . 2 . 3 . ]" 1 197 1 9 ASP HB3 1 56 PRO HG2 5.000 . 5.000 4.960 4.412 5.041 0.041 7 0 "[ . 1 . 2 . 3 . ]" 1 198 1 9 ASP HB3 1 56 PRO HG3 5.000 . 5.000 3.591 3.259 4.437 . 0 0 "[ . 1 . 2 . 3 . ]" 1 199 1 10 GLU H 1 10 GLU QB 3.700 . 3.700 2.622 2.081 3.354 . 0 0 "[ . 1 . 2 . 3 . ]" 1 200 1 12 SER HA 1 12 SER QB 2.600 . 2.600 2.262 2.162 2.356 . 0 0 "[ . 1 . 2 . 3 . ]" 1 201 1 13 ILE H 1 13 ILE HB 3.300 . 3.300 2.930 2.293 3.557 0.257 28 0 "[ . 1 . 2 . 3 . ]" 1 202 1 13 ILE H 1 13 ILE QG 4.200 . 4.200 2.443 1.850 3.651 . 0 0 "[ . 1 . 2 . 3 . ]" 1 203 1 13 ILE H 1 14 THR H 5.000 . 5.000 3.769 1.981 4.659 . 0 0 "[ . 1 . 2 . 3 . ]" 1 204 1 13 ILE HA 1 13 ILE MD 3.500 . 3.500 2.255 1.953 2.846 . 0 0 "[ . 1 . 2 . 3 . ]" 1 205 1 13 ILE HB 1 14 THR H 3.300 . 3.300 3.090 2.205 3.459 0.159 20 0 "[ . 1 . 2 . 3 . ]" 1 206 1 13 ILE MD 1 17 LEU QB 6.900 . 6.900 4.517 2.849 5.157 . 0 0 "[ . 1 . 2 . 3 . ]" 1 207 1 13 ILE MG 1 14 THR H 4.300 . 4.300 2.385 1.743 3.569 0.057 20 0 "[ . 1 . 2 . 3 . ]" 1 208 1 13 ILE MG 1 14 THR HA 5.000 . 5.000 3.744 2.876 4.037 . 0 0 "[ . 1 . 2 . 3 . ]" 1 209 1 13 ILE MG 1 17 LEU H 5.000 . 5.000 3.556 2.204 4.077 . 0 0 "[ . 1 . 2 . 3 . ]" 1 210 1 13 ILE MG 1 17 LEU HB2 4.300 . 4.300 2.849 1.786 3.574 0.014 26 0 "[ . 1 . 2 . 3 . ]" 1 211 1 13 ILE MG 1 17 LEU QB 3.900 . 3.900 2.303 1.685 3.011 0.215 2 0 "[ . 1 . 2 . 3 . ]" 1 212 1 13 ILE MG 1 17 LEU HB3 4.300 . 4.300 2.511 1.908 3.345 . 0 0 "[ . 1 . 2 . 3 . ]" 1 213 1 13 ILE MG 1 17 LEU MD1 7.100 . 7.100 3.076 2.220 4.044 . 0 0 "[ . 1 . 2 . 3 . ]" 1 214 1 13 ILE MG 1 18 SER H 5.000 . 5.000 3.120 2.092 4.036 . 0 0 "[ . 1 . 2 . 3 . ]" 1 215 1 14 THR H 1 14 THR MG 3.300 . 3.300 2.296 1.942 2.621 . 0 0 "[ . 1 . 2 . 3 . ]" 1 216 1 14 THR H 1 15 SER H 5.000 . 5.000 3.836 2.680 4.600 . 0 0 "[ . 1 . 2 . 3 . ]" 1 217 1 14 THR HA 1 14 THR MG 3.300 . 3.300 2.409 2.252 2.638 . 0 0 "[ . 1 . 2 . 3 . ]" 1 218 1 14 THR HA 1 17 LEU QB 5.900 . 5.900 4.024 2.958 5.330 . 0 0 "[ . 1 . 2 . 3 . ]" 1 219 1 14 THR MG 1 17 LEU QB 6.900 . 6.900 4.024 3.485 4.896 . 0 0 "[ . 1 . 2 . 3 . ]" 1 220 1 15 SER H 1 15 SER QB 3.700 . 3.700 2.349 2.099 2.903 . 0 0 "[ . 1 . 2 . 3 . ]" 1 221 1 15 SER HA 1 18 SER QB 5.900 . 5.900 4.475 3.006 5.362 . 0 0 "[ . 1 . 2 . 3 . ]" 1 222 1 15 SER QB 1 16 SER H 4.200 . 4.200 3.125 2.031 3.889 . 0 0 "[ . 1 . 2 . 3 . ]" 1 223 1 16 SER H 1 17 LEU H 5.000 . 5.000 2.773 2.203 3.317 . 0 0 "[ . 1 . 2 . 3 . ]" 1 224 1 16 SER HA 1 16 SER QB 2.600 . 2.600 2.291 2.166 2.490 . 0 0 "[ . 1 . 2 . 3 . ]" 1 225 1 16 SER HA 1 18 SER H 5.000 . 5.000 4.714 3.912 4.988 . 0 0 "[ . 1 . 2 . 3 . ]" 1 226 1 16 SER HA 1 19 ALA MB 4.300 . 4.300 3.130 2.508 3.461 . 0 0 "[ . 1 . 2 . 3 . ]" 1 227 1 16 SER QB 1 17 LEU H 4.200 . 4.200 2.881 2.066 3.636 . 0 0 "[ . 1 . 2 . 3 . ]" 1 228 1 17 LEU H 1 17 LEU HB2 3.300 . 3.300 2.290 2.025 2.691 . 0 0 "[ . 1 . 2 . 3 . ]" 1 229 1 17 LEU H 1 17 LEU QB 2.800 . 2.800 2.151 2.005 2.238 . 0 0 "[ . 1 . 2 . 3 . ]" 1 230 1 17 LEU H 1 17 LEU HB3 3.300 . 3.300 2.883 2.326 3.320 0.020 11 0 "[ . 1 . 2 . 3 . ]" 1 231 1 17 LEU H 1 17 LEU MD2 5.000 . 5.000 3.843 3.186 4.112 . 0 0 "[ . 1 . 2 . 3 . ]" 1 232 1 17 LEU H 1 17 LEU HG 5.000 . 5.000 4.264 3.730 4.631 . 0 0 "[ . 1 . 2 . 3 . ]" 1 233 1 17 LEU H 1 18 SER H 3.300 . 3.300 2.755 2.392 3.137 . 0 0 "[ . 1 . 2 . 3 . ]" 1 234 1 17 LEU HA 1 17 LEU MD1 4.300 . 4.300 3.470 3.070 3.719 . 0 0 "[ . 1 . 2 . 3 . ]" 1 235 1 17 LEU HA 1 17 LEU MD2 3.500 . 3.500 1.885 1.745 2.187 0.055 18 0 "[ . 1 . 2 . 3 . ]" 1 236 1 17 LEU HA 1 20 ILE HB 2.500 . 2.500 2.515 2.205 2.560 0.060 21 0 "[ . 1 . 2 . 3 . ]" 1 237 1 17 LEU HA 1 20 ILE MD 3.500 . 3.500 2.377 1.794 2.761 0.006 24 0 "[ . 1 . 2 . 3 . ]" 1 238 1 17 LEU HA 1 21 LEU H 5.000 . 5.000 3.799 3.339 4.341 . 0 0 "[ . 1 . 2 . 3 . ]" 1 239 1 17 LEU HA 1 106 VAL MG1 5.000 . 5.000 3.713 2.144 4.067 . 0 0 "[ . 1 . 2 . 3 . ]" 1 240 1 17 LEU QB 1 18 SER H 4.100 . 4.100 2.384 2.088 2.625 . 0 0 "[ . 1 . 2 . 3 . ]" 1 241 1 17 LEU HB2 1 18 SER H 5.000 . 5.000 3.369 2.878 3.997 . 0 0 "[ . 1 . 2 . 3 . ]" 1 242 1 17 LEU HB3 1 18 SER H 5.000 . 5.000 2.468 2.107 2.901 . 0 0 "[ . 1 . 2 . 3 . ]" 1 243 1 17 LEU MD1 1 21 LEU MD1 7.100 . 7.100 1.808 1.644 3.275 0.156 21 0 "[ . 1 . 2 . 3 . ]" 1 244 1 17 LEU MD2 1 20 ILE HB 4.300 . 4.300 2.693 2.118 3.137 . 0 0 "[ . 1 . 2 . 3 . ]" 1 245 1 17 LEU MD2 1 20 ILE MD 4.600 . 4.600 2.706 2.284 2.923 . 0 0 "[ . 1 . 2 . 3 . ]" 1 246 1 17 LEU MD2 1 20 ILE MG 7.100 . 7.100 2.982 2.594 3.363 . 0 0 "[ . 1 . 2 . 3 . ]" 1 247 1 17 LEU MD2 1 21 LEU MD1 4.600 . 4.600 2.180 1.764 2.805 0.036 8 0 "[ . 1 . 2 . 3 . ]" 1 248 1 17 LEU MD2 1 106 VAL MG2 4.600 . 4.600 1.846 1.672 2.442 0.128 10 0 "[ . 1 . 2 . 3 . ]" 1 249 1 17 LEU MD2 1 109 PHE QD 5.000 . 5.000 2.597 2.025 3.570 . 0 0 "[ . 1 . 2 . 3 . ]" 1 250 1 17 LEU MD2 1 109 PHE QE 5.000 . 5.000 2.122 1.890 3.134 . 0 0 "[ . 1 . 2 . 3 . ]" 1 251 1 17 LEU HG 1 18 SER H 5.000 . 5.000 4.851 4.291 5.019 0.019 20 0 "[ . 1 . 2 . 3 . ]" 1 252 1 17 LEU HG 1 106 VAL MG2 4.300 . 4.300 3.262 2.566 3.565 . 0 0 "[ . 1 . 2 . 3 . ]" 1 253 1 18 SER H 1 18 SER HA 2.900 . 2.900 2.743 2.682 2.793 . 0 0 "[ . 1 . 2 . 3 . ]" 1 254 1 18 SER H 1 18 SER QB 3.700 . 3.700 2.256 2.080 2.836 . 0 0 "[ . 1 . 2 . 3 . ]" 1 255 1 18 SER H 1 19 ALA H 3.300 . 3.300 2.995 2.749 3.250 . 0 0 "[ . 1 . 2 . 3 . ]" 1 256 1 18 SER H 1 21 LEU MD1 6.000 . 6.000 3.557 3.046 3.958 . 0 0 "[ . 1 . 2 . 3 . ]" 1 257 1 18 SER HA 1 21 LEU HB2 5.000 . 5.000 3.642 3.124 5.146 0.146 30 0 "[ . 1 . 2 . 3 . ]" 1 258 1 18 SER HA 1 21 LEU HB3 5.000 . 5.000 4.803 3.714 5.038 0.038 27 0 "[ . 1 . 2 . 3 . ]" 1 259 1 18 SER HA 1 21 LEU MD1 4.300 . 4.300 2.301 1.687 2.799 0.113 30 0 "[ . 1 . 2 . 3 . ]" 1 260 1 18 SER QB 1 19 ALA H 4.200 . 4.200 2.389 1.958 3.313 . 0 0 "[ . 1 . 2 . 3 . ]" 1 261 1 18 SER O 1 22 GLU H 2.300 . 2.300 2.114 1.777 2.370 0.070 26 0 "[ . 1 . 2 . 3 . ]" 1 262 1 18 SER O 1 22 GLU N 3.300 . 3.300 2.950 2.642 3.228 . 0 0 "[ . 1 . 2 . 3 . ]" 1 263 1 19 ALA H 1 19 ALA MB 3.300 . 3.300 2.143 2.016 2.234 . 0 0 "[ . 1 . 2 . 3 . ]" 1 264 1 19 ALA H 1 20 ILE H 3.300 . 3.300 2.736 2.524 2.894 . 0 0 "[ . 1 . 2 . 3 . ]" 1 265 1 19 ALA H 1 20 ILE HB 5.000 . 5.000 4.788 4.575 4.982 . 0 0 "[ . 1 . 2 . 3 . ]" 1 266 1 19 ALA HA 1 22 GLU QB 3.400 . 3.400 2.591 2.342 2.937 . 0 0 "[ . 1 . 2 . 3 . ]" 1 267 1 19 ALA MB 1 20 ILE H 3.300 . 3.300 2.603 2.340 2.704 . 0 0 "[ . 1 . 2 . 3 . ]" 1 268 1 20 ILE H 1 20 ILE HB 2.900 . 2.900 2.356 2.229 2.448 . 0 0 "[ . 1 . 2 . 3 . ]" 1 269 1 20 ILE H 1 20 ILE MD 5.000 . 5.000 3.362 1.972 3.741 . 0 0 "[ . 1 . 2 . 3 . ]" 1 270 1 20 ILE H 1 20 ILE HG12 5.000 . 5.000 3.794 3.553 4.207 . 0 0 "[ . 1 . 2 . 3 . ]" 1 271 1 20 ILE H 1 20 ILE QG 4.100 . 4.100 2.470 2.180 3.197 . 0 0 "[ . 1 . 2 . 3 . ]" 1 272 1 20 ILE H 1 20 ILE HG13 5.000 . 5.000 2.506 2.200 3.327 . 0 0 "[ . 1 . 2 . 3 . ]" 1 273 1 20 ILE H 1 21 LEU H 3.300 . 3.300 2.966 2.831 3.111 . 0 0 "[ . 1 . 2 . 3 . ]" 1 274 1 20 ILE HA 1 20 ILE HG12 3.300 . 3.300 2.633 2.384 3.343 0.043 26 0 "[ . 1 . 2 . 3 . ]" 1 275 1 20 ILE HA 1 20 ILE HG13 3.300 . 3.300 2.642 2.108 2.913 . 0 0 "[ . 1 . 2 . 3 . ]" 1 276 1 20 ILE HA 1 23 GLU H 3.300 . 3.300 3.346 3.326 3.371 0.071 8 0 "[ . 1 . 2 . 3 . ]" 1 277 1 20 ILE HA 1 23 GLU QB 3.400 . 3.400 2.754 2.538 2.927 . 0 0 "[ . 1 . 2 . 3 . ]" 1 278 1 20 ILE HB 1 20 ILE QG 2.600 . 2.600 2.420 2.353 2.528 . 0 0 "[ . 1 . 2 . 3 . ]" 1 279 1 20 ILE HB 1 21 LEU H 5.000 . 5.000 2.224 1.998 2.567 . 0 0 "[ . 1 . 2 . 3 . ]" 1 280 1 20 ILE MD 1 106 VAL HA 6.000 . 6.000 4.484 4.019 4.954 . 0 0 "[ . 1 . 2 . 3 . ]" 1 281 1 20 ILE MD 1 106 VAL HB 6.000 . 6.000 3.656 2.626 4.232 . 0 0 "[ . 1 . 2 . 3 . ]" 1 282 1 20 ILE MG 1 21 LEU H 3.300 . 3.300 2.557 2.481 2.644 . 0 0 "[ . 1 . 2 . 3 . ]" 1 283 1 20 ILE MG 1 24 GLU H 5.000 . 5.000 3.908 3.554 4.041 . 0 0 "[ . 1 . 2 . 3 . ]" 1 284 1 20 ILE MG 1 107 GLU HA 5.000 . 5.000 3.919 3.849 4.068 . 0 0 "[ . 1 . 2 . 3 . ]" 1 285 1 20 ILE O 1 24 GLU H 2.300 . 2.300 2.069 1.829 2.315 0.015 21 0 "[ . 1 . 2 . 3 . ]" 1 286 1 20 ILE O 1 24 GLU N 3.300 . 3.300 2.985 2.769 3.198 . 0 0 "[ . 1 . 2 . 3 . ]" 1 287 1 21 LEU H 1 21 LEU MD1 3.300 . 3.300 2.623 2.367 2.746 . 0 0 "[ . 1 . 2 . 3 . ]" 1 288 1 21 LEU H 1 21 LEU MD2 5.000 . 5.000 3.604 2.186 4.088 . 0 0 "[ . 1 . 2 . 3 . ]" 1 289 1 21 LEU H 1 23 GLU H 5.000 . 5.000 4.189 4.057 4.337 . 0 0 "[ . 1 . 2 . 3 . ]" 1 290 1 21 LEU HA 1 21 LEU MD2 3.500 . 3.500 2.850 2.735 3.149 . 0 0 "[ . 1 . 2 . 3 . ]" 1 291 1 21 LEU HA 1 24 GLU QB 3.400 . 3.400 2.614 2.384 3.043 . 0 0 "[ . 1 . 2 . 3 . ]" 1 292 1 21 LEU HA 1 26 TYR QD 5.000 . 5.000 2.982 1.975 4.363 . 0 0 "[ . 1 . 2 . 3 . ]" 1 293 1 21 LEU QB 1 22 GLU H 5.900 . 5.900 2.888 2.523 3.866 . 0 0 "[ . 1 . 2 . 3 . ]" 1 294 1 21 LEU QB 1 28 PRO QG 5.000 . 5.000 2.456 1.779 3.974 0.021 21 0 "[ . 1 . 2 . 3 . ]" 1 295 1 21 LEU HB2 1 28 PRO HG2 6.800 . 6.800 4.138 2.434 6.077 . 0 0 "[ . 1 . 2 . 3 . ]" 1 296 1 21 LEU HB2 1 28 PRO HG3 6.800 . 6.800 2.686 1.908 4.609 . 0 0 "[ . 1 . 2 . 3 . ]" 1 297 1 21 LEU HB3 1 28 PRO HG2 6.800 . 6.800 4.641 3.514 6.133 . 0 0 "[ . 1 . 2 . 3 . ]" 1 298 1 21 LEU HB3 1 28 PRO HG3 6.800 . 6.800 3.104 2.137 4.629 . 0 0 "[ . 1 . 2 . 3 . ]" 1 299 1 21 LEU MD1 1 22 GLU H 5.000 . 5.000 3.786 1.926 4.069 . 0 0 "[ . 1 . 2 . 3 . ]" 1 300 1 21 LEU MD1 1 28 PRO HA 6.000 . 6.000 4.007 3.516 4.977 . 0 0 "[ . 1 . 2 . 3 . ]" 1 301 1 21 LEU MD1 1 28 PRO QB 4.400 . 4.400 2.161 1.760 2.952 0.040 3 0 "[ . 1 . 2 . 3 . ]" 1 302 1 21 LEU MD1 1 28 PRO HG2 4.300 . 4.300 3.179 2.176 3.462 . 0 0 "[ . 1 . 2 . 3 . ]" 1 303 1 21 LEU MD1 1 28 PRO HG3 4.300 . 4.300 2.090 1.697 2.554 0.103 14 0 "[ . 1 . 2 . 3 . ]" 1 304 1 21 LEU MD2 1 26 TYR HB2 6.000 . 6.000 2.558 1.725 3.850 0.075 24 0 "[ . 1 . 2 . 3 . ]" 1 305 1 21 LEU MD2 1 26 TYR QB 5.200 . 5.200 2.400 1.708 3.699 0.092 24 0 "[ . 1 . 2 . 3 . ]" 1 306 1 21 LEU MD2 1 26 TYR HB3 6.000 . 6.000 2.987 2.236 4.842 . 0 0 "[ . 1 . 2 . 3 . ]" 1 307 1 22 GLU H 1 22 GLU QB 3.400 . 3.400 2.202 2.064 2.391 . 0 0 "[ . 1 . 2 . 3 . ]" 1 308 1 22 GLU H 1 22 GLU QG 4.200 . 4.200 3.143 2.372 3.908 . 0 0 "[ . 1 . 2 . 3 . ]" 1 309 1 22 GLU H 1 23 GLU H 3.300 . 3.300 2.506 2.228 2.644 . 0 0 "[ . 1 . 2 . 3 . ]" 1 310 1 22 GLU HA 1 22 GLU QB 2.600 . 2.600 2.460 2.381 2.514 . 0 0 "[ . 1 . 2 . 3 . ]" 1 311 1 22 GLU HA 1 22 GLU HG2 3.300 . 3.300 2.439 2.110 3.302 0.002 2 0 "[ . 1 . 2 . 3 . ]" 1 312 1 22 GLU HA 1 22 GLU HG3 3.300 . 3.300 2.853 2.104 3.307 0.007 37 0 "[ . 1 . 2 . 3 . ]" 1 313 1 22 GLU QB 1 23 GLU H 3.800 . 3.800 2.890 2.794 2.967 . 0 0 "[ . 1 . 2 . 3 . ]" 1 314 1 23 GLU H 1 23 GLU QB 3.400 . 3.400 2.192 2.182 2.200 . 0 0 "[ . 1 . 2 . 3 . ]" 1 315 1 23 GLU H 1 23 GLU QG 4.200 . 4.200 3.855 3.847 3.870 . 0 0 "[ . 1 . 2 . 3 . ]" 1 316 1 23 GLU H 1 24 GLU H 2.900 . 2.900 2.356 2.314 2.416 . 0 0 "[ . 1 . 2 . 3 . ]" 1 317 1 23 GLU H 1 24 GLU HA 5.000 . 5.000 5.025 5.003 5.052 0.052 33 0 "[ . 1 . 2 . 3 . ]" 1 318 1 23 GLU HA 1 23 GLU QB 2.600 . 2.600 2.280 2.275 2.292 . 0 0 "[ . 1 . 2 . 3 . ]" 1 319 1 23 GLU HA 1 23 GLU QG 3.400 . 3.400 2.620 2.581 2.987 . 0 0 "[ . 1 . 2 . 