NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
633241 | 6c2v | 30395 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6c2v 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 2151 _Distance_constraint_stats_list.Viol_count 6798 _Distance_constraint_stats_list.Viol_total 8060.453 _Distance_constraint_stats_list.Viol_max 1.452 _Distance_constraint_stats_list.Viol_rms 0.0482 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0094 _Distance_constraint_stats_list.Viol_average_violations_only 0.0593 _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 1 MET 0.184 0.024 3 0 "[ . 1 . 2]" 1 2 ARG 3.761 0.174 12 0 "[ . 1 . 2]" 1 3 VAL 48.059 1.187 7 20 [******+**-**********] 1 4 ILE 8.280 0.133 19 0 "[ . 1 . 2]" 1 5 VAL 9.751 0.639 19 1 "[ . 1 . +2]" 1 6 VAL 8.039 0.374 7 0 "[ . 1 . 2]" 1 7 ILE 12.994 0.345 19 0 "[ . 1 . 2]" 1 8 VAL 0.641 0.055 4 0 "[ . 1 . 2]" 1 9 GLY 1.151 0.128 4 0 "[ . 1 . 2]" 1 10 PRO 0.465 0.051 19 0 "[ . 1 . 2]" 1 11 SER 0.423 0.131 8 0 "[ . 1 . 2]" 1 12 GLY 0.384 0.131 8 0 "[ . 1 . 2]" 1 13 ALA 0.252 0.079 13 0 "[ . 1 . 2]" 1 14 GLY 0.357 0.076 16 0 "[ . 1 . 2]" 1 15 LYS 0.385 0.076 16 0 "[ . 1 . 2]" 1 16 THR 0.204 0.025 10 0 "[ . 1 . 2]" 1 17 THR 1.834 0.143 10 0 "[ . 1 . 2]" 1 18 LEU 1.152 0.047 13 0 "[ . 1 . 2]" 1 19 ASP 7.320 0.216 17 0 "[ . 1 . 2]" 1 20 GLU 3.952 0.099 11 0 "[ . 1 . 2]" 1 21 LEU 6.945 0.216 17 0 "[ . 1 . 2]" 1 22 ALA 2.006 0.059 1 0 "[ . 1 . 2]" 1 23 ARG 1.432 0.106 14 0 "[ . 1 . 2]" 1 24 LYS 0.040 0.040 12 0 "[ . 1 . 2]" 1 25 ALA 2.013 0.122 11 0 "[ . 1 . 2]" 1 26 LYS 13.641 0.374 9 0 "[ . 1 . 2]" 1 27 GLU 1.650 0.222 14 0 "[ . 1 . 2]" 1 28 GLU 6.422 0.338 14 0 "[ . 1 . 2]" 1 29 VAL 41.484 0.471 8 0 "[ . 1 . 2]" 1 30 PRO 9.625 0.178 2 0 "[ . 1 . 2]" 1 31 ASP 37.515 1.062 8 20 [*******+*******-****] 1 32 ALA 35.453 1.187 7 20 [******+**-**********] 1 33 GLU 4.503 0.092 20 0 "[ . 1 . 2]" 1 34 ILE 11.631 0.086 1 0 "[ . 1 . 2]" 1 35 ARG 13.280 0.158 1 0 "[ . 1 . 2]" 1 36 THR 4.608 0.057 1 0 "[ . 1 . 2]" 1 37 VAL 27.687 0.421 11 0 "[ . 1 . 2]" 1 38 THR 3.833 0.315 15 0 "[ . 1 . 2]" 1 39 THR 8.283 0.422 17 0 "[ . 1 . 2]" 1 40 LYS 3.064 0.072 7 0 "[ . 1 . 2]" 1 41 GLU 15.613 0.421 11 0 "[ . 1 . 2]" 1 42 ASP 24.275 0.407 13 0 "[ . 1 . 2]" 1 43 ALA 8.254 0.581 3 3 "[ + .- 1 * . 2]" 1 44 LYS 4.527 0.234 13 0 "[ . 1 . 2]" 1 45 ARG 3.521 0.422 13 0 "[ . 1 . 2]" 1 46 VAL 13.746 0.581 3 3 "[ + .- 1 * . 2]" 1 47 ALA 4.914 0.143 14 0 "[ . 1 . 2]" 1 48 GLU 6.556 0.167 13 0 "[ . 1 . 2]" 1 49 GLU 7.999 0.162 7 0 "[ . 1 . 2]" 1 50 ALA 7.883 0.162 7 0 "[ . 1 . 2]" 1 51 GLU 6.390 0.127 15 0 "[ . 1 . 2]" 1 52 ARG 7.113 0.127 15 0 "[ . 1 . 2]" 1 53 ARG 7.125 0.131 17 0 "[ . 1 . 2]" 1 54 ASN 12.775 0.131 17 0 "[ . 1 . 2]" 1 55 ALA 4.855 0.087 4 0 "[ . 1 . 2]" 1 56 ASP 4.051 0.174 12 0 "[ . 1 . 2]" 1 57 ILE 3.889 0.059 1 0 "[ . 1 . 2]" 1 58 VAL 7.293 0.241 4 0 "[ . 1 . 2]" 1 59 VAL 13.001 0.639 19 1 "[ . 1 . +2]" 1 60 ILE 8.907 0.160 7 0 "[ . 1 . 2]" 1 61 VAL 8.146 0.374 7 0 "[ . 1 . 2]" 1 62 GLY 0.864 0.052 4 0 "[ . 1 . 2]" 1 63 PRO 2.915 0.098 3 0 "[ . 1 . 2]" 1 64 SER 1.830 0.098 3 0 "[ . 1 . 2]" 1 66 SER 0.210 0.042 13 0 "[ . 1 . 2]" 1 67 GLY 0.957 0.169 11 0 "[ . 1 . 2]" 1 68 LYS 3.233 0.169 11 0 "[ . 1 . 2]" 1 69 SER 2.156 0.109 3 0 "[ . 1 . 2]" 1 70 THR 3.493 0.075 18 0 "[ . 1 . 2]" 1 71 LEU 20.339 0.591 8 4 "[ **- + 1 . 2]" 1 72 ALA 2.121 0.060 4 0 "[ . 1 . 2]" 1 73 LYS 3.247 0.148 14 0 "[ . 1 . 2]" 1 74 ILE 9.682 0.591 8 4 "[ **- + 1 . 2]" 1 75 VAL 3.126 0.065 7 0 "[ . 1 . 2]" 1 76 LYS 1.113 0.071 11 0 "[ . 1 . 2]" 1 77 LYS 2.800 0.220 1 0 "[ . 1 . 2]" 1 78 ILE 8.608 0.073 7 0 "[ . 1 . 2]" 1 79 ILE 10.237 0.126 6 0 "[ . 1 . 2]" 1 80 ALA 3.705 0.121 20 0 "[ . 1 . 2]" 1 81 ARG 4.713 0.103 8 0 "[ . 1 . 2]" 1 82 ALA 3.627 0.094 7 0 "[ . 1 . 2]" 1 83 GLY 3.641 0.083 4 0 "[ . 1 . 2]" 1 84 ALA 3.339 0.074 20 0 "[ . 1 . 2]" 1 85 LYS 8.319 0.241 4 0 "[ . 1 . 2]" 1 86 THR 9.840 0.135 15 0 "[ . 1 . 2]" 1 87 ILE 9.934 0.121 1 0 "[ . 1 . 2]" 1 88 GLU 6.962 0.289 3 0 "[ . 1 . 2]" 1 89 VAL 17.143 0.853 15 9 "[* *.* *1 *+* *-]" 1 90 THR 2.895 0.205 8 0 "[ . 1 . 2]" 1 91 THR 8.074 0.853 15 9 "[* *.* *1 *+* *-]" 1 95 LEU 14.289 1.452 13 4 "[ *. * 1 + * 2]" 1 96 ARG 0.630 0.288 7 0 "[ . 1 . 2]" 1 98 ALA 5.524 0.325 13 0 "[ . 1 . 2]" 1 99 VAL 13.237 1.452 13 4 "[ *. * 1 +-. 2]" 1 100 ALA 2.046 0.642 14 1 "[ . 1 +. 2]" 1 101 LYS 1.769 0.082 10 0 "[ . 1 . 2]" 1 102 ALA 3.624 0.080 10 0 "[ . 1 . 2]" 1 103 ARG 1.290 0.433 2 0 "[ . 1 . 2]" 1 104 GLY 6.824 0.579 5 1 "[ + 1 . 2]" 1 105 SER 3.149 0.381 4 0 "[ . 1 . 2]" 1 106 TRP 5.645 0.100 19 0 "[ . 1 . 2]" 1 107 SER 8.394 1.027 2 2 "[ + . -1 . 2]" 1 108 LEU 17.236 1.027 2 3 "[ + - *1 . 2]" 1 109 GLU 4.891 0.112 13 0 "[ . 1 . 2]" 1 110 HIS 0.620 0.043 18 0 "[ . 1 . 2]" 1 111 HIS 1.874 0.112 13 0 "[ . 1 . 2]" 1 112 HIS 0.399 0.099 13 0 "[ . 1 . 2]" 1 114 HIS 0.028 0.017 5 0 "[ . 1 . 2]" 1 115 HIS 0.028 0.017 5 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 2 ARG HB2 1 3 VAL H . . 4.410 4.110 4.004 4.327 . 0 0 "[ . 1 . 2]" 1 2 1 2 ARG HB3 1 3 VAL H . . 4.260 3.882 3.790 4.132 . 0 0 "[ . 1 . 2]" 1 3 1 2 ARG HB2 1 56 ASP H . . 3.960 3.489 3.433 3.540 . 0 0 "[ . 1 . 2]" 1 4 1 2 ARG HB3 1 2 ARG HD3 . . 4.080 3.905 3.808 4.032 . 0 0 "[ . 1 . 2]" 1 5 1 2 ARG HB3 1 2 ARG HD2 . . 4.080 2.781 2.628 3.006 . 0 0 "[ . 1 . 2]" 1 6 1 2 ARG HA 1 2 ARG HG2 . . 3.820 3.072 2.942 3.246 . 0 0 "[ . 1 . 2]" 1 7 1 1 MET HG3 1 57 ILE MD . . 3.710 2.783 2.473 3.525 . 0 0 "[ . 1 . 2]" 1 8 1 2 ARG HB3 1 55 ALA MB . . 4.130 3.769 3.730 3.821 . 0 0 "[ . 1 . 2]" 1 9 1 2 ARG HA 1 55 ALA MB . . 5.500 5.532 5.512 5.565 0.065 10 0 "[ . 1 . 2]" 1 10 1 2 ARG HA 1 32 ALA MB . . 5.370 5.204 5.031 5.342 . 0 0 "[ . 1 . 2]" 1 11 1 3 VAL H 1 3 VAL HB . . 3.560 2.567 2.472 2.625 . 0 0 "[ . 1 . 2]" 1 12 1 3 VAL HB 1 32 ALA H . . 5.110 4.326 4.183 4.481 . 0 0 "[ . 1 . 2]" 1 13 1 3 VAL HB 1 33 GLU H . . 5.410 4.580 4.467 4.717 . 0 0 "[ . 1 . 2]" 1 14 1 57 ILE H 1 58 VAL MG1 . . 4.530 4.244 4.143 4.310 . 0 0 "[ . 1 . 2]" 1 15 1 58 VAL MG1 1 79 ILE HG13 . . 2.750 2.255 2.204 2.320 . 0 0 "[ . 1 . 2]" 1 16 1 58 VAL MG2 1 84 ALA MB . . 2.760 2.567 2.511 2.626 . 0 0 "[ . 1 . 2]" 1 17 1 55 ALA MB 1 58 VAL MG1 . . 2.820 2.022 1.982 2.056 . 0 0 "[ . 1 . 2]" 1 18 1 4 ILE MD 1 5 VAL H . . 4.480 4.368 4.330 4.414 . 0 0 "[ . 1 . 2]" 1 19 1 4 ILE MG 1 35 ARG H . . 4.110 4.120 4.047 4.158 0.048 7 0 "[ . 1 . 2]" 1 20 1 4 ILE MG 1 6 VAL H . . 4.480 3.291 3.228 3.367 . 0 0 "[ . 1 . 2]" 1 21 1 4 ILE HB 1 58 VAL MG1 . . 3.300 2.038 2.020 2.065 . 0 0 "[ . 1 . 2]" 1 22 1 4 ILE H 1 4 ILE HG12 . . 4.650 4.080 4.007 4.119 . 0 0 "[ . 1 . 2]" 1 23 1 4 ILE HG13 1 5 VAL H . . 5.210 4.875 4.827 4.953 . 0 0 "[ . 1 . 2]" 1 24 1 4 ILE HA 1 4 ILE MG . . 3.180 2.608 2.560 2.636 . 0 0 "[ . 1 . 2]" 1 25 1 4 ILE MG 1 5 VAL HA . . 3.960 3.265 3.199 3.442 . 0 0 "[ . 1 . 2]" 1 26 1 4 ILE HA 1 4 ILE MD . . 3.620 3.556 3.527 3.573 . 0 0 "[ . 1 . 2]" 1 27 1 4 ILE HG13 1 33 GLU H . . 4.750 3.438 3.304 3.610 . 0 0 "[ . 1 . 2]" 1 28 1 4 ILE HA 1 4 ILE HG13 . . 3.890 3.016 2.996 3.063 . 0 0 "[ . 1 . 2]" 1 29 1 4 ILE HG12 1 33 GLU HB2 . . 3.880 2.234 2.199 2.283 . 0 0 "[ . 1 . 2]" 1 30 1 4 ILE HG12 1 50 ALA HA . . 5.460 5.181 5.108 5.242 . 0 0 "[ . 1 . 2]" 1 31 1 4 ILE HA 1 4 ILE HG12 . . 3.990 2.099 2.082 2.117 . 0 0 "[ . 1 . 2]" 1 32 1 3 VAL H 1 4 ILE HG12 . . 5.330 5.046 4.930 5.208 . 0 0 "[ . 1 . 2]" 1 33 1 4 ILE MG 1 35 ARG HE . . 4.060 3.041 2.626 4.082 0.022 14 0 "[ . 1 . 2]" 1 34 1 4 ILE MG 1 58 VAL H . . 5.500 5.565 5.547 5.591 0.091 12 0 "[ . 1 . 2]" 1 35 1 4 ILE H 1 4 ILE MG . . 3.940 3.784 3.756 3.803 . 0 0 "[ . 1 . 2]" 1 36 1 4 ILE MG 1 50 ALA H . . 5.340 5.145 5.054 5.288 . 0 0 "[ . 1 . 2]" 1 37 1 4 ILE MG 1 55 ALA HA . . 5.490 5.505 5.457 5.536 0.046 4 0 "[ . 1 . 2]" 1 38 1 4 ILE MG 1 33 GLU HB2 . . 3.440 2.944 2.875 2.979 . 0 0 "[ . 1 . 2]" 1 39 1 4 ILE MG 1 33 GLU HB3 . . 4.380 4.365 4.267 4.408 0.028 13 0 "[ . 1 . 2]" 1 40 1 4 ILE HG13 1 4 ILE MG . . 3.310 3.215 3.204 3.222 . 0 0 "[ . 1 . 2]" 1 41 1 4 ILE MG 1 50 ALA MB . . 3.270 2.812 2.722 2.886 . 0 0 "[ . 1 . 2]" 1 42 1 4 ILE HG12 1 4 ILE MG . . 3.070 2.656 2.615 2.698 . 0 0 "[ . 1 . 2]" 1 43 1 4 ILE MD 1 55 ALA MB . . 2.720 1.936 1.905 1.959 . 0 0 "[ . 1 . 2]" 1 44 1 51 GLU HB3 1 79 ILE MD . . 4.120 2.568 2.310 2.832 . 0 0 "[ . 1 . 2]" 1 45 1 4 ILE MD 1 50 ALA HA . . 3.090 2.470 2.408 2.538 . 0 0 "[ . 1 . 2]" 1 46 1 4 ILE MD 1 33 GLU HA . . 4.840 4.733 4.680 4.780 . 0 0 "[ . 1 . 2]" 1 47 1 4 ILE MD 1 55 ALA H . . 3.990 3.772 3.718 3.861 . 0 0 "[ . 1 . 2]" 1 48 1 4 ILE MD 1 35 ARG HE . . 4.450 3.000 2.651 3.519 . 0 0 "[ . 1 . 2]" 1 49 1 5 VAL HA 1 59 VAL HB . . 4.290 2.777 2.606 4.386 0.096 19 0 "[ . 1 . 2]" 1 50 1 6 VAL HA 1 35 ARG HG2 . . 4.320 3.030 2.943 3.102 . 0 0 "[ . 1 . 2]" 1 51 1 6 VAL HA 1 6 VAL MG1 . . 3.220 2.284 2.232 2.344 . 0 0 "[ . 1 . 2]" 1 52 1 5 VAL HB 1 35 ARG H . . 4.460 4.179 3.986 4.241 . 0 0 "[ . 1 . 2]" 1 53 1 5 VAL HB 1 34 ILE HA . . 3.750 2.945 2.636 3.049 . 0 0 "[ . 1 . 2]" 1 54 1 61 VAL HA 1 89 VAL H . . 3.930 3.270 3.112 3.408 . 0 0 "[ . 1 . 2]" 1 55 1 7 ILE HG13 1 61 VAL HA . . 4.780 4.877 4.843 4.901 0.121 4 0 "[ . 1 . 2]" 1 56 1 6 VAL HB 1 60 ILE HA . . 3.890 2.597 2.520 2.671 . 0 0 "[ . 1 . 2]" 1 57 1 6 VAL HA 1 6 VAL MG2 . . 3.220 2.406 2.322 2.468 . 0 0 "[ . 1 . 2]" 1 58 1 37 VAL MG2 1 43 ALA MB . . 2.820 1.997 1.948 2.052 . 0 0 "[ . 1 . 2]" 1 59 1 7 ILE HA 1 8 VAL H . . 3.360 2.213 2.156 2.253 . 0 0 "[ . 1 . 2]" 1 60 1 7 ILE H 1 7 ILE HB . . 3.810 2.782 2.726 2.830 . 0 0 "[ . 1 . 2]" 1 61 1 7 ILE H 1 7 ILE HG12 . . 4.610 4.465 4.429 4.550 . 0 0 "[ . 1 . 2]" 1 62 1 7 ILE H 1 7 ILE MG . . 4.070 3.945 3.919 3.965 . 0 0 "[ . 1 . 2]" 1 63 1 7 ILE H 1 7 ILE MD . . 3.770 2.524 2.485 2.590 . 0 0 "[ . 1 . 2]" 1 64 1 7 ILE HA 1 7 ILE MG . . 3.170 2.315 2.224 2.356 . 0 0 "[ . 1 . 2]" 1 65 1 7 ILE HA 1 7 ILE HG13 . . 4.030 2.547 2.511 2.583 . 0 0 "[ . 1 . 2]" 1 66 1 7 ILE HA 1 7 ILE HG12 . . 4.090 3.656 3.640 3.683 . 0 0 "[ . 1 . 2]" 1 67 1 7 ILE HA 1 13 ALA MB . . 5.180 5.001 4.549 5.259 0.079 13 0 "[ . 1 . 2]" 1 68 1 7 ILE HA 1 61 VAL HB . . 3.460 2.269 2.189 2.360 . 0 0 "[ . 1 . 2]" 1 69 1 7 ILE HB 1 8 VAL H . . 4.790 4.111 3.987 4.243 . 0 0 "[ . 1 . 2]" 1 70 1 7 ILE HB 1 8 VAL HA . . 5.150 5.099 5.047 5.153 0.003 7 0 "[ . 1 . 2]" 1 71 1 7 ILE HG13 1 36 THR HA . . 5.340 5.363 5.342 5.379 0.039 13 0 "[ . 1 . 2]" 1 72 1 35 ARG HG3 1 36 THR H . . 4.750 4.272 4.226 4.331 . 0 0 "[ . 1 . 2]" 1 73 1 7 ILE HG13 1 8 VAL H . . 4.770 4.547 4.476 4.608 . 0 0 "[ . 1 . 2]" 1 74 1 87 ILE HG13 1 99 VAL H . . 5.270 5.052 4.768 5.273 0.003 13 0 "[ . 1 . 2]" 1 75 1 7 ILE HG12 1 22 ALA H . . 5.160 4.628 4.469 4.820 . 0 0 "[ . 1 . 2]" 1 76 1 87 ILE H 1 87 ILE HG13 . . 4.010 4.030 4.020 4.040 0.030 5 0 "[ . 1 . 2]" 1 77 1 60 ILE H 1 87 ILE HG13 . . 4.850 4.823 4.737 4.860 0.010 11 0 "[ . 1 . 2]" 1 78 1 6 VAL H 1 60 ILE MG . . 4.430 4.224 4.156 4.321 . 0 0 "[ . 1 . 2]" 1 79 1 58 VAL H 1 79 ILE MG . . 4.430 4.455 4.442 4.477 0.047 2 0 "[ . 1 . 2]" 1 80 1 7 ILE MG 1 8 VAL H . . 3.380 2.512 2.354 2.711 . 0 0 "[ . 1 . 2]" 1 81 1 79 ILE H 1 79 ILE MG . . 4.220 3.849 3.822 3.877 . 0 0 "[ . 1 . 2]" 1 82 1 79 ILE MG 1 80 ALA H . . 4.530 3.911 3.871 3.956 . 0 0 "[ . 1 . 2]" 1 83 1 79 ILE MG 1 86 THR HA . . 4.710 4.720 4.674 4.736 0.026 4 0 "[ . 1 . 2]" 1 84 1 7 ILE MG 1 36 THR HA . . 4.420 4.255 4.195 4.341 . 0 0 "[ . 1 . 2]" 1 85 1 60 ILE HA 1 60 ILE MG . . 3.210 2.271 2.237 2.319 . 0 0 "[ . 1 . 2]" 1 86 1 7 ILE MG 1 18 LEU HA . . 3.600 2.391 2.256 2.660 . 0 0 "[ . 1 . 2]" 1 87 1 7 ILE HG12 1 7 ILE MG . . 2.840 2.123 2.110 2.152 . 0 0 "[ . 1 . 2]" 1 88 1 79 ILE MG 1 84 ALA MB . . 2.720 1.955 1.937 1.969 . 0 0 "[ . 1 . 2]" 1 89 1 79 ILE HG13 1 79 ILE MG . . 2.770 2.279 2.258 2.296 . 0 0 "[ . 1 . 2]" 1 90 1 60 ILE MG 1 72 ALA MB . . 2.850 2.076 2.026 2.128 . 0 0 "[ . 1 . 2]" 1 91 1 7 ILE MD 1 36 THR MG . . 3.330 2.427 2.282 2.574 . 0 0 "[ . 1 . 2]" 1 92 1 7 ILE MD 1 22 ALA MB . . 3.270 3.273 3.248 3.299 0.029 4 0 "[ . 1 . 2]" 1 93 1 7 ILE HB 1 7 ILE MD . . 2.960 2.283 2.256 2.328 . 0 0 "[ . 1 . 2]" 1 94 1 7 ILE MD 1 35 ARG HD3 . . 4.930 4.692 4.603 4.846 . 0 0 "[ . 1 . 2]" 1 95 1 7 ILE MD 1 22 ALA HA . . 3.790 3.822 3.795 3.847 0.057 19 0 "[ . 1 . 2]" 1 96 1 7 ILE HA 1 7 ILE MD . . 3.440 3.480 3.465 3.496 0.056 3 0 "[ . 1 . 2]" 1 97 1 7 ILE MD 1 22 ALA H . . 4.050 3.927 3.834 4.047 . 0 0 "[ . 1 . 2]" 1 98 1 7 ILE MD 1 36 THR H . . 4.560 4.584 4.569 4.599 0.039 15 0 "[ . 1 . 2]" 1 99 1 7 ILE MD 1 61 VAL H . . 4.460 4.490 4.351 4.513 0.053 17 0 "[ . 1 . 2]" 1 100 1 6 VAL H 1 7 ILE MD . . 4.760 3.823 3.744 4.035 . 0 0 "[ . 1 . 2]" 1 101 1 22 ALA HA 1 34 ILE HA . . 5.230 4.995 4.949 5.056 . 0 0 "[ . 1 . 2]" 1 102 1 22 ALA HA 1 34 ILE MD . . 4.540 3.997 3.879 4.078 . 0 0 "[ . 1 . 2]" 1 103 1 25 ALA HA 1 29 VAL MG2 . . 3.930 2.633 2.534 2.749 . 0 0 "[ . 1 . 2]" 1 104 1 25 ALA MB 1 34 ILE MG . . 3.160 2.402 2.317 2.522 . 0 0 "[ . 1 . 2]" 1 105 1 57 ILE MG 1 102 ALA MB . . 2.600 2.314 2.180 2.435 . 0 0 "[ . 1 . 2]" 1 106 1 87 ILE HG13 1 102 ALA MB . . 2.990 2.657 2.506 2.868 . 0 0 "[ . 1 . 2]" 1 107 1 46 VAL HB 1 47 ALA HA . . 4.610 4.563 4.460 4.647 0.037 13 0 "[ . 1 . 2]" 1 108 1 22 ALA MB 1 35 ARG H . . 5.180 4.969 4.879 5.053 . 0 0 "[ . 1 . 2]" 1 109 1 61 VAL H 1 72 ALA MB . . 5.500 4.791 4.618 5.352 . 0 0 "[ . 1 . 2]" 1 110 1 25 ALA MB 1 34 ILE MD . . 2.610 2.096 2.032 2.140 . 0 0 "[ . 1 . 2]" 1 111 1 22 ALA MB 1 34 ILE HB . . 3.220 2.938 2.872 2.982 . 0 0 "[ . 1 . 2]" 1 112 1 22 ALA MB 1 34 ILE HA . . 4.910 4.929 4.906 4.952 0.042 12 0 "[ . 1 . 2]" 1 113 1 22 ALA MB 1 35 ARG HA . . 5.210 4.501 4.304 4.676 . 0 0 "[ . 1 . 2]" 1 114 1 25 ALA MB 1 26 LYS H . . 4.000 2.367 2.315 2.395 . 0 0 "[ . 1 . 2]" 1 115 1 25 ALA MB 1 34 ILE H . . 5.390 5.361 5.316 5.392 0.002 13 0 "[ . 1 . 2]" 1 116 1 3 VAL H 1 32 ALA HA . . 4.450 2.928 2.695 3.058 . 0 0 "[ . 1 . 2]" 1 117 1 31 ASP H 1 32 ALA HA . . 5.040 4.824 4.713 4.909 . 0 0 "[ . 1 . 2]" 1 118 1 4 ILE HA 1 32 ALA HA . . 4.200 4.098 4.006 4.171 . 0 0 "[ . 1 . 2]" 1 119 1 3 VAL HB 1 32 ALA HA . . 3.850 3.173 3.019 3.376 . 0 0 "[ . 1 . 2]" 1 120 1 29 VAL MG2 1 32 ALA MB . . 3.500 2.017 1.974 2.076 . 0 0 "[ . 1 . 2]" 1 121 1 3 VAL HB 1 32 ALA MB . . 3.210 2.135 2.060 2.263 . 0 0 "[ . 1 . 2]" 1 122 1 32 ALA MB 1 34 ILE HG12 . . 3.820 3.690 3.477 3.834 0.014 18 0 "[ . 1 . 2]" 1 123 1 29 VAL HB 1 32 ALA MB . . 3.210 2.167 2.089 2.238 . 0 0 "[ . 1 . 2]" 1 124 1 31 ASP HB2 1 32 ALA MB . . 5.030 5.029 4.858 5.066 0.036 20 0 "[ . 1 . 2]" 1 125 1 4 ILE HA 1 32 ALA MB . . 3.630 2.992 2.845 3.102 . 0 0 "[ . 1 . 2]" 1 126 1 32 ALA H 1 32 ALA MB . . 2.940 2.208 2.175 2.264 . 0 0 "[ . 1 . 2]" 1 127 1 4 ILE H 1 32 ALA MB . . 4.460 4.024 3.928 4.129 . 0 0 "[ . 1 . 2]" 1 128 1 4 ILE H 1 32 ALA HA . . 5.170 5.172 5.128 5.194 0.024 11 0 "[ . 1 . 2]" 1 129 1 31 ASP H 1 32 ALA MB . . 4.010 3.761 3.676 3.865 . 0 0 "[ . 1 . 2]" 1 130 1 3 VAL H 1 32 ALA MB . . 4.010 3.565 3.443 3.649 . 0 0 "[ . 1 . 2]" 1 131 1 43 ALA H 1 43 ALA MB . . 2.820 2.185 2.117 2.243 . 0 0 "[ . 1 . 2]" 1 132 1 42 ASP HB3 1 43 ALA HA . . 4.870 4.465 4.347 4.529 . 0 0 "[ . 1 . 2]" 1 133 1 42 ASP HB2 1 43 ALA HA . . 4.910 4.574 4.290 4.761 . 0 0 "[ . 1 . 2]" 1 134 1 37 VAL HB 1 43 ALA HA . . 3.900 3.077 2.919 3.169 . 0 0 "[ . 1 . 2]" 1 135 1 22 ALA HA 1 34 ILE MG . . 3.070 1.911 1.888 1.935 . 0 0 "[ . 1 . 2]" 1 136 1 37 VAL MG2 1 43 ALA HA . . 3.110 2.844 2.738 2.930 . 0 0 "[ . 1 . 2]" 1 137 1 37 VAL MG1 1 43 ALA MB . . 2.820 2.895 2.876 2.914 0.094 1 0 "[ . 1 . 2]" 1 138 1 42 ASP HB3 1 43 ALA MB . . 4.820 4.758 4.654 4.843 0.023 6 0 "[ . 1 . 2]" 1 139 1 42 ASP HB2 1 43 ALA MB . . 4.140 4.152 3.969 4.226 0.086 11 0 "[ . 1 . 2]" 1 140 1 43 ALA MB 1 75 VAL HA . . 3.570 3.420 3.267 3.495 . 0 0 "[ . 1 . 2]" 1 141 1 40 LYS H 1 43 ALA MB . . 4.820 4.626 4.554 4.719 . 0 0 "[ . 1 . 2]" 1 142 1 38 THR H 1 43 ALA MB . . 5.470 5.117 5.021 5.292 . 0 0 "[ . 1 . 2]" 1 143 1 25 ALA HA 1 28 GLU H . . 4.120 3.593 3.488 3.664 . 0 0 "[ . 1 . 2]" 1 144 1 47 ALA HA 1 75 VAL HA . . 4.910 4.689 4.619 4.732 . 0 0 "[ . 1 . 2]" 1 145 1 47 ALA MB 1 79 ILE HG12 . . 3.040 2.274 2.211 2.337 . 0 0 "[ . 1 . 2]" 1 146 1 51 GLU HB3 1 82 ALA MB . . 3.310 2.403 2.282 2.511 . 0 0 "[ . 1 . 2]" 1 147 1 51 GLU HA 1 82 ALA MB . . 3.410 3.010 2.657 3.210 . 0 0 "[ . 1 . 2]" 1 148 1 81 ARG H 1 82 ALA MB . . 4.060 4.081 4.067 4.101 0.041 1 0 "[ . 1 . 2]" 1 149 1 50 ALA HA 1 52 ARG H . . 4.470 3.888 3.823 3.973 . 0 0 "[ . 1 . 2]" 1 150 1 50 ALA HA 1 55 ALA H . . 4.480 3.854 3.772 3.936 . 0 0 "[ . 1 . 2]" 1 151 1 50 ALA HA 1 51 GLU HA . . 5.030 4.684 4.632 4.729 . 0 0 "[ . 1 . 2]" 1 152 1 49 GLU HB2 1 50 ALA HA . . 5.500 5.457 5.407 5.539 0.039 16 0 "[ . 1 . 2]" 1 153 1 50 ALA HA 1 53 ARG HG2 . . 4.220 2.382 2.273 2.515 . 0 0 "[ . 1 . 2]" 1 154 1 50 ALA HA 1 55 ALA MB . . 3.480 3.183 3.116 3.235 . 0 0 "[ . 1 . 2]" 1 155 1 4 ILE MD 1 50 ALA MB . . 2.800 1.885 1.867 1.906 . 0 0 "[ . 1 . 2]" 1 156 1 50 ALA MB 1 79 ILE MD . . 3.170 1.964 1.928 1.998 . 0 0 "[ . 1 . 2]" 1 157 1 50 ALA MB 1 79 ILE MG . . 3.330 3.361 3.348 3.371 0.041 12 0 "[ . 1 . 2]" 1 158 1 50 ALA MB 1 55 ALA MB . . 2.970 2.169 2.082 2.213 . 0 0 "[ . 1 . 2]" 1 159 1 50 ALA MB 1 79 ILE HG13 . . 3.210 3.082 3.030 3.213 0.003 17 0 "[ . 1 . 2]" 1 160 1 50 ALA MB 1 53 ARG HG2 . . 3.820 3.862 3.838 3.885 0.065 17 0 "[ . 1 . 2]" 1 161 1 50 ALA MB 1 51 GLU HB3 . . 4.160 4.043 3.944 4.179 0.019 7 0 "[ . 1 . 2]" 1 162 1 47 ALA HA 1 50 ALA MB . . 3.180 2.369 2.287 2.528 . 0 0 "[ . 1 . 2]" 1 163 1 50 ALA MB 1 51 GLU HA . . 3.910 3.941 3.923 3.955 0.045 12 0 "[ . 1 . 2]" 1 164 1 50 ALA MB 1 54 ASN HA . . 5.000 4.970 4.909 5.029 0.029 10 0 "[ . 1 . 2]" 1 165 1 50 ALA MB 1 58 VAL HA . . 5.400 5.364 5.298 5.414 0.014 6 0 "[ . 1 . 2]" 1 166 1 4 ILE HA 1 50 ALA MB . . 5.500 5.597 5.572 5.619 0.119 1 0 "[ . 1 . 2]" 1 167 1 50 ALA MB 1 55 ALA H . . 3.710 3.303 3.189 3.371 . 0 0 "[ . 1 . 2]" 1 168 1 50 ALA MB 1 52 ARG H . . 4.270 4.350 4.331 4.379 0.109 17 0 "[ . 1 . 2]" 1 169 1 55 ALA HA 1 56 ASP H . . 3.550 2.273 2.213 2.300 . 0 0 "[ . 1 . 2]" 1 170 1 55 ALA MB 1 56 ASP H . . 3.760 3.592 3.561 3.615 . 0 0 "[ . 1 . 2]" 1 171 1 2 ARG H 1 55 ALA HA . . 5.410 4.517 4.385 4.692 . 0 0 "[ . 1 . 2]" 1 172 1 54 ASN H 1 55 ALA HA . . 5.080 5.092 5.065 5.106 0.026 16 0 "[ . 1 . 2]" 1 173 1 55 ALA HA 1 56 ASP HA . . 4.810 4.548 4.514 4.598 . 0 0 "[ . 1 . 2]" 1 174 1 54 ASN HA 1 55 ALA HA . . 4.570 4.582 4.554 4.597 0.027 3 0 "[ . 1 . 2]" 1 175 1 2 ARG HD3 1 55 ALA HA . . 4.610 3.921 3.744 4.067 . 0 0 "[ . 1 . 2]" 1 176 1 55 ALA HA 1 56 ASP HB2 . . 4.750 4.278 4.130 4.350 . 0 0 "[ . 1 . 2]" 1 177 1 50 ALA MB 1 55 ALA HA . . 4.700 4.594 4.454 4.662 . 