3 . ]" 1 320 1 23 GLU QB 1 24 GLU H 3.400 . 3.400 2.750 2.633 2.787 . 0 0 "[ . 1 . 2 . 3 . ]" 1 321 1 23 GLU QG 1 24 GLU H 3.800 . 3.800 3.456 3.260 3.479 . 0 0 "[ . 1 . 2 . 3 . ]" 1 322 1 23 GLU QG 1 24 GLU HA 4.200 . 4.200 3.536 3.326 3.574 . 0 0 "[ . 1 . 2 . 3 . ]" 1 323 1 24 GLU H 1 24 GLU QB 3.300 . 3.300 2.271 2.039 2.533 . 0 0 "[ . 1 . 2 . 3 . ]" 1 324 1 24 GLU HA 1 24 GLU QB 2.600 . 2.600 2.434 2.321 2.526 . 0 0 "[ . 1 . 2 . 3 . ]" 1 325 1 24 GLU QB 1 25 GLY H 4.100 . 4.100 2.757 1.944 3.354 . 0 0 "[ . 1 . 2 . 3 . ]" 1 326 1 24 GLU QB 1 26 TYR QD 5.900 . 5.900 2.247 1.828 3.336 . 0 0 "[ . 1 . 2 . 3 . ]" 1 327 1 24 GLU QB 1 26 TYR QE 4.100 . 4.100 2.242 1.836 3.478 . 0 0 "[ . 1 . 2 . 3 . ]" 1 328 1 24 GLU QB 1 110 LEU MD1 6.900 . 6.900 3.838 2.711 4.878 . 0 0 "[ . 1 . 2 . 3 . ]" 1 329 1 24 GLU HB2 1 25 GLY H 5.000 . 5.000 3.005 1.976 3.697 . 0 0 "[ . 1 . 2 . 3 . ]" 1 330 1 24 GLU HB2 1 26 TYR QE 5.000 . 5.000 3.154 2.294 4.267 . 0 0 "[ . 1 . 2 . 3 . ]" 1 331 1 24 GLU HB3 1 25 GLY H 5.000 . 5.000 3.481 1.964 4.234 . 0 0 "[ . 1 . 2 . 3 . ]" 1 332 1 24 GLU HB3 1 26 TYR QE 5.000 . 5.000 2.331 1.843 3.745 . 0 0 "[ . 1 . 2 . 3 . ]" 1 333 1 24 GLU QG 1 26 TYR QD 8.000 . 8.000 3.748 2.856 4.493 . 0 0 "[ . 1 . 2 . 3 . ]" 1 334 1 24 GLU QG 1 26 TYR QE 5.900 . 5.900 3.059 1.990 4.300 . 0 0 "[ . 1 . 2 . 3 . ]" 1 335 1 24 GLU QG 1 110 LEU MD1 4.400 . 4.400 2.464 1.815 3.124 . 0 0 "[ . 1 . 2 . 3 . ]" 1 336 1 25 GLY H 1 25 GLY QA 2.600 . 2.600 2.288 2.245 2.450 . 0 0 "[ . 1 . 2 . 3 . ]" 1 337 1 25 GLY H 1 25 GLY HA3 2.900 . 2.900 2.894 2.367 2.940 0.040 26 0 "[ . 1 . 2 . 3 . ]" 1 338 1 25 GLY H 1 26 TYR H 2.900 . 2.900 2.392 1.985 2.919 0.019 33 0 "[ . 1 . 2 . 3 . ]" 1 339 1 25 GLY H 1 26 TYR QD 5.000 . 5.000 3.538 2.181 4.834 . 0 0 "[ . 1 . 2 . 3 . ]" 1 340 1 26 TYR H 1 27 HIS H 5.000 . 5.000 4.404 4.329 4.469 . 0 0 "[ . 1 . 2 . 3 . ]" 1 341 1 26 TYR HB2 1 27 HIS H 3.300 . 3.300 3.285 2.990 3.339 0.039 1 0 "[ . 1 . 2 . 3 . ]" 1 342 1 26 TYR HB3 1 27 HIS H 3.300 . 3.300 1.900 1.832 2.009 . 0 0 "[ . 1 . 2 . 3 . ]" 1 343 1 26 TYR QD 1 113 ILE MG 5.000 . 5.000 3.448 2.757 3.973 . 0 0 "[ . 1 . 2 . 3 . ]" 1 344 1 26 TYR QE 1 113 ILE MG 5.000 . 5.000 2.452 1.825 3.029 . 0 0 "[ . 1 . 2 . 3 . ]" 1 345 1 26 TYR QE 1 117 PHE QE 5.000 . 5.000 2.686 1.968 3.845 . 0 0 "[ . 1 . 2 . 3 . ]" 1 346 1 27 HIS H 1 27 HIS HB2 3.300 . 3.300 2.726 2.479 2.916 . 0 0 "[ . 1 . 2 . 3 . ]" 1 347 1 27 HIS H 1 27 HIS QB 3.700 . 3.700 2.577 2.413 2.738 . 0 0 "[ . 1 . 2 . 3 . ]" 1 348 1 27 HIS H 1 27 HIS HB3 3.300 . 3.300 3.208 2.993 3.359 0.059 20 0 "[ . 1 . 2 . 3 . ]" 1 349 1 27 HIS HA 1 28 PRO HD2 2.500 . 2.500 2.292 2.056 2.556 0.056 21 0 "[ . 1 . 2 . 3 . ]" 1 350 1 27 HIS HA 1 28 PRO QD 3.200 . 3.200 2.101 1.945 2.263 . 0 0 "[ . 1 . 2 . 3 . ]" 1 351 1 27 HIS HA 1 28 PRO HD3 2.500 . 2.500 2.484 2.028 2.541 0.041 23 0 "[ . 1 . 2 . 3 . ]" 1 352 1 28 PRO HA 1 29 ASP H 2.900 . 2.900 2.155 2.107 2.228 . 0 0 "[ . 1 . 2 . 3 . ]" 1 353 1 28 PRO HA 1 29 ASP HA 5.000 . 5.000 4.379 4.352 4.444 . 0 0 "[ . 1 . 2 . 3 . ]" 1 354 1 28 PRO QB 1 29 ASP H 4.000 . 4.000 3.167 2.791 3.537 . 0 0 "[ . 1 . 2 . 3 . ]" 1 355 1 29 ASP H 1 29 ASP HB2 3.300 . 3.300 2.775 2.278 3.298 . 0 0 "[ . 1 . 2 . 3 . ]" 1 356 1 29 ASP H 1 29 ASP HB3 3.300 . 3.300 2.966 2.587 3.327 0.027 38 0 "[ . 1 . 2 . 3 . ]" 1 357 1 29 ASP HA 1 29 ASP QB 2.600 . 2.600 2.444 2.338 2.532 . 0 0 "[ . 1 . 2 . 3 . ]" 1 358 1 29 ASP HA 1 30 THR H 2.900 . 2.900 2.845 2.159 3.267 0.367 32 0 "[ . 1 . 2 . 3 . ]" 1 359 1 29 ASP HA 1 30 THR MG 6.000 . 6.000 3.943 3.412 4.315 . 0 0 "[ . 1 . 2 . 3 . ]" 1 360 1 29 ASP HB2 1 30 THR H 5.000 . 5.000 4.169 3.752 4.634 . 0 0 "[ . 1 . 2 . 3 . ]" 1 361 1 29 ASP HB2 1 46 PHE QE 3.300 . 3.300 2.272 1.910 3.237 . 0 0 "[ . 1 . 2 . 3 . ]" 1 362 1 29 ASP HB3 1 30 THR H 5.000 . 5.000 3.803 3.311 4.370 . 0 0 "[ . 1 . 2 . 3 . ]" 1 363 1 29 ASP HB3 1 46 PHE QE 3.300 . 3.300 2.743 2.151 3.355 0.055 5 0 "[ . 1 . 2 . 3 . ]" 1 364 1 30 THR H 1 30 THR MG 3.300 . 3.300 2.240 1.927 2.704 . 0 0 "[ . 1 . 2 . 3 . ]" 1 365 1 30 THR HA 1 30 THR HB 2.500 . 2.500 2.389 2.311 2.502 0.002 19 0 "[ . 1 . 2 . 3 . ]" 1 366 1 30 THR HA 1 31 ALA H 2.900 . 2.900 2.183 2.088 2.521 . 0 0 "[ . 1 . 2 . 3 . ]" 1 367 1 30 THR HA 1 31 ALA MB 6.000 . 6.000 3.878 3.668 3.988 . 0 0 "[ . 1 . 2 . 3 . ]" 1 368 1 30 THR HB 1 31 ALA H 3.300 . 3.300 3.043 2.055 3.352 0.052 27 0 "[ . 1 . 2 . 3 . ]" 1 369 1 30 THR HB 1 31 ALA MB 6.500 . 6.500 4.885 4.359 5.073 . 0 0 "[ . 1 . 2 . 3 . ]" 1 370 1 30 THR MG 1 31 ALA H 5.000 . 5.000 4.022 3.443 4.224 . 0 0 "[ . 1 . 2 . 3 . ]" 1 371 1 31 ALA H 1 31 ALA MB 3.300 . 3.300 2.461 2.262 2.842 . 0 0 "[ . 1 . 2 . 3 . ]" 1 372 1 31 ALA MB 1 32 LYS H 4.300 . 4.300 2.218 1.804 3.101 . 0 0 "[ . 1 . 2 . 3 . ]" 1 373 1 31 ALA MB 1 36 GLU QB 5.200 . 5.200 2.644 1.930 3.377 . 0 0 "[ . 1 . 2 . 3 . ]" 1 374 1 31 ALA MB 1 36 GLU QG 5.900 . 5.900 3.800 2.926 4.271 . 0 0 "[ . 1 . 2 . 3 . ]" 1 375 1 31 ALA MB 1 37 ALA HA 3.500 . 3.500 2.478 2.032 2.837 . 0 0 "[ . 1 . 2 . 3 . ]" 1 376 1 32 LYS H 1 32 LYS QB 3.700 . 3.700 2.687 2.053 3.026 . 0 0 "[ . 1 . 2 . 3 . ]" 1 377 1 32 LYS H 1 32 LYS QG 4.200 . 4.200 2.531 1.766 3.891 0.034 35 0 "[ . 1 . 2 . 3 . ]" 1 378 1 32 LYS H 1 33 THR H 5.000 . 5.000 2.397 1.800 4.566 . 0 0 "[ . 1 . 2 . 3 . ]" 1 379 1 32 LYS HA 1 32 LYS HG2 3.300 . 3.300 2.905 2.259 3.368 0.068 2 0 "[ . 1 . 2 . 3 . ]" 1 380 1 32 LYS HA 1 32 LYS HG3 3.300 . 3.300 3.215 2.620 3.382 0.082 35 0 "[ . 1 . 2 . 3 . ]" 1 381 1 32 LYS QB 1 32 LYS QG 2.500 . 2.500 2.082 2.067 2.087 . 0 0 "[ . 1 . 2 . 3 . ]" 1 382 1 32 LYS QB 1 33 THR H 4.100 . 4.100 2.756 1.884 3.465 . 0 0 "[ . 1 . 2 . 3 . ]" 1 383 1 32 LYS HB2 1 33 THR H 5.000 . 5.000 3.158 2.579 4.211 . 0 0 "[ . 1 . 2 . 3 . ]" 1 384 1 32 LYS HB3 1 33 THR H 5.000 . 5.000 3.596 1.920 4.514 . 0 0 "[ . 1 . 2 . 3 . ]" 1 385 1 32 LYS QG 1 33 THR H 5.900 . 5.900 3.627 2.457 3.965 . 0 0 "[ . 1 . 2 . 3 . ]" 1 386 1 32 LYS QG 1 36 GLU QB 4.200 . 4.200 3.069 2.757 3.510 . 0 0 "[ . 1 . 2 . 3 . ]" 1 387 1 33 THR H 1 36 GLU H 5.000 . 5.000 3.559 3.168 4.364 . 0 0 "[ . 1 . 2 . 3 . ]" 1 388 1 33 THR H 1 37 ALA H 5.000 . 5.000 3.696 3.130 5.063 0.063 22 0 "[ . 1 . 2 . 3 . ]" 1 389 1 33 THR HA 1 35 ARG H 5.000 . 5.000 4.500 3.979 4.987 . 0 0 "[ . 1 . 2 . 3 . ]" 1 390 1 33 THR HB 1 34 LEU H 3.300 . 3.300 2.435 1.896 3.366 0.066 27 0 "[ . 1 . 2 . 3 . ]" 1 391 1 33 THR HB 1 35 ARG H 5.000 . 5.000 2.738 2.211 4.697 . 0 0 "[ . 1 . 2 . 3 . ]" 1 392 1 33 THR O 1 37 ALA H 2.300 . 2.300 1.914 1.775 2.306 0.025 20 0 "[ . 1 . 2 . 3 . ]" 1 393 1 33 THR O 1 37 ALA N 3.300 . 3.300 2.765 2.561 3.145 . 0 0 "[ . 1 . 2 . 3 . ]" 1 394 1 34 LEU H 1 34 LEU HG 5.000 . 5.000 2.090 1.798 2.671 0.002 28 0 "[ . 1 . 2 . 3 . ]" 1 395 1 34 LEU H 1 35 ARG H 5.000 . 5.000 2.714 2.365 3.209 . 0 0 "[ . 1 . 2 . 3 . ]" 1 396 1 34 LEU HA 1 34 LEU MD2 3.500 . 3.500 2.120 1.940 2.380 . 0 0 "[ . 1 . 2 . 3 . ]" 1 397 1 34 LEU HA 1 37 ALA H 3.300 . 3.300 3.332 3.310 3.367 0.067 28 0 "[ . 1 . 2 . 3 . ]" 1 398 1 34 LEU HA 1 37 ALA MB 3.500 . 3.500 2.278 1.898 2.727 . 0 0 "[ . 1 . 2 . 3 . ]" 1 399 1 34 LEU QB 1 35 ARG H 5.900 . 5.900 2.633 2.304 2.984 . 0 0 "[ . 1 . 2 . 3 . ]" 1 400 1 34 LEU QB 1 37 ALA H 5.900 . 5.900 4.704 4.602 4.791 . 0 0 "[ . 1 . 2 . 3 . ]" 1 401 1 34 LEU HB2 1 35 ARG H 5.000 . 5.000 2.689 2.336 3.066 . 0 0 "[ . 1 . 2 . 3 . ]" 1 402 1 34 LEU HB3 1 35 ARG H 5.000 . 5.000 3.780 3.406 4.092 . 0 0 "[ . 1 . 2 . 3 . ]" 1 403 1 34 LEU MD1 1 58 GLY H 5.000 . 5.000 3.930 3.305 4.055 . 0 0 "[ . 1 . 2 . 3 . ]" 1 404 1 34 LEU MD1 1 58 GLY QA 4.200 . 4.200 2.398 1.826 2.766 . 0 0 "[ . 1 . 2 . 3 . ]" 1 405 1 34 LEU MD1 1 58 GLY HA3 4.300 . 4.300 2.551 1.840 3.401 . 0 0 "[ . 1 . 2 . 3 . ]" 1 406 1 34 LEU MD1 1 60 GLY HA3 4.300 . 4.300 2.981 1.933 3.474 . 0 0 "[ . 1 . 2 . 3 . ]" 1 407 1 34 LEU MD1 1 63 PHE QB 5.200 . 5.200 2.411 1.860 2.917 . 0 0 "[ . 1 . 2 . 3 . ]" 1 408 1 34 LEU MD1 1 63 PHE QD 5.000 . 5.000 3.654 3.351 3.878 . 0 0 "[ . 1 . 2 . 3 . ]" 1 409 1 34 LEU MD2 1 37 ALA MB 5.400 . 5.400 3.308 3.079 3.494 . 0 0 "[ . 1 . 2 . 3 . ]" 1 410 1 34 LEU MD2 1 51 LEU QB 5.200 . 5.200 3.573 2.697 3.820 . 0 0 "[ . 1 . 2 . 3 . ]" 1 411 1 34 LEU MD2 1 51 LEU MD1 5.400 . 5.400 1.910 1.689 2.448 0.111 31 0 "[ . 1 . 2 . 3 . ]" 1 412 1 34 LEU MD2 1 63 PHE QB 5.200 . 5.200 2.410 1.914 2.969 . 0 0 "[ . 1 . 2 . 3 . ]" 1 413 1 34 LEU MD2 1 63 PHE QD 3.300 . 3.300 2.291 1.985 2.722 . 0 0 "[ . 1 . 2 . 3 . ]" 1 414 1 34 LEU MD2 1 63 PHE QE 5.000 . 5.000 2.875 2.551 3.306 . 0 0 "[ . 1 . 2 . 3 . ]" 1 415 1 34 LEU HG 1 35 ARG H 5.000 . 5.000 4.223 3.871 4.697 . 0 0 "[ . 1 . 2 . 3 . ]" 1 416 1 35 ARG H 1 35 ARG QB 3.400 . 3.400 2.252 2.043 2.687 . 0 0 "[ . 1 . 2 . 3 . ]" 1 417 1 35 ARG H 1 36 GLU H 3.300 . 3.300 2.704 2.456 3.028 . 0 0 "[ . 1 . 2 . 3 . ]" 1 418 1 35 ARG HA 1 35 ARG HD2 5.000 . 5.000 4.119 2.453 4.837 . 0 0 "[ . 1 . 2 . 3 . ]" 1 419 1 35 ARG HA 1 35 ARG HD3 5.000 . 5.000 3.926 1.998 4.809 . 0 0 "[ . 1 . 2 . 3 . ]" 1 420 1 35 ARG HA 1 35 ARG QG 3.700 . 3.700 2.398 2.064 3.346 . 0 0 "[ . 1 . 2 . 3 . ]" 1 421 1 35 ARG HA 1 38 GLU QB 4.200 . 4.200 2.941 2.619 3.354 . 0 0 "[ . 1 . 2 . 3 . ]" 1 422 1 35 ARG QB 1 36 GLU H 4.200 . 4.200 2.494 2.031 3.283 . 0 0 "[ . 1 . 2 . 3 . ]" 1 423 1 35 ARG QD 1 35 ARG QG 2.500 . 2.500 2.047 1.981 2.091 . 0 0 "[ . 1 . 2 . 3 . ]" 1 424 1 35 ARG O 1 39 LYS H 2.300 . 2.300 2.325 2.304 2.363 0.063 22 0 "[ . 1 . 2 . 3 . ]" 1 425 1 35 ARG O 1 39 LYS N 3.300 . 3.300 3.254 3.206 3.313 0.013 22 0 "[ . 1 . 2 . 3 . ]" 1 426 1 36 GLU H 1 36 GLU QB 3.400 . 3.400 2.166 2.047 2.576 . 0 0 "[ . 1 . 2 . 3 . ]" 1 427 1 36 GLU HA 1 36 GLU QG 3.400 . 3.400 2.367 2.118 2.973 . 0 0 "[ . 1 . 2 . 3 . ]" 1 428 1 36 GLU HA 1 37 ALA H 5.000 . 5.000 3.504 3.469 3.544 . 0 0 "[ . 1 . 2 . 3 . ]" 1 429 1 36 GLU QB 1 37 ALA H 3.400 . 3.400 2.804 2.623 2.945 . 0 0 "[ . 1 . 2 . 3 . ]" 1 430 1 36 GLU O 1 40 LYS H 2.300 . 2.300 2.256 1.948 2.323 0.023 6 0 "[ . 1 . 2 . 3 . ]" 1 431 1 36 GLU O 1 40 LYS N 3.300 . 3.300 3.158 2.913 3.296 . 0 0 "[ . 1 . 2 . 3 . ]" 1 432 1 37 ALA H 1 37 ALA MB 3.300 . 3.300 2.172 2.044 2.265 . 0 0 "[ . 1 . 2 . 3 . ]" 1 433 1 37 ALA H 1 38 GLU H 2.900 . 2.900 2.625 2.439 2.928 0.028 16 0 "[ . 1 . 2 . 3 . ]" 1 434 1 37 ALA H 1 38 GLU QB 5.900 . 5.900 4.463 4.211 4.688 . 0 0 "[ . 1 . 2 . 3 . ]" 1 435 1 37 ALA HA 1 40 LYS H 3.300 . 3.300 3.331 3.238 3.368 0.068 21 0 "[ . 1 . 2 . 3 . ]" 1 436 1 37 ALA HA 1 40 LYS QB 3.400 . 3.400 2.572 2.459 2.803 . 0 0 "[ . 1 . 2 . 3 . ]" 1 437 1 37 ALA MB 1 41 ILE MD 4.600 . 4.600 2.097 1.855 2.483 . 0 0 "[ . 1 . 2 . 3 . ]" 1 438 1 37 ALA MB 1 63 PHE QE 5.000 . 5.000 3.149 2.630 3.434 . 0 0 "[ . 1 . 2 . 3 . ]" 1 439 1 37 ALA MB 1 63 PHE HZ 3.300 . 3.300 2.462 2.127 2.632 . 0 0 "[ . 1 . 2 . 3 . ]" 1 440 1 38 GLU H 1 39 LYS H 2.900 . 2.900 2.711 2.389 2.936 0.036 32 0 "[ . 1 . 2 . 3 . ]" 1 441 1 38 GLU H 1 63 PHE HZ 5.000 . 5.000 4.075 2.721 4.796 . 0 0 "[ . 1 . 2 . 3 . ]" 1 442 1 38 GLU HA 1 38 GLU QB 2.600 . 2.600 2.429 2.362 2.509 . 0 0 "[ . 1 . 2 . 3 . ]" 1 443 1 38 GLU HA 1 38 GLU HG2 3.300 . 