0 0 "[ . 1 . 2]" 1 178 1 55 ALA HA 1 79 ILE MG . . 5.500 5.459 5.372 5.516 0.016 2 0 "[ . 1 . 2]" 1 179 1 4 ILE MD 1 55 ALA HA . . 4.130 3.795 3.701 3.862 . 0 0 "[ . 1 . 2]" 1 180 1 4 ILE HG13 1 55 ALA MB . . 3.260 2.115 2.079 2.144 . 0 0 "[ . 1 . 2]" 1 181 1 4 ILE HB 1 55 ALA MB . . 3.400 2.376 2.319 2.450 . 0 0 "[ . 1 . 2]" 1 182 1 53 ARG HG2 1 55 ALA MB . . 3.900 3.633 3.355 3.855 . 0 0 "[ . 1 . 2]" 1 183 1 2 ARG HD2 1 55 ALA MB . . 4.400 3.314 3.187 3.517 . 0 0 "[ . 1 . 2]" 1 184 1 54 ASN HA 1 55 ALA MB . . 4.300 4.085 4.044 4.109 . 0 0 "[ . 1 . 2]" 1 185 1 55 ALA MB 1 56 ASP HA . . 4.890 4.673 4.614 4.760 . 0 0 "[ . 1 . 2]" 1 186 1 3 VAL HA 1 55 ALA MB . . 4.100 4.070 3.973 4.134 0.034 12 0 "[ . 1 . 2]" 1 187 1 54 ASN H 1 55 ALA MB . . 4.500 4.258 4.208 4.335 . 0 0 "[ . 1 . 2]" 1 188 1 53 ARG H 1 55 ALA MB . . 5.170 5.063 4.910 5.183 0.013 12 0 "[ . 1 . 2]" 1 189 1 4 ILE H 1 55 ALA MB . . 4.190 3.661 3.576 3.741 . 0 0 "[ . 1 . 2]" 1 190 1 55 ALA MB 1 59 VAL H . . 5.500 5.502 5.471 5.521 0.021 7 0 "[ . 1 . 2]" 1 191 1 55 ALA MB 1 58 VAL H . . 4.670 4.686 4.646 4.704 0.034 16 0 "[ . 1 . 2]" 1 192 1 72 ALA HA 1 75 VAL H . . 4.110 3.698 3.617 3.754 . 0 0 "[ . 1 . 2]" 1 193 1 43 ALA HA 1 75 VAL HA . . 4.840 4.521 4.444 4.581 . 0 0 "[ . 1 . 2]" 1 194 1 72 ALA HA 1 75 VAL HB . . 3.720 3.176 3.105 3.238 . 0 0 "[ . 1 . 2]" 1 195 1 60 ILE MG 1 72 ALA HA . . 3.170 2.254 2.083 2.522 . 0 0 "[ . 1 . 2]" 1 196 1 98 ALA MB 1 99 VAL HA . . 3.750 3.844 3.823 3.873 0.123 9 0 "[ . 1 . 2]" 1 197 1 63 PRO HD2 1 72 ALA MB . . 4.100 4.108 3.984 4.151 0.051 10 0 "[ . 1 . 2]" 1 198 1 72 ALA MB 1 88 GLU HA . . 4.960 4.511 4.140 4.882 . 0 0 "[ . 1 . 2]" 1 199 1 102 ALA H 1 102 ALA MB . . 2.890 2.438 2.375 2.532 . 0 0 "[ . 1 . 2]" 1 200 1 80 ALA HA 1 84 ALA H . . 4.710 3.883 3.701 4.418 . 0 0 "[ . 1 . 2]" 1 201 1 79 ILE HA 1 80 ALA HA . . 5.190 4.802 4.764 4.842 . 0 0 "[ . 1 . 2]" 1 202 1 80 ALA HA 1 86 THR MG . . 5.050 5.072 5.053 5.090 0.040 15 0 "[ . 1 . 2]" 1 203 1 79 ILE MG 1 80 ALA HA . . 4.000 3.969 3.882 4.007 0.007 12 0 "[ . 1 . 2]" 1 204 1 100 ALA H 1 100 ALA MB . . 2.720 2.230 2.209 2.259 . 0 0 "[ . 1 . 2]" 1 205 1 100 ALA MB 1 101 LYS H . . 3.030 2.648 2.539 2.715 . 0 0 "[ . 1 . 2]" 1 206 1 82 ALA HA 1 83 GLY HA3 . . 4.540 4.574 4.565 4.586 0.046 20 0 "[ . 1 . 2]" 1 207 1 82 ALA HA 1 84 ALA H . . 5.350 5.219 4.985 5.278 . 0 0 "[ . 1 . 2]" 1 208 1 51 GLU HB3 1 82 ALA HA . . 4.680 4.518 4.349 4.681 0.001 20 0 "[ . 1 . 2]" 1 209 1 51 GLU HB2 1 82 ALA HA . . 4.250 3.813 3.599 4.095 . 0 0 "[ . 1 . 2]" 1 210 1 13 ALA HA 1 63 PRO HB3 . . 4.250 3.124 2.176 4.216 . 0 0 "[ . 1 . 2]" 1 211 1 79 ILE MD 1 82 ALA HA . . 5.280 5.049 4.991 5.134 . 0 0 "[ . 1 . 2]" 1 212 1 79 ILE MG 1 82 ALA HA . . 5.020 5.007 4.949 5.031 0.011 9 0 "[ . 1 . 2]" 1 213 1 47 ALA MB 1 78 ILE HG13 . . 3.500 3.009 2.967 3.074 . 0 0 "[ . 1 . 2]" 1 214 1 81 ARG H 1 82 ALA HA . . 5.050 5.021 4.993 5.051 0.001 17 0 "[ . 1 . 2]" 1 215 1 84 ALA H 1 84 ALA MB . . 3.150 2.333 2.120 2.394 . 0 0 "[ . 1 . 2]" 1 216 1 84 ALA MB 1 85 LYS H . . 3.310 2.152 1.978 2.264 . 0 0 "[ . 1 . 2]" 1 217 1 82 ALA MB 1 84 ALA HA . . 5.500 5.528 5.510 5.542 0.042 7 0 "[ . 1 . 2]" 1 218 1 84 ALA HA 1 85 LYS HG3 . . 5.500 5.409 5.298 5.534 0.034 4 0 "[ . 1 . 2]" 1 219 1 82 ALA MB 1 84 ALA MB . . 3.360 3.354 3.290 3.379 0.019 4 0 "[ . 1 . 2]" 1 220 1 84 ALA HA 1 85 LYS HB3 . . 4.760 4.412 4.190 4.556 . 0 0 "[ . 1 . 2]" 1 221 1 79 ILE HB 1 84 ALA MB . . 4.310 4.186 4.154 4.209 . 0 0 "[ . 1 . 2]" 1 222 1 83 GLY HA3 1 84 ALA HA . . 4.900 4.632 4.574 4.682 . 0 0 "[ . 1 . 2]" 1 223 1 56 ASP HA 1 84 ALA MB . . 4.020 2.689 2.538 3.043 . 0 0 "[ . 1 . 2]" 1 224 1 57 ILE HA 1 84 ALA MB . . 3.950 3.531 3.481 3.625 . 0 0 "[ . 1 . 2]" 1 225 1 57 ILE HA 1 84 ALA HA . . 5.280 5.297 5.281 5.312 0.032 1 0 "[ . 1 . 2]" 1 226 1 57 ILE H 1 84 ALA MB . . 4.500 4.146 4.045 4.231 . 0 0 "[ . 1 . 2]" 1 227 1 83 GLY H 1 84 ALA MB . . 4.070 3.875 3.822 3.917 . 0 0 "[ . 1 . 2]" 1 228 1 84 ALA MB 1 86 THR H . . 4.800 4.861 4.844 4.874 0.074 20 0 "[ . 1 . 2]" 1 229 1 56 ASP H 1 84 ALA MB . . 4.640 4.300 4.133 4.489 . 0 0 "[ . 1 . 2]" 1 230 1 87 ILE HB 1 98 ALA HA . . 3.920 3.798 3.516 3.967 0.047 3 0 "[ . 1 . 2]" 1 231 1 87 ILE MD 1 102 ALA MB . . 2.490 1.887 1.852 1.911 . 0 0 "[ . 1 . 2]" 1 232 1 99 VAL HB 1 100 ALA HA . . 4.370 4.358 3.753 4.418 0.048 3 0 "[ . 1 . 2]" 1 233 1 102 ALA HA 1 105 SER H . . 3.840 3.442 3.325 3.589 . 0 0 "[ . 1 . 2]" 1 234 1 102 ALA HA 1 106 TRP HB3 . . 5.450 5.213 4.989 5.420 . 0 0 "[ . 1 . 2]" 1 235 1 87 ILE MD 1 102 ALA HA . . 4.510 4.300 4.218 4.365 . 0 0 "[ . 1 . 2]" 1 236 1 57 ILE MG 1 102 ALA HA . . 4.210 4.100 3.944 4.243 0.033 6 0 "[ . 1 . 2]" 1 237 1 87 ILE HB 1 98 ALA MB . . 3.550 2.895 2.525 3.175 . 0 0 "[ . 1 . 2]" 1 238 1 54 ASN H 1 54 ASN HB3 . . 4.160 4.099 4.081 4.118 . 0 0 "[ . 1 . 2]" 1 239 1 54 ASN HA 1 79 ILE MD . . 5.500 5.228 5.100 5.397 . 0 0 "[ . 1 . 2]" 1 240 1 54 ASN HB3 1 55 ALA MB . . 5.500 5.475 5.439 5.502 0.002 18 0 "[ . 1 . 2]" 1 241 1 2 ARG HB2 1 54 ASN HB3 . . 5.170 5.239 5.193 5.262 0.092 12 0 "[ . 1 . 2]" 1 242 1 53 ARG HG2 1 54 ASN HB2 . . 5.260 5.344 5.312 5.391 0.131 17 0 "[ . 1 . 2]" 1 243 1 54 ASN HB3 1 55 ALA HA . . 5.160 5.165 5.011 5.209 0.049 18 0 "[ . 1 . 2]" 1 244 1 54 ASN HB2 1 55 ALA HA . . 5.500 5.515 5.480 5.587 0.087 4 0 "[ . 1 . 2]" 1 245 1 51 GLU HA 1 54 ASN HB2 . . 5.500 5.551 5.527 5.572 0.072 5 0 "[ . 1 . 2]" 1 246 1 2 ARG HE 1 54 ASN HB3 . . 5.500 5.101 4.771 5.496 . 0 0 "[ . 1 . 2]" 1 247 1 2 ARG HE 1 54 ASN HB2 . . 5.500 4.129 3.975 4.412 . 0 0 "[ . 1 . 2]" 1 248 1 53 ARG H 1 54 ASN HB2 . . 5.020 5.070 5.036 5.106 0.086 15 0 "[ . 1 . 2]" 1 249 1 19 ASP HA 1 23 ARG H . . 4.380 4.005 3.932 4.117 . 0 0 "[ . 1 . 2]" 1 250 1 31 ASP HB3 1 32 ALA H . . 3.840 3.103 2.708 3.839 . 0 0 "[ . 1 . 2]" 1 251 1 31 ASP HB2 1 32 ALA H . . 3.840 3.895 3.788 3.928 0.088 7 0 "[ . 1 . 2]" 1 252 1 19 ASP HA 1 22 ALA MB . . 3.740 2.990 2.825 3.117 . 0 0 "[ . 1 . 2]" 1 253 1 19 ASP HA 1 36 THR MG . . 5.330 5.198 5.002 5.339 0.009 10 0 "[ . 1 . 2]" 1 254 1 31 ASP HB3 1 32 ALA MB . . 5.030 3.913 3.630 4.605 . 0 0 "[ . 1 . 2]" 1 255 1 31 ASP H 1 31 ASP HB3 . . 3.420 2.642 2.305 3.307 . 0 0 "[ . 1 . 2]" 1 256 1 19 ASP HB3 1 21 LEU H . . 4.840 4.491 4.345 4.793 . 0 0 "[ . 1 . 2]" 1 257 1 30 PRO HB2 1 31 ASP HA . . 4.750 4.578 4.536 4.626 . 0 0 "[ . 1 . 2]" 1 258 1 30 PRO HG2 1 31 ASP HA . . 4.700 4.676 4.642 4.713 0.013 9 0 "[ . 1 . 2]" 1 259 1 31 ASP HA 1 32 ALA MB . . 5.010 4.937 4.893 4.975 . 0 0 "[ . 1 . 2]" 1 260 1 38 THR H 1 42 ASP HA . . 4.920 4.859 4.749 4.952 0.032 3 0 "[ . 1 . 2]" 1 261 1 38 THR H 1 42 ASP HB2 . . 4.210 2.094 1.955 2.276 . 0 0 "[ . 1 . 2]" 1 262 1 38 THR H 1 42 ASP HB3 . . 4.330 2.793 2.698 2.882 . 0 0 "[ . 1 . 2]" 1 263 1 42 ASP HA 1 45 ARG HE . . 5.120 4.295 2.086 5.189 0.069 18 0 "[ . 1 . 2]" 1 264 1 42 ASP HA 1 43 ALA HA . . 4.910 4.803 4.761 4.842 . 0 0 "[ . 1 . 2]" 1 265 1 37 VAL MG2 1 42 ASP HA . . 4.900 4.987 4.926 5.033 0.133 1 0 "[ . 1 . 2]" 1 266 1 37 VAL MG1 1 42 ASP HA . . 4.900 4.609 4.339 4.876 . 0 0 "[ . 1 . 2]" 1 267 1 39 THR MG 1 42 ASP HB2 . . 5.360 4.994 4.693 5.376 0.016 16 0 "[ . 1 . 2]" 1 268 1 39 THR HA 1 42 ASP HB2 . . 4.860 4.847 4.756 4.908 0.048 15 0 "[ . 1 . 2]" 1 269 1 41 GLU H 1 42 ASP HB2 . . 5.270 4.622 4.573 4.668 . 0 0 "[ . 1 . 2]" 1 270 1 2 ARG HB3 1 56 ASP HA . . 4.610 4.662 4.630 4.699 0.089 16 0 "[ . 1 . 2]" 1 271 1 56 ASP HB3 1 57 ILE MD . . 5.280 3.715 3.641 3.949 . 0 0 "[ . 1 . 2]" 1 272 1 56 ASP HB2 1 57 ILE MD . . 5.030 5.032 4.522 5.072 0.042 3 0 "[ . 1 . 2]" 1 273 1 56 ASP HB3 1 57 ILE HG12 . . 5.500 3.039 2.974 3.194 . 0 0 "[ . 1 . 2]" 1 274 1 55 ALA MB 1 56 ASP HB2 . . 5.500 5.210 4.989 5.261 . 0 0 "[ . 1 . 2]" 1 275 1 56 ASP HB3 1 57 ILE HG13 . . 5.500 2.528 2.369 2.983 . 0 0 "[ . 1 . 2]" 1 276 1 1 MET HG3 1 56 ASP HB2 . . 4.940 4.420 4.061 4.955 0.015 20 0 "[ . 1 . 2]" 1 277 1 2 ARG HB3 1 56 ASP HB2 . . 5.300 3.201 2.941 3.306 . 0 0 "[ . 1 . 2]" 1 278 1 1 MET HG3 1 56 ASP HB3 . . 5.400 3.461 3.168 4.244 . 0 0 "[ . 1 . 2]" 1 279 1 1 MET HG2 1 56 ASP HB2 . . 4.940 3.789 2.985 4.832 . 0 0 "[ . 1 . 2]" 1 280 1 1 MET HG2 1 56 ASP HB3 . . 5.400 3.184 2.347 4.017 . 0 0 "[ . 1 . 2]" 1 281 1 2 ARG HA 1 56 ASP HB2 . . 5.500 4.487 4.035 4.601 . 0 0 "[ . 1 . 2]" 1 282 1 8 VAL HB 1 62 GLY HA2 . . 4.340 2.678 2.302 2.959 . 0 0 "[ . 1 . 2]" 1 283 1 82 ALA MB 1 83 GLY HA2 . . 4.760 4.668 4.644 4.704 . 0 0 "[ . 1 . 2]" 1 284 1 83 GLY HA3 1 84 ALA MB . . 4.790 4.306 4.253 4.422 . 0 0 "[ . 1 . 2]" 1 285 1 79 ILE MG 1 83 GLY HA3 . . 5.500 5.533 5.520 5.547 0.047 14 0 "[ . 1 . 2]" 1 286 1 82 ALA MB 1 83 GLY HA3 . . 4.480 4.241 4.209 4.280 . 0 0 "[ . 1 . 2]" 1 287 1 104 GLY HA3 1 105 SER H . . 3.480 2.621 2.560 2.683 . 0 0 "[ . 1 . 2]" 1 288 1 104 GLY HA3 1 106 TRP H . . 5.170 4.843 4.765 4.988 . 0 0 "[ . 1 . 2]" 1 289 1 102 ALA H 1 104 GLY HA3 . . 5.410 4.992 4.799 5.132 . 0 0 "[ . 1 . 2]" 1 290 1 104 GLY HA3 1 105 SER HA . . 4.310 4.214 4.116 4.278 . 0 0 "[ . 1 . 2]" 1 291 1 100 ALA MB 1 104 GLY HA3 . . 4.890 3.642 3.395 3.791 . 0 0 "[ . 1 . 2]" 1 292 1 109 GLU H 1 110 HIS HA . . 5.270 5.221 5.046 5.309 0.039 13 0 "[ . 1 . 2]" 1 293 1 110 HIS HA 1 110 HIS HD2 . . 4.710 4.249 4.009 4.557 . 0 0 "[ . 1 . 2]" 1 294 1 106 TRP HZ3 1 110 HIS HB3 . . 5.500 4.370 3.527 5.066 . 0 0 "[ . 1 . 2]" 1 295 1 106 TRP HH2 1 110 HIS HB3 . . 5.500 3.994 3.360 4.648 . 0 0 "[ . 1 . 2]" 1 296 1 106 TRP HZ3 1 110 HIS HB2 . . 5.500 3.888 2.931 5.501 0.001 18 0 "[ . 1 . 2]" 1 297 1 106 TRP HH2 1 110 HIS HB2 . . 5.500 4.045 3.531 4.833 . 0 0 "[ . 1 . 2]" 1 298 1 110 HIS HB2 1 111 HIS H . . 5.500 3.777 2.583 4.457 . 0 0 "[ . 1 . 2]" 1 299 1 110 HIS HB3 1 111 HIS H . . 5.500 4.177 3.512 4.447 . 0 0 "[ . 1 . 2]" 1 300 1 2 ARG HA 1 57 ILE H . . 5.440 5.246 5.211 5.293 . 0 0 "[ . 1 . 2]" 1 301 1 111 HIS HA 1 111 HIS HD2 . . 4.420 3.878 2.783 4.516 0.096 12 0 "[ . 1 . 2]" 1 302 1 112 HIS HA 1 112 HIS HD2 . . 3.920 3.329 2.454 4.019 0.099 13 0 "[ . 1 . 2]" 1 303 1 64 SER HA 1 90 THR MG . . 3.790 2.119 1.953 2.380 . 0 0 "[ . 1 . 2]" 1 304 1 64 SER HA 1 91 THR H . . 5.500 5.173 4.634 5.531 0.031 17 0 "[ . 1 . 2]" 1 305 1 106 TRP HE3 1 107 SER HB2 . . 4.600 4.197 4.030 4.440 . 0 0 "[ . 1 . 2]" 1 306 1 69 SER HA 1 72 ALA MB . . 4.390 3.956 3.566 4.378 . 0 0 "[ . 1 . 2]" 1 307 1 63 PRO HD2 1 69 SER HA . . 4.740 3.976 3.198 4.662 . 0 0 "[ . 1 . 2]" 1 308 1 68 LYS HD3 1 69 SER HA . . 5.150 4.026 2.633 5.251 0.101 11 0 "[ . 1 . 2]" 1 309 1 69 SER HA 1 71 LEU HB2 . . 4.690 4.600 3.992 4.727 0.037 10 0 "[ . 1 . 2]" 1 310 1 106 TRP HA 1 106 TRP HE3 . . 4.310 4.228 4.022 4.322 0.012 7 0 "[ . 1 . 2]" 1 311 1 106 TRP HZ3 1 107 SER HB2 . . 5.500 5.407 4.934 5.574 0.074 3 0 "[ . 1 . 2]" 1 312 1 106 TRP HA 1 106 TRP HD1 . . 4.340 3.496 3.355 3.636 . 0 0 "[ . 1 . 2]" 1 313 1 106 TRP HA 1 110 HIS HD2 . . 4.830 3.447 2.394 4.873 0.043 18 0 "[ . 1 . 2]" 1 314 1 105 SER HA 1 108 LEU HB3 . . 4.180 3.143 2.844 3.372 . 0 0 "[ . 1 . 2]" 1 315 1 105 SER HA 1 109 GLU HG3 . . 4.750 4.143 3.785 4.508 . 0 0 "[ . 1 . 2]" 1 316 1 106 TRP HA 1 109 GLU HG3 . . 5.350 2.523 2.102 2.994 . 0 0 "[ . 1 . 2]" 1 317 1 106 TRP HE3 1 107 SER HA . . 3.830 2.536 2.400 2.627 . 0 0 "[ . 1 . 2]" 1 318 1 107 SER HB3 1 108 LEU H . . 4.280 4.214 4.008 4.335 0.055 9 0 "[ . 1 . 2]" 1 319 1 106 TRP HE3 1 107 SER HB3 . . 4.600 3.643 2.832 4.175 . 0 0 "[ . 1 . 2]" 1 320 1 106 TRP HZ3 1 107 SER HA . . 4.510 3.411 3.184 3.803 . 0 0 "[ . 1 . 2]" 1 321 1 107 SER HA 1 110 HIS HD2 . . 5.500 4.048 2.152 5.172 . 0 0 "[ . 1 . 2]" 1 322 1 106 TRP HB3 1 107 SER HA . . 4.940 4.357 4.274 4.417 . 0 0 "[ . 1 . 2]" 1 323 1 106 TRP HZ3 1 107 SER HB3 . . 5.500 4.617 4.029 5.151 . 0 0 "[ . 1 . 2]" 1 324 1 57 ILE MD 1 106 TRP HB2 . . 4.470 2.623 2.474 2.771 . 0 0 "[ . 1 . 2]" 1 325 1 57 ILE HG12 1 106 TRP HB3 . . 5.240 4.224 3.965 4.449 . 0 0 "[ . 1 . 2]" 1 326 1 57 ILE HG12 1 106 TRP HB2 . . 5.210 3.646 3.402 3.884 . 0 0 "[ . 1 . 2]" 1 327 1 57 ILE HG13 1 106 TRP HB3 . . 5.500 5.118 4.963 5.347 . 0 0 "[ . 1 . 2]" 1 328 1 57 ILE HG13 1 106 TRP HB2 . . 5.500 5.035 4.852 5.255 . 0 0 "[ . 1 . 2]" 1 329 1 102 ALA MB 1 106 TRP HB3 . . 5.110 5.109 4.972 5.167 0.057 9 0 "[ . 1 . 2]" 1 330 1 102 ALA MB 1 106 TRP HB2 . . 4.920 3.982 3.772 4.118 . 0 0 "[ . 1 . 2]" 1 331 1 85 LYS HG3 1 106 TRP HB2 . . 5.130 4.533 4.333 4.660 . 0 0 "[ . 1 . 2]" 1 332 1 1 MET ME 1 106 TRP HB3 . . 4.670 3.852 3.171 4.688 0.018 16 0 "[ . 1 . 2]" 1 333 1 103 ARG HA 1 106 TRP HB2 . . 4.170 3.963 3.618 4.177 0.007 16 0 "[ . 1 . 2]" 1 334 1 106 TRP HB3 1 106 TRP HZ3 . . 5.380 5.255 5.166 5.362 . 0 0 "[ . 1 . 2]" 1 335 1 106 TRP HB2 1 108 LEU H . . 5.500 5.361 5.269 5.529 0.029 15 0 "[ . 1 . 2]" 1 336 1 106 TRP HB3 1 108 LEU H . . 5.500 4.657 4.575 4.825 . 0 0 "[ . 1 . 2]" 1 337 1 104 GLY H 1 106 TRP HB3 . . 5.500 5.459 5.338 5.525 0.025 15 0 "[ . 1 . 2]" 1 338 1 105 SER H 1 106 TRP HB3 . . 5.500 5.311 5.255 5.374 . 0 0 "[ . 1 . 2]" 1 339 1 106 TRP H 1 106 TRP HB3 . . 3.600 2.702 2.643 2.844 . 0 0 "[ . 1 . 2]" 1 340 1 106 TRP H 1 106 TRP HB2 . . 3.620 2.237 2.182 2.295 . 0 0 "[ . 1 . 2]" 1 341 1 20 GLU HA 1 23 ARG H . . 3.630 3.586 3.496 3.650 0.020 12 0 "[ . 1 . 2]" 1 342 1 27 GLU HB3 1 28 GLU H . . 3.210 3.133 2.450 3.263 0.053 1 0 "[ . 1 . 2]" 1 343 1 27 GLU HB2 1 28 GLU H . . 3.210 2.822 2.636 3.297 0.087 17 0 "[ . 1 . 2]" 1 344 1 48 GLU HB3 1 78 ILE MG . . 3.900 3.176 3.020 3.345 . 0 0 "[ . 1 . 2]" 1 345 1 49 GLU HB3 1 50 ALA MB . . 4.110 3.788 3.752 3.850 . 0 0 "[ . 1 . 2]" 1 346 1 51 GLU HB3 1 52 ARG H . . 4.060 4.160 4.126 4.187 0.127 15 0 "[ . 1 . 2]" 1 347 1 106 TRP H 1 109 GLU HG2 . . 5.500 5.351 5.208 5.523 0.023 5 0 "[ . 1 . 2]" 1 348 1 27 GLU HA 1 30 PRO HA . . 5.270 5.018 4.874 5.187 . 0 0 "[ . 1 . 2]" 1 349 1 27 GLU HA 1 27 GLU HG2 . . 3.230 2.404 2.257 2.551 . 0 0 "[ . 1 . 2]" 1 350 1 27 GLU HA 1 27 GLU HG3 . . 3.230 2.840 2.399 3.452 0.222 14 0 "[ . 1 . 2]" 1 351 1 28 GLU HA 1 30 PRO HD2 . . 4.970 4.630 4.456 4.854 . 0 0 "[ . 1 . 2]" 1 352 1 4 ILE MG 1 33 GLU HA . . 5.080 4.962 4.922 4.985 . 0 0 "[ . 1 . 2]" 1 353 1 4 ILE HG12 1 33 GLU HA . . 4.630 4.202 4.144 4.297 . 0 0 "[ . 1 . 2]" 1 354 1 33 GLU HA 1 34 ILE HG12 . . 3.760 3.623 3.490 3.690 . 0 0 "[ . 1 . 2]" 1 355 1 33 GLU HA 1 34 ILE HA . . 4.500 4.387 4.359 4.408 . 0 0 "[ . 1 . 2]" 1 356 1 5 VAL H 1 33 GLU HA . . 4.980 4.972 4.882 5.024 0.044 15 0 "[ . 1 . 2]" 1 357 1 89 VAL H 1 89 VAL HB . . 3.970 3.706 3.630 3.732 . 0 0 "[ . 1 . 2]" 1 358 1 109 GLU HG3 1 110 HIS HD2 . . 5.500 4.513 3.869 5.542 0.042 3 0 "[ . 1 . 2]" 1 359 1 4 ILE HA 1 33 GLU HB2 . . 4.150 3.538 3.448 3.588 . 0 0 "[ . 1 . 2]" 1 360 1 33 GLU HB3 1 34 ILE H . . 3.940 3.689 3.608 3.795 . 0 0 "[ . 1 . 2]" 1 361 1 33 GLU HB2 1 35 ARG HE . . 5.430 3.661 3.091 3.893 . 0 0 "[ . 1 . 2]" 1 362 1 5 VAL H 1 33 GLU HB2 . . 4.880 4.202 4.115 4.244 . 0 0 "[ . 1 . 2]" 1 363 1 5 VAL H 1 33 GLU HB3 . . 5.500 5.451 5.312 5.514 0.014 15 0 "[ . 1 . 2]" 1 364 1 40 LYS H 1 41 GLU HA . . 5.430 5.461 5.439 5.479 0.049 13 0 "[ . 1 . 2]" 1 365 1 41 GLU HA 1 42 ASP HA . . 4.930 4.790 4.764 4.821 . 0 0 "[ . 1 . 2]" 1 366 1 41 GLU HA 1 41 GLU HG2 . . 3.780 3.748 3.687 3.793 0.013 12 0 "[ . 1 . 2]" 1 367 1 41 GLU HA 1 74 ILE MG . . 5.490 5.089 5.004 5.186 . 0 0 "[ . 1 . 2]" 1 368 1 41 GLU HG3 1 42 ASP HB3 . . 4.780 4.875 4.802 4.925 0.145 10 0 "[ . 1 . 2]" 1 369 1 41 GLU HG3 1 42 ASP HA . . 4.960 3.746 3.671 3.815 . 0 0 "[ . 1 . 2]" 1 370 1 41 GLU HG3 1 43 ALA H . . 4.720 4.755 4.720 4.779 0.059 14 0 "[ . 1 . 2]" 1 371 1 40 LYS H 1 41 GLU HG3 . . 5.500 5.401 5.270 5.510 0.010 4 0 "[ . 1 . 2]" 1 372 1 40 LYS H 1 41 GLU HB3 . . 5.410 5.229 5.102 5.321 . 0 0 "[ . 1 . 2]" 1 373 1 41 GLU HB2 1 42 ASP H . . 3.840 3.709 3.645 3.763 . 0 0 "[ . 1 . 2]" 1 374 1 41 GLU HB2 1 42 ASP HA . . 4.610 4.611 4.577 4.624 0.014 17 0 "[ . 1 . 2]" 1 375 1 48 GLU HA 1 50 ALA H . . 4.630 4.618 4.552 4.653 0.023 19 0 "[ . 1 . 2]" 1 376 1 103 ARG HA 1 106 TRP HB3 . . 3.860 3.711 3.363 3.892 0.032 4 0 "[ . 1 . 2]" 1 377 1 48 GLU HA 1 48 GLU HB3 . . 2.730 2.533 2.509 2.556 . 0 0 "[ . 1 . 2]" 1 378 1 48 GLU HA 1 78 ILE MG . . 3.550 2.889 2.792 2.986 . 0 0 "[ . 1 . 2]" 1 379 1 57 ILE MD 1 103 ARG HA . . 3.630 2.724 2.318 2.999 . 0 0 "[ . 1 . 2]" 1 380 1 48 GLU H 1 48 GLU HG3 . . 3.630 3.591 2.688 3.717 0.087 4 0 "[ . 1 . 2]" 1 381 1 48 GLU H 1 48 GLU HB2 . . 3.580 3.594 3.579 3.607 0.027 17 0 "[ . 1 . 2]" 1 382 1 35 ARG HE 1 49 GLU HB2 . . 5.500 5.579 5.448 5.628 0.128 20 0 "[ . 1 . 2]" 1 383 1 4 ILE MD 1 49 GLU HB3 . . 4.850 4.494 4.366 4.658 . 0 0 "[ . 1 . 2]" 1 384 1 49 GLU HA 1 52 ARG H . . 3.640 3.628 3.446 3.668 0.028 14 0 "[ . 1 . 2]" 1 385 1 73 LYS HA 1 76 LYS H . . 3.780 3.250 3.111 3.756 . 0 0 "[ . 1 . 2]" 1 386 1 73 LYS HA 1 73 LYS HB2 . . 2.920 2.377 2.228 2.670 . 0 0 "[ . 1 . 2]" 1 387 1 73 LYS HA 1 73 LYS HB3 . . 2.920 2.471 2.329 3.006 0.086 14 0 "[ . 1 . 2]" 1 388 1 23 ARG HA 1 23 ARG HG2 . . 2.940 2.709 2.668 2.745 . 0 0 "[ . 1 . 2]" 1 389 1 77 LYS HA 1 80 ALA MB . . 2.740 2.619 2.447 2.742 0.002 1 0 "[ . 1 . 2]" 1 390 1 105 SER HA 1 109 GLU HG2 . . 4.480 4.223 3.897 4.483 0.003 5 0 "[ . 1 . 2]" 1 391 1 51 GLU HA 1 54 ASN H . . 3.540 3.097 2.939 3.214 . 0 0 "[ . 1 . 2]" 1 392 1 51 GLU HA 1 51 GLU HB3 . . 2.860 2.473 2.403 2.547 . 0 0 "[ . 1 . 2]" 1 393 1 52 ARG HA 1 52 ARG HB3 . . 2.470 2.380 2.354 2.403 . 0 0 "[ . 1 . 2]" 1 394 1 88 GLU HA 1 89 VAL H . . 3.320 2.211 2.172 2.256 . 0 0 "[ . 1 . 2]" 1 395 1 60 ILE MG 1 88 GLU HA . . 3.710 3.693 3.621 3.729 0.019 8 0 "[ . 1 . 2]" 1 396 1 76 LYS H 1 76 LYS HB2 . . 2.780 2.575 2.539 2.621 . 0 0 "[ . 1 . 2]" 1 397 1 86 THR MG 1 88 GLU HA . . 5.500 5.410 5.277 5.470 . 0 0 "[ . 1 . 2]" 1 398 1 88 GLU HA 1 98 ALA MB . . 5.500 4.348 4.141 4.583 . 0 0 "[ . 1 . 2]" 1 399 1 109 GLU HB2 1 110 HIS HD2 . . 4.720 3.067 2.567 4.299 . 0 0 "[ . 1 . 2]" 1 400 1 109 GLU HA 1 110 HIS HD2 . . 5.500 5.450 5.286 5.528 0.028 13 0 "[ . 1 . 2]" 1 401 1 109 GLU HA 1 109 GLU HG3 . . 3.810 3.665 3.553 3.751 . 0 0 "[ . 1 . 2]" 1 402 1 109 GLU HA 1 109 GLU HG2 . . 3.260 2.620 2.523 2.732 . 0 0 "[ . 1 . 2]" 1 403 1 109 GLU HB2 1 111 HIS H . . 4.670 4.723 4.651 4.782 0.112 13 0 "[ . 1 . 2]" 1 404 1 106 TRP HA 1 109 GLU HB2 . . 3.780 3.060 2.618 3.447 . 0 0 "[ . 1 . 2]" 1 405 1 40 LYS HA 1 70 THR HB . . 5.500 5.528 5.480 5.560 0.060 15 0 "[ . 1 . 2]" 1 406 1 70 THR HB 1 74 ILE MD . . 3.940 3.022 2.868 3.161 . 0 0 "[ . 1 . 2]" 1 407 1 70 THR HB 1 71 LEU MD1 . . 4.020 2.388 2.234 2.498 . 0 0 "[ . 1 . 2]" 1 408 1 38 THR H 1 39 THR MG . . 4.990 4.660 4.347 5.029 0.039 17 0 "[ . 1 . 2]" 1 409 1 39 THR MG 1 41 GLU H . . 4.190 4.218 4.182 4.249 0.059 10 0 "[ . 1 . 2]" 1 410 1 39 THR H 1 39 THR MG . . 3.580 3.455 3.233 3.606 0.026 14 0 "[ . 1 . 2]" 1 411 1 39 THR HA 1 39 THR MG . . 2.770 2.310 2.180 2.444 . 0 0 "[ . 1 . 2]" 1 412 1 16 THR MG 1 19 ASP HB3 . . 4.500 2.994 2.573 3.435 . 0 0 "[ . 1 . 2]" 1 413 1 16 THR MG 1 19 ASP HB2 . . 4.500 3.590 3.134 4.145 . 0 0 "[ . 1 . 2]" 1 414 1 39 THR MG 1 41 GLU HG3 . . 4.920 4.614 4.288 4.930 0.010 14 0 "[ . 1 . 2]" 1 415 1 16 THR MG 1 20 GLU HB3 . . 3.740 3.057 2.624 3.411 . 0 0 "[ . 1 . 2]" 1 416 1 36 THR HA 1 36 THR MG . . 3.170 2.537 2.500 2.581 . 0 0 "[ . 1 . 2]" 1 417 1 8 VAL HA 1 36 THR HA . . 4.600 4.630 4.611 4.655 0.055 4 0 "[ . 1 . 2]" 1 418 1 7 ILE HG12 1 36 THR HA . . 5.500 5.515 5.492 5.526 0.026 16 0 "[ . 1 . 2]" 1 419 1 35 ARG HG3 1 36 THR HA . . 5.500 5.533 5.516 5.556 0.056 7 0 "[ . 1 . 2]" 1 420 1 35 ARG HB2 1 36 THR HA . . 5.500 4.389 4.310 4.445 . 0 0 "[ . 1 . 2]" 1 421 1 35 ARG HG2 1 36 THR HA . . 5.500 4.297 4.238 4.389 . 0 0 "[ . 1 . 2]" 1 422 1 7 ILE HB 1 36 THR HA . . 3.660 3.057 2.996 3.131 . 0 0 "[ . 1 . 2]" 1 423 1 7 ILE MG 1 36 THR HB . . 3.780 3.791 3.762 3.808 0.028 5 0 "[ . 1 . 2]" 1 424 1 7 ILE HB 1 36 THR HB . . 3.950 3.341 3.221 3.403 . 0 0 "[ . 1 . 2]" 1 425 1 10 PRO HA 1 36 THR HB . . 4.890 4.587 4.046 4.902 0.012 17 0 "[ . 1 . 2]" 1 426 1 36 THR HB 1 37 VAL HA . . 5.270 4.598 4.521 4.691 . 0 0 "[ . 1 . 2]" 1 427 1 7 ILE H 1 36 THR HB . . 4.530 4.213 4.105 4.303 . 0 0 "[ . 1 . 2]" 1 428 1 7 ILE H 1 36 THR MG . . 3.790 3.413 3.308 3.535 . 0 0 "[ . 1 . 2]" 1 429 1 22 ALA H 1 36 THR MG . . 5.160 5.165 5.095 5.189 0.029 2 0 "[ . 1 . 2]" 1 430 1 38 THR MG 1 42 ASP H . . 4.510 4.423 4.075 4.564 0.054 6 0 "[ . 1 . 2]" 1 431 1 38 THR MG 1 43 ALA H . . 5.500 5.499 5.301 5.566 0.066 6 0 "[ . 1 . 2]" 1 432 1 7 ILE HB 1 36 THR MG . . 2.970 2.065 2.043 2.104 . 0 0 "[ . 1 . 2]" 1 433 1 38 THR H 1 38 THR MG . . 3.600 2.245 2.122 2.339 . 0 0 "[ . 1 . 2]" 1 434 1 37 VAL HA 1 38 THR HB . . 4.580 4.251 4.094 4.418 . 0 0 "[ . 1 . 2]" 1 435 1 38 THR HA 1 38 THR MG . . 3.230 3.239 3.220 3.251 0.021 4 0 "[ . 1 . 2]" 1 436 1 37 VAL HA 1 38 THR MG . . 3.660 3.596 3.450 3.695 0.035 15 0 "[ . 1 . 2]" 1 437 1 38 THR MG 1 42 ASP HB2 . . 4.640 3.360 3.039 3.635 . 0 0 "[ . 1 . 2]" 1 438 1 39 THR HB 1 41 GLU HB3 . . 4.680 4.495 4.304 4.698 0.018 10 0 "[ . 1 . 2]" 1 439 1 39 THR HB 1 41 GLU HG3 . . 4.870 3.934 3.795 4.084 . 0 0 "[ . 1 . 2]" 1 440 1 70 THR HA 1 70 THR MG . . 2.740 2.263 2.212 2.305 . 0 0 "[ . 1 . 2]" 1 441 1 70 THR MG 1 71 LEU H . . 4.010 3.944 3.837 3.999 . 0 0 "[ . 1 . 2]" 1 442 1 70 THR HA 1 74 ILE MD . . 4.560 4.424 4.276 4.579 0.019 12 0 "[ . 1 . 2]" 1 443 1 70 THR HA 1 71 LEU MD1 . . 5.500 4.556 4.496 4.629 . 0 0 "[ . 1 . 2]" 1 444 1 70 THR HA 1 71 LEU MD2 . . 5.500 4.718 4.566 4.932 . 0 0 "[ . 1 . 2]" 1 445 1 70 THR H 1 70 THR MG . . 4.070 3.665 3.614 3.808 . 0 0 "[ . 1 . 2]" 1 446 1 70 THR MG 1 74 ILE HA . . 4.820 4.728 4.576 4.839 0.019 6 0 "[ . 1 . 2]" 1 447 1 86 THR HB 1 87 ILE H . . 4.030 3.766 3.728 3.854 . 0 0 "[ . 1 . 2]" 1 448 1 86 THR HA 1 86 THR MG . . 3.340 2.269 2.210 2.315 . 0 0 "[ . 1 . 2]" 1 449 1 85 LYS H 1 86 THR HA . . 5.500 5.119 4.981 5.195 . 0 0 "[ . 1 . 2]" 1 450 1 86 THR HA 1 87 ILE HA . . 4.670 4.430 4.396 4.463 . 0 0 "[ . 1 . 2]" 1 451 1 58 VAL HB 1 86 THR HA . . 4.040 3.558 3.477 3.592 . 0 0 "[ . 1 . 2]" 1 452 1 86 THR HA 1 87 ILE HG12 . . 4.520 4.630 4.610 4.641 0.121 1 0 "[ . 1 . 2]" 1 453 1 60 ILE HG12 1 86 THR HB . . 4.670 4.449 4.405 4.510 . 0 0 "[ . 1 . 2]" 1 454 1 60 ILE HG13 1 86 THR HB . . 4.670 4.498 4.447 4.538 . 0 0 "[ . 1 . 2]" 1 455 1 80 ALA MB 1 86 THR HB . . 5.000 4.087 3.914 4.183 . 0 0 "[ . 1 . 2]" 1 456 1 76 LYS HB3 1 86 THR HB . . 4.640 4.552 4.419 4.634 . 0 0 "[ . 1 . 2]" 1 457 1 79 ILE HB 1 86 THR HB . . 5.070 4.429 4.339 4.518 . 0 0 "[ . 1 . 2]" 1 458 1 80 ALA HA 1 86 THR HB . . 4.880 4.884 4.761 4.913 0.033 6 0 "[ . 1 . 2]" 1 459 1 76 LYS H 1 86 THR HB . . 5.500 5.428 5.255 5.514 0.014 3 0 "[ . 1 . 2]" 1 460 1 86 THR MG 1 87 ILE H . . 3.550 2.761 2.670 2.788 . 0 0 "[ . 1 . 2]" 1 461 1 86 THR H 1 86 THR MG . . 4.010 3.895 3.816 3.942 . 0 0 "[ . 1 . 2]" 1 462 1 58 VAL H 1 86 THR MG . . 4.030 3.940 3.899 3.968 . 0 0 "[ . 1 . 2]" 1 463 1 60 ILE H 1 86 THR MG . . 4.640 3.796 3.585 4.079 . 0 0 "[ . 1 . 2]" 1 464 1 76 LYS H 1 86 THR MG . . 4.410 3.673 3.599 3.720 . 0 0 "[ . 1 . 2]" 1 465 1 78 ILE H 1 86 THR MG . . 5.500 5.530 5.506 5.546 0.046 12 0 "[ . 1 . 2]" 1 466 1 77 LYS H 1 86 THR MG . . 4.960 4.943 4.876 4.982 0.022 1 0 "[ . 1 . 2]" 1 467 1 58 VAL HA 1 86 THR MG . . 4.430 4.204 4.162 4.232 . 0 0 "[ . 1 . 2]" 1 468 1 86 THR MG 1 87 ILE HA . . 4.740 4.371 4.268 4.427 . 0 0 "[ . 1 . 2]" 1 469 1 76 LYS HA 1 86 THR MG . . 3.800 1.972 1.950 1.996 . 0 0 "[ . 1 . 2]" 1 470 1 58 VAL HB 1 86 THR MG . . 3.150 2.127 2.084 2.150 . 0 0 "[ . 1 . 2]" 1 471 1 63 PRO HB2 1 64 SER H . . 3.870 2.411 2.096 2.612 . 0 0 "[ . 1 . 2]" 1 472 1 10 PRO HA 1 18 LEU HB3 . . 5.500 4.727 4.502 4.934 . 0 0 "[ . 1 . 2]" 1 473 1 10 PRO HA 1 18 LEU HG . . 5.500 4.617 4.335 4.747 . 0 0 "[ . 1 . 2]" 1 474 1 27 GLU HA 1 30 PRO HD3 . . 4.600 4.266 4.074 4.559 . 0 0 "[ . 1 . 2]" 1 475 1 28 GLU HA 1 30 PRO HD3 . . 4.000 3.683 3.525 3.865 . 0 0 "[ . 1 . 2]" 1 476 1 63 PRO HB3 1 64 SER H . . 3.600 3.654 3.598 3.698 0.098 3 0 "[ . 1 . 2]" 1 477 1 30 PRO HG3 1 31 ASP H . . 4.470 4.492 4.463 4.520 0.050 13 0 "[ . 1 . 2]" 1 478 1 30 PRO HA 1 32 ALA H . . 4.460 3.852 3.699 3.948 . 0 0 "[ . 1 . 2]" 1 479 1 30 PRO HA 1 32 ALA MB . . 5.170 4.659 4.477 4.772 . 0 0 "[ . 1 . 2]" 1 480 1 30 PRO HA 1 34 ILE MD . . 5.500 5.516 5.502 5.536 0.036 20 0 "[ . 1 . 2]" 1 481 1 30 PRO HD2 1 31 ASP HB3 . . 5.490 4.890 4.527 5.520 0.030 5 0 "[ . 1 . 2]" 1 482 1 29 VAL HA 1 30 PRO HD3 . . 3.200 2.926 2.759 2.991 . 0 0 "[ . 1 . 2]" 1 483 1 29 VAL HA 1 30 PRO HD2 . . 3.130 2.002 1.978 2.027 . 0 0 "[ . 1 . 2]" 1 484 1 29 VAL HA 1 30 PRO HB2 . . 5.500 5.588 5.573 5.603 0.103 8 0 "[ . 1 . 2]" 1 485 1 29 VAL HA 1 30 PRO HG3 . . 4.770 4.653 4.587 4.682 . 0 0 "[ . 1 . 2]" 1 486 1 30 PRO HG2 1 32 ALA H . . 5.500 5.204 5.108 5.289 . 0 0 "[ . 1 . 2]" 1 487 1 63 PRO HA 1 91 THR H . . 5.380 3.416 3.073 4.084 . 0 0 "[ . 1 . 2]" 1 488 1 63 PRO HA 1 91 THR MG . . 3.970 2.932 2.204 3.844 . 0 0 "[ . 1 . 2]" 1 489 1 63 PRO HD2 1 90 THR MG . . 4.990 4.842 4.486 5.034 0.044 4 0 "[ . 1 . 2]" 1 490 1 13 ALA MB 1 63 PRO HD2 . . 4.340 3.941 3.637 4.337 . 0 0 "[ . 1 . 2]" 1 491 1 62 GLY HA2 1 63 PRO HD2 . . 3.180 2.889 2.549 3.197 0.017 4 0 "[ . 1 . 2]" 1 492 1 62 GLY HA3 1 63 PRO HD2 . . 3.180 2.397 2.278 2.587 . 0 0 "[ . 1 . 2]" 1 493 1 63 PRO HD2 1 69 SER H . . 5.500 5.218 4.530 5.549 0.049 2 0 "[ . 1 . 2]" 1 494 1 63 PRO HB2 1 90 THR MG . . 4.990 5.027 4.787 5.064 0.074 16 0 "[ . 1 . 2]" 1 495 1 8 VAL HB 1 62 GLY HA3 . . 4.340 3.764 3.437 4.342 0.002 8 0 "[ . 1 . 2]" 1 496 1 8 VAL H 1 8 VAL HB . . 3.480 2.568 2.475 2.732 . 0 0 "[ . 1 . 2]" 1 497 1 8 VAL HB 1 63 PRO HD2 . . 4.360 3.771 2.960 4.292 . 0 0 "[ . 1 . 2]" 1 498 1 7 ILE MG 1 61 VAL HB . . 2.820 2.275 2.179 2.347 . 0 0 "[ . 1 . 2]" 1 499 1 29 VAL HA 1 30 PRO HG2 . . 4.190 4.152 4.122 4.189 . 0 0 "[ . 1 . 2]" 1 500 1 29 VAL HA 1 29 VAL MG1 . . 3.250 2.335 2.306 2.360 . 0 0 "[ . 1 . 2]" 1 501 1 25 ALA MB 1 29 VAL HB . . 5.480 5.187 5.096 5.252 . 0 0 "[ . 1 . 2]" 1 502 1 29 VAL HB 1 30 PRO HD3 . . 5.050 5.028 4.914 5.063 0.013 1 0 "[ . 1 . 2]" 1 503 1 29 VAL HB 1 30 PRO HD2 . . 4.850 4.203 4.099 4.256 . 0 0 "[ . 1 . 2]" 1 504 1 26 LYS HA 1 29 VAL HB . . 5.030 4.973 4.866 5.035 0.005 9 0 "[ . 1 . 2]" 1 505 1 29 VAL HB 1 32 ALA HA . . 4.910 4.522 4.370 4.626 . 0 0 "[ . 1 . 2]" 1 506 1 29 VAL HA 1 29 VAL MG2 . . 3.250 3.258 3.251 3.263 0.013 14 0 "[ . 1 . 2]" 1 507 1 29 VAL MG2 1 30 PRO HD2 . . 4.580 4.657 4.648 4.670 0.090 8 0 "[ . 1 . 2]" 1 508 1 29 VAL MG1 1 32 ALA MB . . 3.500 3.314 3.222 3.414 . 0 0 "[ . 1 . 2]" 1 509 1 29 VAL MG1 1 30 PRO HD3 . . 4.610 4.544 4.417 4.583 . 0 0 "[ . 1 . 2]" 1 510 1 29 VAL MG1 1 30 PRO HD2 . . 4.580 3.936 3.891 3.974 . 0 0 "[ . 1 . 2]" 1 511 1 25 ALA HA 1 29 VAL MG1 . . 3.930 4.029 4.014 4.052 0.122 11 0 "[ . 1 . 2]" 1 512 1 28 GLU H 1 29 VAL MG1 . . 5.500 4.573 4.482 4.625 . 0 0 "[ . 1 . 2]" 1 513 1 29 VAL MG1 1 31 ASP H . . 4.930 4.589 4.484 4.703 . 0 0 "[ . 1 . 2]" 1 514 1 37 VAL HA 1 38 THR H . . 3.390 2.123 2.020 2.205 . 0 0 "[ . 1 . 2]" 1 515 1 37 VAL HB 1 38 THR H . . 4.640 2.936 2.779 3.214 . 0 0 "[ . 1 . 2]" 1 516 1 37 VAL HA 1 42 ASP H . . 5.050 5.136 5.101 5.164 0.114 19 0 "[ . 1 . 2]" 1 517 1 37 VAL HA 1 42 ASP HB2 . . 3.810 2.777 2.690 2.868 . 0 0 "[ . 1 . 2]" 1 518 1 37 VAL HA 1 37 VAL MG2 . . 3.090 3.045 3.008 3.079 . 0 0 "[ . 1 . 2]" 1 519 1 37 VAL HB 1 38 THR MG . . 4.960 4.710 4.609 4.852 . 0 0 "[ . 1 . 2]" 1 520 1 37 VAL HB 1 42 ASP HB3 . . 4.440 2.123 2.048 2.230 . 0 0 "[ . 1 . 2]" 1 521 1 37 VAL HB 1 42 ASP HB2 . . 4.560 2.312 2.217 2.397 . 0 0 "[ . 1 . 2]" 1 522 1 36 THR HA 1 37 VAL HB . . 5.420 5.426 5.339 5.477 0.057 1 0 "[ . 1 . 2]" 1 523 1 37 VAL HB 1 42 ASP H . . 5.420 4.278 4.158 4.450 . 0 0 "[ . 1 . 2]" 1 524 1 37 VAL MG1 1 38 THR H . . 4.490 4.170 4.094 4.350 . 0 0 "[ . 1 . 2]" 1 525 1 37 VAL HA 1 37 VAL MG1 . . 3.090 2.858 2.780 2.970 . 0 0 "[ . 1 . 2]" 1 526 1 37 VAL MG1 1 43 ALA HA . . 3.110 2.076 1.987 2.169 . 0 0 "[ . 1 . 2]" 1 527 1 37 VAL MG1 1 42 ASP HB2 . . 3.840 3.917 3.864 3.939 0.099 19 0 "[ . 1 . 2]" 1 528 1 37 VAL MG1 1 42 ASP HB3 . . 3.510 3.273 3.012 3.551 0.041 17 0 "[ . 1 . 2]" 1 529 1 46 VAL H 1 46 VAL MG2 . . 3.520 2.387 2.297 2.549 . 0 0 "[ . 1 . 2]" 1 530 1 46 VAL H 1 46 VAL MG1 . . 3.520 2.422 2.175 3.606 0.086 3 0 "[ . 1 . 2]" 1 531 1 46 VAL HA 1 46 VAL MG2 . . 3.210 3.097 2.198 3.264 0.054 8 0 "[ . 1 . 2]" 1 532 1 46 VAL HA 1 50 ALA H . . 4.700 4.146 4.061 4.213 . 0 0 "[ . 1 . 2]" 1 533 1 46 VAL HA 1 49 GLU H . . 3.860 3.685 3.600 3.751 . 0 0 "[ . 1 . 2]" 1 534 1 35 ARG HD2 1 46 VAL HA . . 5.500 5.578 5.534 5.658 0.158 1 0 "[ . 1 . 2]" 1 535 1 46 VAL HA 1 49 GLU HB2 . . 3.520 3.025 2.756 3.294 . 0 0 "[ . 1 . 2]" 1 536 1 35 ARG HB2 1 46 VAL HA . . 5.500 5.266 5.168 5.323 . 0 0 "[ . 1 . 2]" 1 537 1 46 VAL HA 1 47 ALA MB . . 5.500 4.972 4.947 5.002 . 0 0 "[ . 1 . 2]" 1 538 1 35 ARG HG3 1 46 VAL HA . . 4.350 3.459 3.424 3.509 . 0 0 "[ . 1 . 2]" 1 539 1 46 VAL HA 1 46 VAL MG1 . . 3.210 2.402 2.347 2.595 . 0 0 "[ . 1 . 2]" 1 540 1 35 ARG HG3 1 46 VAL HB . . 4.300 2.557 2.190 4.271 . 0 0 "[ . 1 . 2]" 1 541 1 35 ARG HE 1 46 VAL MG2 . . 5.120 4.163 3.744 5.202 0.082 16 0 "[ . 1 . 2]" 1 542 1 99 VAL MG2 1 100 ALA H . . 4.060 3.780 2.095 3.976 . 0 0 "[ . 1 . 2]" 1 543 1 35 ARG HD3 1 46 VAL MG2 . . 5.060 4.772 4.475 4.912 . 0 0 "[ . 1 . 2]" 1 544 1 75 VAL H 1 75 VAL MG1 . . 3.770 3.818 3.807 3.827 0.057 13 0 "[ . 1 . 2]" 1 545 1 58 VAL H 1 58 VAL MG2 . . 3.380 1.998 1.954 2.030 . 0 0 "[ . 1 . 2]" 1 546 1 4 ILE H 1 58 VAL HA . . 4.030 3.087 3.015 3.135 . 0 0 "[ . 1 . 2]" 1 547 1 58 VAL HA 1 86 THR HA . . 4.910 4.666 4.647 4.688 . 0 0 "[ . 1 . 2]" 1 548 1 5 VAL HA 1 58 VAL HA . . 4.320 4.305 4.171 4.360 0.040 19 0 "[ . 1 . 2]" 1 549 1 4 ILE HB 1 58 VAL HA . . 4.030 2.636 2.560 2.694 . 0 0 "[ . 1 . 2]" 1 550 1 55 ALA MB 1 58 VAL HA . . 4.160 3.840 3.808 3.863 . 0 0 "[ . 1 . 2]" 1 551 1 58 VAL HA 1 58 VAL MG1 . . 2.800 2.198 2.176 2.215 . 0 0 "[ . 1 . 2]" 1 552 1 58 VAL H 1 58 VAL HB . . 3.690 3.590 3.564 3.612 . 0 0 "[ . 1 . 2]" 1 553 1 58 VAL MG2 1 87 ILE H . . 3.950 3.748 3.723 3.776 . 0 0 "[ . 1 . 2]" 1 554 1 58 VAL MG2 1 85 LYS H . . 4.260 3.583 3.296 3.748 . 0 0 "[ . 1 . 2]" 1 555 1 57 ILE H 1 58 VAL MG2 . . 4.570 4.391 4.311 4.454 . 0 0 "[ . 1 . 2]" 1 556 1 58 VAL MG2 1 84 ALA H . . 4.930 4.833 4.728 4.930 . 0 0 "[ . 1 . 2]" 1 557 1 58 VAL MG2 1 86 THR HA . . 4.310 2.008 1.989 2.022 . 0 0 "[ . 1 . 2]" 1 558 1 58 VAL HA 1 58 VAL MG2 . . 3.290 3.166 3.155 3.177 . 0 0 "[ . 1 . 2]" 1 559 1 58 VAL MG2 1 79 ILE HG13 . . 2.950 2.957 2.906 2.969 0.019 15 0 "[ . 1 . 2]" 1 560 1 75 VAL H 1 75 VAL HB . . 3.450 2.507 2.475 2.540 . 0 0 "[ . 1 . 2]" 1 561 1 75 VAL H 1 75 VAL MG2 . . 3.770 2.180 2.136 2.225 . 0 0 "[ . 1 . 2]" 1 562 1 44 LYS HA 1 75 VAL HA . . 5.500 4.628 4.563 4.715 . 0 0 "[ . 1 . 2]" 1 563 1 75 VAL HA 1 78 ILE H . . 4.070 3.385 3.359 3.416 . 0 0 "[ . 1 . 2]" 1 564 1 75 VAL HA 1 78 ILE HB . . 3.560 2.836 2.783 2.873 . 0 0 "[ . 1 . 2]" 1 565 1 47 ALA MB 1 75 VAL HA . . 3.290 2.225 2.180 2.257 . 0 0 "[ . 1 . 2]" 1 566 1 75 VAL HA 1 78 ILE HG13 . . 4.220 3.076 3.054 3.102 . 0 0 "[ . 1 . 2]" 1 567 1 75 VAL HA 1 79 ILE HG12 . . 4.480 3.898 3.849 3.944 . 0 0 "[ . 1 . 2]" 1 568 1 75 VAL HA 1 75 VAL MG1 . . 3.140 2.523 2.501 2.542 . 0 0 "[ . 1 . 2]" 1 569 1 43 ALA MB 1 75 VAL HB . . 3.880 3.930 3.915 3.945 0.065 7 0 "[ . 1 . 2]" 1 570 1 75 VAL HA 1 75 VAL MG2 . . 3.140 2.434 2.394 2.464 . 0 0 "[ . 1 . 2]" 1 571 1 99 VAL HA 1 99 VAL MG2 . . 3.100 2.482 2.371 3.238 0.138 2 0 "[ . 1 . 2]" 1 572 1 98 ALA HA 1 99 VAL HA . . 5.190 4.808 4.672 4.871 . 0 0 "[ . 1 . 2]" 1 573 1 99 VAL HA 1 100 ALA HA . . 5.500 4.841 4.822 4.874 . 0 0 "[ . 1 . 2]" 1 574 1 99 VAL HA 1 99 VAL MG1 . . 3.100 2.543 2.149 2.654 . 0 0 "[ . 1 . 2]" 1 575 1 99 VAL H 1 99 VAL MG1 . . 3.780 3.720 2.387 3.827 0.047 9 0 "[ . 1 . 2]" 1 576 1 18 LEU HA 1 21 LEU H . . 3.670 3.699 3.677 3.713 0.043 20 0 "[ . 1 . 2]" 1 577 1 7 ILE HG12 1 18 LEU HA . . 3.850 2.753 2.591 2.958 . 0 0 "[ . 1 . 2]" 1 578 1 18 LEU HA 1 36 THR MG . . 4.110 4.107 3.994 4.157 0.047 13 0 "[ . 1 . 2]" 1 579 1 18 LEU HA 1 18 LEU HG . . 3.860 3.738 3.700 3.765 . 0 0 "[ . 1 . 2]" 1 580 1 18 LEU HG 1 36 THR MG . . 4.710 4.348 4.151 4.505 . 0 0 "[ . 1 . 2]" 1 581 1 18 LEU MD2 1 36 THR MG . . 2.850 2.657 2.341 2.863 0.013 1 0 "[ . 1 . 2]" 1 582 1 40 LYS H 1 71 LEU MD2 . . 5.170 4.895 4.613 5.181 0.011 4 0 "[ . 1 . 2]" 1 583 1 70 THR HB 1 71 LEU MD2 . . 4.020 3.561 3.342 4.025 0.005 8 0 "[ . 1 . 2]" 1 584 1 18 LEU MD1 1 36 THR MG . . 2.850 2.210 2.097 2.338 . 0 0 "[ . 1 . 2]" 1 585 1 21 LEU H 1 21 LEU MD2 . . 4.260 2.720 2.629 2.765 . 0 0 "[ . 1 . 2]" 1 586 1 21 LEU HA 1 21 LEU MD2 . . 3.020 2.153 2.126 2.202 . 0 0 "[ . 1 . 2]" 1 587 1 19 ASP H 1 21 LEU HG . . 5.500 5.544 5.525 5.572 0.072 12 0 "[ . 1 . 2]" 1 588 1 39 THR HA 1 71 LEU HA . . 5.500 5.315 5.024 5.500 0.000 16 0 "[ . 1 . 2]" 1 589 1 40 LYS HA 1 71 LEU HA . . 4.050 3.503 3.419 3.603 . 0 0 "[ . 1 . 2]" 1 590 1 70 THR MG 1 71 LEU HA . . 4.520 4.174 4.002 4.286 . 0 0 "[ . 1 . 2]" 1 591 1 21 LEU HA 1 21 LEU MD1 . . 3.020 2.515 2.354 2.630 . 0 0 "[ . 1 . 2]" 1 592 1 71 LEU HA 1 74 ILE MD . . 3.230 2.109 2.085 2.136 . 0 0 "[ . 1 . 2]" 1 593 1 7 ILE MD 1 21 LEU HB3 . . 4.130 3.031 2.831 3.145 . 0 0 "[ . 1 . 2]" 1 594 1 7 ILE MD 1 21 LEU HB2 . . 4.130 3.888 3.722 3.990 . 0 0 "[ . 1 . 2]" 1 595 1 7 ILE HG13 1 21 LEU HB3 . . 5.010 4.115 3.964 4.290 . 0 0 "[ . 1 . 2]" 1 596 1 7 ILE HG13 1 21 LEU HB2 . . 5.010 4.832 4.641 5.019 0.009 4 0 "[ . 1 . 2]" 1 597 1 21 LEU HB3 1 23 ARG H . . 5.380 5.295 5.237 5.337 . 0 0 "[ . 1 . 2]" 1 598 1 21 LEU HB2 1 23 ARG H . . 5.380 5.073 5.013 5.139 . 0 0 "[ . 1 . 2]" 1 599 1 21 LEU HA 1 21 LEU HG . . 3.830 3.704 3.678 3.725 . 0 0 "[ . 1 . 2]" 1 600 1 7 ILE HG12 1 21 LEU HG . . 4.000 3.455 3.201 3.645 . 0 0 "[ . 1 . 2]" 1 601 1 7 ILE HG13 1 21 LEU HG . . 4.930 4.392 4.112 4.671 . 0 0 "[ . 1 . 2]" 1 602 1 7 ILE MD 1 21 LEU HG . . 4.600 4.483 4.274 4.608 0.008 11 0 "[ . 1 . 2]" 1 603 1 10 PRO HA 1 18 LEU MD2 . . 3.780 2.014 1.876 2.167 . 0 0 "[ . 1 . 2]" 1 604 1 39 THR H 1 71 LEU HB3 . . 5.500 4.260 3.929 4.714 . 0 0 "[ . 1 . 2]" 1 605 1 71 LEU HB3 1 74 ILE H . . 5.500 5.299 5.035 5.398 . 0 0 "[ . 1 . 2]" 1 606 1 43 ALA HA 1 71 LEU HB3 . . 5.500 4.449 4.288 4.550 . 0 0 "[ . 1 . 2]" 1 607 1 71 LEU HB3 1 72 ALA HA . . 5.380 4.921 4.799 5.001 . 0 0 "[ . 1 . 2]" 1 608 1 4 ILE HB 1 55 ALA HA . . 5.290 4.616 4.575 4.670 . 0 0 "[ . 1 . 2]" 1 609 1 71 LEU HB2 1 72 ALA HA . . 5.500 4.273 4.100 4.394 . 0 0 "[ . 1 . 2]" 1 610 1 71 LEU HB3 1 72 ALA H . . 4.000 3.994 3.911 4.035 0.035 8 0 "[ . 1 . 2]" 1 611 1 37 VAL HA 1 71 LEU HB3 . . 5.500 5.592 5.565 5.631 0.131 18 0 "[ . 1 . 2]" 1 612 1 10 PRO HA 1 18 LEU HB2 . . 5.500 4.965 4.513 5.211 . 0 0 "[ . 1 . 2]" 1 613 1 2 ARG HA 1 2 ARG HG3 . . 3.820 2.283 2.215 2.361 . 0 0 "[ . 1 . 2]" 1 614 1 71 LEU H 1 71 LEU MD2 . . 3.840 1.762 1.680 1.926 . 0 0 "[ . 1 . 2]" 1 615 1 39 THR H 1 71 LEU MD2 . . 4.760 4.578 4.353 4.784 0.024 17 0 "[ . 1 . 2]" 1 616 1 39 THR HA 1 71 LEU MD2 . . 3.910 3.465 3.192 3.685 . 0 0 "[ . 1 . 2]" 1 617 1 39 THR HA 1 71 LEU MD1 . . 3.910 2.115 2.055 2.193 . 0 0 "[ . 1 . 2]" 1 618 1 38 THR H 1 71 LEU MD1 . . 5.500 5.366 5.282 5.505 0.005 15 0 "[ . 1 . 2]" 1 619 1 38 THR H 1 71 LEU MD2 . . 5.500 5.239 4.926 5.481 . 0 0 "[ . 1 . 2]" 1 620 1 108 LEU H 1 108 LEU HB2 . . 3.440 2.103 1.960 2.252 . 0 0 "[ . 1 . 2]" 1 621 1 107 SER H 1 108 LEU HA . . 5.140 5.186 5.164 5.204 0.064 17 0 "[ . 1 . 2]" 1 622 1 108 LEU HA 1 108 LEU MD2 . . 3.950 3.180 1.995 3.815 . 0 0 "[ . 1 . 2]" 1 623 1 108 LEU H 1 108 LEU MD2 . . 3.980 3.726 2.807 4.071 0.091 2 0 "[ . 1 . 2]" 1 624 1 108 LEU HA 1 110 HIS H . . 5.500 4.840 4.466 5.144 . 0 0 "[ . 1 . 2]" 1 625 1 108 LEU HA 1 108 LEU HG . . 3.610 2.903 2.503 3.657 0.047 5 0 "[ . 1 . 2]" 1 626 1 108 LEU HB3 1 109 GLU HG3 . . 4.790 4.738 4.414 4.861 0.071 9 0 "[ . 1 . 2]" 1 627 1 108 LEU HB2 1 109 GLU HG3 . . 4.790 4.714 4.539 4.823 0.033 5 0 "[ . 1 . 2]" 1 628 1 105 SER HA 1 108 LEU HB2 . . 4.180 2.323 2.207 2.591 . 0 0 "[ . 1 . 2]" 1 629 1 108 LEU HA 1 108 LEU MD1 . . 3.950 2.321 1.985 3.842 . 0 0 "[ . 1 . 2]" 1 630 1 4 ILE HB 1 6 VAL H . . 5.500 5.574 5.546 5.607 0.107 11 0 "[ . 1 . 2]" 1 631 1 47 ALA MB 1 79 ILE MD . . 2.950 2.278 2.230 2.339 . 0 0 "[ . 1 . 2]" 1 632 1 6 VAL H 1 7 ILE HG13 . . 5.500 4.678 4.564 4.879 . 0 0 "[ . 1 . 2]" 1 633 1 79 ILE MG 1 84 ALA H . . 4.420 3.203 3.069 3.271 . 0 0 "[ . 1 . 2]" 1 634 1 79 ILE MG 1 82 ALA H . . 4.110 3.913 3.847 3.961 . 0 0 "[ . 1 . 2]" 1 635 1 7 ILE MD 1 35 ARG HD2 . . 5.500 5.544 5.531 5.569 0.069 13 0 "[ . 1 . 2]" 1 636 1 34 ILE MD 1 35 ARG H . . 4.360 4.361 4.325 4.379 0.019 20 0 "[ . 1 . 2]" 1 637 1 34 ILE HA 1 35 ARG HB3 . . 4.880 4.831 4.779 4.898 0.018 12 0 "[ . 1 . 2]" 1 638 1 34 ILE HA 1 34 ILE HG12 . . 4.210 3.521 3.499 3.544 . 0 0 "[ . 1 . 2]" 1 639 1 34 ILE HA 1 34 ILE HG13 . . 4.140 3.956 3.940 3.972 . 0 0 "[ . 1 . 2]" 1 640 1 34 ILE HB 1 34 ILE MD . . 3.490 3.292 3.275 3.307 . 0 0 "[ . 1 . 2]" 1 641 1 34 ILE HB 1 35 ARG HD3 . . 5.500 5.540 5.514 5.575 0.075 11 0 "[ . 1 . 2]" 1 642 1 26 LYS HA 1 34 ILE HB . . 5.440 5.472 5.441 5.505 0.065 19 0 "[ . 1 . 2]" 1 643 1 22 ALA H 1 34 ILE HB . . 5.500 5.530 5.504 5.559 0.059 1 0 "[ . 1 . 2]" 1 644 1 5 VAL H 1 34 ILE HB . . 5.500 5.448 5.393 5.479 . 0 0 "[ . 1 . 2]" 1 645 1 5 VAL H 1 34 ILE HG12 . . 5.340 4.981 4.952 5.020 . 