3.300 2.569 2.124 2.964 . 0 0 "[ . 1 . 2 . 3 . ]" 1 444 1 38 GLU HA 1 38 GLU HG3 3.300 . 3.300 2.817 2.261 3.301 0.001 19 0 "[ . 1 . 2 . 3 . ]" 1 445 1 38 GLU HA 1 41 ILE H 3.300 . 3.300 3.339 3.306 3.378 0.078 22 0 "[ . 1 . 2 . 3 . ]" 1 446 1 38 GLU HA 1 41 ILE HB 3.300 . 3.300 2.606 2.402 2.750 . 0 0 "[ . 1 . 2 . 3 . ]" 1 447 1 38 GLU HA 1 41 ILE MD 4.300 . 4.300 2.635 2.060 3.410 . 0 0 "[ . 1 . 2 . 3 . ]" 1 448 1 38 GLU HA 1 41 ILE MG 5.000 . 5.000 4.064 3.852 4.163 . 0 0 "[ . 1 . 2 . 3 . ]" 1 449 1 38 GLU HA 1 63 PHE HZ 5.000 . 5.000 3.781 2.548 4.388 . 0 0 "[ . 1 . 2 . 3 . ]" 1 450 1 38 GLU HA 1 66 PHE QE 2.900 . 2.900 2.411 1.987 2.943 0.043 16 0 "[ . 1 . 2 . 3 . ]" 1 451 1 38 GLU QG 1 39 LYS H 5.900 . 5.900 4.217 4.066 4.353 . 0 0 "[ . 1 . 2 . 3 . ]" 1 452 1 38 GLU QG 1 63 PHE QE 4.200 . 4.200 1.871 1.801 2.042 . 0 0 "[ . 1 . 2 . 3 . ]" 1 453 1 38 GLU HG2 1 63 PHE QE 5.400 . 5.400 2.181 1.925 3.537 . 0 0 "[ . 1 . 2 . 3 . ]" 1 454 1 38 GLU HG2 1 66 PHE QE 7.100 . 7.100 2.948 2.642 3.298 . 0 0 "[ . 1 . 2 . 3 . ]" 1 455 1 38 GLU HG2 1 66 PHE HZ 5.000 . 5.000 3.288 2.890 3.878 . 0 0 "[ . 1 . 2 . 3 . ]" 1 456 1 38 GLU HG3 1 63 PHE QE 5.400 . 5.400 2.141 1.855 2.793 . 0 0 "[ . 1 . 2 . 3 . ]" 1 457 1 38 GLU HG3 1 66 PHE QE 7.100 . 7.100 3.952 2.694 4.506 . 0 0 "[ . 1 . 2 . 3 . ]" 1 458 1 38 GLU HG3 1 66 PHE HZ 5.000 . 5.000 4.525 3.382 5.017 0.017 28 0 "[ . 1 . 2 . 3 . ]" 1 459 1 38 GLU O 1 42 LYS H 2.300 . 2.300 1.935 1.783 2.212 0.017 27 0 "[ . 1 . 2 . 3 . ]" 1 460 1 38 GLU O 1 42 LYS N 3.300 . 3.300 2.604 2.481 2.879 . 0 0 "[ . 1 . 2 . 3 . ]" 1 461 1 39 LYS H 1 39 LYS QB 3.400 . 3.400 2.243 2.199 2.256 . 0 0 "[ . 1 . 2 . 3 . ]" 1 462 1 39 LYS H 1 39 LYS HG2 5.000 . 5.000 4.441 4.399 4.469 . 0 0 "[ . 1 . 2 . 3 . ]" 1 463 1 39 LYS H 1 39 LYS QG 5.000 . 5.000 4.027 3.990 4.051 . 0 0 "[ . 1 . 2 . 3 . ]" 1 464 1 39 LYS H 1 39 LYS HG3 5.000 . 5.000 4.611 4.570 4.635 . 0 0 "[ . 1 . 2 . 3 . ]" 1 465 1 39 LYS H 1 40 LYS H 2.900 . 2.900 2.658 2.457 2.822 . 0 0 "[ . 1 . 2 . 3 . ]" 1 466 1 39 LYS H 1 41 ILE H 5.000 . 5.000 3.989 3.782 4.275 . 0 0 "[ . 1 . 2 . 3 . ]" 1 467 1 39 LYS HA 1 39 LYS QB 2.600 . 2.600 2.337 2.293 2.382 . 0 0 "[ . 1 . 2 . 3 . ]" 1 468 1 39 LYS HA 1 39 LYS QD 4.200 . 4.200 3.525 3.275 3.725 . 0 0 "[ . 1 . 2 . 3 . ]" 1 469 1 39 LYS HA 1 39 LYS HG2 3.300 . 3.300 2.491 2.359 2.621 . 0 0 "[ . 1 . 2 . 3 . ]" 1 470 1 39 LYS HA 1 39 LYS QG 3.300 . 3.300 2.447 2.325 2.568 . 0 0 "[ . 1 . 2 . 3 . ]" 1 471 1 39 LYS HA 1 42 LYS H 5.000 . 5.000 3.460 3.152 3.696 . 0 0 "[ . 1 . 2 . 3 . ]" 1 472 1 39 LYS HA 1 42 LYS QB 3.400 . 3.400 2.456 2.164 2.968 . 0 0 "[ . 1 . 2 . 3 . ]" 1 473 1 39 LYS QB 1 40 LYS H 3.400 . 3.400 2.519 2.237 2.803 . 0 0 "[ . 1 . 2 . 3 . ]" 1 474 1 39 LYS QD 1 40 LYS H 3.400 . 3.400 2.967 2.495 3.128 . 0 0 "[ . 1 . 2 . 3 . ]" 1 475 1 39 LYS QD 1 40 LYS HA 3.400 . 3.400 2.685 2.495 2.907 . 0 0 "[ . 1 . 2 . 3 . ]" 1 476 1 39 LYS QE 1 39 LYS QG 3.500 . 3.500 2.126 1.951 2.449 . 0 0 "[ . 1 . 2 . 3 . ]" 1 477 1 39 LYS QG 1 40 LYS H 5.900 . 5.900 4.045 3.822 4.183 . 0 0 "[ . 1 . 2 . 3 . ]" 1 478 1 40 LYS H 1 40 LYS QG 3.400 . 3.400 2.470 1.967 2.934 . 0 0 "[ . 1 . 2 . 3 . ]" 1 479 1 40 LYS H 1 41 ILE H 2.900 . 2.900 2.579 2.442 2.723 . 0 0 "[ . 1 . 2 . 3 . ]" 1 480 1 40 LYS HA 1 40 LYS QB 2.600 . 2.600 2.387 2.156 2.475 . 0 0 "[ . 1 . 2 . 3 . ]" 1 481 1 40 LYS HA 1 40 LYS QG 3.700 . 3.700 2.502 2.187 3.257 . 0 0 "[ . 1 . 2 . 3 . ]" 1 482 1 41 ILE H 1 41 ILE HB 2.900 . 2.900 2.558 2.422 2.649 . 0 0 "[ . 1 . 2 . 3 . ]" 1 483 1 41 ILE H 1 41 ILE MD 4.300 . 4.300 3.285 2.912 3.608 . 0 0 "[ . 1 . 2 . 3 . ]" 1 484 1 41 ILE H 1 41 ILE QG 3.400 . 3.400 2.220 1.959 2.525 . 0 0 "[ . 1 . 2 . 3 . ]" 1 485 1 41 ILE H 1 42 LYS H 2.900 . 2.900 2.416 2.222 2.612 . 0 0 "[ . 1 . 2 . 3 . ]" 1 486 1 41 ILE H 1 43 GLU H 5.000 . 5.000 4.268 3.934 4.640 . 0 0 "[ . 1 . 2 . 3 . ]" 1 487 1 41 ILE HA 1 41 ILE HG12 3.300 . 3.300 2.795 2.550 3.017 . 0 0 "[ . 1 . 2 . 3 . ]" 1 488 1 41 ILE HA 1 41 ILE HG13 3.300 . 3.300 2.813 2.602 3.041 . 0 0 "[ . 1 . 2 . 3 . ]" 1 489 1 41 ILE HA 1 41 ILE MG 3.300 . 3.300 2.299 2.214 2.403 . 0 0 "[ . 1 . 2 . 3 . ]" 1 490 1 41 ILE HA 1 44 LEU QB 5.900 . 5.900 3.530 2.739 5.289 . 0 0 "[ . 1 . 2 . 3 . ]" 1 491 1 41 ILE HB 1 42 LYS H 5.000 . 5.000 3.156 2.927 3.452 . 0 0 "[ . 1 . 2 . 3 . ]" 1 492 1 41 ILE HB 1 43 GLU H 5.000 . 5.000 5.007 4.906 5.056 0.056 23 0 "[ . 1 . 2 . 3 . ]" 1 493 1 41 ILE MD 1 63 PHE HZ 5.000 . 5.000 2.051 1.788 2.491 0.012 28 0 "[ . 1 . 2 . 3 . ]" 1 494 1 41 ILE MG 1 42 LYS H 5.000 . 5.000 3.889 3.614 4.092 . 0 0 "[ . 1 . 2 . 3 . ]" 1 495 1 42 LYS H 1 42 LYS QB 3.400 . 3.400 2.144 2.034 2.315 . 0 0 "[ . 1 . 2 . 3 . ]" 1 496 1 42 LYS H 1 42 LYS QG 4.200 . 4.200 3.383 2.694 3.884 . 0 0 "[ . 1 . 2 . 3 . ]" 1 497 1 42 LYS H 1 43 GLU H 2.900 . 2.900 2.708 2.537 2.908 0.008 13 0 "[ . 1 . 2 . 3 . ]" 1 498 1 42 LYS H 1 44 LEU H 5.000 . 5.000 4.349 3.998 4.680 . 0 0 "[ . 1 . 2 . 3 . ]" 1 499 1 42 LYS HA 1 42 LYS QB 2.600 . 2.600 2.475 2.272 2.527 . 0 0 "[ . 1 . 2 . 3 . ]" 1 500 1 42 LYS HA 1 42 LYS QG 3.700 . 3.700 2.219 2.040 2.583 . 0 0 "[ . 1 . 2 . 3 . ]" 1 501 1 42 LYS QG 1 43 GLU H 5.900 . 5.900 4.529 3.645 4.830 . 0 0 "[ . 1 . 2 . 3 . ]" 1 502 1 43 GLU H 1 43 GLU HA 2.900 . 2.900 2.930 2.903 2.940 0.040 10 0 "[ . 1 . 2 . 3 . ]" 1 503 1 43 GLU H 1 43 GLU QB 3.400 . 3.400 2.676 2.306 2.861 . 0 0 "[ . 1 . 2 . 3 . ]" 1 504 1 43 GLU H 1 43 GLU HG2 5.000 . 5.000 4.100 3.694 4.475 . 0 0 "[ . 1 . 2 . 3 . ]" 1 505 1 43 GLU H 1 43 GLU QG 4.100 . 4.100 2.880 2.502 3.525 . 0 0 "[ . 1 . 2 . 3 . ]" 1 506 1 43 GLU H 1 43 GLU HG3 5.000 . 5.000 2.949 2.535 3.713 . 0 0 "[ . 1 . 2 . 3 . ]" 1 507 1 43 GLU H 1 44 LEU H 2.900 . 2.900 2.116 1.973 2.363 . 0 0 "[ . 1 . 2 . 3 . ]" 1 508 1 43 GLU H 1 44 LEU MD2 6.000 . 6.000 4.685 3.734 4.884 . 0 0 "[ . 1 . 2 . 3 . ]" 1 509 1 43 GLU HA 1 43 GLU QB 2.600 . 2.600 2.343 2.304 2.457 . 0 0 "[ . 1 . 2 . 3 . ]" 1 510 1 43 GLU HA 1 43 GLU HG2 3.300 . 3.300 2.747 2.192 3.142 . 0 0 "[ . 1 . 2 . 3 . ]" 1 511 1 43 GLU HA 1 43 GLU QG 2.800 . 2.800 2.493 2.162 2.597 . 0 0 "[ . 1 . 2 . 3 . ]" 1 512 1 43 GLU HA 1 43 GLU HG3 3.300 . 3.300 2.976 2.562 3.306 0.006 12 0 "[ . 1 . 2 . 3 . ]" 1 513 1 43 GLU QB 1 44 LEU H 3.400 . 3.400 2.365 2.054 2.870 . 0 0 "[ . 1 . 2 . 3 . ]" 1 514 1 44 LEU H 1 44 LEU MD2 4.300 . 4.300 3.051 2.348 3.487 . 0 0 "[ . 1 . 2 . 3 . ]" 1 515 1 44 LEU H 1 44 LEU HG 5.000 . 5.000 4.248 2.307 4.528 . 0 0 "[ . 1 . 2 . 3 . ]" 1 516 1 44 LEU H 1 45 PHE H 5.000 . 5.000 4.438 2.351 4.585 . 0 0 "[ . 1 . 2 . 3 . ]" 1 517 1 44 LEU HA 1 45 PHE H 2.900 . 2.900 2.230 2.135 3.011 0.111 23 0 "[ . 1 . 2 . 3 . ]" 1 518 1 44 LEU QB 1 45 PHE H 4.100 . 4.100 3.434 2.093 3.668 . 0 0 "[ . 1 . 2 . 3 . ]" 1 519 1 44 LEU QB 1 46 PHE QE 5.000 . 5.000 2.979 2.310 4.385 . 0 0 "[ . 1 . 2 . 3 . ]" 1 520 1 44 LEU QB 1 46 PHE HZ 5.000 . 5.000 3.647 2.764 4.536 . 0 0 "[ . 1 . 2 . 3 . ]" 1 521 1 44 LEU HB2 1 45 PHE H 5.000 . 5.000 4.193 2.106 4.573 . 0 0 "[ . 1 . 2 . 3 . ]" 1 522 1 44 LEU HB3 1 45 PHE H 5.000 . 5.000 3.780 3.364 4.503 . 0 0 "[ . 1 . 2 . 3 . ]" 1 523 1 44 LEU QD 1 46 PHE QE 5.000 . 5.000 3.049 1.926 3.553 . 0 0 "[ . 1 . 2 . 3 . ]" 1 524 1 44 LEU MD1 1 45 PHE H 4.300 . 4.300 2.683 1.963 3.652 . 0 0 "[ . 1 . 2 . 3 . ]" 1 525 1 44 LEU MD2 1 45 PHE H 5.000 . 5.000 3.670 2.928 4.250 . 0 0 "[ . 1 . 2 . 3 . ]" 1 526 1 45 PHE H 1 45 PHE HB2 2.900 . 2.900 2.610 2.318 2.929 0.029 25 0 "[ . 1 . 2 . 3 . ]" 1 527 1 45 PHE H 1 45 PHE HB3 2.900 . 2.900 2.631 2.481 2.976 0.076 23 0 "[ . 1 . 2 . 3 . ]" 1 528 1 45 PHE H 1 46 PHE H 5.000 . 5.000 3.877 3.450 4.262 . 0 0 "[ . 1 . 2 . 3 . ]" 1 529 1 45 PHE HA 1 45 PHE QD 3.300 . 3.300 2.699 2.051 3.130 . 0 0 "[ . 1 . 2 . 3 . ]" 1 530 1 45 PHE HA 1 46 PHE H 2.900 . 2.900 2.360 2.153 2.568 . 0 0 "[ . 1 . 2 . 3 . ]" 1 531 1 45 PHE HZ 1 73 ASP HB2 3.300 . 3.300 3.231 2.759 3.309 0.009 25 0 "[ . 1 . 2 . 3 . ]" 1 532 1 45 PHE HZ 1 73 ASP HB3 3.300 . 3.300 2.465 1.976 3.306 0.006 14 0 "[ . 1 . 2 . 3 . ]" 1 533 1 46 PHE H 1 46 PHE QB 3.700 . 3.700 2.295 2.195 2.491 . 0 0 "[ . 1 . 2 . 3 . ]" 1 534 1 46 PHE H 1 46 PHE QD 3.300 . 3.300 3.015 2.631 3.386 0.086 13 0 "[ . 1 . 2 . 3 . ]" 1 535 1 46 PHE HA 1 47 PRO QD 3.200 . 3.200 1.928 1.789 2.009 0.011 31 0 "[ . 1 . 2 . 3 . ]" 1 536 1 46 PHE QB 1 48 VAL H 5.900 . 5.900 3.053 2.679 3.829 . 0 0 "[ . 1 . 2 . 3 . ]" 1 537 1 46 PHE QB 1 49 ILE MD 5.200 . 5.200 1.722 1.647 1.862 0.153 15 0 "[ . 1 . 2 . 3 . ]" 1 538 1 46 PHE QB 1 49 ILE QG 5.000 . 5.000 3.345 3.069 3.670 . 0 0 "[ . 1 . 2 . 3 . ]" 1 539 1 46 PHE HB2 1 49 ILE MD 6.000 . 6.000 1.974 1.809 2.293 . 0 0 "[ . 1 . 2 . 3 . ]" 1 540 1 46 PHE HB2 1 49 ILE HG12 6.800 . 6.800 4.258 3.742 4.691 . 0 0 "[ . 1 . 2 . 3 . ]" 1 541 1 46 PHE HB2 1 49 ILE HG13 6.800 . 6.800 4.311 4.070 4.640 . 0 0 "[ . 1 . 2 . 3 . ]" 1 542 1 46 PHE HB3 1 49 ILE MD 6.000 . 6.000 1.930 1.820 2.367 . 0 0 "[ . 1 . 2 . 3 . ]" 1 543 1 46 PHE HB3 1 49 ILE HG12 6.800 . 6.800 3.969 3.476 4.661 . 0 0 "[ . 1 . 2 . 3 . ]" 1 544 1 46 PHE HB3 1 49 ILE HG13 6.800 . 6.800 4.591 4.154 5.255 . 0 0 "[ . 1 . 2 . 3 . ]" 1 545 1 46 PHE QD 1 49 ILE MD 8.200 . 8.200 2.945 2.373 3.337 . 0 0 "[ . 1 . 2 . 3 . ]" 1 546 1 47 PRO HA 1 74 SER HA 3.300 . 3.300 2.444 1.955 2.927 . 0 0 "[ . 1 . 2 . 3 . ]" 1 547 1 47 PRO HA 1 75 VAL H 5.000 . 5.000 4.066 3.919 4.371 . 0 0 "[ . 1 . 2 . 3 . ]" 1 548 1 47 PRO QB 1 48 VAL H 5.000 . 5.000 3.210 2.401 3.538 . 0 0 "[ . 1 . 2 . 3 . ]" 1 549 1 47 PRO QB 1 48 VAL MG2 4.100 . 4.100 2.423 2.173 2.561 . 0 0 "[ . 1 . 2 . 3 . ]" 1 550 1 47 PRO QB 1 117 PHE QE 5.900 . 5.900 2.849 1.828 3.388 . 0 0 "[ . 1 . 2 . 3 . ]" 1 551 1 47 PRO QB 1 117 PHE HZ 5.000 . 5.000 4.269 3.492 4.377 . 0 0 "[ . 1 . 2 . 3 . ]" 1 552 1 47 PRO HB2 1 48 VAL MG2 5.000 . 5.000 2.447 2.188 2.590 . 0 0 "[ . 1 . 2 . 3 . ]" 1 553 1 47 PRO HB3 1 48 VAL MG2 5.000 . 5.000 3.890 3.636 4.027 . 0 0 "[ . 1 . 2 . 3 . ]" 1 554 1 47 PRO QD 1 48 VAL H 4.200 . 4.200 2.324 1.880 2.640 . 0 0 "[ . 1 . 2 . 3 . ]" 1 555 1 47 PRO QD 1 48 VAL HA 5.900 . 5.900 5.022 4.626 5.257 . 0 0 "[ . 1 . 2 . 3 . ]" 1 556 1 47 PRO QD 1 117 PHE QE 5.900 . 5.900 3.709 2.477 4.172 . 0 0 "[ . 1 . 2 . 3 . ]" 1 557 1 47 PRO QG 1 48 VAL H 5.400 . 5.400 2.680 1.993 3.481 . 0 0 "[ . 1 . 2 . 3 . ]" 1 558 1 47 PRO QG 1 117 PHE QE 4.100 . 4.100 1.943 1.743 2.420 0.057 6 0 "[ . 1 . 2 . 3 . ]" 1 559 1 47 PRO QG 1 117 PHE HZ 5.900 . 5.900 2.916 2.666 3.400 . 0 0 "[ . 1 . 2 . 3 . ]" 1 560 1 47 PRO HG2 1 117 PHE QE 5.000 . 5.000 2.101 1.750 2.723 0.050 6 0 "[ . 1 . 2 . 3 . ]" 1 561 1 47 PRO HG3 1 117 PHE QE 5.000 . 5.000 2.545 1.988 3.443 . 0 0 "[ . 1 . 2 . 3 . ]" 1 562 1 47 PRO O 1 75 VAL H 2.300 . 2.300 2.131 1.755 2.343 0.045 20 0 "[ . 1 . 2 . 3 . ]" 1 563 1 47 PRO O 1 75 VAL N 3.300 . 3.300 2.604 2.520 2.789 . 0 0 "[ . 1 . 2 . 3 . ]" 1 564 1 48 VAL H 1 48 VAL HB 3.300 . 3.300 2.895 2.658 3.081 . 0 0 "[ . 1 . 2 . 3 . ]" 1 565 1 48 VAL H 1 48 VAL MG2 3.300 . 3.300 2.645 2.468 2.750 . 0 0 "[ . 1 . 2 . 3 . ]" 1 566 1 48 VAL H 1 49 ILE H 5.000 . 5.000 4.253 4.091 4.391 . 0 0 "[ . 1 . 2 . 3 . ]" 1 567 1 48 VAL H 1 49 ILE QG 5.900 . 5.900 4.323 3.988 4.706 . 0 0 "[ . 1 . 2 . 3 . ]" 1 568 1 48 VAL H 1 75 VAL H 5.000 . 5.000 4.258 3.995 4.439 . 0 0 "[ . 1 . 2 . 3 . ]" 1 569 1 48 VAL H 1 117 PHE QE 5.000 . 5.000 4.323 2.598 4.771 . 0 0 "[ . 1 . 2 . 3 . ]" 1 570 1 48 VAL HA 1 49 ILE H 2.900 . 2.900 2.153 2.129 2.194 . 0 0 "[ . 1 . 2 . 3 . ]" 1 571 1 48 VAL HA 1 75 VAL H 3.300 . 3.300 2.296 2.029 2.489 . 0 0 "[ . 1 . 2 . 3 . ]" 1 572 1 48 VAL HA 1 75 VAL HB 3.300 . 3.300 2.340 1.888 2.758 . 0 0 "[ . 1 . 2 . 3 . ]" 1 573 1 48 VAL HA 1 75 VAL MG2 4.300 . 4.300 3.328 2.432 3.544 . 0 0 "[ . 1 . 2 . 3 . ]" 1 574 1 48 VAL MG1 1 49 ILE H 4.300 . 4.300 2.465 2.060 2.882 . 0 0 "[ . 1 . 2 . 3 . ]" 1 575 1 48 VAL MG1 1 75 VAL H 5.000 . 5.000 3.870 3.583 4.088 . 0 0 "[ . 1 . 2 . 3 . ]" 1 576 1 48 VAL MG1 1 75 VAL HB 4.300 . 4.300 2.053 1.869 2.317 . 0 0 "[ . 1 . 2 . 3 . ]" 1 577 1 48 VAL MG1 1 113 ILE MD 7.100 . 7.100 2.164 1.755 2.864 0.045 16 0 "[ . 1 . 2 . 3 . ]" 1 578 1 48 VAL MG2 1 49 ILE H 5.000 . 5.000 4.142 4.046 4.188 . 0 0 "[ . 1 . 2 . 3 . ]" 1 579 1 48 VAL MG2 1 50 VAL MG2 7.100 . 7.100 4.808 4.440 4.967 . 0 0 "[ . 1 . 2 . 3 . ]" 1 580 1 48 VAL MG2 1 75 VAL H 5.000 . 5.000 3.702 3.238 3.920 . 0 0 "[ . 1 . 2 . 3 . ]" 1 581 1 48 VAL MG2 1 75 VAL HB 3.500 . 3.500 2.666 2.545 2.858 . 0 0 "[ . 1 . 2 . 3 . ]" 1 582 1 48 VAL MG2 1 75 VAL MG2 4.600 . 4.600 2.495 1.683 2.738 0.117 20 0 "[ . 1 . 2 . 3 . ]" 1 583 1 48 VAL MG2 1 113 ILE MG 7.100 . 7.100 3.482 3.056 4.099 . 0 0 "[ . 1 . 2 . 3 . ]" 1 584 1 48 VAL MG2 1 116 ALA MB 4.600 . 4.600 2.510 1.896 2.938 . 0 0 "[ . 1 . 2 . 3 . ]" 1 585 1 48 VAL MG2 1 117 PHE QD 5.000 . 5.000 2.903 2.409 3.202 . 0 0 "[ . 1 . 2 . 3 . ]" 1 586 1 48 VAL MG2 1 117 PHE QE 3.300 . 3.300 2.464 2.078 2.686 . 0 0 "[ . 1 . 2 . 3 . ]" 1 587 1 48 VAL MG2 1 117 PHE HZ 5.000 . 5.000 2.736 2.376 3.062 . 0 0 "[ . 1 . 2 . 3 . ]" 1 588 1 49 ILE H 1 49 ILE HB 3.300 . 3.300 2.811 2.669 3.087 . 0 0 "[ . 1 . 2 . 3 . ]" 1 589 1 49 ILE H 1 49 ILE QG 4.200 . 4.200 2.418 1.967 2.609 . 0 0 "[ . 1 . 2 . 3 . ]" 1 590 1 49 ILE H 1 75 VAL H 3.300 . 3.300 3.239 2.800 3.366 0.066 26 0 "[ . 1 . 2 . 3 . ]" 1 591 1 49 ILE H 1 75 VAL HB 5.000 . 5.000 3.404 2.689 3.849 . 0 0 "[ . 1 . 2 . 3 . ]" 1 592 1 49 ILE H 1 75 VAL O 2.300 . 2.300 1.752 1.667 2.360 0.133 9 0 "[ . 1 . 2 . 3 . ]" 1 593 1 49 ILE H 1 76 VAL HA 3.300 . 3.300 3.179 2.928 3.320 0.020 14 0 "[ . 1 . 2 . 3 . ]" 1 594 1 49 ILE H 1 77 ILE H 5.000 . 5.000 3.769 3.357 4.338 . 0 0 "[ . 1 . 2 . 3 . ]" 1 595 1 49 ILE HA 1 49 ILE MD 4.300 . 4.300 2.239 1.987 2.570 . 0 0 "[ . 1 . 2 . 3 . ]" 1 596 1 49 ILE HA 1 50 VAL H 2.900 . 2.900 2.287 2.152 2.440 . 0 0 "[ . 1 . 2 . 3 . ]" 1 597 1 49 ILE HB 1 50 VAL H 5.000 . 5.000 3.741 3.312 4.310 . 0 0 "[ . 1 . 2 . 3 . ]" 1 598 1 49 ILE HB 1 76 VAL HA 3.300 . 3.300 2.835 2.633 3.296 . 0 0 "[ . 1 . 2 . 3 . ]" 1 599 1 49 ILE MD 1 74 SER QB 6.900 . 6.900 3.920 3.141 4.326 . 0 0 "[ . 1 . 2 . 3 . ]" 1 600 1 49 ILE QG 1 50 VAL H 5.900 . 5.900 4.608 4.425 4.930 . 0 0 "[ . 1 . 2 . 3 . ]" 1 601 1 49 ILE QG 1 76 VAL MG2 5.200 . 5.200 3.433 2.840 3.778 . 0 0 "[ . 1 . 2 . 3 . ]" 1 602 1 49 ILE N 1 75 VAL O 3.300 . 3.300 2.681 2.585 3.311 0.011 20 0 "[ . 1 . 2 . 3 . ]" 1 603 1 49 ILE O 1 77 ILE H 2.300 . 2.300 2.232 1.894 2.337 0.037 15 0 "[ . 1 . 2 . 3 . ]" 1 604 1 49 ILE O 1 77 ILE N 3.300 . 3.300 3.143 2.763 3.305 0.005 38 0 "[ . 1 . 2 . 3 . ]" 1 605 1 50 VAL H 1 50 VAL HB 3.300 . 3.300 2.807 2.515 2.967 . 0 0 "[ . 1 . 2 . 3 . ]" 1 606 1 50 VAL HA 1 51 LEU H 2.900 . 2.900 2.187 2.123 2.623 . 0 0 "[ . 1 . 2 . 3 . ]" 1 607 1 50 VAL HA 1 77 ILE H 5.000 . 5.000 3.160 2.332 3.796 . 0 0 "[ . 1 . 2 . 3 . ]" 1 608 1 50 VAL HA 1 79 ILE MD 6.000 . 6.000 4.661 3.900 4.924 . 0 0 "[ . 1 . 2 . 3 . ]" 1 609 1 50 VAL HA 1 79 ILE QG 5.900 . 5.900 4.026 3.406 4.501 . 0 0 "[ . 1 . 2 . 3 . ]" 1 610 1 50 VAL MG2 1 51 LEU H 5.000 . 5.000 4.139 3.877 4.208 . 0 0 "[ . 1 . 2 . 3 . ]" 1 611 1 50 VAL MG2 1 77 ILE HB 3.500 . 3.500 2.324 1.880 2.744 . 0 0 "[ . 1 . 2 . 3 . ]" 1 612 1 51 LEU H 1 51 LEU QB 3.700 . 3.700 2.320 2.228 2.821 . 0 0 "[ . 1 . 2 . 3 . ]" 1 613 1 51 LEU H 1 52 ASP H 5.000 . 5.000 4.380 3.133 4.607 . 0 0 "[ . 1 . 2 . 3 . ]" 1 614 1 51 LEU H 1 77 ILE H 5.000 . 5.000 4.399 3.668 5.018 0.018 17 0 "[ . 1 . 2 . 3 . ]" 1 615 1 51 LEU H 1 78 VAL HA 3.300 . 3.300 2.064 1.871 2.402 . 0 0 "[ . 1 . 2 . 3 . ]" 1 616 1 51 LEU H 1 78 VAL QG 5.900 . 5.900 2.745 2.147 3.463 . 0 0 "[ . 1 . 2 . 3 . ]" 1 617 1 51 LEU H 1 79 ILE H 5.000 . 5.000 3.300 2.188 3.920 . 0 0 "[ . 1 . 2 . 3 . ]" 1 618 1 51 LEU HA 1 51 LEU MD1 4.300 . 4.300 2.160 1.895 2.576 . 0 0 "[ . 1 . 2 . 3 . ]" 1 619 1 51 LEU HA 1 52 ASP H 2.900 . 2.900 2.301 2.104 2.552 . 0 0 "[ . 1 . 2 . 3 . ]" 1 620 1 51 LEU QB 1 52 ASP H 5.900 . 5.900 3.545 2.969 4.040 . 0 0 "[ . 1 . 2 . 3 . ]" 1 621 1 51 LEU QB 1 52 ASP HA 5.900 . 5.900 4.546 4.135 4.924 . 0 0 "[ . 1 . 2 . 3 . ]" 1 622 1 51 LEU QB 1 78 VAL QG 5.000 . 5.000 1.821 1.681 2.042 0.119 32 0 "[ . 1 . 2 . 3 . ]" 1 623 1 51 LEU QB 1 79 ILE H 5.900 . 5.900 3.623 1.873 4.811 . 0 0 "[ . 1 . 2 . 3 . ]" 1 624 1 51 LEU HB2 1 78 VAL MG1 6.100 . 6.100 3.222 2.552 3.991 . 0 0 "[ . 1 . 2 . 3 . ]" 1 625 1 51 LEU HB2 1 78 VAL MG2 6.100 . 6.100 2.843 2.366 3.358 . 0 0 "[ . 1 . 2 . 3 . ]" 1 626 1 51 LEU HB3 1 78 VAL MG1 6.100 . 6.100 1.976 1.851 2.422 . 0 0 "[ . 1 . 2 . 3 . ]" 1 627 1 51 LEU HB3 1 78 VAL MG2 6.100 . 6.100 2.487 1.926 3.382 . 0 0 "[ . 1 . 2 . 3 . ]" 1 628 1 51 LEU MD1 1 52 ASP H 4.300 . 4.300 2.450 1.917 3.376 . 0 0 "[ . 1 . 2 . 3 . ]" 1 629 1 51 LEU MD1 1 52 ASP HA 6.000 . 6.000 4.612 4.192 4.895 . 0 0 "[ . 1 . 2 . 3 . ]" 1 630 1 51 LEU MD2 1 53 VAL HB 6.000 . 6.000 4.518 3.158 4.907 . 0 0 "[ . 1 . 2 . 3 . ]" 1 631 1 51 LEU HG 1 53 VAL QG 5.100 . 5.100 2.625 1.797 3.774 0.003 27 0 "[ . 1 . 2 . 3 . ]" 1 632 1 52 ASP H 1 52 ASP HB2 3.300 . 3.300 2.725 2.098 3.187 . 0 0 "[ . 1 . 2 . 3 . ]" 1 633 1 52 ASP H 1 52 ASP HB3 3.300 . 3.300 3.017 2.463 3.328 0.028 18 0 "[ . 1 . 2 . 3 . ]" 1 634 1 52 ASP H 1 78 VAL HA 5.000 . 5.000 5.029 4.893 5.080 0.080 30 0 "[ . 1 . 2 . 3 . ]" 1 635 1 52 ASP HA 1 79 ILE H 5.000 . 5.000 3.710 3.065 4.601 . 0 0 "[ . 1 . 2 . 3 . ]" 1 636 1 52 ASP HA 1 80 THR MG 4.300 . 4.300 3.188 1.864 3.602 . 0 0 "[ . 1 . 2 . 3 . ]" 1 637 1 53 VAL HA 1 56 PRO QG 3.400 . 3.400 2.735 2.190 3.132 . 0 0 "[ . 1 . 2 . 3 . ]" 1 638 1 53 VAL HB 1 87 THR MG 6.000 . 6.000 4.810 4.395 4.946 . 0 0 "[ . 1 . 2 . 3 . ]" 1 639 1 53 VAL QG 1 87 THR MG 6.100 . 6.100 3.183 2.478 3.630 . 0 0 "[ . 1 . 2 . 3 . ]" 1 640 1 53 VAL MG1 1 80 THR HB 4.300 . 4.300 3.213 1.758 3.643 0.042 18 0 "[ . 1 . 2 . 3 . ]" 1 641 1 53 VAL MG2 1 80 THR HB 4.300 . 4.300 2.697 1.779 3.589 0.021 10 0 "[ . 1 . 2 . 3 . ]" 1 642 1 54 TRP HA 1 55 MET H 5.000 . 5.000 3.535 3.492 3.552 . 0 0 "[ . 1 . 2 . 3 . ]" 1 643 1 54 TRP HA 1 56 PRO QD 5.900 . 5.900 3.962 3.721 4.316 . 0 0 "[ . 1 . 2 . 3 . ]" 1 644 1 54 TRP QB 1 55 MET H 5.900 . 5.900 1.939 1.782 2.043 0.018 35 0 "[ . 1 . 2 . 3 . ]" 1 645 1 54 TRP HE1 1 55 MET H 5.000 . 5.000 4.890 4.278 5.044 0.044 38 0 "[ . 1 . 2 . 3 . ]" 1 646 1 54 TRP HE3 1 55 MET H 5.000 . 5.000 4.776 2.249 5.029 0.029 14 0 "[ . 1 . 2 . 3 . ]" 1 647 1 56 PRO QB 1 57 ASP H 4.000 . 4.000 1.915 1.825 2.127 . 0 0 "[ . 1 . 2 . 3 . ]" 1 648 1 56 PRO HB2 1 57 ASP H 5.000 . 5.000 1.934 1.846 2.145 . 0 0 "[ . 1 . 2 . 3 . ]" 1 649 1 56 PRO HB3 1 57 ASP H 5.000 . 5.000 3.111 2.629 3.491 . 0 0 "[ . 1 . 2 . 3 . ]" 1 650 1 56 PRO QD 1 57 ASP H 5.300 . 5.300 4.362 2.220 4.779 . 0 0 "[ . 1 . 2 . 3 . ]" 1 651 1 56 PRO QG 1 57 ASP H 4.200 . 4.200 3.601 2.035 3.843 . 0 0 "[ . 1 . 2 . 3 . ]" 1 652 1 57 ASP H 1 58 GLY H 2.900 . 2.900 2.349 1.931 2.897 . 0 0 "[ . 1 . 2 . 3 . ]" 1 653 1 57 ASP H 1 58 GLY QA 5.900 . 5.900 3.786 3.572 4.110 . 0 0 "[ . 1 . 2 . 3 . ]" 1 654 1 57 ASP HA 1 57 ASP QB 2.600 . 2.600 2.338 2.183 2.491 . 0 0 "[ . 1 . 2 . 3 . ]" 1 655 1 59 ASP HA 1 60 GLY H 2.900 . 2.900 2.468 2.142 2.971 0.071 10 0 "[ . 1 . 2 . 3 . ]" 1 656 1 59 ASP HA 1 60 GLY QA 5.900 . 5.900 4.033 3.886 4.278 . 0 0 "[ . 1 . 2 . 3 . ]" 1 657 1 60 GLY H 1 61 VAL H 5.000 . 5.000 2.883 1.859 4.353 . 0 0 "[ . 1 . 2 . 3 . ]" 1 658 1 60 GLY QA 1 61 VAL H 3.200 . 3.200 2.712 2.129 2.939 . 0 0 "[ . 1 . 2 . 3 . ]" 1 659 1 60 GLY QA 1 63 PHE H 5.900 . 5.900 3.164 2.887 3.398 . 0 0 "[ . 1 . 2 . 3 . ]" 1 660 1 60 GLY QA 1 63 PHE QB 4.100 . 4.100 2.381 2.008 2.872 . 0 0 "[ . 1 . 2 . 3 . ]" 1 661 1 60 GLY HA3 1 63 PHE HB2 5.000 . 5.000 3.869 2.560 4.884 . 0 0 "[ . 1 . 2 . 3 . ]" 1 662 1 60 GLY HA3 1 63 PHE HB3 5.000 . 5.000 3.722 2.957 4.175 . 0 0 "[ . 1 . 2 . 3 . ]" 1 663 1 61 VAL H 1 61 VAL HB 2.900 . 2.900 2.609 2.466 2.729 . 0 0 "[ . 1 . 2 . 3 . ]" 1 664 1 61 VAL H 1 61 VAL MG1 4.300 . 4.300 3.736 3.725 3.763 . 0 0 "[ . 1 . 2 . 3 . ]" 1 665 1 61 VAL H 1 61 VAL MG2 2.900 . 2.900 1.982 1.892 2.155 . 0 0 "[ . 1 . 2 . 3 . ]" 1 666 1 61 VAL H 1 62 ASN H 2.900 . 2.900 2.735 2.358 2.914 0.014 34 0 "[ . 1 . 2 . 3 . ]" 1 667 1 61 VAL H 1 63 PHE H 5.000 . 5.000 3.849 3.493 4.097 . 0 0 "[ . 1 . 2 . 3 . ]" 1 668 1 61 VAL HA 1 64 ILE H 5.000 . 5.000 4.034 3.359 4.619 . 0 0 "[ . 1 . 2 . 3 . ]" 1 669 1 61 VAL HA 1 64 ILE MD 3.500 . 3.500 2.309 1.852 2.936 . 0 0 "[ . 1 . 2 . 3 . ]" 1 670 1 61 VAL HA 1 64 ILE QG 5.900 . 5.900 3.772 1.904 4.991 . 0 0 "[ . 1 . 2 . 3 . ]" 1 671 1 61 VAL HB 1 62 ASN H 3.300 . 3.300 2.515 2.043 2.799 . 0 0 "[ . 1 . 2 . 3 . ]" 1 672 1 61 VAL MG1 1 62 ASN H 4.300 . 4.300 3.488 3.005 3.578 . 0 0 "[ . 1 . 2 . 3 . ]" 1 673 1 61 VAL MG1 1 63 PHE H 6.000 . 6.000 4.695 4.480 4.936 . 0 0 "[ . 1 . 2 . 3 . ]" 1 674 1 61 VAL MG1 1 90 LYS QB 5.200 . 5.200 3.652 3.487 3.761 . 0 0 "[ . 1 . 2 . 3 . ]" 1 675 1 61 VAL MG1 1 90 LYS QD 4.400 . 4.400 2.802 2.231 3.028 . 0 0 "[ . 1 . 2 . 3 . ]" 1 676 1 61 VAL MG1 1 91 ALA HA 4.300 . 4.300 3.116 2.506 3.334 . 0 0 "[ . 1 . 2 . 3 . ]" 1 677 1 61 VAL MG2 1 62 ASN H 6.000 . 6.000 3.707 3.497 3.927 . 0 0 "[ . 1 . 2 . 3 . ]" 1 678 1 61 VAL MG2 1 90 LYS QG 3.400 . 3.400 1.948 1.841 2.215 . 0 0 "[ . 1 . 2 . 3 . ]" 1 679 1 62 ASN H 1 62 ASN HB2 3.300 . 3.300 2.617 2.069 3.500 0.200 23 0 "[ . 1 . 2 . 3 . ]" 1 680 1 62 ASN H 1 62 ASN QB 2.900 . 2.900 2.230 2.045 2.555 . 0 0 "[ . 1 . 2 . 3 . ]" 1 681 1 62 ASN H 1 62 ASN HB3 3.300 . 3.300 2.958 2.066 3.303 0.003 16 0 "[ . 1 . 2 . 3 . ]" 1 682 1 62 ASN H 1 62 ASN QD 4.200 . 4.200 3.241 2.092 3.815 . 0 0 "[ . 1 . 2 . 3 . ]" 1 683 1 62 ASN H 1 63 PHE H 3.300 . 3.300 2.550 2.328 2.703 . 0 0 "[ . 1 . 2 . 3 . ]" 1 684 1 62 ASN HB2 1 63 PHE H 5.000 . 5.000 3.933 3.381 4.490 . 0 0 "[ . 1 . 2 . 3 . ]" 1 685 1 62 ASN HB3 1 63 PHE H 5.000 . 5.000 3.848 3.201 4.369 . 0 0 "[ . 1 . 2 . 3 . ]" 1 686 1 63 PHE H 1 63 PHE HA 2.900 . 2.900 2.851 2.748 2.908 0.008 27 0 "[ . 1 . 2 . 3 . ]" 1 687 1 63 PHE H 1 63 PHE QB 3.300 . 3.300 2.283 2.244 2.339 . 0 0 "[ . 1 . 2 . 3 . ]" 1 688 1 63 PHE HA 1 66 PHE H 5.000 . 5.000 3.117 2.991 3.355 . 0 0 "[ . 1 . 2 . 3 . ]" 1 689 1 63 PHE HA 1 66 PHE HB2 5.000 . 5.000 3.363 2.862 4.217 . 0 0 "[ . 1 . 2 . 3 . ]" 1 690 1 63 PHE HA 1 66 PHE QB 4.100 . 4.100 2.760 2.525 3.119 . 