0 0 "[ . 1 . 2]" 1 646 1 5 VAL H 1 34 ILE HG13 . . 5.450 5.453 5.392 5.487 0.037 19 0 "[ . 1 . 2]" 1 647 1 33 GLU HA 1 34 ILE HG13 . . 5.280 5.308 5.196 5.366 0.086 1 0 "[ . 1 . 2]" 1 648 1 26 LYS HA 1 34 ILE HG13 . . 4.210 3.481 3.426 3.540 . 0 0 "[ . 1 . 2]" 1 649 1 47 ALA HA 1 79 ILE HG12 . . 4.620 3.491 3.411 3.538 . 0 0 "[ . 1 . 2]" 1 650 1 7 ILE MD 1 34 ILE MG . . 2.830 2.179 2.130 2.232 . 0 0 "[ . 1 . 2]" 1 651 1 87 ILE HG13 1 87 ILE MG . . 2.770 2.457 2.428 2.499 . 0 0 "[ . 1 . 2]" 1 652 1 5 VAL HB 1 34 ILE MG . . 2.820 2.044 2.022 2.064 . 0 0 "[ . 1 . 2]" 1 653 1 87 ILE HA 1 87 ILE MG . . 3.180 2.268 2.248 2.286 . 0 0 "[ . 1 . 2]" 1 654 1 59 VAL HA 1 87 ILE MG . . 4.630 4.683 4.666 4.698 0.068 4 0 "[ . 1 . 2]" 1 655 1 34 ILE HA 1 34 ILE MG . . 3.090 2.054 2.040 2.074 . 0 0 "[ . 1 . 2]" 1 656 1 26 LYS H 1 34 ILE MG . . 4.810 3.833 3.753 3.919 . 0 0 "[ . 1 . 2]" 1 657 1 87 ILE MG 1 101 LYS H . . 4.860 4.204 4.002 4.372 . 0 0 "[ . 1 . 2]" 1 658 1 22 ALA H 1 34 ILE MG . . 4.000 3.604 3.523 3.702 . 0 0 "[ . 1 . 2]" 1 659 1 6 VAL H 1 34 ILE MD . . 5.500 5.565 5.550 5.585 0.085 3 0 "[ . 1 . 2]" 1 660 1 5 VAL H 1 34 ILE MD . . 3.610 2.614 2.582 2.644 . 0 0 "[ . 1 . 2]" 1 661 1 26 LYS H 1 34 ILE MD . . 4.330 3.577 3.456 3.645 . 0 0 "[ . 1 . 2]" 1 662 1 34 ILE HA 1 34 ILE MD . . 3.140 2.557 2.533 2.601 . 0 0 "[ . 1 . 2]" 1 663 1 5 VAL HA 1 34 ILE MD . . 4.330 4.260 4.226 4.306 . 0 0 "[ . 1 . 2]" 1 664 1 32 ALA HA 1 34 ILE MD . . 4.300 4.322 4.301 4.355 0.055 14 0 "[ . 1 . 2]" 1 665 1 34 ILE MD 1 35 ARG HD2 . . 5.240 5.251 5.224 5.271 0.031 12 0 "[ . 1 . 2]" 1 666 1 5 VAL HB 1 34 ILE MD . . 2.740 2.167 2.095 2.206 . 0 0 "[ . 1 . 2]" 1 667 1 26 LYS HB2 1 34 ILE MD . . 3.750 3.767 3.751 3.785 0.035 14 0 "[ . 1 . 2]" 1 668 1 32 ALA MB 1 34 ILE MD . . 2.820 2.125 2.067 2.196 . 0 0 "[ . 1 . 2]" 1 669 1 34 ILE MD 1 34 ILE MG . . 2.610 2.295 2.259 2.322 . 0 0 "[ . 1 . 2]" 1 670 1 57 ILE HB 1 58 VAL H . . 4.570 3.977 3.914 4.049 . 0 0 "[ . 1 . 2]" 1 671 1 57 ILE HG12 1 58 VAL H . . 5.110 4.946 4.906 4.997 . 0 0 "[ . 1 . 2]" 1 672 1 3 VAL H 1 57 ILE HG13 . . 5.500 5.448 5.285 5.526 0.026 4 0 "[ . 1 . 2]" 1 673 1 57 ILE HB 1 57 ILE MD . . 3.470 2.493 2.449 2.548 . 0 0 "[ . 1 . 2]" 1 674 1 3 VAL HA 1 57 ILE HB . . 4.430 2.892 2.821 3.006 . 0 0 "[ . 1 . 2]" 1 675 1 57 ILE HG12 1 85 LYS H . . 5.230 4.784 4.665 4.946 . 0 0 "[ . 1 . 2]" 1 676 1 3 VAL HA 1 57 ILE HG13 . . 4.610 3.565 3.384 3.763 . 0 0 "[ . 1 . 2]" 1 677 1 57 ILE HA 1 57 ILE HG12 . . 4.030 2.905 2.852 2.963 . 0 0 "[ . 1 . 2]" 1 678 1 56 ASP HB2 1 57 ILE HG12 . . 4.820 4.700 4.146 4.814 . 0 0 "[ . 1 . 2]" 1 679 1 56 ASP HB2 1 57 ILE HG13 . . 4.770 3.944 3.230 4.022 . 0 0 "[ . 1 . 2]" 1 680 1 57 ILE HG12 1 57 ILE MG . . 3.280 2.510 2.470 2.560 . 0 0 "[ . 1 . 2]" 1 681 1 57 ILE H 1 57 ILE MG . . 4.120 3.999 3.971 4.040 . 0 0 "[ . 1 . 2]" 1 682 1 57 ILE H 1 57 ILE MD . . 4.280 4.126 4.059 4.263 . 0 0 "[ . 1 . 2]" 1 683 1 57 ILE MD 1 58 VAL H . . 5.300 5.318 5.299 5.336 0.036 9 0 "[ . 1 . 2]" 1 684 1 57 ILE MG 1 59 VAL H . . 4.190 3.933 3.793 4.046 . 0 0 "[ . 1 . 2]" 1 685 1 4 ILE H 1 57 ILE MG . . 4.800 4.589 4.505 4.699 . 0 0 "[ . 1 . 2]" 1 686 1 57 ILE MG 1 102 ALA H . . 4.970 4.985 4.869 5.015 0.045 13 0 "[ . 1 . 2]" 1 687 1 57 ILE MG 1 86 THR HA . . 4.550 4.315 4.271 4.381 . 0 0 "[ . 1 . 2]" 1 688 1 57 ILE HA 1 57 ILE MG . . 3.270 2.219 2.182 2.259 . 0 0 "[ . 1 . 2]" 1 689 1 57 ILE MG 1 106 TRP HB3 . . 4.280 4.075 3.954 4.212 . 0 0 "[ . 1 . 2]" 1 690 1 57 ILE MG 1 85 LYS HG3 . . 3.450 2.246 2.152 2.502 . 0 0 "[ . 1 . 2]" 1 691 1 57 ILE HG13 1 57 ILE MG . . 3.360 3.260 3.246 3.270 . 0 0 "[ . 1 . 2]" 1 692 1 57 ILE MD 1 106 TRP HD1 . . 4.740 3.275 3.070 3.524 . 0 0 "[ . 1 . 2]" 1 693 1 57 ILE MD 1 106 TRP HZ3 . . 4.950 4.915 4.809 4.980 0.030 12 0 "[ . 1 . 2]" 1 694 1 57 ILE MD 1 102 ALA HA . . 5.500 5.150 4.801 5.434 . 0 0 "[ . 1 . 2]" 1 695 1 57 ILE MD 1 107 SER HA . . 5.500 5.520 5.471 5.559 0.059 1 0 "[ . 1 . 2]" 1 696 1 57 ILE MD 1 106 TRP HB3 . . 3.890 2.447 2.349 2.538 . 0 0 "[ . 1 . 2]" 1 697 1 1 MET ME 1 57 ILE MD . . 3.320 2.201 2.040 2.740 . 0 0 "[ . 1 . 2]" 1 698 1 60 ILE H 1 60 ILE MD . . 3.640 3.439 3.346 3.629 . 0 0 "[ . 1 . 2]" 1 699 1 47 ALA MB 1 78 ILE HB . . 3.420 1.955 1.935 1.970 . 0 0 "[ . 1 . 2]" 1 700 1 59 VAL HA 1 60 ILE HB . . 4.850 4.811 4.675 4.852 0.002 11 0 "[ . 1 . 2]" 1 701 1 60 ILE HB 1 88 GLU HA . . 4.040 2.368 2.329 2.392 . 0 0 "[ . 1 . 2]" 1 702 1 60 ILE HB 1 88 GLU H . . 4.950 4.754 4.704 4.825 . 0 0 "[ . 1 . 2]" 1 703 1 60 ILE HG13 1 88 GLU HA . . 5.500 4.280 4.158 4.378 . 0 0 "[ . 1 . 2]" 1 704 1 60 ILE HG12 1 88 GLU HA . . 5.500 4.263 4.216 4.290 . 0 0 "[ . 1 . 2]" 1 705 1 60 ILE HA 1 60 ILE HG12 . . 4.210 3.346 3.330 3.363 . 0 0 "[ . 1 . 2]" 1 706 1 60 ILE HA 1 60 ILE HG13 . . 4.210 4.014 3.990 4.040 . 0 0 "[ . 1 . 2]" 1 707 1 60 ILE MD 1 86 THR MG . . 2.940 2.107 2.071 2.145 . 0 0 "[ . 1 . 2]" 1 708 1 58 VAL HB 1 60 ILE MD . . 2.860 2.853 2.756 2.893 0.033 4 0 "[ . 1 . 2]" 1 709 1 60 ILE MD 1 75 VAL HA . . 4.690 4.427 4.383 4.497 . 0 0 "[ . 1 . 2]" 1 710 1 60 ILE MD 1 86 THR HB . . 4.460 4.382 4.333 4.432 . 0 0 "[ . 1 . 2]" 1 711 1 60 ILE HA 1 60 ILE MD . . 3.570 2.649 2.547 2.759 . 0 0 "[ . 1 . 2]" 1 712 1 58 VAL HA 1 60 ILE MD . . 4.750 4.518 4.434 4.577 . 0 0 "[ . 1 . 2]" 1 713 1 60 ILE MD 1 88 GLU HA . . 5.110 5.134 5.119 5.149 0.039 20 0 "[ . 1 . 2]" 1 714 1 60 ILE MD 1 86 THR HA . . 4.630 4.505 4.420 4.566 . 0 0 "[ . 1 . 2]" 1 715 1 60 ILE MD 1 77 LYS H . . 5.440 5.504 5.487 5.523 0.083 7 0 "[ . 1 . 2]" 1 716 1 60 ILE MD 1 76 LYS H . . 3.920 3.287 3.254 3.332 . 0 0 "[ . 1 . 2]" 1 717 1 60 ILE MD 1 87 ILE H . . 4.310 4.268 4.225 4.324 0.014 20 0 "[ . 1 . 2]" 1 718 1 59 VAL H 1 60 ILE MD . . 5.040 4.797 4.722 4.842 . 0 0 "[ . 1 . 2]" 1 719 1 6 VAL H 1 60 ILE MD . . 4.720 3.509 3.418 3.564 . 0 0 "[ . 1 . 2]" 1 720 1 74 ILE H 1 74 ILE MG . . 3.880 3.805 3.787 3.826 . 0 0 "[ . 1 . 2]" 1 721 1 74 ILE MG 1 75 VAL H . . 3.760 3.158 3.112 3.237 . 0 0 "[ . 1 . 2]" 1 722 1 74 ILE HA 1 75 VAL HA . . 5.020 4.852 4.797 4.915 . 0 0 "[ . 1 . 2]" 1 723 1 74 ILE HA 1 74 ILE HG13 . . 3.400 2.754 2.690 2.798 . 0 0 "[ . 1 . 2]" 1 724 1 74 ILE HA 1 74 ILE HG12 . . 3.400 2.580 2.514 2.622 . 0 0 "[ . 1 . 2]" 1 725 1 74 ILE HA 1 74 ILE MG . . 3.050 2.551 2.530 2.589 . 0 0 "[ . 1 . 2]" 1 726 1 43 ALA MB 1 74 ILE HB . . 3.920 2.369 2.253 2.423 . 0 0 "[ . 1 . 2]" 1 727 1 74 ILE HB 1 75 VAL HA . . 5.060 4.686 4.645 4.738 . 0 0 "[ . 1 . 2]" 1 728 1 71 LEU HA 1 74 ILE HB . . 3.780 2.394 2.317 2.447 . 0 0 "[ . 1 . 2]" 1 729 1 74 ILE HG12 1 74 ILE MG . . 3.350 2.327 2.297 2.389 . 0 0 "[ . 1 . 2]" 1 730 1 74 ILE HG13 1 74 ILE MG . . 3.350 3.226 3.215 3.240 . 0 0 "[ . 1 . 2]" 1 731 1 74 ILE MG 1 75 VAL HA . . 3.810 3.445 3.374 3.529 . 0 0 "[ . 1 . 2]" 1 732 1 40 LYS HA 1 74 ILE MG . . 3.290 2.895 2.809 2.990 . 0 0 "[ . 1 . 2]" 1 733 1 71 LEU HA 1 74 ILE MG . . 3.740 3.743 3.726 3.761 0.021 14 0 "[ . 1 . 2]" 1 734 1 44 LYS H 1 74 ILE MG . . 3.910 3.298 3.166 3.417 . 0 0 "[ . 1 . 2]" 1 735 1 39 THR HA 1 74 ILE MD . . 4.850 4.924 4.906 4.952 0.102 14 0 "[ . 1 . 2]" 1 736 1 40 LYS HA 1 74 ILE MD . . 3.240 2.185 2.106 2.266 . 0 0 "[ . 1 . 2]" 1 737 1 74 ILE HB 1 74 ILE MD . . 3.140 2.390 2.369 2.406 . 0 0 "[ . 1 . 2]" 1 738 1 78 ILE HB 1 79 ILE H . . 3.910 2.908 2.867 2.945 . 0 0 "[ . 1 . 2]" 1 739 1 78 ILE H 1 78 ILE HG13 . . 4.010 2.603 2.561 2.645 . 0 0 "[ . 1 . 2]" 1 740 1 78 ILE HA 1 78 ILE HG13 . . 3.590 3.498 3.475 3.527 . 0 0 "[ . 1 . 2]" 1 741 1 75 VAL HA 1 78 ILE HG12 . . 4.620 4.663 4.650 4.680 0.060 10 0 "[ . 1 . 2]" 1 742 1 47 ALA H 1 78 ILE MD . . 4.330 4.293 4.173 4.348 0.018 14 0 "[ . 1 . 2]" 1 743 1 78 ILE H 1 78 ILE MD . . 4.050 4.043 4.014 4.071 0.021 20 0 "[ . 1 . 2]" 1 744 1 75 VAL HA 1 78 ILE HA . . 5.500 5.497 5.458 5.523 0.023 17 0 "[ . 1 . 2]" 1 745 1 78 ILE HA 1 78 ILE HG12 . . 3.170 2.364 2.343 2.400 . 0 0 "[ . 1 . 2]" 1 746 1 47 ALA MB 1 78 ILE HA . . 4.320 4.320 4.301 4.338 0.018 9 0 "[ . 1 . 2]" 1 747 1 78 ILE HB 1 79 ILE HG12 . . 4.500 3.158 3.082 3.213 . 0 0 "[ . 1 . 2]" 1 748 1 76 LYS H 1 78 ILE HB . . 5.500 5.523 5.510 5.537 0.037 1 0 "[ . 1 . 2]" 1 749 1 47 ALA MB 1 78 ILE MD . . 2.880 2.397 2.333 2.447 . 0 0 "[ . 1 . 2]" 1 750 1 48 GLU HB3 1 78 ILE MD . . 4.210 3.115 3.016 3.210 . 0 0 "[ . 1 . 2]" 1 751 1 75 VAL HA 1 78 ILE MD . . 4.190 4.132 4.081 4.194 0.004 1 0 "[ . 1 . 2]" 1 752 1 49 GLU H 1 78 ILE MD . . 5.500 5.546 5.525 5.566 0.066 10 0 "[ . 1 . 2]" 1 753 1 50 ALA H 1 78 ILE MG . . 5.260 5.233 5.153 5.291 0.031 7 0 "[ . 1 . 2]" 1 754 1 49 GLU H 1 78 ILE MG . . 4.790 4.770 4.688 4.816 0.026 18 0 "[ . 1 . 2]" 1 755 1 78 ILE MG 1 81 ARG H . . 5.370 5.204 5.039 5.299 . 0 0 "[ . 1 . 2]" 1 756 1 78 ILE MG 1 79 ILE HA . . 3.550 3.450 3.377 3.532 . 0 0 "[ . 1 . 2]" 1 757 1 75 VAL HA 1 78 ILE MG . . 4.460 4.275 4.225 4.314 . 0 0 "[ . 1 . 2]" 1 758 1 51 GLU HB3 1 78 ILE MG . . 4.360 3.501 3.342 3.745 . 0 0 "[ . 1 . 2]" 1 759 1 47 ALA MB 1 78 ILE MG . . 2.680 2.059 2.041 2.086 . 0 0 "[ . 1 . 2]" 1 760 1 78 ILE HG13 1 78 ILE MG . . 3.070 3.117 3.109 3.130 0.060 7 0 "[ . 1 . 2]" 1 761 1 79 ILE H 1 79 ILE HG13 . . 3.990 3.789 3.759 3.814 . 0 0 "[ . 1 . 2]" 1 762 1 78 ILE H 1 79 ILE HB . . 5.500 5.273 5.198 5.369 . 0 0 "[ . 1 . 2]" 1 763 1 79 ILE HB 1 82 ALA H . . 5.500 5.226 5.167 5.265 . 0 0 "[ . 1 . 2]" 1 764 1 79 ILE HA 1 81 ARG H . . 4.860 3.997 3.953 4.035 . 0 0 "[ . 1 . 2]" 1 765 1 79 ILE HA 1 82 ALA MB . . 3.120 2.029 2.001 2.077 . 0 0 "[ . 1 . 2]" 1 766 1 79 ILE HA 1 79 ILE HG12 . . 3.760 3.233 3.209 3.261 . 0 0 "[ . 1 . 2]" 1 767 1 79 ILE HA 1 84 ALA MB . . 4.450 4.259 4.177 4.307 . 0 0 "[ . 1 . 2]" 1 768 1 79 ILE HB 1 86 THR MG . . 4.020 2.561 2.497 2.677 . 0 0 "[ . 1 . 2]" 1 769 1 79 ILE HB 1 80 ALA HA . . 5.130 4.482 4.421 4.527 . 0 0 "[ . 1 . 2]" 1 770 1 79 ILE HB 1 81 ARG H . . 5.480 5.459 5.348 5.502 0.022 8 0 "[ . 1 . 2]" 1 771 1 79 ILE HA 1 79 ILE HG13 . . 3.850 3.768 3.756 3.783 . 0 0 "[ . 1 . 2]" 1 772 1 75 VAL HA 1 79 ILE HG13 . . 5.330 5.220 5.165 5.261 . 0 0 "[ . 1 . 2]" 1 773 1 34 ILE HG13 1 34 ILE MG . . 3.260 2.370 2.344 2.394 . 0 0 "[ . 1 . 2]" 1 774 1 79 ILE HA 1 79 ILE MG . . 3.080 2.219 2.192 2.246 . 0 0 "[ . 1 . 2]" 1 775 1 79 ILE HA 1 79 ILE MD . . 3.110 2.131 2.107 2.172 . 0 0 "[ . 1 . 2]" 1 776 1 4 ILE MD 1 33 GLU HB2 . . 2.950 2.209 2.157 2.279 . 0 0 "[ . 1 . 2]" 1 777 1 87 ILE HB 1 88 GLU H . . 3.700 2.312 2.255 2.366 . 0 0 "[ . 1 . 2]" 1 778 1 87 ILE H 1 87 ILE HG12 . . 3.930 2.837 2.790 2.863 . 0 0 "[ . 1 . 2]" 1 779 1 87 ILE MG 1 88 GLU H . . 3.410 3.333 3.297 3.372 . 0 0 "[ . 1 . 2]" 1 780 1 86 THR HA 1 87 ILE MG . . 4.460 3.875 3.816 3.934 . 0 0 "[ . 1 . 2]" 1 781 1 86 THR HA 1 87 ILE MD . . 4.790 2.673 2.608 2.754 . 0 0 "[ . 1 . 2]" 1 782 1 87 ILE HA 1 87 ILE MD . . 3.760 3.632 3.609 3.656 . 0 0 "[ . 1 . 2]" 1 783 1 87 ILE HA 1 88 GLU HA . . 4.530 4.451 4.393 4.479 . 0 0 "[ . 1 . 2]" 1 784 1 87 ILE HA 1 87 ILE HG12 . . 3.920 3.744 3.723 3.758 . 0 0 "[ . 1 . 2]" 1 785 1 59 VAL HA 1 87 ILE HB . . 4.450 4.486 4.465 4.513 0.063 8 0 "[ . 1 . 2]" 1 786 1 87 ILE HB 1 88 GLU HA . . 5.450 4.473 4.402 4.506 . 0 0 "[ . 1 . 2]" 1 787 1 60 ILE H 1 87 ILE HB . . 4.750 4.755 4.671 4.781 0.031 20 0 "[ . 1 . 2]" 1 788 1 60 ILE H 1 87 ILE HG12 . . 4.770 3.056 2.969 3.090 . 0 0 "[ . 1 . 2]" 1 789 1 87 ILE HG13 1 101 LYS H . . 5.500 5.404 5.263 5.509 0.009 1 0 "[ . 1 . 2]" 1 790 1 86 THR HA 1 87 ILE HG13 . . 5.500 5.438 5.407 5.489 . 0 0 "[ . 1 . 2]" 1 791 1 87 ILE HG12 1 88 GLU HA . . 5.500 4.435 4.342 4.504 . 0 0 "[ . 1 . 2]" 1 792 1 59 VAL HA 1 87 ILE HG12 . . 4.340 2.084 2.056 2.130 . 0 0 "[ . 1 . 2]" 1 793 1 59 VAL HA 1 87 ILE HG13 . . 4.530 3.508 3.442 3.596 . 0 0 "[ . 1 . 2]" 1 794 1 87 ILE MG 1 98 ALA HA . . 3.870 3.769 3.437 3.888 0.018 11 0 "[ . 1 . 2]" 1 795 1 60 ILE H 1 87 ILE MD . . 4.710 3.458 3.372 3.576 . 0 0 "[ . 1 . 2]" 1 796 1 85 LYS H 1 87 ILE MD . . 5.500 5.485 5.419 5.535 0.035 2 0 "[ . 1 . 2]" 1 797 1 87 ILE MD 1 104 GLY H . . 5.500 5.490 5.307 5.540 0.040 7 0 "[ . 1 . 2]" 1 798 1 87 ILE MD 1 102 ALA H . . 4.430 4.011 3.897 4.085 . 0 0 "[ . 1 . 2]" 1 799 1 87 ILE MD 1 88 GLU HA . . 5.410 5.440 5.416 5.454 0.044 7 0 "[ . 1 . 2]" 1 800 1 59 VAL HA 1 87 ILE MD . . 4.180 2.116 2.059 2.160 . 0 0 "[ . 1 . 2]" 1 801 1 87 ILE MD 1 99 VAL HA . . 4.670 4.230 3.893 4.510 . 0 0 "[ . 1 . 2]" 1 802 1 59 VAL HB 1 87 ILE MD . . 4.180 4.131 2.873 4.216 0.036 17 0 "[ . 1 . 2]" 1 803 1 87 ILE HB 1 87 ILE MD . . 3.220 3.252 3.241 3.261 0.041 10 0 "[ . 1 . 2]" 1 804 1 95 LEU HA 1 95 LEU MD2 . . 3.850 3.280 2.303 3.893 0.043 7 0 "[ . 1 . 2]" 1 805 1 2 ARG HA 1 56 ASP HB3 . . 5.420 5.258 4.912 5.594 0.174 12 0 "[ . 1 . 2]" 1 806 1 2 ARG HD3 1 55 ALA MB . . 4.400 4.003 3.782 4.163 . 0 0 "[ . 1 . 2]" 1 807 1 34 ILE H 1 35 ARG HA . . 5.470 5.382 5.337 5.417 . 0 0 "[ . 1 . 2]" 1 808 1 35 ARG HA 1 35 ARG HD2 . . 4.020 3.789 3.629 3.869 . 0 0 "[ . 1 . 2]" 1 809 1 35 ARG HA 1 35 ARG HD3 . . 4.120 4.231 4.209 4.259 0.139 14 0 "[ . 1 . 2]" 1 810 1 34 ILE HB 1 35 ARG HA . . 4.620 4.579 4.528 4.622 0.002 20 0 "[ . 1 . 2]" 1 811 1 35 ARG HA 1 36 THR MG . . 4.500 3.395 3.286 3.453 . 0 0 "[ . 1 . 2]" 1 812 1 4 ILE MG 1 35 ARG HD2 . . 4.550 3.803 3.657 4.000 . 0 0 "[ . 1 . 2]" 1 813 1 4 ILE MD 1 35 ARG HD2 . . 5.220 4.248 4.121 4.480 . 0 0 "[ . 1 . 2]" 1 814 1 35 ARG HD2 1 46 VAL MG1 . . 5.500 4.333 3.881 4.449 . 0 0 "[ . 1 . 2]" 1 815 1 35 ARG HD2 1 46 VAL MG2 . . 5.500 5.308 4.356 5.509 0.009 2 0 "[ . 1 . 2]" 1 816 1 4 ILE MG 1 35 ARG HD3 . . 3.750 2.687 2.647 2.753 . 0 0 "[ . 1 . 2]" 1 817 1 35 ARG HB3 1 35 ARG HD2 . . 4.230 2.171 2.113 2.201 . 0 0 "[ . 1 . 2]" 1 818 1 33 GLU HB3 1 35 ARG HD2 . . 4.910 3.425 3.155 3.731 . 0 0 "[ . 1 . 2]" 1 819 1 34 ILE HA 1 35 ARG HD2 . . 4.050 3.658 3.614 3.712 . 0 0 "[ . 1 . 2]" 1 820 1 34 ILE HA 1 35 ARG HD3 . . 3.630 3.082 3.028 3.113 . 0 0 "[ . 1 . 2]" 1 821 1 5 VAL H 1 35 ARG HD3 . . 5.310 3.718 3.628 3.794 . 0 0 "[ . 1 . 2]" 1 822 1 7 ILE H 1 35 ARG HB2 . . 5.500 5.330 5.257 5.381 . 0 0 "[ . 1 . 2]" 1 823 1 35 ARG HB3 1 46 VAL HA . . 5.500 5.587 5.561 5.604 0.104 7 0 "[ . 1 . 2]" 1 824 1 4 ILE HG13 1 55 ALA HA . . 3.810 3.280 3.178 3.374 . 0 0 "[ . 1 . 2]" 1 825 1 71 LEU HA 1 71 LEU HG . . 3.930 3.736 3.660 3.823 . 0 0 "[ . 1 . 2]" 1 826 1 71 LEU H 1 71 LEU HG . . 3.980 3.645 3.572 3.713 . 0 0 "[ . 1 . 2]" 1 827 1 4 ILE MD 1 53 ARG HG2 . . 3.730 3.301 3.082 3.510 . 0 0 "[ . 1 . 2]" 1 828 1 52 ARG H 1 52 ARG HB3 . . 3.770 3.740 3.699 3.776 0.006 15 0 "[ . 1 . 2]" 1 829 1 51 GLU HA 1 55 ALA MB . . 4.570 4.488 4.428 4.561 . 0 0 "[ . 1 . 2]" 1 830 1 53 ARG HG3 1 54 ASN H . . 4.490 4.008 3.558 4.380 . 0 0 "[ . 1 . 2]" 1 831 1 53 ARG HA 1 54 ASN HB3 . . 5.400 5.433 5.421 5.450 0.050 17 0 "[ . 1 . 2]" 1 832 1 53 ARG HA 1 54 ASN HB2 . . 4.690 3.774 3.737 3.876 . 0 0 "[ . 1 . 2]" 1 833 1 53 ARG HA 1 53 ARG HG2 . . 3.630 3.643 3.626 3.655 0.025 2 0 "[ . 1 . 2]" 1 834 1 81 ARG HA 1 82 ALA H . . 3.490 3.493 3.465 3.510 0.020 6 0 "[ . 1 . 2]" 1 835 1 80 ALA MB 1 81 ARG HA . . 4.050 4.071 4.061 4.080 0.030 2 0 "[ . 1 . 2]" 1 836 1 77 LYS HA 1 80 ALA H . . 3.530 3.507 3.409 3.567 0.037 1 0 "[ . 1 . 2]" 1 837 1 37 VAL HA 1 42 ASP HB3 . . 3.520 2.079 2.030 2.127 . 0 0 "[ . 1 . 2]" 1 838 1 44 LYS HB2 1 78 ILE MD . . 3.200 3.128 2.947 3.202 0.002 3 0 "[ . 1 . 2]" 1 839 1 68 LYS HD2 1 69 SER HA . . 5.150 4.263 2.521 5.210 0.060 1 0 "[ . 1 . 2]" 1 840 1 85 LYS HG2 1 86 THR H . . 5.500 4.996 4.864 5.073 . 0 0 "[ . 1 . 2]" 1 841 1 85 LYS H 1 85 LYS HG2 . . 3.360 2.050 1.915 2.255 . 0 0 "[ . 1 . 2]" 1 842 1 57 ILE HG12 1 85 LYS HG2 . . 4.000 3.549 3.393 3.736 . 0 0 "[ . 1 . 2]" 1 843 1 85 LYS HG2 1 106 TRP HD1 . . 5.360 2.976 2.799 3.106 . 0 0 "[ . 1 . 2]" 1 844 1 57 ILE HA 1 85 LYS HG2 . . 3.940 3.022 2.902 3.155 . 0 0 "[ . 1 . 2]" 1 845 1 26 LYS HA 1 31 ASP H . . 5.460 5.229 5.148 5.326 . 0 0 "[ . 1 . 2]" 1 846 1 26 LYS HA 1 34 ILE H . . 5.500 5.548 5.516 5.571 0.071 14 0 "[ . 1 . 2]" 1 847 1 26 LYS HA 1 30 PRO HA . . 4.670 3.269 3.208 3.388 . 0 0 "[ . 1 . 2]" 1 848 1 26 LYS HA 1 29 VAL HA . . 5.000 5.050 5.022 5.079 0.079 12 0 "[ . 1 . 2]" 1 849 1 26 LYS HA 1 30 PRO HD3 . . 5.380 4.801 4.705 4.966 . 0 0 "[ . 1 . 2]" 1 850 1 25 ALA MB 1 26 LYS HA . . 4.270 3.859 3.823 3.892 . 0 0 "[ . 1 . 2]" 1 851 1 26 LYS HA 1 34 ILE MD . . 3.390 3.334 3.208 3.404 0.014 3 0 "[ . 1 . 2]" 1 852 1 26 LYS HB2 1 34 ILE HG12 . . 3.330 2.782 2.706 2.877 . 0 0 "[ . 1 . 2]" 1 853 1 73 LYS HA 1 76 LYS HB3 . . 3.600 2.159 2.078 2.621 . 0 0 "[ . 1 . 2]" 1 854 1 58 VAL MG2 1 85 LYS HG3 . . 4.020 4.202 4.178 4.261 0.241 4 0 "[ . 1 . 2]" 1 855 1 40 LYS H 1 40 LYS HG2 . . 4.530 3.625 3.293 3.853 . 0 0 "[ . 1 . 2]" 1 856 1 44 LYS HA 1 48 GLU H . . 4.190 3.607 3.512 3.661 . 0 0 "[ . 1 . 2]" 1 857 1 39 THR HA 1 40 LYS HA . . 4.300 4.267 4.178 4.313 0.013 5 0 "[ . 1 . 2]" 1 858 1 40 LYS HA 1 43 ALA MB . . 2.860 2.541 2.459 2.650 . 0 0 "[ . 1 . 2]" 1 859 1 44 LYS HA 1 44 LYS HG3 . . 3.700 2.277 2.238 2.326 . 0 0 "[ . 1 . 2]" 1 860 1 44 LYS HA 1 78 ILE MD . . 2.970 2.053 1.995 2.089 . 0 0 "[ . 1 . 2]" 1 861 1 40 LYS HB2 1 41 GLU H . . 4.100 3.998 3.894 4.062 . 0 0 "[ . 1 . 2]" 1 862 1 44 LYS HG3 1 78 ILE MD . . 3.870 2.176 2.128 2.230 . 0 0 "[ . 1 . 2]" 1 863 1 38 THR MG 1 42 ASP HB3 . . 3.900 3.901 3.730 3.959 0.059 11 0 "[ . 1 . 2]" 1 864 1 37 VAL H 1 42 ASP HB3 . . 4.860 4.911 4.884 4.932 0.072 14 0 "[ . 1 . 2]" 1 865 1 44 LYS H 1 44 LYS HB2 . . 2.960 2.564 2.491 2.665 . 0 0 "[ . 1 . 2]" 1 866 1 44 LYS H 1 44 LYS HG2 . . 4.530 4.549 4.529 4.572 0.042 16 0 "[ . 1 . 2]" 1 867 1 85 LYS H 1 85 LYS HG3 . . 3.420 3.022 2.921 3.194 . 0 0 "[ . 1 . 2]" 1 868 1 57 ILE HA 1 85 LYS HG3 . . 4.210 2.786 2.619 3.119 . 0 0 "[ . 1 . 2]" 1 869 1 44 LYS HA 1 44 LYS HG2 . . 3.700 3.345 3.298 3.406 . 0 0 "[ . 1 . 2]" 1 870 1 44 LYS HG2 1 78 ILE MD . . 3.870 3.595 3.538 3.653 . 0 0 "[ . 1 . 2]" 1 871 1 44 LYS HA 1 47 ALA H . . 3.920 3.881 3.753 3.933 0.013 15 0 "[ . 1 . 2]" 1 872 1 44 LYS HA 1 48 GLU HB3 . . 4.160 4.177 4.121 4.213 0.053 17 0 "[ . 1 . 2]" 1 873 1 68 LYS HB2 1 69 SER H . . 4.800 4.265 3.164 4.563 . 0 0 "[ . 1 . 2]" 1 874 1 76 LYS HA 1 79 ILE H . . 4.410 3.457 3.374 3.591 . 0 0 "[ . 1 . 2]" 1 875 1 76 LYS HA 1 78 ILE H . . 4.910 4.464 4.372 4.579 . 0 0 "[ . 1 . 2]" 1 876 1 60 ILE MD 1 76 LYS HA . . 3.410 3.335 3.267 3.407 . 0 0 "[ . 1 . 2]" 1 877 1 76 LYS HA 1 79 ILE HB . . 3.610 3.334 3.261 3.465 . 0 0 "[ . 1 . 2]" 1 878 1 84 ALA MB 1 85 LYS HG2 . . 4.130 3.800 3.636 3.947 . 0 0 "[ . 1 . 2]" 1 879 1 85 LYS HA 1 85 LYS HG3 . . 3.840 3.716 3.677 3.737 . 0 0 "[ . 1 . 2]" 1 880 1 85 LYS HA 1 86 THR HA . . 4.700 4.391 4.358 4.416 . 0 0 "[ . 1 . 2]" 1 881 1 85 LYS HB3 1 106 TRP HD1 . . 