0 0 "[ . 1 . 2 . 3 . ]" 1 691 1 63 PHE HA 1 66 PHE HB3 5.000 . 5.000 2.966 2.622 3.382 . 0 0 "[ . 1 . 2 . 3 . ]" 1 692 1 63 PHE QB 1 64 ILE H 4.200 . 4.200 2.660 2.435 2.862 . 0 0 "[ . 1 . 2 . 3 . ]" 1 693 1 63 PHE QD 1 67 ILE MD 3.300 . 3.300 2.560 2.248 2.748 . 0 0 "[ . 1 . 2 . 3 . ]" 1 694 1 63 PHE QE 1 67 ILE MD 3.300 . 3.300 2.508 2.242 2.685 . 0 0 "[ . 1 . 2 . 3 . ]" 1 695 1 63 PHE HZ 1 66 PHE QD 5.000 . 5.000 3.566 3.036 4.193 . 0 0 "[ . 1 . 2 . 3 . ]" 1 696 1 63 PHE O 1 67 ILE H 2.300 . 2.300 2.271 2.072 2.330 0.030 6 0 "[ . 1 . 2 . 3 . ]" 1 697 1 63 PHE O 1 67 ILE N 3.300 . 3.300 3.186 2.896 3.271 . 0 0 "[ . 1 . 2 . 3 . ]" 1 698 1 64 ILE H 1 64 ILE HB 3.300 . 3.300 2.706 2.471 3.325 0.025 12 0 "[ . 1 . 2 . 3 . ]" 1 699 1 64 ILE H 1 64 ILE MD 3.300 . 3.300 2.215 1.849 2.703 . 0 0 "[ . 1 . 2 . 3 . ]" 1 700 1 64 ILE H 1 64 ILE QG 3.400 . 3.400 2.205 1.789 2.643 0.011 12 0 "[ . 1 . 2 . 3 . ]" 1 701 1 64 ILE H 1 65 ASP H 2.900 . 2.900 2.842 2.785 2.926 0.026 37 0 "[ . 1 . 2 . 3 . ]" 1 702 1 64 ILE HA 1 67 ILE HB 3.300 . 3.300 3.211 2.723 3.335 0.035 10 0 "[ . 1 . 2 . 3 . ]" 1 703 1 64 ILE HA 1 67 ILE MD 4.300 . 4.300 2.276 1.895 3.594 . 0 0 "[ . 1 . 2 . 3 . ]" 1 704 1 64 ILE HB 1 65 ASP H 3.300 . 3.300 2.850 2.475 2.961 . 0 0 "[ . 1 . 2 . 3 . ]" 1 705 1 64 ILE MG 1 65 ASP H 6.000 . 6.000 3.712 3.329 4.163 . 0 0 "[ . 1 . 2 . 3 . ]" 1 706 1 64 ILE MG 1 94 LYS HA 6.000 . 6.000 4.622 3.949 4.903 . 0 0 "[ . 1 . 2 . 3 . ]" 1 707 1 64 ILE MG 1 94 LYS QB 4.400 . 4.400 2.539 1.882 3.143 . 0 0 "[ . 1 . 2 . 3 . ]" 1 708 1 64 ILE MG 1 95 GLY QA 6.900 . 6.900 2.713 1.836 3.724 . 0 0 "[ . 1 . 2 . 3 . ]" 1 709 1 65 ASP H 1 65 ASP HB2 3.300 . 3.300 2.305 2.085 2.611 . 0 0 "[ . 1 . 2 . 3 . ]" 1 710 1 65 ASP H 1 65 ASP QB 2.900 . 2.900 2.186 2.064 2.295 . 0 0 "[ . 1 . 2 . 3 . ]" 1 711 1 65 ASP H 1 65 ASP HB3 3.300 . 3.300 2.879 2.513 3.302 0.002 4 0 "[ . 1 . 2 . 3 . ]" 1 712 1 65 ASP H 1 66 PHE H 3.300 . 3.300 2.555 2.392 2.792 . 0 0 "[ . 1 . 2 . 3 . ]" 1 713 1 65 ASP HA 1 68 LYS H 3.300 . 3.300 3.329 3.301 3.357 0.057 29 0 "[ . 1 . 2 . 3 . ]" 1 714 1 65 ASP HA 1 68 LYS HB2 5.000 . 5.000 3.389 2.708 4.724 . 0 0 "[ . 1 . 2 . 3 . ]" 1 715 1 65 ASP HA 1 68 LYS QB 4.100 . 4.100 3.118 2.684 3.789 . 0 0 "[ . 1 . 2 . 3 . ]" 1 716 1 65 ASP HA 1 68 LYS HB3 5.000 . 5.000 4.449 3.675 4.976 . 0 0 "[ . 1 . 2 . 3 . ]" 1 717 1 65 ASP QB 1 66 PHE H 4.200 . 4.200 2.626 2.248 2.938 . 0 0 "[ . 1 . 2 . 3 . ]" 1 718 1 65 ASP O 1 69 GLU H 2.300 . 2.300 1.848 1.770 2.018 0.030 29 0 "[ . 1 . 2 . 3 . ]" 1 719 1 65 ASP O 1 69 GLU N 3.300 . 3.300 2.564 2.491 2.674 . 0 0 "[ . 1 . 2 . 3 . ]" 1 720 1 66 PHE H 1 66 PHE HB2 3.300 . 3.300 2.616 2.368 2.902 . 0 0 "[ . 1 . 2 . 3 . ]" 1 721 1 66 PHE H 1 66 PHE QB 2.900 . 2.900 2.227 2.123 2.266 . 0 0 "[ . 1 . 2 . 3 . ]" 1 722 1 66 PHE H 1 66 PHE HB3 3.300 . 3.300 2.439 2.182 2.662 . 0 0 "[ . 1 . 2 . 3 . ]" 1 723 1 66 PHE H 1 67 ILE H 2.900 . 2.900 2.728 2.563 2.905 0.005 22 0 "[ . 1 . 2 . 3 . ]" 1 724 1 66 PHE H 1 68 LYS H 5.000 . 5.000 4.280 4.033 4.594 . 0 0 "[ . 1 . 2 . 3 . ]" 1 725 1 66 PHE H 1 70 ASN QD 5.900 . 5.900 5.246 5.113 5.330 . 0 0 "[ . 1 . 2 . 3 . ]" 1 726 1 66 PHE HA 1 66 PHE HB2 2.900 . 2.900 2.411 2.295 2.510 . 0 0 "[ . 1 . 2 . 3 . ]" 1 727 1 66 PHE HA 1 66 PHE QB 2.600 . 2.600 2.320 2.223 2.394 . 0 0 "[ . 1 . 2 . 3 . ]" 1 728 1 66 PHE HA 1 66 PHE QD 3.300 . 3.300 3.073 2.637 3.211 . 0 0 "[ . 1 . 2 . 3 . ]" 1 729 1 66 PHE HA 1 69 GLU HB2 2.500 . 2.500 2.516 2.504 2.533 0.033 18 0 "[ . 1 . 2 . 3 . ]" 1 730 1 66 PHE HA 1 69 GLU HB3 2.500 . 2.500 2.388 2.191 2.508 0.008 30 0 "[ . 1 . 2 . 3 . ]" 1 731 1 66 PHE QB 1 67 ILE H 4.200 . 4.200 2.622 2.496 2.922 . 0 0 "[ . 1 . 2 . 3 . ]" 1 732 1 66 PHE QB 1 68 LYS H 5.900 . 5.900 4.867 4.647 5.214 . 0 0 "[ . 1 . 2 . 3 . ]" 1 733 1 66 PHE O 1 70 ASN H 2.300 . 2.300 2.202 2.047 2.312 0.012 2 0 "[ . 1 . 2 . 3 . ]" 1 734 1 66 PHE O 1 70 ASN N 3.300 . 3.300 3.098 2.965 3.243 . 0 0 "[ . 1 . 2 . 3 . ]" 1 735 1 67 ILE H 1 67 ILE HB 3.300 . 3.300 2.488 2.251 2.829 . 0 0 "[ . 1 . 2 . 3 . ]" 1 736 1 67 ILE H 1 67 ILE MD 3.300 . 3.300 2.019 1.892 2.485 . 0 0 "[ . 1 . 2 . 3 . ]" 1 737 1 67 ILE H 1 67 ILE QG 4.200 . 4.200 2.902 1.950 3.434 . 0 0 "[ . 1 . 2 . 3 . ]" 1 738 1 67 ILE H 1 68 LYS H 3.300 . 3.300 2.717 2.649 2.779 . 0 0 "[ . 1 . 2 . 3 . ]" 1 739 1 67 ILE H 1 70 ASN QD 5.900 . 5.900 4.736 4.567 4.896 . 0 0 "[ . 1 . 2 . 3 . ]" 1 740 1 67 ILE HA 1 70 ASN QB 5.900 . 5.900 4.739 4.322 5.231 . 0 0 "[ . 1 . 2 . 3 . ]" 1 741 1 67 ILE HA 1 71 SER H 5.000 . 5.000 4.438 4.289 4.614 . 0 0 "[ . 1 . 2 . 3 . ]" 1 742 1 67 ILE HB 1 68 LYS H 3.300 . 3.300 2.560 2.269 2.733 . 0 0 "[ . 1 . 2 . 3 . ]" 1 743 1 67 ILE QG 1 68 LYS H 5.900 . 5.900 4.293 3.442 4.487 . 0 0 "[ . 1 . 2 . 3 . ]" 1 744 1 67 ILE MG 1 68 LYS H 4.300 . 4.300 3.299 2.861 3.604 . 0 0 "[ . 1 . 2 . 3 . ]" 1 745 1 67 ILE MG 1 68 LYS HA 5.000 . 5.000 3.466 3.148 3.956 . 0 0 "[ . 1 . 2 . 3 . ]" 1 746 1 67 ILE MG 1 71 SER H 6.000 . 6.000 4.446 4.351 4.800 . 0 0 "[ . 1 . 2 . 3 . ]" 1 747 1 67 ILE MG 1 71 SER HB2 4.300 . 4.300 2.966 2.741 3.323 . 0 0 "[ . 1 . 2 . 3 . ]" 1 748 1 67 ILE MG 1 71 SER HB3 4.300 . 4.300 2.722 2.307 3.405 . 0 0 "[ . 1 . 2 . 3 . ]" 1 749 1 67 ILE O 1 71 SER H 2.300 . 2.300 2.313 2.303 2.325 0.025 2 0 "[ . 1 . 2 . 3 . ]" 1 750 1 67 ILE O 1 71 SER N 3.300 . 3.300 2.644 2.567 2.731 . 0 0 "[ . 1 . 2 . 3 . ]" 1 751 1 68 LYS H 1 68 LYS QB 3.400 . 3.400 2.482 2.366 2.643 . 0 0 "[ . 1 . 2 . 3 . ]" 1 752 1 68 LYS H 1 68 LYS QD 5.900 . 5.900 4.160 3.511 4.449 . 0 0 "[ . 1 . 2 . 3 . ]" 1 753 1 68 LYS H 1 68 LYS HG2 3.300 . 3.300 2.785 2.179 3.305 0.005 4 0 "[ . 1 . 2 . 3 . ]" 1 754 1 68 LYS H 1 68 LYS QG 2.800 . 2.800 2.356 1.893 2.611 . 0 0 "[ . 1 . 2 . 3 . ]" 1 755 1 68 LYS H 1 68 LYS HG3 3.300 . 3.300 2.750 1.905 3.307 0.007 14 0 "[ . 1 . 2 . 3 . ]" 1 756 1 68 LYS H 1 69 GLU H 3.300 . 3.300 2.425 2.308 2.509 . 0 0 "[ . 1 . 2 . 3 . ]" 1 757 1 68 LYS HA 1 68 LYS QD 4.200 . 4.200 3.379 2.514 3.840 . 0 0 "[ . 1 . 2 . 3 . ]" 1 758 1 68 LYS HA 1 68 LYS QG 3.700 . 3.700 2.733 2.322 3.412 . 0 0 "[ . 1 . 2 . 3 . ]" 1 759 1 68 LYS HA 1 71 SER QB 4.200 . 4.200 3.815 3.656 3.856 . 0 0 "[ . 1 . 2 . 3 . ]" 1 760 1 68 LYS HA 1 72 PRO HA 2.500 . 2.500 2.486 2.206 2.527 0.027 5 0 "[ . 1 . 2 . 3 . ]" 1 761 1 68 LYS HA 1 72 PRO QB 5.900 . 5.900 4.010 3.427 4.166 . 0 0 "[ . 1 . 2 . 3 . ]" 1 762 1 68 LYS QB 1 69 GLU H 5.900 . 5.900 3.202 2.887 3.757 . 0 0 "[ . 1 . 2 . 3 . ]" 1 763 1 68 LYS QG 1 69 GLU H 5.900 . 5.900 3.705 2.333 4.347 . 0 0 "[ . 1 . 2 . 3 . ]" 1 764 1 68 LYS QG 1 95 GLY QA 5.800 . 5.800 3.716 2.500 4.341 . 0 0 "[ . 1 . 2 . 3 . ]" 1 765 1 68 LYS HG2 1 95 GLY HA3 6.800 . 6.800 4.742 3.531 5.678 . 0 0 "[ . 1 . 2 . 3 . ]" 1 766 1 68 LYS HG3 1 95 GLY HA3 6.800 . 6.800 4.346 2.569 5.926 . 0 0 "[ . 1 . 2 . 3 . ]" 1 767 1 69 GLU H 1 69 GLU HB2 2.900 . 2.900 2.427 2.363 2.562 . 0 0 "[ . 1 . 2 . 3 . ]" 1 768 1 69 GLU H 1 69 GLU HB3 2.900 . 2.900 2.633 2.526 2.701 . 0 0 "[ . 1 . 2 . 3 . ]" 1 769 1 69 GLU H 1 70 ASN H 2.900 . 2.900 2.586 2.449 2.761 . 0 0 "[ . 1 . 2 . 3 . ]" 1 770 1 69 GLU HA 1 69 GLU QB 2.600 . 2.600 2.403 2.369 2.431 . 0 0 "[ . 1 . 2 . 3 . ]" 1 771 1 69 GLU HA 1 69 GLU HG2 3.300 . 3.300 2.902 2.296 3.300 0.000 37 0 "[ . 1 . 2 . 3 . ]" 1 772 1 69 GLU HA 1 69 GLU HG3 3.300 . 3.300 2.603 2.285 3.300 . 0 0 "[ . 1 . 2 . 3 . ]" 1 773 1 69 GLU HA 1 70 ASN H 5.000 . 5.000 3.524 3.461 3.555 . 0 0 "[ . 1 . 2 . 3 . ]" 1 774 1 69 GLU HA 1 70 ASN HD21 5.000 . 5.000 4.499 3.996 4.824 . 0 0 "[ . 1 . 2 . 3 . ]" 1 775 1 69 GLU HA 1 70 ASN HD22 5.000 . 5.000 5.011 4.872 5.052 0.052 35 0 "[ . 1 . 2 . 3 . ]" 1 776 1 69 GLU QB 1 70 ASN H 4.200 . 4.200 2.522 2.265 2.881 . 0 0 "[ . 1 . 2 . 3 . ]" 1 777 1 69 GLU QB 1 70 ASN QD 6.700 . 6.700 1.961 1.840 2.042 . 0 0 "[ . 1 . 2 . 3 . ]" 1 778 1 70 ASN H 1 70 ASN QB 3.700 . 3.700 2.902 2.681 3.246 . 0 0 "[ . 1 . 2 . 3 . ]" 1 779 1 70 ASN H 1 70 ASN HD21 3.300 . 3.300 2.148 1.874 2.782 . 0 0 "[ . 1 . 2 . 3 . ]" 1 780 1 70 ASN H 1 70 ASN QD 4.200 . 4.200 2.095 1.862 2.632 . 0 0 "[ . 1 . 2 . 3 . ]" 1 781 1 70 ASN H 1 70 ASN HD22 3.300 . 3.300 3.207 2.848 3.331 0.031 17 0 "[ . 1 . 2 . 3 . ]" 1 782 1 70 ASN H 1 71 SER H 2.900 . 2.900 2.250 1.993 2.439 . 0 0 "[ . 1 . 2 . 3 . ]" 1 783 1 70 ASN H 1 72 PRO QD 5.900 . 5.900 4.305 4.084 4.629 . 0 0 "[ . 1 . 2 . 3 . ]" 1 784 1 70 ASN HA 1 70 ASN QB 2.700 . 2.700 2.228 2.156 2.286 . 0 0 "[ . 1 . 2 . 3 . ]" 1 785 1 70 ASN HA 1 71 SER QB 5.900 . 5.900 4.744 4.534 4.852 . 0 0 "[ . 1 . 2 . 3 . ]" 1 786 1 70 ASN QB 1 71 SER H 5.000 . 5.000 3.741 3.566 3.929 . 0 0 "[ . 1 . 2 . 3 . ]" 1 787 1 70 ASN HB2 1 71 SER H 5.000 . 5.000 3.970 3.743 4.233 . 0 0 "[ . 1 . 2 . 3 . ]" 1 788 1 70 ASN HB3 1 71 SER H 5.000 . 5.000 4.579 4.485 4.674 . 0 0 "[ . 1 . 2 . 3 . ]" 1 789 1 71 SER H 1 71 SER QB 3.700 . 3.700 2.827 2.739 2.918 . 0 0 "[ . 1 . 2 . 3 . ]" 1 790 1 71 SER H 1 72 PRO HD2 5.000 . 5.000 3.982 3.899 4.172 . 0 0 "[ . 1 . 2 . 3 . ]" 1 791 1 71 SER H 1 72 PRO QD 4.100 . 4.100 2.432 2.323 2.615 . 0 0 "[ . 1 . 2 . 3 . ]" 1 792 1 71 SER H 1 72 PRO HD3 5.000 . 5.000 2.454 2.341 2.642 . 0 0 "[ . 1 . 2 . 3 . ]" 1 793 1 71 SER H 1 72 PRO QG 4.200 . 4.200 3.550 3.408 3.587 . 0 0 "[ . 1 . 2 . 3 . ]" 1 794 1 71 SER HA 1 72 PRO HD2 3.300 . 3.300 2.726 2.661 2.812 . 0 0 "[ . 1 . 2 . 3 . ]" 1 795 1 71 SER HA 1 72 PRO HD3 3.300 . 3.300 2.460 2.257 2.563 . 0 0 "[ . 1 . 2 . 3 . ]" 1 796 1 72 PRO HA 1 73 ASP H 3.300 . 3.300 3.408 3.362 3.423 0.123 24 0 "[ . 1 . 2 . 3 . ]" 1 797 1 72 PRO QD 1 73 ASP H 4.200 . 4.200 2.360 2.228 2.433 . 0 0 "[ . 1 . 2 . 3 . ]" 1 798 1 72 PRO QG 1 73 ASP H 4.200 . 4.200 3.807 3.772 3.822 . 0 0 "[ . 1 . 2 . 3 . ]" 1 799 1 72 PRO HG2 1 73 ASP H 5.000 . 5.000 4.093 4.022 4.117 . 0 0 "[ . 1 . 2 . 3 . ]" 1 800 1 72 PRO HG3 1 73 ASP H 5.000 . 5.000 4.529 4.518 4.562 . 0 0 "[ . 1 . 2 . 3 . ]" 1 801 1 73 ASP H 1 73 ASP HB2 3.300 . 3.300 2.622 2.223 2.903 . 0 0 "[ . 1 . 2 . 3 . ]" 1 802 1 73 ASP H 1 73 ASP QB 2.900 . 2.900 2.378 2.190 2.474 . 0 0 "[ . 1 . 2 . 3 . ]" 1 803 1 73 ASP H 1 73 ASP HB3 3.300 . 3.300 2.825 2.575 3.315 0.015 23 0 "[ . 1 . 2 . 3 . ]" 1 804 1 73 ASP H 1 74 SER H 2.900 . 2.900 2.667 2.142 2.902 0.002 20 0 "[ . 1 . 2 . 3 . ]" 1 805 1 73 ASP HA 1 73 ASP QB 2.600 . 2.600 2.445 2.377 2.528 . 0 0 "[ . 1 . 2 . 3 . ]" 1 806 1 73 ASP HA 1 74 SER H 3.300 . 3.300 2.980 2.788 3.364 0.064 31 0 "[ . 1 . 2 . 3 . ]" 1 807 1 74 SER H 1 74 SER HB2 3.300 . 3.300 3.000 2.670 3.330 0.030 18 0 "[ . 1 . 2 . 3 . ]" 1 808 1 74 SER H 1 74 SER HB3 3.300 . 3.300 2.639 2.467 3.352 0.052 2 0 "[ . 1 . 2 . 3 . ]" 1 809 1 74 SER H 1 75 VAL H 5.000 . 5.000 4.338 4.223 4.544 . 0 0 "[ . 1 . 2 . 3 . ]" 1 810 1 74 SER HA 1 74 SER QB 2.600 . 2.600 2.332 2.154 2.371 . 0 0 "[ . 1 . 2 . 3 . ]" 1 811 1 74 SER HA 1 75 VAL H 2.900 . 2.900 2.778 2.553 2.923 0.023 31 0 "[ . 1 . 2 . 3 . ]" 1 812 1 74 SER QB 1 75 VAL H 4.100 . 4.100 2.678 1.771 3.077 0.029 31 0 "[ . 1 . 2 . 3 . ]" 1 813 1 74 SER HB2 1 75 VAL H 5.000 . 5.000 3.294 1.790 3.624 0.010 2 0 "[ . 1 . 2 . 3 . ]" 1 814 1 74 SER HB3 1 75 VAL H 5.000 . 