4.860 4.702 4.582 4.877 0.017 15 0 "[ . 1 . 2]" 1 882 1 85 LYS HG3 1 106 TRP HD1 . . 5.360 3.918 3.771 4.030 . 0 0 "[ . 1 . 2]" 1 883 1 85 LYS HG3 1 86 THR HA . . 5.360 4.399 4.336 4.506 . 0 0 "[ . 1 . 2]" 1 884 1 90 THR H 1 90 THR MG . . 3.510 2.887 2.331 3.623 0.113 8 0 "[ . 1 . 2]" 1 885 1 9 GLY HA3 1 37 VAL H . . 5.500 4.425 4.128 4.764 . 0 0 "[ . 1 . 2]" 1 886 1 9 GLY HA2 1 37 VAL H . . 5.500 5.201 5.026 5.499 . 0 0 "[ . 1 . 2]" 1 887 1 9 GLY HA2 1 36 THR MG . . 5.500 4.784 4.225 5.156 . 0 0 "[ . 1 . 2]" 1 888 1 9 GLY HA3 1 36 THR MG . . 5.500 3.323 2.666 3.733 . 0 0 "[ . 1 . 2]" 1 889 1 16 THR HA 1 20 GLU H . . 5.500 4.065 3.919 4.184 . 0 0 "[ . 1 . 2]" 1 890 1 16 THR HA 1 20 GLU HB3 . . 5.500 5.357 5.090 5.518 0.018 8 0 "[ . 1 . 2]" 1 891 1 17 THR MG 1 19 ASP H . . 4.030 4.097 4.085 4.135 0.105 10 0 "[ . 1 . 2]" 1 892 1 17 THR MG 1 18 LEU H . . 4.560 2.038 1.920 2.889 . 0 0 "[ . 1 . 2]" 1 893 1 17 THR HA 1 17 THR MG . . 3.460 3.171 2.395 3.272 . 0 0 "[ . 1 . 2]" 1 894 1 10 PRO HA 1 36 THR MG . . 4.380 4.101 3.415 4.417 0.037 7 0 "[ . 1 . 2]" 1 895 1 4 ILE HB 1 58 VAL H . . 5.020 5.036 4.997 5.066 0.046 20 0 "[ . 1 . 2]" 1 896 1 95 LEU HA 1 95 LEU MD1 . . 3.850 3.356 2.196 3.941 0.091 13 0 "[ . 1 . 2]" 1 897 1 95 LEU HA 1 95 LEU HG . . 3.870 3.037 2.479 3.843 . 0 0 "[ . 1 . 2]" 1 898 1 1 MET HG2 1 57 ILE MD . . 3.710 3.174 2.796 3.716 0.006 10 0 "[ . 1 . 2]" 1 899 1 1 MET HB3 1 2 ARG H . . 5.500 4.081 3.681 4.583 . 0 0 "[ . 1 . 2]" 1 900 1 1 MET HB2 1 2 ARG H . . 5.500 3.313 2.205 4.760 . 0 0 "[ . 1 . 2]" 1 901 1 1 MET HB3 1 106 TRP HH2 . . 5.500 3.265 2.490 4.261 . 0 0 "[ . 1 . 2]" 1 902 1 1 MET HB2 1 106 TRP HH2 . . 5.500 3.659 2.394 4.504 . 0 0 "[ . 1 . 2]" 1 903 1 1 MET HB3 1 106 TRP HZ2 . . 5.500 3.406 2.448 4.997 . 0 0 "[ . 1 . 2]" 1 904 1 1 MET HB2 1 106 TRP HZ2 . . 5.500 3.070 2.614 3.372 . 0 0 "[ . 1 . 2]" 1 905 1 87 ILE MG 1 102 ALA MB . . 3.200 1.964 1.925 2.018 . 0 0 "[ . 1 . 2]" 1 906 1 54 ASN HB3 1 56 ASP H . . 5.500 4.633 4.372 4.710 . 0 0 "[ . 1 . 2]" 1 907 1 54 ASN HB2 1 56 ASP H . . 5.500 5.545 5.526 5.572 0.072 14 0 "[ . 1 . 2]" 1 908 1 56 ASP HB3 1 106 TRP HD1 . . 5.500 4.407 4.165 4.720 . 0 0 "[ . 1 . 2]" 1 909 1 56 ASP HB2 1 106 TRP HZ2 . . 5.500 4.870 4.408 5.154 . 0 0 "[ . 1 . 2]" 1 910 1 57 ILE MD 1 106 TRP HA . . 4.660 4.553 4.457 4.657 . 0 0 "[ . 1 . 2]" 1 911 1 88 GLU HA 1 89 VAL MG2 . . 4.740 4.146 3.941 4.445 . 0 0 "[ . 1 . 2]" 1 912 1 37 VAL MG2 1 43 ALA H . . 3.810 2.924 2.789 2.998 . 0 0 "[ . 1 . 2]" 1 913 1 37 VAL MG2 1 42 ASP HB2 . . 3.840 2.864 2.567 3.144 . 0 0 "[ . 1 . 2]" 1 914 1 37 VAL MG2 1 42 ASP HB3 . . 3.510 3.561 3.544 3.576 0.066 18 0 "[ . 1 . 2]" 1 915 1 89 VAL HA 1 98 ALA MB . . 3.720 2.064 1.976 2.161 . 0 0 "[ . 1 . 2]" 1 916 1 89 VAL HA 1 99 VAL H . . 4.310 4.306 4.065 4.385 0.075 2 0 "[ . 1 . 2]" 1 917 1 106 TRP H 1 109 GLU HG3 . . 4.000 4.019 3.923 4.049 0.049 13 0 "[ . 1 . 2]" 1 918 1 89 VAL H 1 89 VAL MG1 . . 3.610 2.217 2.001 2.502 . 0 0 "[ . 1 . 2]" 1 919 1 70 THR MG 1 74 ILE MD . . 2.660 2.403 2.205 2.555 . 0 0 "[ . 1 . 2]" 1 920 1 69 SER HA 1 70 THR HA . . 4.990 4.910 4.766 5.008 0.018 14 0 "[ . 1 . 2]" 1 921 1 22 ALA MB 1 34 ILE MG . . 2.560 2.324 2.256 2.403 . 0 0 "[ . 1 . 2]" 1 922 1 26 LYS HB2 1 34 ILE HG13 . . 3.580 2.497 2.450 2.543 . 0 0 "[ . 1 . 2]" 1 923 1 85 LYS HG2 1 86 THR HA . . 5.500 5.590 5.527 5.635 0.135 15 0 "[ . 1 . 2]" 1 924 1 4 ILE HG13 1 56 ASP H . . 5.500 5.271 5.093 5.345 . 0 0 "[ . 1 . 2]" 1 925 1 2 ARG HD2 1 55 ALA HA . . 4.610 2.710 2.485 3.012 . 0 0 "[ . 1 . 2]" 1 926 1 2 ARG HA 1 2 ARG HD2 . . 4.860 4.623 4.572 4.648 . 0 0 "[ . 1 . 2]" 1 927 1 2 ARG HA 1 2 ARG HD3 . . 4.860 4.625 4.507 4.718 . 0 0 "[ . 1 . 2]" 1 928 1 2 ARG HD3 1 3 VAL H . . 5.410 4.513 4.332 4.961 . 0 0 "[ . 1 . 2]" 1 929 1 64 SER H 1 90 THR MG . . 4.020 3.670 3.533 3.803 . 0 0 "[ . 1 . 2]" 1 930 1 2 ARG H 1 2 ARG HG3 . . 4.750 4.564 4.438 4.751 0.001 10 0 "[ . 1 . 2]" 1 931 1 58 VAL MG1 1 86 THR HA . . 4.570 4.582 4.542 4.596 0.026 19 0 "[ . 1 . 2]" 1 932 1 37 VAL MG2 1 38 THR H . . 4.490 2.758 2.642 2.928 . 0 0 "[ . 1 . 2]" 1 933 1 33 GLU H 1 34 ILE MD . . 3.880 3.301 3.197 3.441 . 0 0 "[ . 1 . 2]" 1 934 1 78 ILE HA 1 78 ILE MG . . 3.020 2.424 2.407 2.444 . 0 0 "[ . 1 . 2]" 1 935 1 39 THR HA 1 71 LEU HB3 . . 5.500 4.396 4.069 4.708 . 0 0 "[ . 1 . 2]" 1 936 1 2 ARG HB2 1 55 ALA HA . . 3.790 3.677 3.617 3.791 0.001 10 0 "[ . 1 . 2]" 1 937 1 2 ARG HB3 1 55 ALA HA . . 3.590 2.087 2.054 2.180 . 0 0 "[ . 1 . 2]" 1 938 1 2 ARG HA 1 55 ALA HA . . 4.920 4.617 4.569 4.743 . 0 0 "[ . 1 . 2]" 1 939 1 2 ARG HE 1 53 ARG HG3 . . 5.500 3.778 3.467 4.104 . 0 0 "[ . 1 . 2]" 1 940 1 10 PRO HA 1 18 LEU MD1 . . 3.780 3.506 2.783 3.818 0.038 18 0 "[ . 1 . 2]" 1 941 1 13 ALA MB 1 63 PRO HB2 . . 5.130 4.941 4.361 5.144 0.014 10 0 "[ . 1 . 2]" 1 942 1 23 ARG HA 1 23 ARG HG3 . . 2.940 2.715 2.603 2.820 . 0 0 "[ . 1 . 2]" 1 943 1 29 VAL MG2 1 30 PRO HD3 . . 4.610 4.645 4.631 4.654 0.044 12 0 "[ . 1 . 2]" 1 944 1 30 PRO HD2 1 31 ASP HB2 . . 5.490 4.303 3.962 4.568 . 0 0 "[ . 1 . 2]" 1 945 1 37 VAL HA 1 43 ALA H . . 4.850 4.710 4.608 4.775 . 0 0 "[ . 1 . 2]" 1 946 1 7 ILE MG 1 36 THR MG . . 3.140 3.150 3.105 3.164 0.024 2 0 "[ . 1 . 2]" 1 947 1 41 GLU HA 1 41 GLU HB2 . . 2.950 2.473 2.431 2.500 . 0 0 "[ . 1 . 2]" 1 948 1 41 GLU HA 1 41 GLU HG3 . . 3.840 3.827 3.777 3.865 0.025 20 0 "[ . 1 . 2]" 1 949 1 46 VAL H 1 46 VAL HB . . 3.940 3.438 2.175 3.679 . 0 0 "[ . 1 . 2]" 1 950 1 35 ARG HD3 1 46 VAL MG1 . . 5.060 4.315 3.380 4.555 . 0 0 "[ . 1 . 2]" 1 951 1 53 ARG H 1 53 ARG HG3 . . 3.650 3.620 3.406 3.681 0.031 14 0 "[ . 1 . 2]" 1 952 1 51 GLU HA 1 54 ASN HA . . 3.940 2.963 2.901 3.029 . 0 0 "[ . 1 . 2]" 1 953 1 57 ILE HG12 1 106 TRP HD1 . . 5.440 2.600 2.458 2.740 . 0 0 "[ . 1 . 2]" 1 954 1 57 ILE HG13 1 106 TRP HD1 . . 5.500 4.216 4.086 4.343 . 0 0 "[ . 1 . 2]" 1 955 1 56 ASP H 1 57 ILE HG13 . . 5.110 4.649 4.528 4.747 . 0 0 "[ . 1 . 2]" 1 956 1 56 ASP H 1 57 ILE HG12 . . 5.500 5.516 5.493 5.535 0.035 12 0 "[ . 1 . 2]" 1 957 1 57 ILE HA 1 57 ILE MD . . 4.120 3.997 3.942 4.024 . 0 0 "[ . 1 . 2]" 1 958 1 6 VAL H 1 60 ILE HB . . 5.500 5.609 5.589 5.660 0.160 7 0 "[ . 1 . 2]" 1 959 1 7 ILE HG13 1 61 VAL HB . . 4.210 2.128 2.093 2.162 . 0 0 "[ . 1 . 2]" 1 960 1 63 PRO HD2 1 64 SER H . . 4.410 3.104 2.612 3.676 . 0 0 "[ . 1 . 2]" 1 961 1 71 LEU HB2 1 73 LYS H . . 5.500 5.348 5.149 5.466 . 0 0 "[ . 1 . 2]" 1 962 1 71 LEU HB2 1 74 ILE H . . 5.500 5.455 5.278 5.535 0.035 14 0 "[ . 1 . 2]" 1 963 1 74 ILE H 1 75 VAL HB . . 5.080 4.926 4.864 5.074 . 0 0 "[ . 1 . 2]" 1 964 1 78 ILE HA 1 78 ILE MD . . 3.370 3.392 3.369 3.403 0.033 7 0 "[ . 1 . 2]" 1 965 1 79 ILE HB 1 79 ILE MD . . 3.300 3.285 3.279 3.292 . 0 0 "[ . 1 . 2]" 1 966 1 88 GLU HA 1 89 VAL MG1 . . 4.740 3.803 3.624 4.191 . 0 0 "[ . 1 . 2]" 1 967 1 96 ARG HA 1 99 VAL H . . 4.130 3.663 3.136 4.001 . 0 0 "[ . 1 . 2]" 1 968 1 40 LYS HA 1 42 ASP H . . 4.650 4.601 4.412 4.665 0.015 13 0 "[ . 1 . 2]" 1 969 1 99 VAL HA 1 100 ALA MB . . 5.100 5.055 5.027 5.076 . 0 0 "[ . 1 . 2]" 1 970 1 16 THR MG 1 17 THR HA . . 4.200 4.079 3.754 4.212 0.012 16 0 "[ . 1 . 2]" 1 971 1 14 GLY H 1 15 LYS H . . 5.500 4.210 2.251 4.403 . 0 0 "[ . 1 . 2]" 1 972 1 61 VAL H 1 61 VAL HB . . 3.650 2.687 2.622 2.735 . 0 0 "[ . 1 . 2]" 1 973 1 6 VAL HB 1 61 VAL H . . 3.880 3.870 3.778 3.904 0.024 10 0 "[ . 1 . 2]" 1 974 1 60 ILE HB 1 61 VAL H . . 4.440 3.880 3.790 4.217 . 0 0 "[ . 1 . 2]" 1 975 1 60 ILE MG 1 61 VAL H . . 3.120 2.555 2.435 3.125 0.005 7 0 "[ . 1 . 2]" 1 976 1 56 ASP HB3 1 106 TRP HE1 . . 4.420 3.105 2.871 3.440 . 0 0 "[ . 1 . 2]" 1 977 1 5 VAL H 1 5 VAL HB . . 3.400 2.901 2.694 2.943 . 0 0 "[ . 1 . 2]" 1 978 1 34 ILE HB 1 35 ARG H . . 4.170 4.065 4.026 4.097 . 0 0 "[ . 1 . 2]" 1 979 1 60 ILE H 1 60 ILE HB . . 3.360 2.625 2.548 2.674 . 0 0 "[ . 1 . 2]" 1 980 1 4 ILE HB 1 5 VAL H . . 4.130 4.086 4.045 4.115 . 0 0 "[ . 1 . 2]" 1 981 1 60 ILE H 1 60 ILE HG13 . . 3.770 3.541 3.501 3.630 . 0 0 "[ . 1 . 2]" 1 982 1 35 ARG H 1 35 ARG HG3 . . 4.210 4.245 4.225 4.259 0.049 17 0 "[ . 1 . 2]" 1 983 1 5 VAL H 1 25 ALA MB . . 5.250 5.172 5.028 5.259 0.009 8 0 "[ . 1 . 2]" 1 984 1 5 VAL H 1 32 ALA MB . . 4.120 3.969 3.878 4.086 . 0 0 "[ . 1 . 2]" 1 985 1 35 ARG H 1 36 THR MG . . 4.590 4.524 4.406 4.611 0.021 4 0 "[ . 1 . 2]" 1 986 1 4 ILE HG12 1 5 VAL H . . 4.290 3.734 3.689 3.827 . 0 0 "[ . 1 . 2]" 1 987 1 34 ILE MG 1 35 ARG H . . 3.180 2.721 2.660 2.793 . 0 0 "[ . 1 . 2]" 1 988 1 5 VAL H 1 34 ILE MG . . 3.780 3.685 3.612 3.770 . 0 0 "[ . 1 . 2]" 1 989 1 60 ILE H 1 60 ILE HG12 . . 3.770 2.176 2.121 2.340 . 0 0 "[ . 1 . 2]" 1 990 1 4 ILE MG 1 5 VAL H . . 2.810 2.378 2.334 2.453 . 0 0 "[ . 1 . 2]" 1 991 1 6 VAL H 1 6 VAL HB . . 3.420 2.701 2.592 2.760 . 0 0 "[ . 1 . 2]" 1 992 1 6 VAL HB 1 7 ILE H . . 3.900 3.952 3.935 3.972 0.072 5 0 "[ . 1 . 2]" 1 993 1 7 ILE H 1 35 ARG HG2 . . 4.350 4.127 4.038 4.232 . 0 0 "[ . 1 . 2]" 1 994 1 7 ILE H 1 7 ILE HG13 . . 4.170 3.696 3.661 3.760 . 0 0 "[ . 1 . 2]" 1 995 1 59 VAL H 1 59 VAL HB . . 3.560 2.443 2.347 2.599 . 0 0 "[ . 1 . 2]" 1 996 1 4 ILE HB 1 59 VAL H . . 4.260 4.187 4.084 4.272 0.012 19 0 "[ . 1 . 2]" 1 997 1 3 VAL HB 1 4 ILE H . . 4.150 4.101 4.057 4.152 0.002 3 0 "[ . 1 . 2]" 1 998 1 4 ILE H 1 4 ILE HB . . 3.750 2.668 2.631 2.701 . 0 0 "[ . 1 . 2]" 1 999 1 4 ILE H 1 4 ILE HG13 . . 4.190 3.487 3.440 3.538 . 0 0 "[ . 1 . 2]" 1 1000 1 4 ILE H 1 58 VAL MG1 . . 4.340 3.742 3.688 3.796 . 0 0 "[ . 1 . 2]" 1 1001 1 2 ARG HG2 1 3 VAL H . . 3.900 2.610 2.462 2.946 . 0 0 "[ . 1 . 2]" 1 1002 1 58 VAL H 1 85 LYS HG3 . . 4.280 3.570 3.481 3.820 . 0 0 "[ . 1 . 2]" 1 1003 1 57 ILE HG13 1 58 VAL H . . 5.500 5.358 5.323 5.401 . 0 0 "[ . 1 . 2]" 1 1004 1 58 VAL H 1 84 ALA MB . . 4.090 3.951 3.905 4.038 . 0 0 "[ . 1 . 2]" 1 1005 1 58 VAL H 1 87 ILE MD . . 4.060 3.227 3.186 3.272 . 0 0 "[ . 1 . 2]" 1 1006 1 88 GLU H 1 88 GLU HB3 . . 3.950 3.765 3.706 3.790 . 0 0 "[ . 1 . 2]" 1 1007 1 88 GLU H 1 88 GLU HB2 . . 3.950 2.642 2.578 2.689 . 0 0 "[ . 1 . 2]" 1 1008 1 87 ILE HG12 1 88 GLU H . . 4.220 3.880 3.833 3.936 . 0 0 "[ . 1 . 2]" 1 1009 1 87 ILE HG13 1 88 GLU H . . 4.510 4.453 4.369 4.518 0.008 8 0 "[ . 1 . 2]" 1 1010 1 34 ILE H 1 34 ILE HB . . 3.000 2.814 2.790 2.840 . 0 0 "[ . 1 . 2]" 1 1011 1 34 ILE H 1 34 ILE HG12 . . 3.390 2.124 2.102 2.144 . 0 0 "[ . 1 . 2]" 1 1012 1 34 ILE H 1 34 ILE HG13 . . 3.590 3.646 3.631 3.667 0.077 3 0 "[ . 1 . 2]" 1 1013 1 34 ILE H 1 34 ILE MG . . 3.820 3.838 3.831 3.846 0.026 15 0 "[ . 1 . 2]" 1 1014 1 34 ILE H 1 34 ILE MD . . 3.480 2.959 2.868 3.003 . 0 0 "[ . 1 . 2]" 1 1015 1 58 VAL HB 1 87 ILE H . . 4.470 4.355 4.304 4.404 . 0 0 "[ . 1 . 2]" 1 1016 1 87 ILE H 1 87 ILE HB . . 3.820 3.840 3.833 3.851 0.031 19 0 "[ . 1 . 2]" 1 1017 1 47 ALA H 1 78 ILE HB . . 4.920 4.940 4.890 4.958 0.038 7 0 "[ . 1 . 2]" 1 1018 1 47 ALA H 1 48 GLU HB3 . . 5.420 5.080 4.906 5.152 . 0 0 "[ . 1 . 2]" 1 1019 1 47 ALA H 1 49 GLU HB2 . . 5.500 5.197 5.018 5.450 . 0 0 "[ . 1 . 2]" 1 1020 1 46 VAL HB 1 47 ALA H . . 3.720 3.666 2.761 3.863 0.143 14 0 "[ . 1 . 2]" 1 1021 1 47 ALA H 1 79 ILE MD . . 4.600 4.581 4.502 4.615 0.015 12 0 "[ . 1 . 2]" 1 1022 1 47 ALA H 1 47 ALA MB . . 2.820 2.181 2.167 2.200 . 0 0 "[ . 1 . 2]" 1 1023 1 47 ALA H 1 50 ALA MB . . 4.990 4.678 4.619 4.783 . 0 0 "[ . 1 . 2]" 1 1024 1 85 LYS H 1 85 LYS HB3 . . 3.270 3.017 2.917 3.177 . 0 0 "[ . 1 . 2]" 1 1025 1 79 ILE MG 1 85 LYS H . . 4.800 4.307 4.027 4.503 . 0 0 "[ . 1 . 2]" 1 1026 1 57 ILE MG 1 85 LYS H . . 4.270 4.297 4.284 4.321 0.051 5 0 "[ . 1 . 2]" 1 1027 1 29 VAL HB 1 32 ALA H . . 4.020 3.070 2.901 3.266 . 0 0 "[ . 1 . 2]" 1 1028 1 80 ALA H 1 84 ALA MB . . 5.500 5.494 5.371 5.520 0.020 8 0 "[ . 1 . 2]" 1 1029 1 79 ILE HB 1 80 ALA H . . 3.410 3.183 3.118 3.242 . 0 0 "[ . 1 . 2]" 1 1030 1 80 ALA H 1 80 ALA MB . . 2.770 2.242 2.228 2.255 . 0 0 "[ . 1 . 2]" 1 1031 1 80 ALA H 1 86 THR MG . . 4.400 4.239 4.190 4.322 . 0 0 "[ . 1 . 2]" 1 1032 1 87 ILE MG 1 102 ALA H . . 3.590 2.970 2.822 3.142 . 0 0 "[ . 1 . 2]" 1 1033 1 99 VAL MG1 1 100 ALA H . . 4.060 3.271 3.019 4.102 0.042 14 0 "[ . 1 . 2]" 1 1034 1 99 VAL HB 1 100 ALA H . . 3.450 2.549 2.403 3.505 0.055 2 0 "[ . 1 . 2]" 1 1035 1 87 ILE HB 1 102 ALA H . . 4.880 4.941 4.919 4.960 0.080 10 0 "[ . 1 . 2]" 1 1036 1 108 LEU H 1 109 GLU HG3 . . 4.540 4.109 3.947 4.460 . 0 0 "[ . 1 . 2]" 1 1037 1 82 ALA MB 1 84 ALA H . . 3.810 3.383 3.104 3.425 . 0 0 "[ . 1 . 2]" 1 1038 1 108 LEU H 1 108 LEU HB3 . . 3.440 3.234 3.059 3.373 . 0 0 "[ . 1 . 2]" 1 1039 1 108 LEU H 1 108 LEU MD1 . . 3.980 3.494 3.025 4.161 0.181 5 0 "[ . 1 . 2]" 1 1040 1 108 LEU H 1 109 GLU HG2 . . 4.480 4.537 4.512 4.577 0.097 15 0 "[ . 1 . 2]" 1 1041 1 49 GLU H 1 49 GLU HB2 . . 2.980 2.442 2.377 2.524 . 0 0 "[ . 1 . 2]" 1 1042 1 49 GLU H 1 49 GLU HB3 . . 3.080 2.873 2.628 3.064 . 0 0 "[ . 1 . 2]" 1 1043 1 47 ALA MB 1 49 GLU H . . 4.190 4.205 4.179 4.227 0.037 16 0 "[ . 1 . 2]" 1 1044 1 49 GLU H 1 50 ALA MB . . 4.180 4.124 4.075 4.192 0.012 17 0 "[ . 1 . 2]" 1 1045 1 46 VAL MG2 1 49 GLU H . . 5.500 5.041 4.947 5.331 . 0 0 "[ . 1 . 2]" 1 1046 1 46 VAL MG1 1 49 GLU H . . 5.500 5.308 4.744 5.472 . 0 0 "[ . 1 . 2]" 1 1047 1 49 GLU H 1 79 ILE MD . . 4.590 4.689 4.672 4.716 0.126 6 0 "[ . 1 . 2]" 1 1048 1 49 GLU HB2 1 50 ALA H . . 3.410 3.470 3.414 3.572 0.162 7 0 "[ . 1 . 2]" 1 1049 1 49 GLU HB3 1 50 ALA H . . 3.380 2.397 2.267 2.480 . 0 0 "[ . 1 . 2]" 1 1050 1 40 LYS H 1 40 LYS HB2 . . 3.660 3.557 3.523 3.587 . 0 0 "[ . 1 . 2]" 1 1051 1 50 ALA H 1 53 ARG HG2 . . 5.230 4.929 4.738 5.152 . 0 0 "[ . 1 . 2]" 1 1052 1 47 ALA MB 1 50 ALA H . . 4.480 4.414 4.366 4.466 . 0 0 "[ . 1 . 2]" 1 1053 1 40 LYS H 1 40 LYS HG3 . . 4.530 3.207 2.054 3.973 . 0 0 "[ . 1 . 2]" 1 1054 1 22 ALA H 1 22 ALA MB . . 3.500 2.208 2.191 2.220 . 0 0 "[ . 1 . 2]" 1 1055 1 39 THR MG 1 40 LYS H . . 3.630 3.236 2.847 3.513 . 0 0 "[ . 1 . 2]" 1 1056 1 50 ALA H 1 50 ALA MB . . 2.980 2.212 2.182 2.261 . 0 0 "[ . 1 . 2]" 1 1057 1 50 ALA H 1 55 ALA MB . . 5.050 5.053 4.966 5.084 0.034 12 0 "[ . 1 . 2]" 1 1058 1 40 LYS H 1 74 ILE MD . . 4.380 3.858 3.808 3.901 . 0 0 "[ . 1 . 2]" 1 1059 1 37 VAL MG1 1 43 ALA H . . 3.810 3.735 3.664 3.830 0.020 16 0 "[ . 1 . 2]" 1 1060 1 40 LYS H 1 71 LEU MD1 . . 5.170 2.617 2.516 2.757 . 0 0 "[ . 1 . 2]" 1 1061 1 50 ALA H 1 79 ILE MD . . 3.730 3.642 3.581 3.706 . 0 0 "[ . 1 . 2]" 1 1062 1 20 GLU H 1 20 GLU HB3 . . 3.800 2.434 2.408 2.466 . 0 0 "[ . 1 . 2]" 1 1063 1 71 LEU H 1 74 ILE HB . . 5.010 4.942 4.884 4.986 . 0 0 "[ . 1 . 2]" 1 1064 1 37 VAL HB 1 43 ALA H . . 3.490 2.912 2.878 2.962 . 0 0 "[ . 1 . 2]" 1 1065 1 71 LEU H 1 71 LEU HB2 . . 3.440 2.819 2.640 3.005 . 0 0 "[ . 1 . 2]" 1 1066 1 71 LEU H 1 71 LEU HB3 . . 3.660 3.531 3.501 3.568 . 0 0 "[ . 1 . 2]" 1 1067 1 71 LEU H 1 74 ILE MD . . 3.860 3.699 3.540 3.785 . 0 0 "[ . 1 . 2]" 1 1068 1 71 LEU H 1 71 LEU MD1 . . 3.840 2.101 1.890 2.295 . 0 0 "[ . 1 . 2]" 1 1069 1 74 ILE H 1 74 ILE HB . . 3.050 2.426 2.391 2.466 . 0 0 "[ . 1 . 2]" 1 1070 1 74 ILE H 1 74 ILE HG13 . . 3.790 2.395 2.261 2.470 . 0 0 "[ . 1 . 2]" 1 1071 1 74 ILE H 1 74 ILE HG12 . . 3.790 3.739 3.597 3.802 0.012 3 0 "[ . 1 . 2]" 1 1072 1 74 ILE H 1 74 ILE MD . . 3.550 3.516 3.396 3.569 0.019 16 0 "[ . 1 . 2]" 1 1073 1 82 ALA H 1 82 ALA MB . . 2.730 2.227 2.209 2.249 . 0 0 "[ . 1 . 2]" 1 1074 1 82 ALA H 1 84 ALA MB . . 5.320 5.016 4.903 5.082 . 0 0 "[ . 1 . 2]" 1 1075 1 52 ARG H 1 53 ARG HG2 . . 4.010 3.856 3.548 4.023 0.013 7 0 "[ . 1 . 2]" 1 1076 1 79 ILE MD 1 82 ALA H . . 4.730 4.312 4.245 4.360 . 0 0 "[ . 1 . 2]" 1 1077 1 20 GLU HB3 1 21 LEU H . . 4.000 4.036 4.015 4.062 0.062 18 0 "[ . 1 . 2]" 1 1078 1 20 GLU HB2 1 21 LEU H . . 4.310 4.103 4.065 4.139 . 0 0 "[ . 1 . 2]" 1 1079 1 21 LEU H 1 21 LEU HG . . 3.770 3.792 3.732 3.823 0.053 10 0 "[ . 1 . 2]" 1 1080 1 21 LEU H 1 21 LEU HB2 . . 3.560 2.178 2.145 2.208 . 0 0 "[ . 1 . 2]" 1 1081 1 21 LEU H 1 21 LEU MD1 . . 4.260 4.275 4.193 4.302 0.042 4 0 "[ . 1 . 2]" 1 1082 1 41 GLU H 1 41 GLU HG3 . . 3.760 3.047 2.912 3.170 . 0 0 "[ . 1 . 2]" 1 1083 1 41 GLU H 1 41 GLU HG2 . . 3.620 1.919 1.812 2.061 . 0 0 "[ . 1 . 2]" 1 1084 1 41 GLU H 1 41 GLU HB3 . . 3.240 2.690 2.609 2.767 . 0 0 "[ . 1 . 2]" 1 1085 1 41 GLU H 1 41 GLU HB2 . . 3.650 3.620 3.566 3.657 0.007 12 0 "[ . 1 . 2]" 1 1086 1 40 LYS HB3 1 41 GLU H . . 4.100 4.023 3.912 4.151 0.051 15 0 "[ . 1 . 2]" 1 1087 1 41 GLU H 1 74 ILE MD . . 5.500 4.961 4.865 5.037 . 0 0 "[ . 1 . 2]" 1 1088 1 56 ASP H 1 56 ASP HB2 . . 4.080 2.080 1.998 2.186 . 0 0 "[ . 1 . 2]" 1 1089 1 52 ARG H 1 52 ARG HB2 . . 2.960 2.815 2.769 2.893 . 0 0 "[ . 1 . 2]" 1 1090 1 2 ARG HB3 1 56 ASP H . . 3.760 1.943 1.909 1.997 . 0 0 "[ . 1 . 2]" 1 1091 1 41 GLU HG3 1 42 ASP H . . 4.020 2.177 2.037 2.335 . 0 0 "[ . 1 . 2]" 1 1092 1 41 GLU HG2 1 42 ASP H . . 3.780 2.683 2.482 2.894 . 0 0 "[ . 1 . 2]" 1 1093 1 41 GLU HB3 1 42 ASP H . . 3.900 3.983 3.959 4.007 0.107 19 0 "[ . 1 . 2]" 1 1094 1 46 VAL H 1 47 ALA MB . . 4.530 4.448 4.399 4.531 0.001 16 0 "[ . 1 . 2]" 1 1095 1 71 LEU HB2 1 72 ALA H . . 3.550 2.840 2.775 2.924 . 0 0 "[ . 1 . 2]" 1 1096 1 70 THR MG 1 72 ALA H . . 5.110 5.120 5.019 5.139 0.029 14 0 "[ . 1 . 2]" 1 1097 1 72 ALA H 1 72 ALA MB . . 2.760 2.243 2.208 2.284 . 0 0 "[ . 1 . 2]" 1 1098 1 22 ALA MB 1 23 ARG H . . 4.110 2.587 2.530 2.656 . 0 0 "[ . 1 . 2]" 1 1099 1 85 LYS HB3 1 86 THR H . . 4.440 4.096 4.019 4.149 . 0 0 "[ . 1 . 2]" 1 1100 1 85 LYS HG3 1 86 THR H . . 4.530 4.316 4.118 4.417 . 0 0 "[ . 1 . 2]" 1 1101 1 32 ALA MB 1 33 GLU H . . 3.340 2.456 2.301 2.600 . 0 0 "[ . 1 . 2]" 1 1102 1 4 ILE MG 1 33 GLU H . . 3.880 3.925 3.903 3.938 0.058 6 0 "[ . 1 . 2]" 1 1103 1 4 ILE MD 1 33 GLU H . . 4.180 3.820 3.714 3.901 . 0 0 "[ . 1 . 2]" 1 1104 1 70 THR H 1 72 ALA MB . . 5.500 5.172 5.096 5.265 . 0 0 "[ . 1 . 2]" 1 1105 1 4 ILE HG12 1 33 GLU H . . 3.880 2.204 2.083 2.315 . 0 0 "[ . 1 . 2]" 1 1106 1 109 GLU H 1 109 GLU HG3 . . 3.540 2.660 2.369 3.173 . 0 0 "[ . 1 . 2]" 1 1107 1 109 GLU H 1 109 GLU HG2 . . 3.530 2.890 2.656 3.127 . 0 0 "[ . 1 . 2]" 1 1108 1 78 ILE H 1 78 ILE HB . . 3.020 2.510 2.485 2.545 . 0 0 "[ . 1 . 2]" 1 1109 1 78 ILE H 1 78 ILE HG12 . . 3.350 2.809 2.776 2.850 . 0 0 "[ . 1 . 2]" 1 1110 1 47 ALA MB 1 78 ILE H . . 3.890 3.855 3.818 3.890 . 0 0 "[ . 1 . 2]" 1 1111 1 78 ILE H 1 78 ILE MG . . 3.830 3.830 3.819 3.844 0.014 7 0 "[ . 1 . 2]" 1 1112 1 109 GLU H 1 109 GLU HB2 . . 2.840 2.598 2.439 2.751 . 0 0 "[ . 1 . 2]" 1 1113 1 47 ALA MB 1 79 ILE H . . 3.440 3.472 3.450 3.488 0.048 20 0 "[ . 1 . 2]" 1 1114 1 55 ALA H 1 55 ALA MB . . 2.950 2.162 2.134 2.190 . 0 0 "[ . 1 . 2]" 1 1115 1 79 ILE H 1 86 THR MG . . 4.790 4.016 3.930 4.083 . 0 0 "[ . 1 . 2]" 1 1116 1 78 ILE MG 1 79 ILE H . . 3.490 3.514 3.498 3.530 0.040 12 0 "[ . 