5.000 2.919 2.629 3.381 . 0 0 "[ . 1 . 2 . 3 . ]" 1 815 1 75 VAL H 1 75 VAL HB 3.300 . 3.300 2.901 2.657 3.045 . 0 0 "[ . 1 . 2 . 3 . ]" 1 816 1 75 VAL H 1 75 VAL MG2 4.300 . 4.300 2.906 2.159 3.107 . 0 0 "[ . 1 . 2 . 3 . ]" 1 817 1 75 VAL HA 1 76 VAL H 2.900 . 2.900 2.195 2.111 2.609 . 0 0 "[ . 1 . 2 . 3 . ]" 1 818 1 75 VAL HB 1 116 ALA MB 6.000 . 6.000 2.855 2.532 3.400 . 0 0 "[ . 1 . 2 . 3 . ]" 1 819 1 75 VAL MG1 1 76 VAL H 2.900 . 2.900 2.124 1.766 2.383 0.034 20 0 "[ . 1 . 2 . 3 . ]" 1 820 1 75 VAL MG1 1 77 ILE H 5.000 . 5.000 3.576 2.859 4.041 . 0 0 "[ . 1 . 2 . 3 . ]" 1 821 1 75 VAL MG1 1 97 TYR H 5.000 . 5.000 4.047 3.828 4.144 . 0 0 "[ . 1 . 2 . 3 . ]" 1 822 1 75 VAL MG1 1 97 TYR HB2 3.500 . 3.500 2.293 1.927 2.910 . 0 0 "[ . 1 . 2 . 3 . ]" 1 823 1 75 VAL MG1 1 97 TYR QB 3.400 . 3.400 2.208 1.905 2.638 . 0 0 "[ . 1 . 2 . 3 . ]" 1 824 1 75 VAL MG1 1 97 TYR HB3 3.500 . 3.500 2.967 2.665 3.040 . 0 0 "[ . 1 . 2 . 3 . ]" 1 825 1 75 VAL MG1 1 97 TYR QD 5.700 . 5.700 3.258 2.089 3.912 . 0 0 "[ . 1 . 2 . 3 . ]" 1 826 1 75 VAL MG1 1 116 ALA HA 4.300 . 4.300 3.173 2.616 3.382 . 0 0 "[ . 1 . 2 . 3 . ]" 1 827 1 75 VAL MG1 1 116 ALA MB 4.600 . 4.600 2.016 1.778 2.388 0.022 20 0 "[ . 1 . 2 . 3 . ]" 1 828 1 75 VAL MG2 1 116 ALA MB 5.400 . 5.400 2.247 1.871 2.812 . 0 0 "[ . 1 . 2 . 3 . ]" 1 829 1 75 VAL MG2 1 120 TYR QB 6.900 . 6.900 3.454 1.824 4.971 . 0 0 "[ . 1 . 2 . 3 . ]" 1 830 1 75 VAL MG2 1 120 TYR QD 8.200 . 8.200 4.021 2.030 6.162 . 0 0 "[ . 1 . 2 . 3 . ]" 1 831 1 76 VAL H 1 76 VAL HB 3.300 . 3.300 2.877 2.521 3.258 . 0 0 "[ . 1 . 2 . 3 . ]" 1 832 1 76 VAL H 1 76 VAL MG2 3.300 . 3.300 2.462 2.179 2.655 . 0 0 "[ . 1 . 2 . 3 . ]" 1 833 1 76 VAL H 1 96 ALA HA 5.000 . 5.000 3.573 3.060 4.380 . 0 0 "[ . 1 . 2 . 3 . ]" 1 834 1 76 VAL H 1 97 TYR H 5.000 . 5.000 3.748 3.108 4.252 . 0 0 "[ . 1 . 2 . 3 . ]" 1 835 1 76 VAL HA 1 77 ILE H 2.900 . 2.900 2.187 2.124 2.358 . 0 0 "[ . 1 . 2 . 3 . ]" 1 836 1 76 VAL HB 1 96 ALA H 5.000 . 5.000 4.408 3.868 4.596 . 0 0 "[ . 1 . 2 . 3 . ]" 1 837 1 76 VAL HB 1 96 ALA HA 2.500 . 2.500 1.875 1.779 1.980 0.021 31 0 "[ . 1 . 2 . 3 . ]" 1 838 1 76 VAL HB 1 96 ALA MB 4.300 . 4.300 2.324 1.907 3.422 . 0 0 "[ . 1 . 2 . 3 . ]" 1 839 1 76 VAL MG1 1 77 ILE H 5.000 . 5.000 3.136 2.685 3.714 . 0 0 "[ . 1 . 2 . 3 . ]" 1 840 1 76 VAL MG1 1 96 ALA HA 5.000 . 5.000 3.254 2.101 3.589 . 0 0 "[ . 1 . 2 . 3 . ]" 1 841 1 76 VAL MG2 1 96 ALA H 6.000 . 6.000 4.676 3.966 4.939 . 0 0 "[ . 1 . 2 . 3 . ]" 1 842 1 77 ILE H 1 77 ILE HB 3.300 . 3.300 2.616 2.519 2.800 . 0 0 "[ . 1 . 2 . 3 . ]" 1 843 1 77 ILE HA 1 77 ILE MD 3.300 . 3.300 2.152 1.954 2.465 . 0 0 "[ . 1 . 2 . 3 . ]" 1 844 1 77 ILE HA 1 100 LEU H 5.000 . 5.000 4.789 3.890 5.019 0.019 8 0 "[ . 1 . 2 . 3 . ]" 1 845 1 77 ILE HA 1 100 LEU QB 5.900 . 5.900 4.695 4.186 5.124 . 0 0 "[ . 1 . 2 . 3 . ]" 1 846 1 77 ILE MD 1 97 TYR QE 5.000 . 5.000 3.481 3.236 3.892 . 0 0 "[ . 1 . 2 . 3 . ]" 1 847 1 77 ILE MG 1 100 LEU H 5.000 . 5.000 3.006 2.167 3.886 . 0 0 "[ . 1 . 2 . 3 . ]" 1 848 1 77 ILE MG 1 100 LEU HB2 4.300 . 4.300 2.326 1.873 3.055 . 0 0 "[ . 1 . 2 . 3 . ]" 1 849 1 77 ILE MG 1 100 LEU HB3 4.300 . 4.300 3.271 2.196 3.666 . 0 0 "[ . 1 . 2 . 3 . ]" 1 850 1 77 ILE MG 1 100 LEU MD2 7.100 . 7.100 2.426 1.794 3.110 0.006 30 0 "[ . 1 . 2 . 3 . ]" 1 851 1 78 VAL HA 1 79 ILE H 2.900 . 2.900 2.217 2.127 2.414 . 0 0 "[ . 1 . 2 . 3 . ]" 1 852 1 78 VAL HB 1 79 ILE H 5.000 . 5.000 4.368 4.002 4.493 . 0 0 "[ . 1 . 2 . 3 . ]" 1 853 1 78 VAL HB 1 96 ALA MB 4.300 . 4.300 3.581 3.396 3.664 . 0 0 "[ . 1 . 2 . 3 . ]" 1 854 1 78 VAL HB 1 99 PHE HA 5.000 . 5.000 3.970 3.479 4.487 . 0 0 "[ . 1 . 2 . 3 . ]" 1 855 1 78 VAL HB 1 99 PHE QD 5.000 . 5.000 3.015 2.652 3.520 . 0 0 "[ . 1 . 2 . 3 . ]" 1 856 1 78 VAL QG 1 79 ILE H 4.900 . 4.900 3.105 2.387 3.530 . 0 0 "[ . 1 . 2 . 3 . ]" 1 857 1 78 VAL QG 1 96 ALA MB 6.100 . 6.100 2.761 2.370 3.123 . 0 0 "[ . 1 . 2 . 3 . ]" 1 858 1 78 VAL QG 1 99 PHE HA 7.600 . 7.600 4.264 3.902 4.592 . 0 0 "[ . 1 . 2 . 3 . ]" 1 859 1 78 VAL QG 1 99 PHE QE 4.900 . 4.900 1.929 1.818 2.231 . 0 0 "[ . 1 . 2 . 3 . ]" 1 860 1 79 ILE HA 1 79 ILE HG12 3.300 . 3.300 2.812 2.491 2.912 . 0 0 "[ . 1 . 2 . 3 . ]" 1 861 1 79 ILE HA 1 79 ILE HG13 3.300 . 3.300 3.268 2.954 3.332 0.032 38 0 "[ . 1 . 2 . 3 . ]" 1 862 1 79 ILE HA 1 80 THR H 3.300 . 3.300 2.691 2.182 3.432 0.132 10 0 "[ . 1 . 2 . 3 . ]" 1 863 1 79 ILE HB 1 79 ILE QG 2.600 . 2.600 2.382 2.329 2.418 . 0 0 "[ . 1 . 2 . 3 . ]" 1 864 1 79 ILE MD 1 109 PHE QB 5.200 . 5.200 2.747 1.918 3.425 . 0 0 "[ . 1 . 2 . 3 . ]" 1 865 1 79 ILE MD 1 109 PHE QE 6.500 . 6.500 3.170 2.214 4.540 . 0 0 "[ . 1 . 2 . 3 . ]" 1 866 1 79 ILE QG 1 80 THR H 5.900 . 5.900 4.068 3.714 4.317 . 0 0 "[ . 1 . 2 . 3 . ]" 1 867 1 79 ILE MG 1 80 THR H 2.900 . 2.900 1.963 1.707 2.279 0.093 15 0 "[ . 1 . 2 . 3 . ]" 1 868 1 79 ILE MG 1 99 PHE QB 6.900 . 6.900 4.660 4.083 4.938 . 0 0 "[ . 1 . 2 . 3 . ]" 1 869 1 79 ILE MG 1 100 LEU QB 4.400 . 4.400 1.965 1.719 2.808 0.081 15 0 "[ . 1 . 2 . 3 . ]" 1 870 1 79 ILE MG 1 100 LEU HG 4.300 . 4.300 3.239 2.581 3.485 . 0 0 "[ . 1 . 2 . 3 . ]" 1 871 1 80 THR HA 1 80 THR MG 3.300 . 3.300 2.297 1.997 2.678 . 0 0 "[ . 1 . 2 . 3 . ]" 1 872 1 85 VAL HA 1 88 ALA H 5.000 . 5.000 3.486 3.084 4.238 . 0 0 "[ . 1 . 2 . 3 . ]" 1 873 1 85 VAL HA 1 88 ALA MB 4.300 . 4.300 3.211 2.736 3.444 . 0 0 "[ . 1 . 2 . 3 . ]" 1 874 1 86 ASP H 1 86 ASP QB 3.700 . 3.700 2.546 2.256 2.975 . 0 0 "[ . 1 . 2 . 3 . ]" 1 875 1 86 ASP HA 1 86 ASP QB 2.600 . 2.600 2.300 2.184 2.378 . 0 0 "[ . 1 . 2 . 3 . ]" 1 876 1 86 ASP HA 1 89 VAL HB 5.000 . 5.000 5.012 4.914 5.053 0.053 32 0 "[ . 1 . 2 . 3 . ]" 1 877 1 86 ASP HA 1 89 VAL MG1 4.300 . 4.300 3.362 3.262 3.471 . 0 0 "[ . 1 . 2 . 3 . ]" 1 878 1 86 ASP HA 1 89 VAL MG2 4.300 . 4.300 2.152 2.016 2.282 . 0 0 "[ . 1 . 2 . 3 . ]" 1 879 1 87 THR H 1 87 THR HB 3.300 . 3.300 2.380 2.202 2.582 . 0 0 "[ . 1 . 2 . 3 . ]" 1 880 1 87 THR H 1 88 ALA H 3.300 . 3.300 2.412 2.149 2.799 . 0 0 "[ . 1 . 2 . 3 . ]" 1 881 1 87 THR HA 1 87 THR HB 2.900 . 2.900 2.621 2.539 2.658 . 0 0 "[ . 1 . 2 . 3 . ]" 1 882 1 87 THR HA 1 90 LYS H 3.300 . 3.300 3.329 3.283 3.353 0.053 2 0 "[ . 1 . 2 . 3 . ]" 1 883 1 87 THR HA 1 90 LYS HB2 3.300 . 3.300 3.265 3.009 3.316 0.016 4 0 "[ . 1 . 2 . 3 . ]" 1 884 1 87 THR HA 1 90 LYS QB 2.900 . 2.900 2.279 2.020 2.609 . 0 0 "[ . 1 . 2 . 3 . ]" 1 885 1 87 THR HA 1 90 LYS HB3 3.300 . 3.300 2.333 2.040 2.814 . 0 0 "[ . 1 . 2 . 3 . ]" 1 886 1 87 THR HA 1 90 LYS QD 4.200 . 4.200 3.306 2.946 3.663 . 0 0 "[ . 1 . 2 . 3 . ]" 1 887 1 87 THR HB 1 88 ALA H 5.000 . 5.000 3.726 3.616 3.847 . 0 0 "[ . 1 . 2 . 3 . ]" 1 888 1 87 THR MG 1 88 ALA H 5.000 . 5.000 2.105 1.949 2.334 . 0 0 "[ . 1 . 2 . 3 . ]" 1 889 1 87 THR MG 1 88 ALA MB 7.100 . 7.100 3.063 2.962 3.199 . 0 0 "[ . 1 . 2 . 3 . ]" 1 890 1 87 THR MG 1 99 PHE QE 3.300 . 3.300 2.392 1.869 2.842 . 0 0 "[ . 1 . 2 . 3 . ]" 1 891 1 88 ALA H 1 88 ALA MB 3.300 . 3.300 2.202 2.141 2.230 . 0 0 "[ . 1 . 2 . 3 . ]" 1 892 1 88 ALA H 1 89 VAL H 3.300 . 3.300 2.825 2.749 2.898 . 0 0 "[ . 1 . 2 . 3 . ]" 1 893 1 88 ALA H 1 90 LYS QB 5.900 . 5.900 4.581 4.379 4.803 . 0 0 "[ . 1 . 2 . 3 . ]" 1 894 1 88 ALA HA 1 91 ALA MB 4.300 . 4.300 3.045 2.639 3.444 . 0 0 "[ . 1 . 2 . 3 . ]" 1 895 1 88 ALA MB 1 89 VAL H 2.900 . 2.900 2.151 2.050 2.265 . 0 0 "[ . 1 . 2 . 3 . ]" 1 896 1 88 ALA MB 1 99 PHE QB 6.900 . 6.900 1.846 1.754 2.153 0.046 33 0 "[ . 1 . 2 . 3 . ]" 1 897 1 88 ALA MB 1 99 PHE QD 3.300 . 3.300 2.382 2.183 2.559 . 0 0 "[ . 1 . 2 . 3 . ]" 1 898 1 88 ALA MB 1 99 PHE QE 5.000 . 5.000 3.321 2.978 3.696 . 0 0 "[ . 1 . 2 . 3 . ]" 1 899 1 89 VAL H 1 89 VAL MG1 3.300 . 3.300 2.088 1.952 2.290 . 0 0 "[ . 1 . 2 . 3 . ]" 1 900 1 89 VAL H 1 89 VAL MG2 3.500 . 3.500 2.237 2.128 2.460 . 0 0 "[ . 1 . 2 . 3 . ]" 1 901 1 89 VAL H 1 90 LYS H 2.900 . 2.900 2.671 2.572 2.751 . 0 0 "[ . 1 . 2 . 3 . ]" 1 902 1 89 VAL HA 1 92 ILE H 5.000 . 5.000 3.447 3.272 3.683 . 0 0 "[ . 1 . 2 . 3 . ]" 1 903 1 89 VAL HA 1 92 ILE HB 5.000 . 5.000 4.863 4.731 5.021 0.021 27 0 "[ . 1 . 2 . 3 . ]" 1 904 1 89 VAL HA 1 92 ILE QG 5.900 . 5.900 1.902 1.729 2.066 0.071 16 0 "[ . 1 . 2 . 3 . ]" 1 905 1 89 VAL HA 1 92 ILE MG 4.300 . 4.300 3.433 3.318 3.538 . 0 0 "[ . 1 . 2 . 3 . ]" 1 906 1 89 VAL HB 1 90 LYS H 5.000 . 5.000 4.006 3.840 4.111 . 0 0 "[ . 1 . 2 . 3 . ]" 1 907 1 89 VAL MG1 1 90 LYS H 6.000 . 6.000 3.935 3.831 4.029 . 0 0 "[ . 1 . 2 . 3 . ]" 1 908 1 89 VAL MG1 1 92 ILE MD 4.600 . 4.600 2.738 2.550 2.926 . 0 0 "[ . 1 . 2 . 3 . ]" 1 909 1 89 VAL MG1 1 92 ILE QG 6.900 . 6.900 3.566 3.391 3.782 . 0 0 "[ . 1 . 2 . 3 . ]" 1 910 1 89 VAL MG2 1 90 LYS QB 5.900 . 5.900 2.898 2.760 3.089 . 0 0 "[ . 1 . 2 . 3 . ]" 1 911 1 89 VAL MG2 1 92 ILE MD 7.100 . 7.100 4.562 4.449 4.681 . 0 0 "[ . 1 . 2 . 3 . ]" 1 912 1 89 VAL MG2 1 92 ILE QG 6.900 . 6.900 4.507 4.369 4.701 . 0 0 "[ . 1 . 2 . 3 . ]" 1 913 1 90 LYS H 1 91 ALA H 3.300 . 3.300 2.594 2.322 3.140 . 0 0 "[ . 1 . 2 . 3 . ]" 1 914 1 90 LYS HA 1 90 LYS QB 2.600 . 2.600 2.360 2.306 2.424 . 0 0 "[ . 1 . 2 . 3 . ]" 1 915 1 90 LYS HA 1 90 LYS HG2 3.300 . 3.300 3.203 2.844 3.333 0.033 34 0 "[ . 1 . 2 . 3 . ]" 1 916 1 90 LYS HA 1 90 LYS HG3 3.300 . 3.300 2.512 2.410 2.696 . 0 0 "[ . 1 . 2 . 3 . ]" 1 917 1 91 ALA HA 1 94 LYS H 5.000 . 5.000 3.964 3.484 5.022 0.022 10 0 "[ . 1 . 2 . 3 . ]" 1 918 1 91 ALA HA 1 94 LYS QB 4.200 . 4.200 3.230 2.712 3.835 . 0 0 "[ . 1 . 2 . 3 . ]" 1 919 1 91 ALA MB 1 92 ILE H 4.300 . 4.300 2.685 2.494 2.968 . 0 0 "[ . 1 . 2 . 3 . ]" 1 920 1 91 ALA MB 1 96 ALA MB 5.400 . 5.400 3.097 2.373 3.491 . 0 0 "[ . 1 . 2 . 3 . ]" 1 921 1 91 ALA MB 1 99 PHE QE 5.000 . 5.000 2.431 1.906 2.748 . 0 0 "[ . 1 . 2 . 3 . ]" 1 922 1 92 ILE H 1 92 ILE HG12 5.000 . 5.000 2.398 2.106 2.620 . 0 0 "[ . 1 . 2 . 3 . ]" 1 923 1 92 ILE H 1 92 ILE QG 4.100 . 4.100 2.366 2.086 2.580 . 0 0 "[ . 1 . 2 . 3 . ]" 1 924 1 92 ILE H 1 92 ILE HG13 5.000 . 5.000 3.620 3.382 3.861 . 0 0 "[ . 1 . 2 . 3 . ]" 1 925 1 92 ILE H 1 92 ILE MG 4.300 . 4.300 1.984 1.848 2.210 . 0 0 "[ . 1 . 2 . 3 . ]" 1 926 1 92 ILE H 1 93 LYS H 5.000 . 5.000 2.896 2.317 4.629 . 0 0 "[ . 1 . 2 . 3 . ]" 1 927 1 92 ILE H 1 94 LYS H 5.000 . 5.000 4.146 3.732 4.716 . 0 0 "[ . 1 . 2 . 3 . ]" 1 928 1 92 ILE HA 1 96 ALA H 3.300 . 3.300 2.632 1.967 3.190 . 0 0 "[ . 1 . 2 . 3 . ]" 1 929 1 92 ILE HA 1 96 ALA MB 3.500 . 3.500 1.847 1.795 2.025 0.005 6 0 "[ . 1 . 2 . 3 . ]" 1 930 1 92 ILE HB 1 93 LYS H 5.000 . 5.000 3.779 2.406 4.315 . 0 0 "[ . 1 . 2 . 3 . ]" 1 931 1 92 ILE HB 1 97 TYR HA 5.000 . 5.000 4.991 4.715 5.052 0.052 27 0 "[ . 1 . 2 . 3 . ]" 1 932 1 92 ILE MD 1 98 GLU HA 3.300 . 3.300 2.419 1.961 2.629 . 0 0 "[ . 1 . 2 . 3 . ]" 1 933 1 92 ILE MD 1 98 GLU HB2 5.000 . 5.000 3.147 2.574 3.926 . 0 0 "[ . 1 . 2 . 3 . ]" 1 934 1 92 ILE MD 1 98 GLU QB 5.200 . 5.200 2.994 2.538 3.502 . 0 0 "[ . 1 . 2 . 3 . ]" 1 935 1 92 ILE MD 1 98 GLU HB3 5.000 . 5.000 3.915 3.571 4.047 . 0 0 "[ . 1 . 2 . 3 . ]" 1 936 1 92 ILE MD 1 99 PHE HB2 6.000 . 6.000 3.400 3.156 3.865 . 0 0 "[ . 1 . 2 . 3 . ]" 1 937 1 92 ILE MD 1 99 PHE HB3 6.000 . 6.000 4.770 4.343 4.906 . 0 0 "[ . 1 . 