1 . 2]" 1 1117 1 79 ILE H 1 79 ILE HB . . 3.080 2.632 2.583 2.664 . 0 0 "[ . 1 . 2]" 1 1118 1 79 ILE H 1 79 ILE HG12 . . 3.660 2.336 2.319 2.357 . 0 0 "[ . 1 . 2]" 1 1119 1 78 ILE HG13 1 79 ILE H . . 4.590 4.594 4.545 4.620 0.030 8 0 "[ . 1 . 2]" 1 1120 1 79 ILE H 1 79 ILE MD . . 3.490 3.302 3.268 3.342 . 0 0 "[ . 1 . 2]" 1 1121 1 74 ILE HB 1 75 VAL H . . 3.580 2.617 2.583 2.671 . 0 0 "[ . 1 . 2]" 1 1122 1 43 ALA MB 1 75 VAL H . . 3.920 2.574 2.506 2.641 . 0 0 "[ . 1 . 2]" 1 1123 1 29 VAL H 1 32 ALA MB . . 5.480 4.560 4.463 4.618 . 0 0 "[ . 1 . 2]" 1 1124 1 75 VAL HB 1 76 LYS H . . 3.420 2.455 2.413 2.502 . 0 0 "[ . 1 . 2]" 1 1125 1 102 ALA MB 1 103 ARG H . . 3.400 2.334 2.259 2.401 . 0 0 "[ . 1 . 2]" 1 1126 1 57 ILE MG 1 103 ARG H . . 4.260 3.581 3.428 3.710 . 0 0 "[ . 1 . 2]" 1 1127 1 60 ILE HB 1 89 VAL H . . 4.260 3.930 3.708 4.020 . 0 0 "[ . 1 . 2]" 1 1128 1 109 GLU HB2 1 110 HIS H . . 4.080 2.388 2.261 2.475 . 0 0 "[ . 1 . 2]" 1 1129 1 87 ILE MG 1 103 ARG H . . 4.560 3.986 3.749 4.168 . 0 0 "[ . 1 . 2]" 1 1130 1 89 VAL H 1 89 VAL MG2 . . 3.610 2.322 2.127 2.663 . 0 0 "[ . 1 . 2]" 1 1131 1 43 ALA MB 1 44 LYS H . . 3.050 2.552 2.511 2.626 . 0 0 "[ . 1 . 2]" 1 1132 1 80 ALA MB 1 81 ARG H . . 3.120 2.673 2.618 2.714 . 0 0 "[ . 1 . 2]" 1 1133 1 44 LYS H 1 44 LYS HG3 . . 4.530 4.431 4.399 4.455 . 0 0 "[ . 1 . 2]" 1 1134 1 44 LYS H 1 78 ILE MD . . 5.000 4.359 4.278 4.427 . 0 0 "[ . 1 . 2]" 1 1135 1 51 GLU H 1 79 ILE MD . . 3.960 2.970 2.831 3.191 . 0 0 "[ . 1 . 2]" 1 1136 1 48 GLU H 1 48 GLU HG2 . . 3.630 2.580 2.426 3.452 . 0 0 "[ . 1 . 2]" 1 1137 1 48 GLU H 1 48 GLU HB3 . . 3.060 2.391 2.346 2.424 . 0 0 "[ . 1 . 2]" 1 1138 1 51 GLU H 1 51 GLU HB3 . . 2.990 2.563 2.469 2.654 . 0 0 "[ . 1 . 2]" 1 1139 1 99 VAL H 1 99 VAL HB . . 3.420 2.563 2.407 3.639 0.219 2 0 "[ . 1 . 2]" 1 1140 1 51 GLU H 1 51 GLU HB2 . . 3.710 3.683 3.652 3.728 0.018 16 0 "[ . 1 . 2]" 1 1141 1 48 GLU H 1 78 ILE HB . . 4.580 4.632 4.610 4.653 0.073 7 0 "[ . 1 . 2]" 1 1142 1 47 ALA MB 1 48 GLU H . . 3.290 2.408 2.375 2.451 . 0 0 "[ . 1 . 2]" 1 1143 1 98 ALA MB 1 99 VAL H . . 3.460 2.413 2.284 2.529 . 0 0 "[ . 1 . 2]" 1 1144 1 50 ALA MB 1 51 GLU H . . 3.300 2.775 2.736 2.823 . 0 0 "[ . 1 . 2]" 1 1145 1 99 VAL H 1 99 VAL MG2 . . 3.780 2.309 2.046 2.384 . 0 0 "[ . 1 . 2]" 1 1146 1 48 GLU H 1 79 ILE MD . . 4.550 4.314 4.234 4.359 . 0 0 "[ . 1 . 2]" 1 1147 1 51 GLU H 1 55 ALA MB . . 4.970 4.969 4.932 5.022 0.052 6 0 "[ . 1 . 2]" 1 1148 1 17 THR H 1 17 THR MG . . 3.870 2.435 2.182 3.741 . 0 0 "[ . 1 . 2]" 1 1149 1 60 ILE MG 1 73 LYS H . . 4.920 4.730 4.638 4.868 . 0 0 "[ . 1 . 2]" 1 1150 1 72 ALA MB 1 73 LYS H . . 3.210 2.497 2.409 2.563 . 0 0 "[ . 1 . 2]" 1 1151 1 27 GLU H 1 27 GLU HG2 . . 4.480 3.793 2.780 4.510 0.030 9 0 "[ . 1 . 2]" 1 1152 1 27 GLU H 1 27 GLU HG3 . . 4.480 3.053 2.666 3.939 . 0 0 "[ . 1 . 2]" 1 1153 1 26 LYS H 1 26 LYS HB3 . . 3.760 2.784 2.750 2.853 . 0 0 "[ . 1 . 2]" 1 1154 1 26 LYS HB3 1 27 GLU H . . 4.100 3.013 2.964 3.083 . 0 0 "[ . 1 . 2]" 1 1155 1 53 ARG HB2 1 54 ASN H . . 4.140 4.200 4.170 4.217 0.077 3 0 "[ . 1 . 2]" 1 1156 1 53 ARG HG2 1 54 ASN H . . 3.840 2.749 2.652 2.852 . 0 0 "[ . 1 . 2]" 1 1157 1 26 LYS H 1 26 LYS HB2 . . 3.710 2.320 2.273 2.349 . 0 0 "[ . 1 . 2]" 1 1158 1 18 LEU HG 1 19 ASP H . . 4.080 2.607 2.451 2.818 . 0 0 "[ . 1 . 2]" 1 1159 1 53 ARG HB3 1 54 ASN H . . 4.890 4.306 4.241 4.409 . 0 0 "[ . 1 . 2]" 1 1160 1 26 LYS H 1 34 ILE HG12 . . 3.810 3.840 3.814 3.860 0.050 6 0 "[ . 1 . 2]" 1 1161 1 26 LYS H 1 34 ILE HG13 . . 4.550 2.495 2.464 2.526 . 0 0 "[ . 1 . 2]" 1 1162 1 35 ARG HB3 1 35 ARG HE . . 4.440 4.219 3.453 4.476 0.036 6 0 "[ . 1 . 2]" 1 1163 1 35 ARG HE 1 35 ARG HG2 . . 3.890 3.275 3.027 3.900 0.010 12 0 "[ . 1 . 2]" 1 1164 1 68 LYS HB3 1 69 SER H . . 4.800 4.150 2.254 4.516 . 0 0 "[ . 1 . 2]" 1 1165 1 35 ARG HE 1 46 VAL MG1 . . 5.120 3.725 1.978 4.255 . 0 0 "[ . 1 . 2]" 1 1166 1 56 ASP HB2 1 57 ILE H . . 3.500 3.462 2.929 3.522 0.022 16 0 "[ . 1 . 2]" 1 1167 1 57 ILE H 1 57 ILE HG12 . . 3.870 3.419 3.352 3.525 . 0 0 "[ . 1 . 2]" 1 1168 1 2 ARG HB3 1 57 ILE H . . 4.150 4.110 4.061 4.154 0.004 16 0 "[ . 1 . 2]" 1 1169 1 57 ILE H 1 57 ILE HB . . 3.430 3.063 3.017 3.120 . 0 0 "[ . 1 . 2]" 1 1170 1 57 ILE H 1 57 ILE HG13 . . 3.930 2.580 2.503 2.747 . 0 0 "[ . 1 . 2]" 1 1171 1 55 ALA MB 1 57 ILE H . . 3.490 3.501 3.339 3.536 0.046 7 0 "[ . 1 . 2]" 1 1172 1 15 LYS HB3 1 16 THR H . . 4.620 3.881 2.774 4.366 . 0 0 "[ . 1 . 2]" 1 1173 1 4 ILE MD 1 53 ARG H . . 5.050 4.966 4.810 5.065 0.015 17 0 "[ . 1 . 2]" 1 1174 1 52 ARG HB2 1 53 ARG H . . 3.150 2.612 2.475 2.851 . 0 0 "[ . 1 . 2]" 1 1175 1 53 ARG H 1 53 ARG HG2 . . 3.270 2.080 1.862 2.169 . 0 0 "[ . 1 . 2]" 1 1176 1 53 ARG H 1 53 ARG HB3 . . 3.260 2.892 2.783 3.059 . 0 0 "[ . 1 . 2]" 1 1177 1 16 THR H 1 16 THR MG . . 4.580 3.900 3.718 4.031 . 0 0 "[ . 1 . 2]" 1 1178 1 50 ALA MB 1 53 ARG H . . 4.760 4.733 4.682 4.776 0.016 12 0 "[ . 1 . 2]" 1 1179 1 30 PRO HB2 1 31 ASP H . . 3.920 3.885 3.831 3.936 0.016 9 0 "[ . 1 . 2]" 1 1180 1 29 VAL HB 1 31 ASP H . . 4.440 3.558 3.450 3.674 . 0 0 "[ . 1 . 2]" 1 1181 1 30 PRO HG2 1 31 ASP H . . 3.280 3.100 3.051 3.137 . 0 0 "[ . 1 . 2]" 1 1182 1 29 VAL MG2 1 31 ASP H . . 4.930 4.375 4.323 4.441 . 0 0 "[ . 1 . 2]" 1 1183 1 35 ARG HB3 1 36 THR H . . 4.550 3.541 3.437 3.599 . 0 0 "[ . 1 . 2]" 1 1184 1 36 THR H 1 36 THR MG . . 4.400 2.817 2.712 2.906 . 0 0 "[ . 1 . 2]" 1 1185 1 61 VAL HB 1 62 GLY H . . 4.430 4.184 4.058 4.420 . 0 0 "[ . 1 . 2]" 1 1186 1 62 GLY H 1 90 THR MG . . 4.400 3.906 3.386 4.344 . 0 0 "[ . 1 . 2]" 1 1187 1 60 ILE MG 1 62 GLY H . . 4.440 4.358 3.963 4.455 0.015 7 0 "[ . 1 . 2]" 1 1188 1 89 VAL HB 1 90 THR H . . 3.980 3.569 2.624 4.185 0.205 8 0 "[ . 1 . 2]" 1 1189 1 89 VAL MG1 1 90 THR H . . 4.310 4.214 4.013 4.338 0.028 20 0 "[ . 1 . 2]" 1 1190 1 89 VAL MG2 1 90 THR H . . 4.310 3.920 3.063 4.340 0.030 1 0 "[ . 1 . 2]" 1 1191 1 7 ILE MG 1 9 GLY H . . 4.900 4.085 3.941 4.194 . 0 0 "[ . 1 . 2]" 1 1192 1 37 VAL HB 1 39 THR H . . 4.050 3.673 3.435 4.045 . 0 0 "[ . 1 . 2]" 1 1193 1 39 THR H 1 71 LEU HG . . 4.280 3.306 3.058 3.632 . 0 0 "[ . 1 . 2]" 1 1194 1 38 THR MG 1 39 THR H . . 3.890 2.703 2.485 2.858 . 0 0 "[ . 1 . 2]" 1 1195 1 39 THR H 1 71 LEU MD1 . . 4.760 4.042 3.785 4.249 . 0 0 "[ . 1 . 2]" 1 1196 1 91 THR H 1 91 THR MG . . 4.080 2.336 2.041 2.544 . 0 0 "[ . 1 . 2]" 1 1197 1 100 ALA MB 1 104 GLY H . . 4.320 4.300 4.151 4.346 0.026 7 0 "[ . 1 . 2]" 1 1198 1 102 ALA MB 1 104 GLY H . . 4.110 4.166 4.136 4.184 0.074 4 0 "[ . 1 . 2]" 1 1199 1 82 ALA MB 1 83 GLY H . . 3.470 2.828 2.785 2.873 . 0 0 "[ . 1 . 2]" 1 1200 1 60 ILE HA 1 61 VAL H . . 3.340 2.245 2.148 2.273 . 0 0 "[ . 1 . 2]" 1 1201 1 7 ILE HA 1 61 VAL H . . 4.040 2.605 2.481 2.888 . 0 0 "[ . 1 . 2]" 1 1202 1 34 ILE HA 1 35 ARG H . . 3.070 2.126 2.104 2.148 . 0 0 "[ . 1 . 2]" 1 1203 1 4 ILE HA 1 5 VAL H . . 3.160 2.135 2.102 2.164 . 0 0 "[ . 1 . 2]" 1 1204 1 60 ILE H 1 88 GLU HA . . 3.850 3.403 3.219 3.506 . 0 0 "[ . 1 . 2]" 1 1205 1 6 VAL H 1 58 VAL HA . . 5.070 4.869 4.781 4.930 . 0 0 "[ . 1 . 2]" 1 1206 1 59 VAL HA 1 60 ILE H . . 3.170 2.215 2.150 2.249 . 0 0 "[ . 1 . 2]" 1 1207 1 5 VAL HA 1 6 VAL H . . 3.380 2.131 2.114 2.203 . 0 0 "[ . 1 . 2]" 1 1208 1 7 ILE H 1 36 THR HA . . 3.830 2.241 2.164 2.308 . 0 0 "[ . 1 . 2]" 1 1209 1 2 ARG H 1 56 ASP HA . . 4.750 4.621 4.347 4.799 0.049 4 0 "[ . 1 . 2]" 1 1210 1 58 VAL HA 1 59 VAL H . . 3.200 2.115 2.096 2.139 . 0 0 "[ . 1 . 2]" 1 1211 1 5 VAL HA 1 59 VAL H . . 3.860 3.157 3.047 3.214 . 0 0 "[ . 1 . 2]" 1 1212 1 3 VAL HA 1 4 ILE H . . 3.400 2.184 2.140 2.214 . 0 0 "[ . 1 . 2]" 1 1213 1 2 ARG HA 1 3 VAL H . . 2.880 2.148 2.078 2.246 . 0 0 "[ . 1 . 2]" 1 1214 1 58 VAL H 1 86 THR HA . . 4.120 2.949 2.886 3.008 . 0 0 "[ . 1 . 2]" 1 1215 1 57 ILE HA 1 58 VAL H . . 3.370 2.132 2.101 2.192 . 0 0 "[ . 1 . 2]" 1 1216 1 59 VAL HA 1 88 GLU H . . 5.500 5.499 5.454 5.550 0.050 7 0 "[ . 1 . 2]" 1 1217 1 87 ILE HA 1 88 GLU H . . 3.070 2.354 2.290 2.404 . 0 0 "[ . 1 . 2]" 1 1218 1 114 HIS HA 1 115 HIS H . . 3.540 2.813 2.115 3.557 0.017 5 0 "[ . 1 . 2]" 1 1219 1 33 GLU HA 1 34 ILE H . . 2.860 2.143 2.093 2.182 . 0 0 "[ . 1 . 2]" 1 1220 1 86 THR HA 1 87 ILE H . . 3.320 2.133 2.098 2.174 . 0 0 "[ . 1 . 2]" 1 1221 1 59 VAL HA 1 87 ILE H . . 4.070 3.049 2.866 3.111 . 0 0 "[ . 1 . 2]" 1 1222 1 45 ARG HA 1 47 ALA H . . 4.740 4.589 4.517 4.675 . 0 0 "[ . 1 . 2]" 1 1223 1 57 ILE HA 1 85 LYS H . . 4.250 3.270 3.153 3.380 . 0 0 "[ . 1 . 2]" 1 1224 1 84 ALA HA 1 85 LYS H . . 3.190 2.501 2.426 2.652 . 0 0 "[ . 1 . 2]" 1 1225 1 29 VAL HA 1 32 ALA H . . 4.400 4.026 3.953 4.152 . 0 0 "[ . 1 . 2]" 1 1226 1 76 LYS HA 1 80 ALA H . . 4.160 3.694 3.594 3.819 . 0 0 "[ . 1 . 2]" 1 1227 1 96 ARG HA 1 100 ALA H . . 4.430 3.903 3.772 4.085 . 0 0 "[ . 1 . 2]" 1 1228 1 99 VAL HA 1 102 ALA H . . 4.200 3.961 3.690 4.101 . 0 0 "[ . 1 . 2]" 1 1229 1 84 ALA H 1 85 LYS HA . . 5.040 5.041 4.960 5.084 0.044 4 0 "[ . 1 . 2]" 1 1230 1 105 SER HA 1 108 LEU H . . 3.730 3.468 3.342 3.676 . 0 0 "[ . 1 . 2]" 1 1231 1 107 SER HB2 1 108 LEU H . . 4.280 3.689 3.036 4.235 . 0 0 "[ . 1 . 2]" 1 1232 1 19 ASP HA 1 22 ALA H . . 4.410 3.580 3.443 3.662 . 0 0 "[ . 1 . 2]" 1 1233 1 39 THR HA 1 40 LYS H . . 3.450 2.395 2.350 2.437 . 0 0 "[ . 1 . 2]" 1 1234 1 39 THR HB 1 40 LYS H . . 3.560 2.284 2.176 2.399 . 0 0 "[ . 1 . 2]" 1 1235 1 18 LEU HA 1 22 ALA H . . 4.560 3.811 3.737 3.920 . 0 0 "[ . 1 . 2]" 1 1236 1 47 ALA HA 1 50 ALA H . . 3.790 3.062 2.989 3.169 . 0 0 "[ . 1 . 2]" 1 1237 1 42 ASP HB2 1 43 ALA H . . 3.720 2.671 2.436 2.820 . 0 0 "[ . 1 . 2]" 1 1238 1 42 ASP HB3 1 43 ALA H . . 3.740 3.542 3.518 3.596 . 0 0 "[ . 1 . 2]" 1 1239 1 70 THR HB 1 71 LEU H . . 3.650 2.702 2.564 2.785 . 0 0 "[ . 1 . 2]" 1 1240 1 41 GLU HA 1 43 ALA H . . 4.450 4.467 4.428 4.499 0.049 16 0 "[ . 1 . 2]" 1 1241 1 71 LEU HA 1 74 ILE H . . 3.700 3.335 3.081 3.456 . 0 0 "[ . 1 . 2]" 1 1242 1 79 ILE HA 1 82 ALA H . . 3.630 2.761 2.725 2.806 . 0 0 "[ . 1 . 2]" 1 1243 1 39 THR HA 1 41 GLU H . . 4.480 4.257 4.220 4.299 . 0 0 "[ . 1 . 2]" 1 1244 1 39 THR HB 1 41 GLU H . . 3.420 2.611 2.557 2.721 . 0 0 "[ . 1 . 2]" 1 1245 1 41 GLU H 1 42 ASP HA . . 5.340 5.228 5.131 5.280 . 0 0 "[ . 1 . 2]" 1 1246 1 19 ASP HA 1 21 LEU H . . 4.400 4.198 4.155 4.262 . 0 0 "[ . 1 . 2]" 1 1247 1 39 THR HB 1 42 ASP H . . 3.810 3.814 3.703 3.900 0.090 6 0 "[ . 1 . 2]" 1 1248 1 42 ASP HA 1 46 VAL H . . 4.550 3.667 3.570 3.751 . 0 0 "[ . 1 . 2]" 1 1249 1 42 ASP H 1 42 ASP HB2 . . 3.310 2.402 2.308 2.521 . 0 0 "[ . 1 . 2]" 1 1250 1 42 ASP H 1 42 ASP HB3 . . 3.600 3.557 3.524 3.585 . 0 0 "[ . 1 . 2]" 1 1251 1 69 SER HA 1 72 ALA H . . 4.440 3.805 3.562 3.966 . 0 0 "[ . 1 . 2]" 1 1252 1 70 THR HB 1 72 ALA H . . 4.990 5.032 5.005 5.050 0.060 4 0 "[ . 1 . 2]" 1 1253 1 4 ILE HA 1 33 GLU H . . 3.880 2.189 2.157 2.216 . 0 0 "[ . 1 . 2]" 1 1254 1 32 ALA HA 1 33 GLU H . . 3.110 2.454 2.366 2.554 . 0 0 "[ . 1 . 2]" 1 1255 1 85 LYS HA 1 86 THR H . . 3.250 1.993 1.945 2.023 . 0 0 "[ . 1 . 2]" 1 1256 1 86 THR H 1 86 THR HB . . 4.030 2.898 2.864 2.951 . 0 0 "[ . 1 . 2]" 1 1257 1 42 ASP HA 1 45 ARG H . . 3.750 3.309 3.187 3.501 . 0 0 "[ . 1 . 2]" 1 1258 1 105 SER HA 1 109 GLU H . . 4.300 4.301 4.190 4.339 0.039 13 0 "[ . 1 . 2]" 1 1259 1 106 TRP HA 1 109 GLU H . . 4.610 3.415 3.302 3.616 . 0 0 "[ . 1 . 2]" 1 1260 1 54 ASN HA 1 55 ALA H . . 3.140 2.384 2.339 2.406 . 0 0 "[ . 1 . 2]" 1 1261 1 108 LEU HA 1 109 GLU H . . 3.480 3.484 3.423 3.523 0.043 6 0 "[ . 1 . 2]" 1 1262 1 77 LYS HA 1 79 ILE H . . 4.500 4.410 4.370 4.472 . 0 0 "[ . 1 . 2]" 1 1263 1 2 ARG HD2 1 55 ALA H . . 5.170 3.588 3.448 3.750 . 0 0 "[ . 1 . 2]" 1 1264 1 54 ASN HB3 1 55 ALA H . . 4.270 4.315 4.298 4.329 0.059 8 0 "[ . 1 . 2]" 1 1265 1 75 VAL HA 1 79 ILE H . . 4.350 4.196 4.159 4.226 . 0 0 "[ . 1 . 2]" 1 1266 1 42 ASP HA 1 44 LYS H . . 4.360 4.387 4.359 4.408 0.048 15 0 "[ . 1 . 2]" 1 1267 1 99 VAL HA 1 103 ARG H . . 4.450 3.545 3.393 3.642 . 0 0 "[ . 1 . 2]" 1 1268 1 78 ILE HA 1 81 ARG H . . 4.430 4.305 4.142 4.462 0.032 2 0 "[ . 1 . 2]" 1 1269 1 77 LYS HA 1 81 ARG H . . 4.490 4.420 4.286 4.516 0.026 2 0 "[ . 1 . 2]" 1 1270 1 41 GLU HA 1 44 LYS H . . 3.640 3.287 3.152 3.384 . 0 0 "[ . 1 . 2]" 1 1271 1 42 ASP HB3 1 44 LYS H . . 5.500 5.564 5.537 5.583 0.083 3 0 "[ . 1 . 2]" 1 1272 1 74 ILE HA 1 77 LYS H . . 3.970 3.426 3.375 3.495 . 0 0 "[ . 1 . 2]" 1 1273 1 16 THR HB 1 17 THR H . . 3.970 3.056 2.728 3.522 . 0 0 "[ . 1 . 2]" 1 1274 1 73 LYS H 1 73 LYS HA . . 2.880 2.889 2.742 2.906 0.026 13 0 "[ . 1 . 2]" 1 1275 1 70 THR HB 1 73 LYS H . . 5.500 5.483 5.304 5.524 0.024 1 0 "[ . 1 . 2]" 1 1276 1 50 ALA HA 1 54 ASN H . . 4.470 4.166 3.994 4.371 . 0 0 "[ . 1 . 2]" 1 1277 1 54 ASN H 1 54 ASN HA . . 2.670 2.268 2.250 2.302 . 0 0 "[ . 1 . 2]" 1 1278 1 53 ARG HA 1 54 ASN H . . 3.360 3.293 3.252 3.351 . 0 0 "[ . 1 . 2]" 1 1279 1 34 ILE HA 1 35 ARG HE . . 5.500 5.497 5.396 5.531 0.031 11 0 "[ . 1 . 2]" 1 1280 1 3 VAL HA 1 57 ILE H . . 3.640 2.934 2.864 3.059 . 0 0 "[ . 1 . 2]" 1 1281 1 55 ALA HA 1 57 ILE H . . 4.000 3.660 3.532 3.737 . 0 0 "[ . 1 . 2]" 1 1282 1 106 TRP HB3 1 107 SER H . . 3.680 2.501 2.413 2.581 . 0 0 "[ . 1 . 2]" 1 1283 1 106 TRP HB2 1 107 SER H . . 3.790 3.759 3.690 3.805 0.015 4 0 "[ . 1 . 2]" 1 1284 1 53 ARG H 1 54 ASN HA . . 4.520 4.481 4.353 4.556 0.036 14 0 "[ . 1 . 2]" 1 1285 1 52 ARG HA 1 53 ARG H . . 3.540 3.483 3.436 3.531 . 0 0 "[ . 1 . 2]" 1 1286 1 50 ALA HA 1 53 ARG H . . 4.080 3.564 3.514 3.606 . 0 0 "[ . 1 . 2]" 1 1287 1 30 PRO HD2 1 31 ASP H . . 3.820 2.947 2.900 2.978 . 0 0 "[ . 1 . 2]" 1 1288 1 30 PRO HD3 1 31 ASP H . . 4.000 4.009 3.983 4.019 0.019 18 0 "[ . 1 . 2]" 1 1289 1 29 VAL HA 1 31 ASP H . . 4.030 3.112 3.031 3.270 . 0 0 "[ . 1 . 2]" 1 1290 1 62 GLY H 1 90 THR HA . . 4.210 3.016 2.601 3.396 . 0 0 "[ . 1 . 2]" 1 1291 1 61 VAL HA 1 62 GLY H . . 3.240 2.179 2.114 2.232 . 0 0 "[ . 1 . 2]" 1 1292 1 7 ILE HA 1 62 GLY H . . 5.290 5.289 5.203 5.342 0.052 4 0 "[ . 1 . 2]" 1 1293 1 62 GLY H 1 63 PRO HD2 . . 4.900 4.790 4.708 4.940 0.040 4 0 "[ . 1 . 2]" 1 1294 1 54 ASN HA 1 54 ASN HD21 . . 3.790 3.601 2.614 3.838 0.048 16 0 "[ . 1 . 2]" 1 1295 1 54 ASN HA 1 54 ASN HD22 . . 4.000 3.569 3.440 3.910 . 0 0 "[ . 1 . 2]" 1 1296 1 53 ARG HA 1 54 ASN HD21 . . 4.640 4.496 3.602 4.739 0.099 12 0 "[ . 1 . 2]" 1 1297 1 51 GLU HA 1 54 ASN HD21 . . 4.580 4.497 3.631 4.616 0.036 14 0 "[ . 1 . 2]" 1 1298 1 51 GLU HA 1 54 ASN HD22 . . 4.870 4.817 4.518 4.896 0.026 19 0 "[ . 1 . 2]" 1 1299 1 67 GLY H 1 68 LYS HA . . 5.380 5.150 4.677 5.477 0.097 4 0 "[ . 1 . 2]" 1 1300 1 39 THR H 1 39 THR HB . . 4.180 3.766 3.656 3.875 . 0 0 "[ . 1 . 2]" 1 1301 1 37 VAL HA 1 39 THR H . . 3.990 3.847 3.761 3.992 0.002 12 0 "[ . 1 . 2]" 1 1302 1 38 THR HB 1 39 THR H . . 4.240 4.234 4.107 4.305 0.065 5 0 "[ . 1 . 2]" 1 1303 1 39 THR H 1 42 ASP HB2 . . 3.440 2.180 2.108 2.286 . 0 0 "[ . 1 . 2]" 1 1304 1 39 THR H 1 42 ASP HB3 . . 3.970 3.746 3.694 3.814 . 0 0 "[ . 1 . 2]" 1 1305 1 104 GLY H 1 105 SER HA . . 5.420 5.090 5.015 5.218 . 0 0 "[ . 1 . 2]" 1 1306 1 104 GLY H 1 104 GLY HA3 . . 2.690 2.443 2.410 2.481 . 0 0 "[ . 1 . 2]" 1 1307 1 82 ALA HA 1 83 GLY H . . 3.560 3.451 3.431 3.473 . 0 0 "[ . 1 . 2]" 1 1308 1 2 ARG H 1 2 ARG HG2 . . 4.750 4.590 4.558 4.638 . 0 0 "[ . 1 . 2]" 1 1309 1 2 ARG H 1 56 ASP HB2 . . 5.110 1.984 1.758 2.268 . 0 0 "[ . 1 . 2]" 1 1310 1 2 ARG H 1 56 ASP HB3 . . 5.070 3.048 2.149 3.577 . 0 0 "[ . 1 . 2]" 1 1311 1 2 ARG H 1 56 ASP H . . 5.180 2.926 2.716 3.110 . 0 0 "[ . 1 . 2]" 1 1312 1 3 VAL H 1 33 GLU H . . 4.580 4.471 4.344 4.591 0.011 16 0 "[ . 1 . 2]" 1 1313 1 3 VAL H 1 57 ILE H . . 5.120 4.867 4.800 4.959 . 0 0 "[ . 1 . 2]" 1 1314 1 3 VAL H 1 4 ILE H . . 4.630 4.450 4.404 4.540 . 0 0 "[ . 1 . 2]" 1 1315 1 2 ARG H 1 3 VAL H . . 4.960 4.485 4.243 4.611 . 0 0 "[ . 1 . 2]" 1 1316 1 5 VAL H 1 33 GLU H . . 4.240 3.733 3.678 3.786 . 0 0 "[ . 1 . 2]" 1 1317 1 4 ILE H 1 5 VAL H . . 4.700 4.328 4.304 4.367 . 0 0 "[ . 1 . 2]" 1 1318 1 5 VAL H 1 35 ARG H . . 4.070 4.004 3.974 4.036 . 0 0 "[ . 1 . 2]" 1 1319 1 6 VAL H 1 59 VAL H . . 4.190 4.185 4.115 4.215 0.025 14 0 "[ . 1 . 2]" 1 1320 1 5 VAL H 1 6 VAL H . . 4.580 4.112 4.081 4.139 . 0 0 "[ . 1 . 2]" 1 1321 1 6 VAL H 1 61 VAL H . . 4.290 3.939 3.644 4.076 . 0 0 "[ . 1 . 2]" 1 1322 1 7 ILE H 1 8 VAL H . . 4.490 4.457 4.341 4.504 0.014 1 0 "[ . 1 . 2]" 1 1323 1 6 VAL H 1 7 ILE H . . 4.580 4.534 4.516 4.561 . 0 0 "[ . 1 . 2]" 1 1324 1 7 ILE H 1 35 ARG H . . 4.370 4.119 4.079 4.154 . 0 0 "[ . 1 . 2]" 1 1325 1 12 GLY H 1 13 ALA MB . . 5.080 4.637 4.251 5.100 0.020 16 0 "[ . 1 . 2]" 1 1326 1 12 GLY H 1 14 GLY H . . 5.500 3.681 2.382 4.942 . 0 0 "[ . 1 . 2]" 1 1327 1 18 LEU H 1 19 ASP H . . 3.910 2.716 2.614 2.772 . 0 0 "[ . 1 . 2]" 1 1328 1 21 LEU H 1 21 LEU HB3 . . 3.560 3.482 3.458 3.500 . 0 0 "[ . 1 . 2]" 1 1329 1 19 ASP HB2 1 21 LEU H . . 4.840 4.986 4.791 5.056 0.216 17 0 "[ . 1 . 2]" 1 1330 1 19 ASP H 1 21 LEU H . . 3.800 3.337 3.214 3.419 . 0 0 "[ . 1 . 2]" 1 1331 1 31 ASP H 1 31 ASP HB2 . . 3.420 2.456 2.264 2.642 . 0 0 "[ . 1 . 2]" 1 1332 1 31 ASP H 1 32 ALA H . . 3.060 2.197 2.082 2.299 . 0 0 "[ . 1 . 2]" 1 1333 1 30 PRO HD2 1 32 ALA H . . 4.770 4.706 4.579 4.786 0.016 14 0 "[ . 1 . 2]" 1 1334 1 34 ILE H 1 35 ARG H . . 4.390 4.430 4.408 4.454 0.064 4 0 "[ . 1 . 2]" 1 1335 1 5 VAL H 1 34 ILE H . . 4.750 4.587 4.513 4.620 . 0 0 "[ . 1 . 2]" 1 1336 1 33 GLU H 1 34 ILE H . . 4.210 4.250 4.200 4.280 0.070 9 0 "[ . 1 . 2]" 1 1337 1 34 ILE H 1 35 ARG HD3 . . 4.750 4.601 4.509 4.692 . 0 0 "[ . 1 . 2]" 1 1338 1 33 GLU HB2 1 34 ILE H . . 4.290 4.166 4.125 4.218 . 0 0 "[ . 1 . 2]" 1 1339 1 35 ARG H 1 35 ARG HD3 . . 4.710 2.332 2.263 2.423 . 0 0 "[ . 1 . 2]" 1 1340 1 35 ARG H 1 35 ARG HD2 . . 4.800 3.097 3.015 3.164 . 0 0 "[ . 1 . 2]" 1 1341 1 60 ILE H 1 89 VAL H . . 3.990 3.838 3.388 4.010 0.020 11 0 "[ . 1 . 2]" 1 1342 1 60 ILE H 1 87 ILE H . . 3.990 2.974 2.870 3.207 . 0 0 "[ . 1 . 2]" 1 1343 1 39 THR H 1 40 LYS HA . . 5.260 5.224 5.122 5.289 0.029 14 0 "[ . 1 . 2]" 1 1344 1 38 THR H 1 39 THR H . . 3.050 1.957 1.893 2.052 . 0 0 "[ . 1 . 2]" 1 1345 1 39 THR H 1 40 LYS H . . 4.890 4.418 4.378 4.457 . 0 0 "[ . 1 . 2]" 1 1346 1 40 LYS H 1 43 ALA H . . 5.330 4.896 4.845 4.949 . 0 0 "[ . 1 . 2]" 1 1347 1 40 LYS H 1 41 GLU HG2 . . 5.440 4.021 3.852 4.169 . 0 0 "[ . 1 . 2]" 1 1348 1 40 LYS H 1 40 LYS HB3 . . 3.660 2.393 2.284 2.547 . 0 0 "[ . 1 . 2]" 1 1349 1 40 LYS H 1 41 GLU H . . 3.960 2.818 2.802 2.840 . 0 0 "[ . 1 . 2]" 1 1350 1 41 GLU H 1 43 ALA H . . 4.220 3.912 3.854 3.965 . 0 0 "[ . 1 . 2]" 1 1351 1 39 THR H 1 41 GLU H . . 4.550 4.480 4.376 4.555 0.005 5 0 "[ . 1 . 2]" 1 1352 1 39 THR H 1 42 ASP H . . 3.370 3.270 3.147 3.379 0.009 13 0 "[ . 1 . 2]" 1 1353 1 42 ASP H 1 43 ALA H . . 3.040 2.601 2.468 2.721 . 0 0 "[ . 1 . 2]" 1 1354 1 41 GLU H 1 42 ASP H . . 3.230 2.535 2.458 2.600 . 0 0 "[ . 1 . 2]" 1 1355 1 38 THR H 1 42 ASP H . . 4.520 4.230 4.115 4.350 . 0 0 "[ . 1 . 2]" 1 1356 1 40 LYS H 1 42 ASP H . . 4.600 4.502 4.435 4.557 . 0 0 "[ . 1 . 2]" 1 1357 1 38 THR H 1 43 ALA H . . 4.890 4.403 4.311 4.559 . 0 0 "[ . 1 . 2]" 1 1358 1 41 GLU H 1 44 LYS H . . 4.700 4.458 4.398 4.538 . 0 0 "[ . 1 . 2]" 1 1359 1 45 ARG H 1 46 VAL H . . 3.230 2.956 2.841 3.053 . 0 0 "[ . 1 . 2]" 1 1360 1 45 ARG H 1 47 ALA H . . 4.210 4.264 4.242 4.286 0.076 20 0 "[ . 1 . 2]" 1 1361 1 48 GLU H 1 78 ILE MG . . 3.730 2.846 2.798 2.894 . 0 0 "[ . 1 . 2]" 1 1362 1 45 ARG H 1 48 GLU H . . 4.770 4.740 4.681 4.811 0.041 17 0 "[ . 1 . 2]" 1 1363 1 47 ALA H 1 48 GLU H . . 3.320 2.801 2.687 2.889 . 0 0 "[ . 1 . 2]" 1 1364 1 48 GLU H 1 50 ALA H . . 4.460 4.421 4.395 4.461 0.001 3 0 "[ . 1 . 2]" 1 1365 1 49 GLU H 1 50 ALA H . . 3.330 2.530 2.450 2.623 . 0 0 "[ . 1 . 2]" 1 1366 1 49 GLU H 1 51 GLU H . . 4.020 3.981 3.896 4.027 0.007 10 0 "[ . 1 . 2]" 1 1367 1 50 ALA H 1 51 GLU H . . 3.460 2.877 2.844 2.915 . 0 0 "[ . 1 . 2]" 1 1368 1 50 ALA H 1 52 ARG H . . 4.170 4.187 4.155 4.200 0.030 4 0 "[ . 1 . 2]" 1 1369 1 51 GLU H 1 52 ARG H . . 3.180 2.515 2.421 2.589 . 0 0 "[ . 1 . 2]" 1 1370 1 53 ARG H 1 55 ALA H . . 4.670 4.408 4.277 4.599 . 0 0 "[ . 1 . 2]" 1 1371 1 54 ASN H 1 55 ALA H . . 3.310 2.796 2.744 2.871 . 0 0 "[ . 1 . 2]" 1 1372 1 53 ARG H 1 54 ASN H . . 3.000 2.244 2.122 2.331 . 0 0 "[ . 1 . 2]" 1 1373 1 54 ASN H 1 54 ASN HD22 . . 4.710 3.321 2.841 4.396 . 0 0 "[ . 1 . 2]" 1 1374 1 54 ASN H 1 54 ASN HB2 . . 3.420 3.307 3.208 3.365 . 0 0 "[ . 1 . 2]" 1 1375 1 54 ASN HB2 1 55 ALA H . . 4.770 4.479 4.446 4.529 . 0 0 "[ . 1 . 2]" 1 1376 1 2 ARG HD3 1 55 ALA H . . 5.170 5.050 4.859 5.187 0.017 8 0 "[ . 1 . 2]" 1 1377 1 55 ALA H 1 56 ASP HA . . 5.490 5.438 5.300 5.520 0.030 12 0 "[ . 1 . 2]" 1 1378 1 55 ALA H 1 56 ASP H . . 4.220 4.210 4.164 4.247 0.027 17 0 "[ . 1 . 2]" 1 1379 1 3 VAL HA 1 56 ASP H . . 4.750 4.778 4.746 4.809 0.059 10 0 "[ . 1 . 2]" 1 1380 1 2 ARG HA 1 56 ASP H . . 4.850 4.390 4.330 4.482 . 0 0 "[ . 1 . 2]" 1 1381 1 4 ILE H 1 57 ILE H . . 4.090 4.042 3.952 4.110 0.020 9 0 "[ . 1 . 2]" 1 1382 1 57 ILE H 1 58 VAL H . . 4.430 4.278 4.228 4.343 . 0 0 "[ . 1 . 2]" 1 1383 1 56 ASP H 1 57 ILE H . . 3.250 2.908 2.830 2.959 . 0 0 "[ . 1 . 2]" 1 1384 1 2 ARG H 1 57 ILE H . . 4.940 4.373 3.655 4.842 . 0 0 "[ . 1 . 2]" 1 1385 1 58 VAL H 1 85 LYS H . . 4.900 4.114 3.889 4.240 . 0 0 "[ . 1 . 2]" 1 1386 1 58 VAL H 1 85 LYS HG2 . . 4.820 4.407 4.260 4.516 . 0 0 "[ . 1 . 2]" 1 1387 1 58 VAL H 1 102 ALA MB . . 5.360 4.380 4.221 4.498 . 0 0 "[ . 1 . 2]" 1 1388 1 59 VAL H 1 86 THR MG . . 4.880 4.867 4.823 4.893 0.013 12 0 "[ . 1 . 2]" 1 1389 1 4 ILE H 1 59 VAL H . . 4.440 3.553 3.469 3.633 . 0 0 "[ . 1 . 2]" 1 1390 1 59 VAL H 1 60 ILE H . . 4.470 4.320 4.252 4.475 0.005 7 0 "[ . 1 . 2]" 1 1391 1 60 ILE H 1 86 THR HA . . 4.930 4.707 4.586 4.960 0.030 8 0 "[ . 1 . 2]" 1 1392 1 8 VAL H 1 61 VAL H . . 4.450 3.920 3.740 4.301 . 0 0 "[ . 1 . 2]" 1 1393 1 61 VAL H 1 62 GLY H . . 4.660 4.347 4.110 4.550 . 0 0 "[ . 1 . 2]" 1 1394 1 62 GLY H 1 89 VAL H . . 4.460 4.330 3.833 4.470 0.010 4 0 "[ . 1 . 2]" 1 1395 1 62 GLY H 1 72 ALA MB . . 4.900 4.898 4.578 4.935 0.035 5 0 "[ . 1 . 2]" 1 1396 1 69 SER HA 1 71 LEU H . . 4.710 3.646 3.131 4.075 . 0 0 "[ . 1 . 2]" 1 1397 1 71 LEU H 1 73 LYS H . . 5.120 4.479 4.233 4.598 . 0 0 "[ . 1 . 2]" 1 1398 1 71 LEU H 1 74 ILE H . . 5.470 4.698 4.582 4.749 . 0 0 "[ . 1 . 2]" 1 1399 1 40 LYS HA 1 71 LEU H . . 5.500 5.542 5.515 5.572 0.072 7 0 "[ . 1 . 2]" 1 1400 1 71 LEU H 1 72 ALA HA . . 5.500 5.481 5.430 5.515 0.015 16 0 "[ . 1 . 2]" 1 1401 1 72 ALA H 1 73 LYS H . . 3.270 2.700 2.581 2.760 . 0 0 "[ . 1 . 2]" 1 1402 1 74 ILE H 1 75 VAL HA . . 5.450 5.461 5.440 5.498 0.048 14 0 "[ . 1 . 2]" 1 1403 1 74 ILE H 1 75 VAL H . . 3.500 2.880 2.857 2.970 . 0 0 "[ . 1 . 2]" 1 1404 1 77 LYS H 1 78 ILE HG13 . . 4.660 4.709 4.689 4.722 0.062 20 0 "[ . 1 . 2]" 1 1405 1 79 ILE H 1 81 ARG H . . 4.610 4.362 4.272 4.461 . 0 0 "[ . 1 . 2]" 1 1406 1 78 ILE H 1 79 ILE H . . 3.510 2.780 2.732 2.837 . 0 0 "[ . 1 . 2]" 1 1407 1 78 ILE H 1 80 ALA H . . 4.260 4.235 4.185 4.267 0.007 4 0 "[ . 1 . 2]" 1 1408 1 80 ALA H 1 82 ALA H . . 4.540 4.001 3.951 4.064 . 0 0 "[ . 1 . 2]" 1 1409 1 80 ALA H 1 81 ARG H . . 3.390 2.870 2.787 2.943 . 0 0 "[ . 1 . 2]" 1 1410 1 79 ILE MD 1 81 ARG H . . 5.500 5.447 5.369 5.503 0.003 7 0 "[ . 1 . 2]" 1 1411 1 81 ARG H 1 82 ALA H . . 3.150 2.391 2.347 2.424 . 0 0 "[ . 1 . 2]" 1 1412 1 82 ALA H 1 84 ALA H . . 4.320 4.161 4.068 4.271 . 0 0 "[ . 1 . 2]" 1 1413 1 83 GLY H 1 84 ALA H . . 3.380 2.137 2.078 2.211 . 0 0 "[ . 1 . 2]" 1 1414 1 81 ARG H 1 83 GLY H . . 4.350 4.163 4.078 4.257 . 0 0 "[ . 1 . 2]" 1 1415 1 83 GLY H 1 84 ALA HA . . 4.940 4.946 4.929 4.961 0.021 5 0 "[ . 1 . 2]" 1 1416 1 79 ILE MG 1 83 GLY H . . 4.800 3.992 3.935 4.047 . 0 0 "[ . 1 . 2]" 1 1417 1 79 ILE MD 1 83 GLY H . . 5.500 5.518 5.504 5.533 0.033 16 0 "[ . 1 . 2]" 1 1418 1 56 ASP HA 1 85 LYS H . . 4.960 4.316 4.147 4.566 . 0 0 "[ . 1 . 2]" 1 1419 1 85 LYS H 1 86 THR H . . 4.560 4.328 4.261 4.379 . 0 0 "[ . 1 . 2]" 1 1420 1 86 THR H 1 87 ILE H . . 4.520 4.485 4.444 4.517 . 0 0 "[ . 1 . 2]" 1 1421 1 60 ILE H 1 88 GLU H . . 4.740 4.760 4.702 4.788 0.048 10 0 "[ . 1 . 2]" 1 1422 1 89 VAL H 1 98 ALA MB . . 4.900 3.571 3.315 3.793 . 0 0 "[ . 1 . 2]" 1 1423 1 99 VAL H 1 100 ALA H . . 3.410 2.771 2.691 2.848 . 0 0 "[ . 1 . 2]" 1 1424 1 100 ALA H 1 101 LYS H . . 3.500 2.855 2.811 2.890 . 0 0 "[ . 1 . 2]" 1 1425 1 102 ALA H 1 103 ARG H . . 3.610 2.341 2.235 2.418 . 0 0 "[ . 1 . 2]" 1 1426 1 103 ARG H 1 106 TRP H . . 5.220 4.866 4.789 5.029 . 0 0 "[ . 1 . 2]" 1 1427 1 103 ARG H 1 104 GLY H . . 3.390 2.604 2.548 2.652 . 0 0 "[ . 1 . 2]" 1 1428 1 104 GLY H 1 106 TRP H . . 4.420 4.088 3.991 4.251 . 0 0 "[ . 1 . 2]" 1 1429 1 102 ALA H 1 104 GLY H . . 4.140 3.091 2.980 3.248 . 0 0 "[ . 1 . 2]" 1 1430 1 99 VAL HA 1 104 GLY H . . 4.840 4.868 4.763 4.909 0.069 14 0 "[ . 1 . 2]" 1 1431 1 104 GLY H 1 106 TRP HB2 . . 5.460 5.478 5.393 5.504 0.044 7 0 "[ . 1 . 2]" 1 1432 1 57 ILE MG 1 104 GLY H . . 5.170 5.122 4.957 5.197 0.027 15 0 "[ . 1 . 2]" 1 1433 1 100 ALA MB 1 105 SER H . . 4.980 4.493 4.345 4.673 . 0 0 "[ . 1 . 2]" 1 1434 1 102 ALA MB 1 105 SER H . . 4.680 4.532 4.468 4.630 . 0 0 "[ . 1 . 2]" 1 1435 1 105 SER H 1 106 TRP HB2 . . 5.000 5.048 5.008 5.072 0.072 8 0 "[ . 1 . 2]" 1 1436 1 105 SER H 1 106 TRP H . . 3.790 2.988 2.934 3.045 . 0 0 "[ . 1 . 2]" 1 1437 1 103 ARG H 1 105 SER H . . 4.880 4.263 4.173 4.353 . 0 0 "[ . 1 . 2]" 1 1438 1 47 ALA H 1 49 GLU H . . 4.010 3.803 3.712 3.898 . 0 0 "[ . 1 . 2]" 1 1439 1 57 ILE MD 1 106 TRP HE1 . . 4.950 4.026 3.735 4.242 . 0 0 "[ . 1 . 2]" 1 1440 1 57 ILE HG12 1 106 TRP HE1 . . 5.010 3.450 3.224 3.603 . 0 0 "[ . 1 . 2]" 1 1441 1 85 LYS HG2 1 106 TRP HE1 . . 4.870 4.525 4.215 4.637 . 0 0 "[ . 1 . 2]" 1 1442 1 56 ASP HB2 1 106 TRP HE1 . . 5.000 4.311 4.061 4.636 . 0 0 "[ . 1 . 2]" 1 1443 1 106 TRP HA 1 106 TRP HE1 . . 5.270 5.032 4.931 5.123 . 0 0 "[ . 1 . 2]" 1 1444 1 105 SER H 1 107 SER H . . 5.220 4.800 4.565 4.962 . 0 0 "[ . 1 . 2]" 1 1445 1 106 TRP HE3 1 107 SER H . . 4.090 3.138 2.969 3.467 . 0 0 "[ . 1 . 2]" 1 1446 1 107 SER H 1 108 LEU H . . 3.560 2.529 2.481 2.629 . 0 0 "[ . 1 . 2]" 1 1447 1 8 VAL HB 1 9 GLY H . . 5.210 4.422 4.191 4.512 . 0 0 "[ . 1 . 2]" 1 1448 1 9 GLY H 1 36 THR MG . . 5.010 4.419 4.198 4.788 . 0 0 "[ . 1 . 2]" 1 1449 1 13 ALA MB 1 14 GLY H . . 4.710 3.007 2.518 3.481 . 0 0 "[ . 1 . 2]" 1 1450 1 15 LYS HB2 1 16 THR H . . 4.620 3.116 2.118 4.295 . 0 0 "[ . 1 . 2]" 1 1451 1 19 ASP H 1 20 GLU H . . 4.050 2.554 2.467 2.604 . 0 0 "[ . 1 . 2]" 1 1452 1 25 ALA H 1 26 LYS H . . 4.330 3.154 3.093 3.196 . 0 0 "[ . 1 . 2]" 1 1453 1 27 GLU H 1 29 VAL H . . 4.330 4.044 3.984 4.106 . 0 0 "[ . 1 . 2]" 1 1454 1 27 GLU H 1 28 GLU H . . 3.810 2.907 2.856 2.964 . 0 0 "[ . 1 . 2]" 1 1455 1 28 GLU H 1 29 VAL H . . 3.920 2.509 2.447 2.575 . 0 0 "[ . 1 . 2]" 1 1456 1 35 ARG HD3 1 36 THR H . . 5.440 5.446 5.397 5.480 0.040 12 0 "[ . 1 . 2]" 1 1457 1 35 ARG HD2 1 36 THR H . . 5.320 5.263 5.135 5.336 0.016 17 0 "[ . 1 . 2]" 1 1458 1 35 ARG HB2 1 36 THR H . . 4.600 2.194 2.112 2.256 . 0 0 "[ . 1 . 2]" 1 1459 1 36 THR HB 1 37 VAL H . . 4.760 2.443 2.350 2.606 . 0 0 "[ . 1 . 2]" 1 1460 1 2 ARG HD2 1 3 VAL H . . 5.410 4.921 4.801 5.281 . 0 0 "[ . 1 . 2]" 1 1461 1 7 ILE HG12 1 18 LEU H . . 5.500 5.323 5.131 5.504 0.004 4 0 "[ . 1 . 2]" 1 1462 1 16 THR MG 1 18 LEU H . . 5.500 5.452 5.272 5.525 0.025 10 0 "[ . 1 . 2]" 1 1463 1 42 ASP HB3 1 45 ARG H . . 5.500 5.323 5.195 5.481 . 0 0 "[ . 1 . 2]" 1 1464 1 101 LYS H 1 102 ALA H . . 2.970 2.987 2.958 3.009 0.039 18 0 "[ . 1 . 2]" 1 1465 1 56 ASP HB3 1 57 ILE H . . 3.630 2.919 2.748 3.509 . 0 0 "[ . 1 . 2]" 1 1466 1 4 ILE H 1 58 VAL H . . 5.500 4.877 4.834 4.916 . 0 0 "[ . 1 . 2]" 1 1467 1 58 VAL H 1 86 THR H . . 5.500 4.881 4.831 4.910 . 0 0 "[ . 1 . 2]" 1 1468 1 57 ILE MG 1 58 VAL H . . 3.200 2.673 2.609 2.721 . 0 0 "[ . 1 . 2]" 1 1469 1 58 VAL H 1 59 VAL H . . 4.350 3.919 3.863 3.988 . 0 0 "[ . 1 . 2]" 1 1470 1 7 ILE HG12 1 61 VAL H . . 5.280 5.245 5.111 5.288 0.008 1 0 "[ . 1 . 2]" 1 1471 1 75 VAL HA 1 77 LYS H . . 4.760 4.322 4.269 4.366 . 0 0 "[ . 1 . 2]" 1 1472 1 77 LYS H 1 79 ILE H . . 4.440 4.188 4.146 4.246 . 0 0 "[ . 1 . 2]" 1 1473 1 80 ALA H 1 83 GLY H . . 5.350 5.354 5.250 5.408 0.058 7 0 "[ . 1 . 2]" 1 1474 1 84 ALA H 1 85 LYS H . . 4.480 4.453 4.394 4.485 0.005 2 0 "[ . 1 . 2]" 1 1475 1 87 ILE H 1 87 ILE MD . . 3.850 2.048 1.964 2.215 . 0 0 "[ . 1 . 2]" 1 1476 1 87 ILE MD 1 88 GLU H . . 4.630 4.703 4.693 4.724 0.094 19 0 "[ . 1 . 2]" 1 1477 1 98 ALA H 1 99 VAL H . . 4.300 2.852 2.731 3.008 . 0 0 "[ . 1 . 2]" 1 1478 1 57 ILE HG13 1 106 TRP HE1 . . 5.320 4.310 4.138 4.522 . 0 0 "[ . 1 . 2]" 1 1479 1 85 LYS H 1 106 TRP HE1 . . 5.500 5.481 5.179 5.549 0.049 16 0 "[ . 1 . 2]" 1 1480 1 9 GLY HA2 1 11 SER H . . 5.150 3.170 2.415 4.159 . 0 0 "[ . 1 . 2]" 1 1481 1 9 GLY HA3 1 11 SER H . . 5.150 4.073 3.775 4.843 . 0 0 "[ . 1 . 2]" 1 1482 1 28 GLU H 1 29 VAL MG2 . . 5.500 4.029 3.974 4.090 . 0 0 "[ . 1 . 2]" 1 1483 1 2 ARG HG3 1 3 VAL H . . 3.900 2.501 2.186 2.930 . 0 0 "[ . 1 . 2]" 1 1484 1 33 GLU HB3 1 35 ARG HE . . 4.750 4.314 3.039 4.795 0.045 17 0 "[ . 1 . 2]" 1 1485 1 35 ARG HE 1 49 GLU HB3 . . 4.870 4.395 4.213 4.508 . 0 0 "[ . 1 . 2]" 1 1486 1 90 THR H 1 91 THR H . . 4.570 4.578 4.493 4.640 0.070 7 0 "[ . 1 . 2]" 1 1487 1 54 ASN HB2 1 54 ASN HD21 . . 3.490 3.257 2.472 3.543 0.053 2 0 "[ . 1 . 2]" 1 1488 1 54 ASN HB2 1 54 ASN HD22 . . 3.760 2.718 2.293 3.765 0.005 4 0 "[ . 1 . 2]" 1 1489 1 43 ALA HA 1 47 ALA H . . 4.230 3.906 3.816 3.944 . 0 0 "[ . 1 . 2]" 1 1490 1 70 THR HA 1 73 LYS H . . 3.500 3.358 3.174 3.472 . 0 0 "[ . 1 . 2]" 1 1491 1 51 GLU HA 1 55 ALA H . . 3.970 3.567 3.515 3.624 . 0 0 "[ . 1 . 2]" 1 1492 1 98 ALA HA 1 101 LYS H . . 4.480 3.525 3.251 3.695 . 0 0 "[ . 1 . 2]" 1 1493 1 99 VAL HA 1 101 LYS H . . 4.780 4.470 4.323 4.611 . 0 0 "[ . 1 . 2]" 1 1494 1 100 ALA HA 1 104 GLY H . . 3.210 2.761 2.574 2.833 . 0 0 "[ . 1 . 2]" 1 1495 1 3 VAL H 1 55 ALA HA . . 4.970 4.554 4.378 4.907 . 0 0 "[ . 1 . 2]" 1 1496 1 7 ILE MG 1 18 LEU H . . 4.760 3.698 3.483 3.891 . 0 0 "[ . 1 . 2]" 1 1497 1 35 ARG HE 1 46 VAL HA . . 5.190 4.032 3.890 4.297 . 0 0 "[ . 1 . 2]" 1 1498 1 35 ARG H 1 35 ARG HE . . 5.290 4.848 4.737 5.098 . 0 0 "[ . 1 . 2]" 1 1499 1 45 ARG HE 1 46 VAL H . . 5.410 5.265 4.896 5.436 0.026 9 0 "[ . 1 . 2]" 1 1500 1 52 ARG H 1 52 ARG HE . . 5.500 4.992 3.566 5.519 0.019 14 0 "[ . 1 . 2]" 1 1501 1 48 GLU H 1 49 GLU H . . 3.170 2.747 2.712 2.778 . 0 0 "[ . 1 . 2]" 1 1502 1 48 GLU H 1 50 ALA MB . . 5.010 4.930 4.892 4.978 . 0 0 "[ . 1 . 2]" 1 1503 1 4 ILE MD 1 54 ASN H . . 5.360 5.047 4.912 5.233 . 0 0 "[ . 1 . 2]" 1 1504 1 6 VAL H 1 60 ILE H . . 4.710 4.594 4.541 4.733 0.023 7 0 "[ . 1 . 2]" 1 1505 1 7 ILE HG13 1 61 VAL H . . 4.970 3.588 3.408 3.626 . 0 0 "[ . 1 . 2]" 1 1506 1 68 LYS H 1 69 SER H . . 5.170 2.448 1.773 3.214 . 0 0 "[ . 1 . 2]" 1 1507 1 69 SER HA 1 73 LYS H . . 5.500 5.505 5.257 5.609 0.109 3 0 "[ . 1 . 2]" 1 1508 1 76 LYS H 1 77 LYS H . . 3.430 2.891 2.849 2.932 . 0 0 "[ . 1 . 2]" 1 1509 1 76 LYS HB3 1 77 LYS H . . 3.270 2.948 2.886 3.055 . 0 0 "[ . 1 . 2]" 1 1510 1 79 ILE H 1 80 ALA HA . . 4.980 5.070 5.042 5.101 0.121 20 0 "[ . 1 . 2]" 1 1511 1 79 ILE H 1 80 ALA H . . 2.700 2.510 2.479 2.543 . 0 0 "[ . 1 . 2]" 1 1512 1 79 ILE H 1 82 ALA H . . 4.650 4.710 4.677 4.744 0.094 7 0 "[ . 1 . 2]" 1 1513 1 82 ALA H 1 83 GLY H . . 2.970 2.653 2.573 2.755 . 0 0 "[ . 1 . 2]" 1 1514 1 79 ILE MD 1 84 ALA H . . 5.500 5.509 5.270 5.532 0.032 3 0 "[ . 1 . 2]" 1 1515 1 59 VAL H 1 87 ILE H . . 5.070 4.875 4.852 4.917 . 0 0 "[ . 1 . 2]" 1 1516 1 9 GLY H 1 37 VAL HB . . 5.500 5.556 5.466 5.628 0.128 4 0 "[ . 1 . 2]" 1 1517 1 22 ALA H 1 23 ARG H . . 4.230 2.869 2.807 2.922 . 0 0 "[ . 1 . 2]" 1 1518 1 54 ASN H 1 54 ASN HD21 . . 4.670 3.516 2.686 3.877 . 0 0 "[ . 1 . 2]" 1 1519 1 36 THR MG 1 37 VAL H . . 4.530 3.881 3.831 3.947 . 0 0 "[ . 1 . 2]" 1 1520 1 35 ARG H 1 36 THR H . . 5.380 4.500 4.463 4.516 . 0 0 "[ . 1 . 2]" 1 1521 1 24 LYS H 1 26 LYS H . . 5.500 4.780 4.679 4.860 . 0 0 "[ . 1 . 2]" 1 1522 1 24 LYS H 1 27 GLU H . . 5.500 4.825 4.735 4.903 . 0 0 "[ . 1 . 2]" 1 1523 1 23 ARG H 1 24 LYS H . . 4.050 3.024 2.972 3.082 . 0 0 "[ . 1 . 2]" 1 1524 1 1 MET QB 1 3 VAL QG . . 5.090 4.468 4.303 4.733 . 0 0 "[ . 1 . 2]" 1 1525 1 1 MET QB 1 56 ASP HB2 . . 5.160 3.262 2.403 4.861 . 0 0 "[ . 1 . 2]" 1 1526 1 1 MET QB 1 57 ILE MD . . 5.340 4.271 3.930 4.863 . 0 0 "[ . 1 . 2]" 1 1527 1 1 MET QB 1 106 TRP HE1 . . 5.340 4.173 3.514 5.337 . 0 0 "[ . 1 . 2]" 1 1528 1 1 MET QG 1 2 ARG H . . 4.910 3.263 2.459 4.011 . 0 0 "[ . 1 . 2]" 1 1529 1 1 MET QG 1 56 ASP HB2 . . 4.330 3.547 2.955 4.257 . 0 0 "[ . 1 . 2]" 1 1530 1 1 MET QG 1 56 ASP HB3 . . 4.590 2.882 2.327 3.411 . 0 0 "[ . 1 . 2]" 1 1531 1 1 MET QG 1 57 ILE HG12 . . 4.240 3.811 3.524 4.260 0.020 5 0 "[ . 1 . 2]" 1 1532 1 1 MET QG 1 57 ILE HG13 . . 4.050 2.980 2.647 3.466 . 0 0 "[ . 1 . 2]" 1 1533 1 1 MET QG 1 57 ILE MD . . 3.010 2.607 2.323 3.024 0.014 20 0 "[ . 1 . 2]" 1 1534 1 1 MET QG 1 106 TRP HB3 . . 5.160 4.802 4.244 5.184 0.024 3 0 "[ . 1 . 2]" 1 1535 1 1 MET QG 1 106 TRP HD1 . . 5.340 4.761 4.475 5.301 . 0 0 "[ . 1 . 2]" 1 1536 1 1 MET QG 1 106 TRP HE1 . . 4.650 3.760 3.321 4.218 . 0 0 "[ . 1 . 2]" 1 1537 1 2 ARG H 1 2 ARG QD . . 5.270 5.097 4.913 5.320 0.050 20 0 "[ . 1 . 2]" 1 1538 1 2 ARG H 1 3 VAL QG . . 5.130 4.403 3.784 4.715 . 0 0 "[ . 1 . 2]" 1 1539 1 2 ARG HA 1 2 ARG QG . . 3.320 2.224 2.172 2.290 . 0 0 "[ . 1 . 2]" 1 1540 1 2 ARG HA 1 2 ARG QD . . 4.160 4.119 4.056 4.168 0.008 5 0 "[ . 1 . 2]" 1 1541 1 2 ARG HA 1 3 VAL QG . . 3.650 3.485 3.328 3.630 . 0 0 "[ . 1 . 2]" 1 1542 1 2 ARG HB2 1 2 ARG QD . . 3.650 2.922 2.858 2.959 . 0 0 "[ . 1 . 2]" 1 1543 1 2 ARG QG 1 3 VAL H . . 3.420 2.261 2.082 2.617 . 0 0 "[ . 1 . 2]" 1 1544 1 2 ARG QG 1 32 ALA HA . . 4.580 3.364 3.210 3.556 . 0 0 "[ . 1 . 2]" 1 1545 1 2 ARG QG 1 33 GLU H . . 5.340 4.148 3.998 4.377 . 0 0 "[ . 1 . 2]" 1 1546 1 2 ARG QG 1 33 GLU QG . . 3.610 3.339 3.039 3.613 0.003 10 0 "[ . 1 . 2]" 1 1547 1 2 ARG QG 1 55 ALA HA . . 3.530 2.501 2.228 2.713 . 0 0 "[ . 1 . 2]" 1 1548 1 2 ARG QG 1 56 ASP H . . 4.140 3.746 3.620 3.840 . 0 0 "[ . 1 . 2]" 1 1549 1 2 ARG QD 1 3 VAL H . . 4.730 4.175 4.032 4.547 . 0 0 "[ . 1 . 2]" 1 1550 1 2 ARG QD 1 4 ILE MD . . 4.640 3.271 3.030 3.506 . 0 0 "[ . 1 . 2]" 1 1551 1 2 ARG QD 1 33 GLU QG . . 4.090 2.758 2.427 3.220 . 0 0 "[ . 1 . 2]" 1 1552 1 2 ARG QD 1 53 ARG H . . 5.190 4.773 4.665 4.846 . 0 0 "[ . 1 . 2]" 1 1553 1 2 ARG QD 1 53 ARG HB2 . . 3.040 2.825 2.482 3.048 0.008 16 0 "[ . 1 . 2]" 1 1554 1 2 ARG QD 1 53 ARG HG3 . . 3.260 2.168 2.078 2.308 . 0 0 "[ . 1 . 2]" 1 1555 1 2 ARG QD 1 54 ASN H . . 4.760 4.168 4.051 4.333 . 0 0 "[ . 1 . 2]" 1 1556 1 2 ARG QD 1 55 ALA H . . 4.550 3.516 3.380 3.666 . 0 0 "[ . 1 . 2]" 1 1557 1 2 ARG QD 1 55 ALA HA . . 3.780 2.663 2.451 2.936 . 0 0 "[ . 1 . 2]" 1 1558 1 2 ARG QD 1 55 ALA MB . . 3.860 3.163 3.044 3.330 . 0 0 "[ . 1 . 2]" 1 1559 1 2 ARG QD 1 56 ASP H . . 4.560 4.131 3.891 4.363 . 0 0 "[ . 1 . 2]" 1 1560 1 3 VAL H 1 3 VAL QG . . 2.950 2.778 2.648 2.888 . 0 0 "[ . 1 . 2]" 1 1561 1 3 VAL H 1 33 GLU QG . . 4.940 4.789 4.566 4.956 0.016 20 0 "[ . 1 . 2]" 1 1562 1 3 VAL QG 1 29 VAL HB . . 3.610 3.356 3.206 3.485 . 0 0 "[ . 1 . 2]" 1 1563 1 3 VAL QG 1 31 ASP H . . 4.460 5.465 5.423 5.522 1.062 8 20 [*******+*******-****] 1 1564 1 3 VAL QG 1 31 ASP QB . . 4.480 4.398 4.172 4.694 0.214 18 0 "[ . 1 . 2]" 1 1565 1 3 VAL QG 1 32 ALA H . . 3.550 4.581 4.460 4.737 1.187 7 20 [******+**-**********] 1 1566 1 3 VAL QG 1 32 ALA HA . . 3.460 3.757 3.673 3.889 0.429 7 0 "[ . 1 . 2]" 1 1567 1 3 VAL QG 1 32 ALA MB . . 2.500 2.250 2.086 2.397 . 0 0 "[ . 1 . 2]" 1 1568 1 4 ILE H 1 5 VAL QG . . 3.980 4.027 3.976 4.113 0.133 19 0 "[ . 1 . 2]" 1 1569 1 4 ILE MG 1 33 GLU QG . . 3.950 3.948 3.840 3.999 0.049 9 0 "[ . 1 . 2]" 1 1570 1 4 ILE HG12 1 33 GLU QG . . 4.410 2.207 2.122 2.326 . 0 0 "[ . 1 . 2]" 1 1571 1 4 ILE HG13 1 33 GLU QG . . 4.090 3.002 2.839 3.204 . 0 0 "[ . 1 . 2]" 1 1572 1 4 ILE MD 1 33 GLU QG . . 3.430 2.210 2.082 2.270 . 0 0 "[ . 1 . 2]" 1 1573 1 4 ILE MD 1 53 ARG QD . . 3.610 2.704 2.528 2.971 . 0 0 "[ . 1 . 2]" 1 1574 1 5 VAL H 1 5 VAL QG . . 3.320 2.884 2.792 2.916 . 0 0 "[ . 1 . 2]" 1 1575 1 5 VAL H 1 33 GLU QG . . 5.110 5.161 5.118 5.202 0.092 20 0 "[ . 1 . 2]" 1 1576 1 5 VAL HA 1 5 VAL QG . . 2.780 2.146 2.130 2.235 . 0 0 "[ . 1 . 2]" 1 1577 1 5 VAL QG 1 6 VAL H . . 4.080 2.935 2.884 3.119 . 0 0 "[ . 1 . 2]" 1 1578 1 5 VAL QG 1 59 VAL H . . 3.160 3.510 3.386 3.799 0.639 19 1 "[ . 1 . +2]" 1 1579 1 6 VAL H 1 6 VAL QG . . 2.880 2.580 2.531 2.649 . 0 0 "[ . 1 . 2]" 1 1580 1 6 VAL H 1 60 ILE QG . . 4.780 4.837 4.782 4.853 0.073 12 0 "[ . 1 . 2]" 1 1581 1 6 VAL H 1 61 VAL QG . . 3.740 3.702 3.542 4.114 0.374 7 0 "[ . 1 . 2]" 1 1582 1 6 VAL HA 1 6 VAL QG . . 2.670 2.083 2.062 2.107 . 0 0 "[ . 1 . 2]" 1 1583 1 6 VAL QG 1 7 ILE H . . 3.110 2.368 2.290 2.424 . 0 0 "[ . 1 . 2]" 1 1584 1 6 VAL QG 1 7 ILE HA . . 4.310 3.729 3.541 3.841 . 0 0 "[ . 1 . 2]" 1 1585 1 6 VAL QG 1 35 ARG HA . . 5.030 4.867 4.829 4.937 . 0 0 "[ . 1 . 2]" 1 1586 1 6 VAL QG 1 35 ARG HB2 . . 4.430 4.166 4.096 4.240 . 0 0 "[ . 1 . 2]" 1 1587 1 7 ILE HA 1 61 VAL QG . . 3.560 3.234 3.200 3.286 . 0 0 "[ . 1 . 2]" 1 1588 1 7 ILE HG13 1 21 LEU QB . . 4.320 3.899 3.772 4.057 . 0 0 "[ . 1 . 2]" 1 1589 1 7 ILE MD 1 21 LEU QB . . 