2 . 3 . ]" 1 938 1 92 ILE MG 1 93 LYS H 5.000 . 5.000 3.802 3.630 4.043 . 0 0 "[ . 1 . 2 . 3 . ]" 1 939 1 92 ILE MG 1 96 ALA MB 5.400 . 5.400 2.588 1.917 2.900 . 0 0 "[ . 1 . 2 . 3 . ]" 1 940 1 92 ILE MG 1 98 GLU QB 5.900 . 5.900 3.489 3.315 3.721 . 0 0 "[ . 1 . 2 . 3 . ]" 1 941 1 93 LYS H 1 94 LYS H 3.300 . 3.300 2.681 2.316 3.356 0.056 5 0 "[ . 1 . 2 . 3 . ]" 1 942 1 93 LYS HA 1 95 GLY H 5.000 . 5.000 4.386 3.675 5.015 0.015 31 0 "[ . 1 . 2 . 3 . ]" 1 943 1 94 LYS H 1 94 LYS QB 3.400 . 3.400 2.302 2.037 2.699 . 0 0 "[ . 1 . 2 . 3 . ]" 1 944 1 94 LYS H 1 95 GLY H 3.300 . 3.300 2.577 1.902 2.968 . 0 0 "[ . 1 . 2 . 3 . ]" 1 945 1 94 LYS HA 1 94 LYS QB 2.600 . 2.600 2.427 2.345 2.527 . 0 0 "[ . 1 . 2 . 3 . ]" 1 946 1 94 LYS QB 1 95 GLY H 5.900 . 5.900 2.667 2.010 3.734 . 0 0 "[ . 1 . 2 . 3 . ]" 1 947 1 95 GLY H 1 96 ALA H 2.900 . 2.900 1.918 1.781 2.247 0.019 4 0 "[ . 1 . 2 . 3 . ]" 1 948 1 95 GLY H 1 96 ALA MB 5.000 . 5.000 3.433 3.225 4.074 . 0 0 "[ . 1 . 2 . 3 . ]" 1 949 1 96 ALA H 1 96 ALA MB 3.300 . 3.300 2.173 2.040 2.272 . 0 0 "[ . 1 . 2 . 3 . ]" 1 950 1 96 ALA H 1 98 GLU H 5.000 . 5.000 4.658 4.177 5.065 0.065 15 0 "[ . 1 . 2 . 3 . ]" 1 951 1 96 ALA HA 1 97 TYR H 2.900 . 2.900 2.660 2.530 2.815 . 0 0 "[ . 1 . 2 . 3 . ]" 1 952 1 96 ALA MB 1 97 TYR H 2.900 . 2.900 2.178 2.019 2.355 . 0 0 "[ . 1 . 2 . 3 . ]" 1 953 1 96 ALA MB 1 98 GLU H 3.300 . 3.300 2.291 2.124 2.599 . 0 0 "[ . 1 . 2 . 3 . ]" 1 954 1 97 TYR H 1 97 TYR HB2 3.300 . 3.300 2.878 2.616 3.278 . 0 0 "[ . 1 . 2 . 3 . ]" 1 955 1 97 TYR H 1 97 TYR HB3 3.300 . 3.300 2.559 2.276 2.825 . 0 0 "[ . 1 . 2 . 3 . ]" 1 956 1 97 TYR H 1 98 GLU H 3.300 . 3.300 2.473 1.994 2.818 . 0 0 "[ . 1 . 2 . 3 . ]" 1 957 1 97 TYR HA 1 97 TYR QB 2.700 . 2.700 2.359 2.215 2.456 . 0 0 "[ . 1 . 2 . 3 . ]" 1 958 1 97 TYR HA 1 97 TYR QD 3.300 . 3.300 2.601 2.268 3.146 . 0 0 "[ . 1 . 2 . 3 . ]" 1 959 1 97 TYR HA 1 98 GLU H 3.300 . 3.300 3.076 2.900 3.411 0.111 25 0 "[ . 1 . 2 . 3 . ]" 1 960 1 97 TYR QB 1 98 GLU H 4.100 . 4.100 3.566 2.972 3.774 . 0 0 "[ . 1 . 2 . 3 . ]" 1 961 1 97 TYR HB2 1 98 GLU H 5.000 . 5.000 4.433 4.133 4.533 . 0 0 "[ . 1 . 2 . 3 . ]" 1 962 1 97 TYR HB3 1 98 GLU H 5.000 . 5.000 3.778 3.047 4.041 . 0 0 "[ . 1 . 2 . 3 . ]" 1 963 1 97 TYR QD 1 98 GLU H 5.000 . 5.000 4.585 3.717 4.856 . 0 0 "[ . 1 . 2 . 3 . ]" 1 964 1 97 TYR QD 1 98 GLU QB 5.900 . 5.900 4.376 3.925 4.732 . 0 0 "[ . 1 . 2 . 3 . ]" 1 965 1 98 GLU H 1 98 GLU HA 2.900 . 2.900 2.384 2.271 2.642 . 0 0 "[ . 1 . 2 . 3 . ]" 1 966 1 98 GLU QB 1 98 GLU QG 2.500 . 2.500 2.054 2.017 2.087 . 0 0 "[ . 1 . 2 . 3 . ]" 1 967 1 98 GLU QG 1 100 LEU MD2 6.900 . 6.900 4.539 3.438 5.120 . 0 0 "[ . 1 . 2 . 3 . ]" 1 968 1 99 PHE HA 1 100 LEU H 3.300 . 3.300 2.222 2.139 2.420 . 0 0 "[ . 1 . 2 . 3 . ]" 1 969 1 100 LEU H 1 100 LEU MD1 5.000 . 5.000 4.013 3.528 4.165 . 0 0 "[ . 1 . 2 . 3 . ]" 1 970 1 100 LEU H 1 100 LEU MD2 5.000 . 5.000 3.924 3.076 4.179 . 0 0 "[ . 1 . 2 . 3 . ]" 1 971 1 100 LEU HA 1 100 LEU MD1 3.500 . 3.500 2.162 1.861 2.827 . 0 0 "[ . 1 . 2 . 3 . ]" 1 972 1 100 LEU HA 1 101 GLU H 2.900 . 2.900 2.285 2.143 2.747 . 0 0 "[ . 1 . 2 . 3 . ]" 1 973 1 100 LEU QB 1 100 LEU HG 2.600 . 2.600 2.228 2.143 2.440 . 0 0 "[ . 1 . 2 . 3 . ]" 1 974 1 100 LEU QB 1 101 GLU H 5.900 . 5.900 3.665 2.952 4.020 . 0 0 "[ . 1 . 2 . 3 . ]" 1 975 1 100 LEU MD1 1 109 PHE H 6.000 . 6.000 3.936 2.565 4.888 . 0 0 "[ . 1 . 2 . 3 . ]" 1 976 1 100 LEU MD1 1 109 PHE HA 4.300 . 4.300 3.100 2.442 3.510 . 0 0 "[ . 1 . 2 . 3 . ]" 1 977 1 100 LEU MD2 1 108 ARG QG 6.900 . 6.900 4.407 3.068 4.997 . 0 0 "[ . 1 . 2 . 3 . ]" 1 978 1 100 LEU MD2 1 109 PHE HA 4.300 . 4.300 2.059 1.751 2.813 0.049 17 0 "[ . 1 . 2 . 3 . ]" 1 979 1 100 LEU MD2 1 109 PHE QB 6.900 . 6.900 2.721 1.811 3.772 . 0 0 "[ . 1 . 2 . 3 . ]" 1 980 1 100 LEU MD2 1 109 PHE QD 5.000 . 5.000 2.295 1.805 3.169 . 0 0 "[ . 1 . 2 . 3 . ]" 1 981 1 101 GLU H 1 101 GLU QB 3.700 . 3.700 2.433 2.063 2.977 . 0 0 "[ . 1 . 2 . 3 . ]" 1 982 1 101 GLU H 1 101 GLU QG 4.200 . 4.200 2.676 1.979 3.784 . 0 0 "[ . 1 . 2 . 3 . ]" 1 983 1 101 GLU HA 1 101 GLU QG 3.700 . 3.700 2.587 2.095 3.346 . 0 0 "[ . 1 . 2 . 3 . ]" 1 984 1 101 GLU QB 1 101 GLU QG 2.500 . 2.500 2.042 1.981 2.086 . 0 0 "[ . 1 . 2 . 3 . ]" 1 985 1 102 LYS H 1 103 PRO HD2 3.300 . 3.300 2.941 1.884 3.319 0.019 10 0 "[ . 1 . 2 . 3 . ]" 1 986 1 102 LYS H 1 103 PRO HD3 3.300 . 3.300 2.551 1.968 3.302 0.002 13 0 "[ . 1 . 2 . 3 . ]" 1 987 1 103 PRO HA 1 104 PHE H 3.300 . 3.300 2.809 2.179 3.399 0.099 35 0 "[ . 1 . 2 . 3 . ]" 1 988 1 104 PHE HA 1 104 PHE QB 2.700 . 2.700 2.465 2.185 2.539 . 0 0 "[ . 1 . 2 . 3 . ]" 1 989 1 105 SER HA 1 105 SER QB 2.600 . 2.600 2.266 2.167 2.371 . 0 0 "[ . 1 . 2 . 3 . ]" 1 990 1 105 SER QB 1 107 GLU H 5.900 . 5.900 3.109 2.247 4.484 . 0 0 "[ . 1 . 2 . 3 . ]" 1 991 1 106 VAL H 1 107 GLU H 5.000 . 5.000 2.516 1.796 3.329 0.004 14 0 "[ . 1 . 2 . 3 . ]" 1 992 1 106 VAL HA 1 106 VAL HB 2.900 . 2.900 2.425 2.281 2.487 . 0 0 "[ . 1 . 2 . 3 . ]" 1 993 1 106 VAL HA 1 109 PHE H 3.300 . 3.300 3.021 2.863 3.221 . 0 0 "[ . 1 . 2 . 3 . ]" 1 994 1 106 VAL HA 1 109 PHE HB2 3.300 . 3.300 3.240 3.074 3.343 0.043 30 0 "[ . 1 . 2 . 3 . ]" 1 995 1 106 VAL HA 1 109 PHE QB 2.800 . 2.800 2.497 1.978 2.626 . 0 0 "[ . 1 . 2 . 3 . ]" 1 996 1 106 VAL HA 1 109 PHE HB3 3.300 . 3.300 2.610 1.993 2.850 . 0 0 "[ . 1 . 2 . 3 . ]" 1 997 1 106 VAL MG2 1 107 GLU H 5.000 . 5.000 3.603 2.515 4.127 . 0 0 "[ . 1 . 2 . 3 . ]" 1 998 1 106 VAL MG2 1 107 GLU HA 5.000 . 5.000 3.752 3.205 4.052 . 0 0 "[ . 1 . 2 . 3 . ]" 1 999 1 106 VAL MG2 1 109 PHE H 6.000 . 6.000 4.001 3.363 4.640 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1000 1 106 VAL MG2 1 109 PHE QB 6.900 . 6.900 2.574 1.792 3.666 0.008 17 0 "[ . 1 . 2 . 3 . ]" 1 1001 1 106 VAL MG2 1 109 PHE QD 5.000 . 5.000 2.189 1.804 2.743 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1002 1 106 VAL MG2 1 110 LEU H 6.000 . 6.000 3.834 3.278 4.410 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1003 1 106 VAL MG2 1 110 LEU HG 6.000 . 6.000 4.426 3.521 4.895 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1004 1 106 VAL O 1 110 LEU H 2.300 . 2.300 2.297 2.098 2.368 0.068 25 0 "[ . 1 . 2 . 3 . ]" 1 1005 1 106 VAL O 1 110 LEU N 3.300 . 3.300 3.096 2.833 3.270 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1006 1 107 GLU H 1 107 GLU HB2 2.900 . 2.900 2.293 2.191 2.806 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1007 1 107 GLU H 1 107 GLU HB3 2.900 . 2.900 2.808 2.276 2.916 0.016 8 0 "[ . 1 . 2 . 3 . ]" 1 1008 1 107 GLU H 1 107 GLU QG 4.200 . 4.200 3.842 3.808 3.933 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1009 1 107 GLU H 1 108 ARG H 3.300 . 3.300 2.829 2.358 3.093 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1010 1 107 GLU HA 1 107 GLU QB 2.600 . 2.600 2.426 2.253 2.497 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1011 1 107 GLU HA 1 107 GLU QG 3.400 . 3.400 2.328 2.082 2.665 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1012 1 107 GLU HA 1 110 LEU H 5.000 . 5.000 3.517 3.269 3.847 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1013 1 107 GLU HA 1 110 LEU HB2 5.000 . 5.000 2.874 2.557 3.343 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1014 1 107 GLU HA 1 110 LEU QB 4.100 . 4.100 2.829 2.521 3.291 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1015 1 107 GLU HA 1 110 LEU HB3 5.000 . 5.000 4.247 3.750 4.911 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1016 1 107 GLU HA 1 110 LEU MD1 4.300 . 4.300 3.168 2.592 3.403 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1017 1 107 GLU QB 1 107 GLU QG 2.500 . 2.500 2.054 2.013 2.083 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1018 1 107 GLU QG 1 108 ARG H 5.900 . 5.900 3.979 2.855 4.414 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1019 1 107 GLU QG 1 111 LEU QD 6.800 . 6.800 3.644 2.697 4.037 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1020 1 108 ARG H 1 108 ARG QB 3.400 . 3.400 2.189 2.049 2.630 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1021 1 108 ARG H 1 109 PHE H 3.300 . 3.300 2.545 2.439 2.710 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1022 1 108 ARG H 1 109 PHE QB 5.900 . 5.900 4.231 4.064 4.408 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1023 1 108 ARG HA 1 108 ARG QD 4.200 . 4.200 3.050 1.956 3.812 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1024 1 108 ARG HA 1 108 ARG QG 3.400 . 3.400 2.358 2.007 2.964 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1025 1 108 ARG HA 1 111 LEU MD1 6.000 . 6.000 2.032 1.830 2.480 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1026 1 108 ARG HA 1 111 LEU QD 5.000 . 5.000 2.023 1.829 2.471 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1027 1 108 ARG HA 1 111 LEU MD2 6.000 . 6.000 4.070 3.157 4.836 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1028 1 108 ARG QB 1 109 PHE H 4.200 . 4.200 2.692 2.512 2.939 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1029 1 108 ARG QG 1 109 PHE H 5.900 . 5.900 4.179 3.651 4.639 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1030 1 109 PHE H 1 109 PHE HB2 3.300 . 3.300 2.757 2.602 3.101 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1031 1 109 PHE H 1 109 PHE QB 2.900 . 2.900 2.182 2.029 2.235 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1032 1 109 PHE H 1 109 PHE HB3 3.300 . 3.300 2.298 2.057 2.435 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1033 1 109 PHE H 1 110 LEU H 3.300 . 3.300 2.641 2.536 2.742 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1034 1 109 PHE HA 1 109 PHE QB 2.700 . 2.700 2.277 2.177 2.332 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1035 1 109 PHE HA 1 109 PHE QD 3.300 . 3.300 2.616 2.163 3.458 0.158 7 0 "[ . 1 . 2 . 3 . ]" 1 1036 1 109 PHE HA 1 112 THR HB 3.300 . 3.300 3.070 2.409 3.323 0.023 14 0 "[ . 1 . 2 . 3 . ]" 1 1037 1 109 PHE QB 1 110 LEU H 4.200 . 4.200 2.860 2.528 3.236 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1038 1 109 PHE QB 1 111 LEU H 5.900 . 5.900 5.040 4.614 5.289 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1039 1 109 PHE QD 1 110 LEU H 5.000 . 5.000 3.705 2.665 4.253 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1040 1 109 PHE HZ 1 113 ILE QG 4.200 . 4.200 2.944 2.464 3.670 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1041 1 109 PHE O 1 113 ILE H 2.300 . 2.300 2.114 1.769 2.334 0.034 3 0 "[ . 1 . 2 . 3 . ]" 1 1042 1 109 PHE O 1 113 ILE N 3.300 . 3.300 3.043 2.651 3.280 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1043 1 110 LEU H 1 110 LEU HB2 3.300 . 3.300 2.075 2.034 2.163 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1044 1 110 LEU H 1 110 LEU QB 2.900 . 2.900 2.044 2.015 2.103 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1045 1 110 LEU H 1 110 LEU HB3 3.300 . 3.300 3.091 2.871 3.322 0.022 21 0 "[ . 1 . 2 . 3 . ]" 1 1046 1 110 LEU H 1 110 LEU MD1 5.000 . 5.000 3.960 3.746 4.124 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1047 1 110 LEU H 1 111 LEU H 3.300 . 3.300 2.798 2.616 2.986 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1048 1 110 LEU HA 1 110 LEU QB 2.600 . 2.600 2.499 2.454 2.522 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1049 1 110 LEU HA 1 110 LEU MD1 4.300 . 4.300 3.680 3.602 3.735 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1050 1 110 LEU HA 1 110 LEU MD2 3.500 . 3.500 2.566 1.957 2.850 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1051 1 110 LEU HA 1 110 LEU HG 3.300 . 3.300 2.344 2.209 2.658 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1052 1 110 LEU HA 1 113 ILE H 5.000 . 5.000 3.675 3.371 4.028 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1053 1 110 LEU HA 1 113 ILE HB 3.300 . 3.300 2.776 2.362 3.309 0.009 8 0 "[ . 1 . 2 . 3 . ]" 1 1054 1 110 LEU HA 1 113 ILE QG 5.900 . 5.900 3.138 2.844 3.809 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1055 1 110 LEU QB 1 111 LEU H 4.200 . 4.200 2.495 2.072 2.883 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1056 1 110 LEU HB2 1 111 LEU H 3.300 . 3.300 3.283 2.927 3.336 0.036 11 0 "[ . 1 . 2 . 3 . ]" 1 1057 1 110 LEU HB3 1 111 LEU H 3.300 . 3.300 2.606 2.093 3.206 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1058 1 111 LEU H 1 111 LEU QB 3.300 . 3.300 2.395 2.216 2.528 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1059 1 111 LEU H 1 112 THR H 2.900 . 2.900 2.838 2.442 2.934 0.034 11 0 "[ . 1 . 2 . 3 . ]" 1 1060 1 111 LEU HA 1 111 LEU QB 2.600 . 2.600 2.395 2.336 2.456 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1061 1 111 LEU HA 1 111 LEU HG 2.500 . 2.500 2.407 2.260 2.514 0.014 2 0 "[ . 1 . 2 . 3 . ]" 1 1062 1 111 LEU HA 1 113 ILE H 5.000 . 5.000 4.475 3.940 4.960 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1063 1 111 LEU HA 1 114 LYS QB 4.200 . 4.200 3.555 2.742 3.865 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1064 1 111 LEU QB 1 112 THR H 4.200 . 4.200 2.379 2.148 2.681 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1065 1 111 LEU QD 1 112 THR H 7.600 . 7.600 3.597 3.289 3.960 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1066 1 112 THR H 1 112 THR HB 2.900 . 2.900 2.528 2.421 2.644 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1067 1 112 THR HA 1 115 HIS H 5.000 . 5.000 3.664 3.380 4.114 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1068 1 112 THR HA 1 115 HIS QB 3.800 . 3.800 2.705 1.999 3.476 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1069 1 112 THR HB 1 113 ILE H 3.300 . 3.300 2.560 2.204 2.842 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1070 1 112 THR MG 1 113 ILE H 4.300 . 4.300 3.453 3.100 3.570 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1071 1 112 THR MG 1 115 HIS QB 6.900 . 6.900 3.503 3.046 4.333 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1072 1 113 ILE H 1 113 ILE HB 2.900 . 2.900 2.342 2.179 2.538 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1073 1 113 ILE H 1 113 ILE MD 5.000 . 5.000 3.573 2.060 3.904 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1074 1 113 ILE H 1 113 ILE HG12 5.000 . 5.000 2.568 2.144 3.865 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1075 1 113 ILE H 1 113 ILE QG 4.100 . 4.100 2.523 2.129 3.477 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1076 1 113 ILE H 1 113 ILE HG13 5.000 . 5.000 3.812 3.612 3.971 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1077 1 113 ILE H 1 114 LYS H 3.300 . 3.300 3.055 2.781 3.349 0.049 18 0 "[ . 1 . 2 . 3 . ]" 1 1078 1 113 ILE HA 1 113 ILE MD 3.500 . 3.500 2.038 1.933 2.183 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1079 1 113 ILE HA 1 113 ILE QG 3.400 . 3.400 2.659 2.410 2.876 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1080 1 113 ILE HA 1 115 HIS H 5.000 . 5.000 4.538 3.749 4.967 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1081 1 113 ILE HA 1 116 ALA H 3.300 . 3.300 3.336 3.244 3.391 0.091 18 0 "[ . 1 . 2 . 3 . ]" 1 1082 1 113 ILE HA 1 116 ALA MB 3.500 . 3.500 2.352 2.013 2.780 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1083 1 113 ILE HB 1 113 ILE QG 2.600 . 2.600 2.188 2.182 2.327 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1084 1 113 ILE HB 1 114 LYS H 3.300 . 3.300 2.456 1.987 2.704 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1085 1 113 ILE MG 1 114 LYS H 3.300 . 3.300 2.515 2.471 2.583 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1086 1 113 ILE MG 1 114 LYS HA 6.000 . 6.000 2.898 2.790 3.145 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1087 1 113 ILE MG 1 117 PHE QD 5.000 . 5.000 2.370 1.935 3.229 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1088 1 113 ILE MG 1 117 PHE QE 5.000 . 5.000 2.105 1.854 2.941 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1089 1 114 LYS H 1 114 LYS QB 3.400 . 3.400 2.243 2.101 2.664 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1090 1 114 LYS H 1 115 HIS H 2.900 . 2.900 2.901 2.679 3.019 0.119 21 0 "[ . 1 . 2 . 3 . ]" 1 1091 1 114 LYS HA 1 114 LYS QB 2.600 . 2.600 2.365 2.147 2.495 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1092 1 114 LYS HA 1 114 LYS QG 3.400 . 3.400 2.448 2.180 3.331 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1093 1 114 LYS HA 1 117 PHE H 5.000 . 5.000 3.559 3.345 4.024 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1094 1 114 LYS HA 1 117 PHE HB2 5.000 . 5.000 3.099 2.492 3.354 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1095 1 114 LYS HA 1 117 PHE HB3 5.000 . 5.000 4.745 4.036 5.017 0.017 6 0 "[ . 1 . 2 . 3 . ]" 1 1096 1 114 LYS HA 1 117 PHE QD 5.000 . 5.000 3.057 2.372 3.628 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1097 1 114 LYS QB 1 115 HIS H 5.900 . 5.900 2.483 2.019 3.700 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1098 1 114 LYS QD 1 115 HIS HA 4.200 . 4.200 3.014 2.410 3.647 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1099 1 114 LYS QE 1 116 ALA H 5.900 . 5.900 5.130 4.526 5.322 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1100 1 115 HIS H 1 115 HIS HA 2.900 . 2.900 2.812 2.738 2.912 0.012 3 0 "[ . 1 . 2 . 3 . ]" 1 1101 1 115 HIS H 1 115 HIS QB 3.500 . 3.500 2.243 2.043 2.660 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1102 1 115 HIS HA 1 115 HIS QB 2.600 . 2.600 2.434 2.309 2.526 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1103 1 115 HIS HA 1 118 GLU QB 5.900 . 5.900 2.839 2.053 3.733 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1104 1 115 HIS HA 1 118 GLU QG 5.900 . 5.900 3.333 1.845 5.035 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1105 1 115 HIS QB 1 116 ALA H 3.800 . 3.800 2.874 2.606 3.070 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1106 1 116 ALA H 1 116 ALA MB 2.900 . 2.900 2.134 2.023 2.294 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1107 1 116 ALA H 1 117 PHE H 2.900 . 2.900 2.569 2.328 2.713 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1108 1 116 ALA HA 1 117 PHE H 5.000 . 5.000 3.523 3.476 3.566 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1109 1 116 ALA HA 1 119 GLU H 5.000 . 5.000 4.017 3.327 4.646 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1110 1 116 ALA HA 1 119 GLU QB 5.900 . 5.900 3.956 2.503 5.163 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1111 1 116 ALA MB 1 117 PHE H 4.300 . 4.300 2.661 2.302 2.801 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1112 1 116 ALA MB 1 118 GLU H 6.000 . 6.000 4.414 4.154 4.985 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1113 1 117 PHE H 1 117 PHE QB 2.900 . 2.900 2.223 2.167 2.310 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1114 1 117 PHE H 1 117 PHE QD 3.300 . 3.300 2.659 2.183 3.486 0.186 6 0 "[ . 1 . 2 . 3 . ]" 1 1115 1 117 PHE H 1 118 GLU H 2.900 . 2.900 2.542 2.309 2.809 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1116 1 117 PHE HA 1 117 PHE QB 2.700 . 2.700 2.461 2.434 2.480 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1117 1 117 PHE HA 1 117 PHE QD 3.300 . 3.300 2.788 1.894 3.053 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1118 1 117 PHE HA 1 120 TYR QB 5.000 . 5.000 3.484 2.561 4.486 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1119 1 117 PHE QB 1 118 GLU H 4.100 . 4.100 2.892 2.291 3.185 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1120 1 117 PHE QB 1 118 GLU QB 6.800 . 6.800 4.447 3.791 4.899 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1121 1 117 PHE QB 1 118 GLU QG 6.800 . 6.800 4.008 2.867 5.415 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1122 1 117 PHE HB2 1 118 GLU H 5.000 . 5.000 3.032 2.388 3.376 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1123 1 117 PHE HB3 1 118 GLU H 5.000 . 5.000 3.661 2.895 4.001 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1124 1 118 GLU H 1 118 GLU QB 3.400 . 3.400 2.311 2.031 2.585 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1125 1 118 GLU H 1 118 GLU QG 4.200 . 4.200 2.869 2.065 3.834 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1126 1 118 GLU HA 1 118 GLU QB 2.600 . 2.600 2.421 2.297 2.525 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1127 1 118 GLU HA 1 118 GLU QG 3.400 . 3.400 2.373 2.129 2.936 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1128 1 118 GLU HA 1 121 SER QB 5.900 . 5.900 4.025 2.612 5.317 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1129 1 118 GLU QB 1 118 GLU QG 2.500 . 2.500 2.043 1.987 2.085 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1130 1 119 GLU H 1 119 GLU QB 3.400 . 3.400 2.469 2.136 2.777 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1131 1 119 GLU H 1 119 GLU QG 3.400 . 3.400 2.463 1.927 3.077 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1132 1 119 GLU H 1 120 TYR H 3.300 . 3.300 2.748 1.964 3.192 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1133 1 119 GLU H 1 121 SER H 5.000 . 5.000 4.810 4.195 5.018 0.018 18 0 "[ . 1 . 2 . 3 . ]" 1 1134 1 119 GLU HA 1 119 GLU QB 2.600 . 2.600 2.350 2.150 2.487 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1135 1 119 GLU HA 1 119 GLU QG 3.400 . 3.400 2.545 2.116 3.241 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1136 1 119 GLU HA 1 120 TYR H 3.300 . 3.300 3.107 2.747 3.402 0.102 4 0 "[ . 1 . 2 . 3 . ]" 1 1137 1 120 TYR H 1 120 TYR HB2 3.300 . 3.300 2.935 2.566 3.301 0.001 5 0 "[ . 1 . 2 . 3 . ]" 1 1138 1 120 TYR H 1 120 TYR HB3 3.300 . 3.300 3.060 2.580 3.344 0.044 19 0 "[ . 1 . 2 . 3 . ]" 1 1139 1 120 TYR H 1 121 SER H 5.000 . 5.000 2.450 1.943 3.102 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1140 1 120 TYR HA 1 120 TYR QB 2.700 . 2.700 2.467 2.372 2.539 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1141 1 120 TYR HA 1 121 SER H 3.300 . 3.300 2.856 2.427 3.093 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1142 1 120 TYR HB2 1 121 SER H 5.000 . 5.000 4.512 4.401 4.658 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1143 1 120 TYR HB3 1 121 SER H 5.000 . 5.000 4.145 3.887 4.339 . 0 0 "[ . 1 . 2 . 3 . ]" 1 1144 1 121 SER H 1 121 SER QB 3.700 . 3.700 2.735 2.057 3.297 . 0 0 "[ . 1 . 2 . 3 . ]" 1 stop_ save_
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