3.580 2.930 2.749 3.033 . 0 0 "[ . 1 . 2]" 1 1590 1 7 ILE MD 1 61 VAL QG . . 2.950 3.185 3.072 3.295 0.345 19 0 "[ . 1 . 2]" 1 1591 1 8 VAL QG 1 9 GLY H . . 4.130 3.058 2.769 3.191 . 0 0 "[ . 1 . 2]" 1 1592 1 8 VAL QG 1 62 GLY QA . . 4.400 2.548 2.266 2.804 . 0 0 "[ . 1 . 2]" 1 1593 1 9 GLY H 1 18 LEU QD . . 5.190 4.404 4.251 4.552 . 0 0 "[ . 1 . 2]" 1 1594 1 9 GLY H 1 37 VAL QG . . 4.400 3.555 3.447 3.647 . 0 0 "[ . 1 . 2]" 1 1595 1 9 GLY QA 1 10 PRO QB . . 4.640 3.808 3.730 3.896 . 0 0 "[ . 1 . 2]" 1 1596 1 9 GLY QA 1 11 SER H . . 4.520 3.024 2.389 3.873 . 0 0 "[ . 1 . 2]" 1 1597 1 9 GLY QA 1 18 LEU QD . . 3.660 2.155 1.991 2.322 . 0 0 "[ . 1 . 2]" 1 1598 1 9 GLY QA 1 36 THR MG . . 4.760 3.263 2.639 3.649 . 0 0 "[ . 1 . 2]" 1 1599 1 10 PRO HA 1 18 LEU QD . . 3.190 1.997 1.868 2.099 . 0 0 "[ . 1 . 2]" 1 1600 1 10 PRO QB 1 36 THR MG . . 5.340 4.660 3.971 5.076 . 0 0 "[ . 1 . 2]" 1 1601 1 10 PRO QG 1 11 SER H . . 4.590 3.295 1.946 4.546 . 0 0 "[ . 1 . 2]" 1 1602 1 10 PRO QG 1 11 SER QB . . 4.760 4.024 3.523 4.811 0.051 19 0 "[ . 1 . 2]" 1 1603 1 10 PRO QD 1 36 THR MG . . 5.350 4.600 3.893 5.384 0.034 4 0 "[ . 1 . 2]" 1 1604 1 10 PRO QD 1 38 THR MG . . 4.340 3.257 2.831 3.726 . 0 0 "[ . 1 . 2]" 1 1605 1 11 SER H 1 18 LEU QD . . 5.050 3.834 2.315 4.525 . 0 0 "[ . 1 . 2]" 1 1606 1 11 SER QB 1 12 GLY H . . 3.530 3.314 2.606 3.661 0.131 8 0 "[ . 1 . 2]" 1 1607 1 12 GLY QA 1 13 ALA HA . . 4.420 4.098 4.015 4.142 . 0 0 "[ . 1 . 2]" 1 1608 1 12 GLY QA 1 14 GLY H . . 4.740 4.083 3.563 4.744 0.004 11 0 "[ . 1 . 2]" 1 1609 1 13 ALA MB 1 62 GLY QA . . 4.370 2.608 2.224 3.293 . 0 0 "[ . 1 . 2]" 1 1610 1 14 GLY QA 1 15 LYS HA . . 4.320 4.052 3.976 4.396 0.076 16 0 "[ . 1 . 2]" 1 1611 1 14 GLY QA 1 15 LYS QB . . 4.540 4.126 3.799 4.316 . 0 0 "[ . 1 . 2]" 1 1612 1 14 GLY QA 1 15 LYS QG . . 3.810 3.362 3.219 3.617 . 0 0 "[ . 1 . 2]" 1 1613 1 14 GLY QA 1 15 LYS QD . . 5.180 4.848 3.766 5.227 0.047 11 0 "[ . 1 . 2]" 1 1614 1 14 GLY QA 1 15 LYS QE . . 4.680 4.537 4.119 4.712 0.032 20 0 "[ . 1 . 2]" 1 1615 1 15 LYS QB 1 16 THR H . . 4.050 2.974 2.055 3.857 . 0 0 "[ . 1 . 2]" 1 1616 1 15 LYS QB 1 16 THR HA . . 5.320 4.353 3.974 4.871 . 0 0 "[ . 1 . 2]" 1 1617 1 15 LYS QB 1 16 THR HB . . 5.340 4.770 4.315 5.353 0.013 13 0 "[ . 1 . 2]" 1 1618 1 15 LYS QE 1 15 LYS QG . . 2.640 2.226 2.072 2.433 . 0 0 "[ . 1 . 2]" 1 1619 1 15 LYS QD 1 15 LYS QE . . 2.370 2.095 2.013 2.126 . 0 0 "[ . 1 . 2]" 1 1620 1 16 THR HA 1 19 ASP QB . . 5.290 2.486 2.225 2.837 . 0 0 "[ . 1 . 2]" 1 1621 1 16 THR MG 1 19 ASP QB . . 3.940 2.841 2.474 3.278 . 0 0 "[ . 1 . 2]" 1 1622 1 16 THR MG 1 20 GLU QG . . 4.220 3.508 3.233 3.710 . 0 0 "[ . 1 . 2]" 1 1623 1 17 THR MG 1 19 ASP QB . . 5.140 5.159 5.116 5.283 0.143 10 0 "[ . 1 . 2]" 1 1624 1 18 LEU H 1 18 LEU QD . . 4.980 2.905 2.780 3.003 . 0 0 "[ . 1 . 2]" 1 1625 1 18 LEU H 1 19 ASP QB . . 5.260 4.257 3.977 4.357 . 0 0 "[ . 1 . 2]" 1 1626 1 18 LEU HA 1 18 LEU QD . . 3.650 3.476 3.455 3.502 . 0 0 "[ . 1 . 2]" 1 1627 1 18 LEU HA 1 19 ASP QB . . 5.340 5.064 4.917 5.147 . 0 0 "[ . 1 . 2]" 1 1628 1 18 LEU HA 1 21 LEU QB . . 3.310 2.281 2.248 2.313 . 0 0 "[ . 1 . 2]" 1 1629 1 18 LEU QB 1 18 LEU QD . . 2.740 1.923 1.902 1.940 . 0 0 "[ . 1 . 2]" 1 1630 1 18 LEU QB 1 36 THR HB . . 4.910 4.019 3.877 4.140 . 0 0 "[ . 1 . 2]" 1 1631 1 18 LEU QB 1 36 THR MG . . 3.420 2.251 2.128 2.342 . 0 0 "[ . 1 . 2]" 1 1632 1 18 LEU HG 1 19 ASP QB . . 4.660 3.259 3.103 3.492 . 0 0 "[ . 1 . 2]" 1 1633 1 18 LEU QD 1 36 THR HA . . 5.440 4.948 4.785 5.068 . 0 0 "[ . 1 . 2]" 1 1634 1 18 LEU QD 1 36 THR HB . . 3.700 3.475 3.295 3.621 . 0 0 "[ . 1 . 2]" 1 1635 1 19 ASP H 1 19 ASP QB . . 3.430 2.148 2.058 2.204 . 0 0 "[ . 1 . 2]" 1 1636 1 19 ASP H 1 20 GLU QG . . 4.570 3.779 3.699 3.881 . 0 0 "[ . 1 . 2]" 1 1637 1 19 ASP H 1 21 LEU QB . . 4.290 3.984 3.832 4.057 . 0 0 "[ . 1 . 2]" 1 1638 1 19 ASP H 1 21 LEU QD . . 4.910 4.719 4.513 4.793 . 0 0 "[ . 1 . 2]" 1 1639 1 19 ASP QB 1 20 GLU H . . 4.140 2.058 1.920 2.287 . 0 0 "[ . 1 . 2]" 1 1640 1 19 ASP QB 1 20 GLU HA . . 3.760 3.830 3.796 3.859 0.099 11 0 "[ . 1 . 2]" 1 1641 1 19 ASP QB 1 20 GLU HB2 . . 5.070 5.024 4.954 5.086 0.016 1 0 "[ . 1 . 2]" 1 1642 1 19 ASP QB 1 20 GLU HB3 . . 5.030 3.675 3.558 3.808 . 0 0 "[ . 1 . 2]" 1 1643 1 19 ASP QB 1 20 GLU QG . . 4.340 4.002 3.870 4.188 . 0 0 "[ . 1 . 2]" 1 1644 1 19 ASP QB 1 21 LEU H . . 4.200 4.177 4.089 4.269 0.069 14 0 "[ . 1 . 2]" 1 1645 1 20 GLU H 1 23 ARG QD . . 3.620 3.672 3.652 3.703 0.083 14 0 "[ . 1 . 2]" 1 1646 1 20 GLU HA 1 20 GLU QG . . 3.470 3.379 3.368 3.391 . 0 0 "[ . 1 . 2]" 1 1647 1 20 GLU HA 1 23 ARG QB . . 3.060 2.333 2.270 2.388 . 0 0 "[ . 1 . 2]" 1 1648 1 20 GLU HA 1 23 ARG QG . . 4.190 3.863 3.705 3.996 . 0 0 "[ . 1 . 2]" 1 1649 1 20 GLU HA 1 23 ARG QD . . 3.350 2.329 2.051 2.528 . 0 0 "[ . 1 . 2]" 1 1650 1 20 GLU HA 1 24 LYS QG . . 4.280 3.819 3.574 3.983 . 0 0 "[ . 1 . 2]" 1 1651 1 20 GLU HA 1 24 LYS QE . . 5.040 3.569 3.357 5.080 0.040 12 0 "[ . 1 . 2]" 1 1652 1 20 GLU HB2 1 24 LYS QE . . 4.340 2.268 2.046 3.985 . 0 0 "[ . 1 . 2]" 1 1653 1 20 GLU QG 1 21 LEU H . . 3.520 2.498 2.439 2.524 . 0 0 "[ . 1 . 2]" 1 1654 1 20 GLU QG 1 21 LEU HA . . 3.730 3.509 3.413 3.565 . 0 0 "[ . 1 . 2]" 1 1655 1 20 GLU QG 1 21 LEU QB . . 3.760 3.791 3.773 3.808 0.048 16 0 "[ . 1 . 2]" 1 1656 1 20 GLU QG 1 24 LYS QE . . 4.260 2.870 2.447 3.798 . 0 0 "[ . 1 . 2]" 1 1657 1 21 LEU H 1 21 LEU QB . . 3.000 2.157 2.125 2.186 . 0 0 "[ . 1 . 2]" 1 1658 1 21 LEU H 1 21 LEU QD . . 3.060 2.691 2.603 2.733 . 0 0 "[ . 1 . 2]" 1 1659 1 21 LEU HA 1 21 LEU QD . . 2.600 2.035 2.020 2.060 . 0 0 "[ . 1 . 2]" 1 1660 1 21 LEU HA 1 24 LYS QE . . 4.610 3.369 2.848 3.969 . 0 0 "[ . 1 . 2]" 1 1661 1 21 LEU QB 1 21 LEU QD . . 2.510 2.044 2.030 2.062 . 0 0 "[ . 1 . 2]" 1 1662 1 21 LEU QD 1 22 ALA H . . 4.260 4.051 4.025 4.078 . 0 0 "[ . 1 . 2]" 1 1663 1 21 LEU QD 1 24 LYS QE . . 4.460 3.109 2.604 3.500 . 0 0 "[ . 1 . 2]" 1 1664 1 23 ARG H 1 23 ARG QB . . 3.430 2.332 2.294 2.386 . 0 0 "[ . 1 . 2]" 1 1665 1 23 ARG H 1 23 ARG QG . . 4.440 2.377 2.314 2.478 . 0 0 "[ . 1 . 2]" 1 1666 1 23 ARG HA 1 23 ARG QD . . 4.800 4.145 4.052 4.207 . 0 0 "[ . 1 . 2]" 1 1667 1 23 ARG QB 1 23 ARG QG . . 2.350 2.109 2.078 2.118 . 0 0 "[ . 1 . 2]" 1 1668 1 23 ARG QB 1 23 ARG QD . . 2.820 2.301 2.077 2.430 . 0 0 "[ . 1 . 2]" 1 1669 1 23 ARG QB 1 23 ARG HE . . 3.880 2.775 2.247 3.986 0.106 14 0 "[ . 1 . 2]" 1 1670 1 23 ARG QB 1 24 LYS H . . 3.650 2.278 2.173 2.359 . 0 0 "[ . 1 . 2]" 1 1671 1 23 ARG QD 1 23 ARG QG . . 2.320 2.034 1.988 2.131 . 0 0 "[ . 1 . 2]" 1 1672 1 23 ARG QG 1 24 LYS H . . 4.820 4.197 4.115 4.234 . 0 0 "[ . 1 . 2]" 1 1673 1 24 LYS H 1 24 LYS QB . . 3.240 2.390 2.354 2.438 . 0 0 "[ . 1 . 2]" 1 1674 1 24 LYS HA 1 24 LYS QG . . 2.970 2.286 2.236 2.386 . 0 0 "[ . 1 . 2]" 1 1675 1 24 LYS QB 1 24 LYS QG . . 2.300 2.127 2.104 2.133 . 0 0 "[ . 1 . 2]" 1 1676 1 24 LYS QB 1 24 LYS QE . . 2.840 2.207 2.033 2.716 . 0 0 "[ . 1 . 2]" 1 1677 1 24 LYS QE 1 24 LYS QG . . 2.560 2.298 2.247 2.542 . 0 0 "[ . 1 . 2]" 1 1678 1 24 LYS QG 1 25 ALA H . . 5.260 4.309 4.226 4.358 . 0 0 "[ . 1 . 2]" 1 1679 1 25 ALA HA 1 28 GLU QG . . 3.920 2.255 2.203 2.330 . 0 0 "[ . 1 . 2]" 1 1680 1 25 ALA HA 1 29 VAL QG . . 3.310 2.600 2.509 2.706 . 0 0 "[ . 1 . 2]" 1 1681 1 25 ALA MB 1 28 GLU QG . . 4.230 3.748 3.597 3.818 . 0 0 "[ . 1 . 2]" 1 1682 1 25 ALA MB 1 29 VAL QG . . 3.050 2.585 2.529 2.621 . 0 0 "[ . 1 . 2]" 1 1683 1 26 LYS H 1 26 LYS QD . . 3.990 3.939 3.777 4.006 0.016 8 0 "[ . 1 . 2]" 1 1684 1 26 LYS H 1 26 LYS QE . . 5.340 5.376 5.365 5.400 0.060 14 0 "[ . 1 . 2]" 1 1685 1 26 LYS H 1 29 VAL QG . . 4.720 3.959 3.840 4.007 . 0 0 "[ . 1 . 2]" 1 1686 1 26 LYS HA 1 26 LYS QG . . 3.050 2.556 2.522 2.597 . 0 0 "[ . 1 . 2]" 1 1687 1 26 LYS HA 1 26 LYS QD . . 3.250 2.416 2.234 2.573 . 0 0 "[ . 1 . 2]" 1 1688 1 26 LYS HA 1 26 LYS QE . . 3.580 3.193 3.165 3.217 . 0 0 "[ . 1 . 2]" 1 1689 1 26 LYS HA 1 28 GLU QG . . 4.920 4.958 4.920 4.978 0.058 12 0 "[ . 1 . 2]" 1 1690 1 26 LYS HA 1 29 VAL QG . . 3.120 2.841 2.689 2.916 . 0 0 "[ . 1 . 2]" 1 1691 1 26 LYS QE 1 26 LYS QG . . 2.540 2.029 1.971 2.312 . 0 0 "[ . 1 . 2]" 1 1692 1 26 LYS QG 1 30 PRO HA . . 3.700 2.404 2.362 2.452 . 0 0 "[ . 1 . 2]" 1 1693 1 26 LYS QG 1 30 PRO HB2 . . 4.570 4.537 4.481 4.580 0.010 11 0 "[ . 1 . 2]" 1 1694 1 26 LYS QG 1 30 PRO HD3 . . 5.340 5.016 4.908 5.241 . 0 0 "[ . 1 . 2]" 1 1695 1 26 LYS QG 1 31 ASP H . . 5.340 5.401 5.391 5.412 0.072 12 0 "[ . 1 . 2]" 1 1696 1 26 LYS QD 1 26 LYS QE . . 2.370 2.050 1.981 2.069 . 0 0 "[ . 1 . 2]" 1 1697 1 26 LYS QD 1 30 PRO HA . . 3.890 3.536 3.451 3.595 . 0 0 "[ . 1 . 2]" 1 1698 1 26 LYS QD 1 34 ILE HG12 . . 2.950 2.257 2.162 2.311 . 0 0 "[ . 1 . 2]" 1 1699 1 26 LYS QD 1 34 ILE MD . . 3.830 3.127 3.000 3.233 . 0 0 "[ . 1 . 2]" 1 1700 1 26 LYS QE 1 29 VAL QG . . 3.980 4.294 4.179 4.354 0.374 9 0 "[ . 1 . 2]" 1 1701 1 26 LYS QE 1 30 PRO HA . . 3.650 2.023 1.884 2.084 . 0 0 "[ . 1 . 2]" 1 1702 1 26 LYS QE 1 30 PRO HB2 . . 4.670 3.813 3.733 4.012 . 0 0 "[ . 1 . 2]" 1 1703 1 26 LYS QE 1 30 PRO HG2 . . 5.340 5.096 5.062 5.192 . 0 0 "[ . 1 . 2]" 1 1704 1 26 LYS QE 1 30 PRO HD2 . . 5.340 5.364 5.338 5.381 0.041 14 0 "[ . 1 . 2]" 1 1705 1 26 LYS QE 1 30 PRO HD3 . . 5.340 5.083 5.025 5.184 . 0 0 "[ . 1 . 2]" 1 1706 1 26 LYS QE 1 31 ASP H . . 5.060 3.785 3.712 3.829 . 0 0 "[ . 1 . 2]" 1 1707 1 26 LYS QE 1 31 ASP HA . . 4.640 4.183 3.931 4.340 . 0 0 "[ . 1 . 2]" 1 1708 1 26 LYS QE 1 32 ALA H . . 4.390 3.189 2.903 3.375 . 0 0 "[ . 1 . 2]" 1 1709 1 26 LYS QE 1 32 ALA MB . . 4.800 3.764 3.363 3.960 . 0 0 "[ . 1 . 2]" 1 1710 1 26 LYS QE 1 34 ILE HG13 . . 5.130 5.103 4.838 5.149 0.019 4 0 "[ . 1 . 2]" 1 1711 1 26 LYS QE 1 34 ILE MD . . 4.370 4.370 4.101 4.406 0.036 17 0 "[ . 1 . 2]" 1 1712 1 27 GLU H 1 27 GLU QB . . 3.670 2.246 2.096 2.308 . 0 0 "[ . 1 . 2]" 1 1713 1 27 GLU H 1 27 GLU QG . . 3.850 2.833 2.617 3.702 . 0 0 "[ . 1 . 2]" 1 1714 1 27 GLU H 1 28 GLU QG . . 4.710 4.479 4.385 4.544 . 0 0 "[ . 1 . 2]" 1 1715 1 27 GLU HA 1 27 GLU QG . . 2.780 2.259 2.184 2.392 . 0 0 "[ . 1 . 2]" 1 1716 1 28 GLU H 1 28 GLU QG . . 3.610 2.292 2.213 2.355 . 0 0 "[ . 1 . 2]" 1 1717 1 28 GLU H 1 29 VAL QG . . 4.010 3.779 3.748 3.816 . 0 0 "[ . 1 . 2]" 1 1718 1 28 GLU HA 1 28 GLU QG . . 3.410 3.368 3.348 3.413 0.003 4 0 "[ . 1 . 2]" 1 1719 1 28 GLU HA 1 29 VAL QG . . 4.160 4.145 4.059 4.203 0.043 14 0 "[ . 1 . 2]" 1 1720 1 28 GLU HB2 1 29 VAL QG . . 3.370 3.584 3.239 3.708 0.338 14 0 "[ . 1 . 2]" 1 1721 1 28 GLU QG 1 29 VAL HA . . 4.560 4.208 4.161 4.272 . 0 0 "[ . 1 . 2]" 1 1722 1 28 GLU QG 1 29 VAL QG . . 3.610 1.993 1.944 2.032 . 0 0 "[ . 1 . 2]" 1 1723 1 28 GLU QG 1 34 ILE MD . . 5.340 5.163 4.988 5.267 . 0 0 "[ . 1 . 2]" 1 1724 1 29 VAL H 1 29 VAL QG . . 3.780 2.429 2.390 2.448 . 0 0 "[ . 1 . 2]" 1 1725 1 29 VAL HA 1 29 VAL QG . . 2.750 2.286 2.260 2.307 . 0 0 "[ . 1 . 2]" 1 1726 1 29 VAL HB 1 31 ASP QB . . 4.610 3.959 3.582 4.508 . 0 0 "[ . 1 . 2]" 1 1727 1 29 VAL QG 1 30 PRO HA . . 4.280 4.425 4.387 4.458 0.178 2 0 "[ . 1 . 2]" 1 1728 1 29 VAL QG 1 30 PRO HD2 . . 3.910 3.737 3.707 3.764 . 0 0 "[ . 1 . 2]" 1 1729 1 29 VAL QG 1 30 PRO HD3 . . 4.060 4.091 4.031 4.110 0.050 3 0 "[ . 1 . 2]" 1 1730 1 29 VAL QG 1 31 ASP H . . 3.740 3.985 3.925 4.043 0.303 7 0 "[ . 1 . 2]" 1 1731 1 29 VAL QG 1 31 ASP HA . . 5.440 5.843 5.787 5.911 0.471 8 0 "[ . 1 . 2]" 1 1732 1 29 VAL QG 1 31 ASP QB . . 4.670 4.290 4.054 4.653 . 0 0 "[ . 1 . 2]" 1 1733 1 29 VAL QG 1 32 ALA H . . 3.200 3.396 3.350 3.448 0.248 7 0 "[ . 1 . 2]" 1 1734 1 29 VAL QG 1 32 ALA HA . . 4.180 4.322 4.173 4.384 0.204 8 0 "[ . 1 . 2]" 1 1735 1 29 VAL QG 1 32 ALA MB . . 2.600 2.000 1.960 2.059 . 0 0 "[ . 1 . 2]" 1 1736 1 30 PRO HB2 1 31 ASP QB . . 4.900 4.783 4.649 4.904 0.004 15 0 "[ . 1 . 2]" 1 1737 1 30 PRO HG2 1 31 ASP QB . . 4.280 3.666 3.489 3.856 . 0 0 "[ . 1 . 2]" 1 1738 1 30 PRO HD2 1 31 ASP QB . . 4.740 4.017 3.878 4.069 . 0 0 "[ . 1 . 2]" 1 1739 1 30 PRO HD3 1 31 ASP QB . . 5.340 5.360 5.342 5.381 0.041 4 0 "[ . 1 . 2]" 1 1740 1 31 ASP QB 1 32 ALA MB . . 4.430 3.771 3.552 4.207 . 0 0 "[ . 1 . 2]" 1 1741 1 32 ALA HA 1 33 GLU QG . . 4.240 3.461 3.280 3.637 . 0 0 "[ . 1 . 2]" 1 1742 1 33 GLU H 1 33 GLU QG . . 3.220 2.402 2.290 2.561 . 0 0 "[ . 1 . 2]" 1 1743 1 33 GLU HA 1 33 GLU QG . . 3.290 3.262 3.187 3.326 0.036 14 0 "[ . 1 . 2]" 1 1744 1 33 GLU QG 1 35 ARG HE . . 5.030 4.750 4.065 5.046 0.016 9 0 "[ . 1 . 2]" 1 1745 1 33 GLU QG 1 50 ALA HA . . 5.340 4.086 3.842 4.303 . 0 0 "[ . 1 . 2]" 1 1746 1 33 GLU QG 1 50 ALA MB . . 4.970 4.389 4.140 4.553 . 0 0 "[ . 1 . 2]" 1 1747 1 33 GLU QG 1 55 ALA MB . . 4.360 3.889 3.722 4.078 . 0 0 "[ . 1 . 2]" 1 1748 1 35 ARG H 1 46 VAL QG . . 5.240 4.740 4.305 4.897 . 0 0 "[ . 1 . 2]" 1 1749 1 35 ARG HA 1 46 VAL QG . . 4.960 4.574 4.441 4.635 . 0 0 "[ . 1 . 2]" 1 1750 1 35 ARG HB2 1 46 VAL QG . . 2.790 2.703 2.629 2.735 . 0 0 "[ . 1 . 2]" 1 1751 1 35 ARG HG2 1 46 VAL QG . . 2.960 2.503 2.132 2.668 . 0 0 "[ . 1 . 2]" 1 1752 1 35 ARG HD2 1 46 VAL QG . . 4.270 4.147 3.627 4.267 . 0 0 "[ . 1 . 2]" 1 1753 1 35 ARG HD3 1 46 VAL QG . . 4.230 3.998 3.285 4.196 . 0 0 "[ . 1 . 2]" 1 1754 1 35 ARG HE 1 46 VAL QG . . 4.260 3.379 1.973 4.073 . 0 0 "[ . 1 . 2]" 1 1755 1 36 THR H 1 46 VAL QG . . 3.900 3.635 3.546 3.721 . 0 0 "[ . 1 . 2]" 1 1756 1 36 THR HA 1 37 VAL QG . . 3.370 3.180 3.133 3.241 . 0 0 "[ . 1 . 2]" 1 1757 1 37 VAL H 1 37 VAL QG . . 4.130 2.489 2.413 2.536 . 0 0 "[ . 1 . 2]" 1 1758 1 37 VAL HA 1 46 VAL QG . . 4.010 3.750 3.666 3.941 . 0 0 "[ . 1 . 2]" 1 1759 1 37 VAL HB 1 46 VAL QG . . 3.590 3.239 3.043 3.619 0.029 13 0 "[ . 1 . 2]" 1 1760 1 37 VAL QG 1 38 THR H . . 3.480 2.721 2.615 2.877 . 0 0 "[ . 1 . 2]" 1 1761 1 37 VAL QG 1 38 THR HA . . 4.050 3.424 3.360 3.551 . 0 0 "[ . 1 . 2]" 1 1762 1 37 VAL QG 1 38 THR HB . . 4.890 4.613 4.552 4.714 . 0 0 "[ . 1 . 2]" 1 1763 1 37 VAL QG 1 39 THR H . . 3.310 2.723 2.512 2.965 . 0 0 "[ . 1 . 2]" 1 1764 1 37 VAL QG 1 41 GLU H . . 4.930 5.289 5.222 5.351 0.421 11 0 "[ . 1 . 2]" 1 1765 1 37 VAL QG 1 42 ASP H . . 3.830 4.168 4.078 4.237 0.407 13 0 "[ . 1 . 2]" 1 1766 1 37 VAL QG 1 42 ASP HA . . 4.220 4.246 4.097 4.370 0.150 17 0 "[ . 1 . 2]" 1 1767 1 37 VAL QG 1 42 ASP HB2 . . 3.150 2.794 2.532 3.024 . 0 0 "[ . 1 . 2]" 1 1768 1 37 VAL QG 1 42 ASP HB3 . . 3.040 3.019 2.861 3.163 0.123 16 0 "[ . 1 . 2]" 1 1769 1 37 VAL QG 1 43 ALA H . . 3.080 2.823 2.723 2.880 . 0 0 "[ . 1 . 2]" 1 1770 1 37 VAL QG 1 43 ALA MB . . 2.370 1.963 1.921 2.011 . 0 0 "[ . 1 . 2]" 1 1771 1 37 VAL QG 1 46 VAL H . . 4.450 3.958 3.697 4.238 . 0 0 "[ . 1 . 2]" 1 1772 1 37 VAL QG 1 71 LEU HG . . 3.220 2.620 2.504 2.764 . 0 0 "[ . 1 . 2]" 1 1773 1 38 THR H 1 46 VAL QG . . 5.440 5.087 5.009 5.401 . 0 0 "[ . 1 . 2]" 1 1774 1 38 THR H 1 71 LEU QD . . 4.770 4.718 4.546 4.871 0.101 15 0 "[ . 1 . 2]" 1 1775 1 38 THR HA 1 71 LEU QD . . 3.530 3.579 3.171 3.845 0.315 15 0 "[ . 1 . 2]" 1 1776 1 39 THR H 1 71 LEU QD . . 3.540 3.786 3.574 3.962 0.422 17 0 "[ . 1 . 2]" 1 1777 1 39 THR HA 1 40 LYS QB . . 4.570 4.390 4.315 4.473 . 0 0 "[ . 1 . 2]" 1 1778 1 39 THR HB 1 40 LYS QB . . 5.340 4.268 4.082 4.426 . 0 0 "[ . 1 . 2]" 1 1779 1 39 THR HB 1 71 LEU QD . . 4.220 3.935 3.799 4.015 . 0 0 "[ . 1 . 2]" 1 1780 1 40 LYS H 1 40 LYS QG . . 3.760 2.910 2.039 3.483 . 0 0 "[ . 1 . 2]" 1 1781 1 40 LYS H 1 40 LYS QD . . 4.730 2.856 2.169 3.872 . 0 0 "[ . 1 . 2]" 1 1782 1 40 LYS H 1 40 LYS QE . . 5.200 4.469 4.078 4.913 . 0 0 "[ . 1 . 2]" 1 1783 1 40 LYS H 1 71 LEU QD . . 3.950 2.607 2.505 2.747 . 0 0 "[ . 1 . 2]" 1 1784 1 40 LYS HA 1 40 LYS QG . . 3.510 3.528 3.511 3.543 0.033 1 0 "[ . 1 . 2]" 1 1785 1 40 LYS HA 1 71 LEU QD . . 3.260 2.556 2.257 2.948 . 0 0 "[ . 1 . 2]" 1 1786 1 40 LYS QB 1 40 LYS QG . . 2.370 1.991 1.973 2.018 . 0 0 "[ . 1 . 2]" 1 1787 1 40 LYS QB 1 41 GLU H . . 3.590 3.570 3.533 3.612 0.022 11 0 "[ . 1 . 2]" 1 1788 1 40 LYS QB 1 74 ILE MD . . 3.080 2.086 2.023 2.167 . 0 0 "[ . 1 . 2]" 1 1789 1 40 LYS QD 1 40 LYS QG . . 2.260 2.089 1.987 2.133 . 0 0 "[ . 1 . 2]" 1 1790 1 40 LYS QE 1 40 LYS QG . . 2.960 2.298 2.066 2.912 . 0 0 "[ . 1 . 2]" 1 1791 1 40 LYS QG 1 41 GLU H . . 3.740 2.826 2.613 3.046 . 0 0 "[ . 1 . 2]" 1 1792 1 40 LYS QD 1 40 LYS QE . . 2.340 2.083 2.012 2.131 . 0 0 "[ . 1 . 2]" 1 1793 1 40 LYS QD 1 41 GLU H . . 4.360 2.194 1.857 2.660 . 0 0 "[ . 1 . 2]" 1 1794 1 40 LYS QD 1 41 GLU HG3 . . 4.650 4.429 4.091 4.692 0.042 18 0 "[ . 1 . 2]" 1 1795 1 40 LYS QE 1 41 GLU H . . 4.370 3.794 3.500 4.378 0.008 18 0 "[ . 1 . 2]" 1 1796 1 40 LYS QE 1 41 GLU HA . . 4.700 4.136 3.117 4.713 0.013 9 0 "[ . 1 . 2]" 1 1797 1 41 GLU H 1 71 LEU QD . . 4.560 4.486 4.341 4.693 0.133 8 0 "[ . 1 . 2]" 1 1798 1 41 GLU HG2 1 71 LEU QD . . 5.440 5.482 5.214 5.681 0.241 5 0 "[ . 1 . 2]" 1 1799 1 41 GLU HG3 1 45 ARG QD . . 4.870 4.582 3.970 4.846 . 0 0 "[ . 1 . 2]" 1 1800 1 42 ASP H 1 45 ARG QD . . 4.780 4.705 4.059 4.836 0.056 13 0 "[ . 1 . 2]" 1 1801 1 42 ASP HA 1 45 ARG QB . . 3.490 2.666 2.076 3.545 0.055 16 0 "[ . 1 . 2]" 1 1802 1 42 ASP HA 1 45 ARG QG . . 4.400 3.189 2.117 3.982 . 0 0 "[ . 1 . 2]" 1 1803 1 42 ASP HA 1 45 ARG QD . . 3.770 2.400 1.968 2.723 . 0 0 "[ . 1 . 2]" 1 1804 1 42 ASP HA 1 46 VAL QG . . 4.040 3.516 3.438 3.625 . 0 0 "[ . 1 . 2]" 1 1805 1 42 ASP HB2 1 71 LEU QD . . 4.930 4.903 4.728 5.036 0.106 3 0 "[ . 1 . 2]" 1 1806 1 42 ASP HB3 1 46 VAL QG . . 4.100 3.272 3.139 3.441 . 0 0 "[ . 1 . 2]" 1 1807 1 43 ALA H 1 46 VAL QG . . 4.570 4.144 3.992 4.772 0.202 13 0 "[ . 1 . 2]" 1 1808 1 43 ALA H 1 71 LEU QD . . 4.290 4.307 4.109 4.527 0.237 4 0 "[ . 1 . 2]" 1 1809 1 43 ALA H 1 75 VAL QG . . 5.210 4.198 4.159 4.240 . 0 0 "[ . 1 . 2]" 1 1810 1 43 ALA HA 1 46 VAL QG . . 2.900 2.337 2.090 3.481 0.581 3 3 "[ + .- 1 * . 2]" 1 1811 1 43 ALA HA 1 75 VAL QG . . 3.340 2.119 2.073 2.154 . 0 0 "[ . 1 . 2]" 1 1812 1 43 ALA MB 1 75 VAL QG . . 2.590 1.961 1.944 1.990 . 0 0 "[ . 1 . 2]" 1 1813 1 44 LYS H 1 46 VAL QG . . 5.020 4.494 4.297 5.254 0.234 13 0 "[ . 1 . 2]" 1 1814 1 44 LYS H 1 75 VAL QG . . 4.610 4.342 4.307 4.396 . 0 0 "[ . 1 . 2]" 1 1815 1 44 LYS HA 1 44 LYS QG . . 3.110 2.242 2.203 2.288 . 0 0 "[ . 1 . 2]" 1 1816 1 44 LYS HA 1 44 LYS QD . . 3.560 3.593 3.581 3.606 0.046 11 0 "[ . 1 . 2]" 1 1817 1 44 LYS HA 1 44 LYS QE . . 4.260 4.192 4.122 4.272 0.012 6 0 "[ . 1 . 2]" 1 1818 1 44 LYS HA 1 48 GLU QG . . 5.340 4.611 4.382 4.676 . 0 0 "[ . 1 . 2]" 1 1819 1 44 LYS HB2 1 44 LYS QD . . 2.470 2.227 2.190 2.247 . 0 0 "[ . 1 . 2]" 1 1820 1 44 LYS QG 1 45 ARG H . . 4.440 3.580 3.453 3.720 . 0 0 "[ . 1 . 2]" 1 1821 1 44 LYS QG 1 48 GLU H . . 4.310 3.798 3.683 3.874 . 0 0 "[ . 1 . 2]" 1 1822 1 44 LYS QG 1 48 GLU QG . . 3.920 3.589 3.011 3.763 . 0 0 "[ . 1 . 2]" 1 1823 1 44 LYS QG 1 78 ILE MD . . 3.080 2.159 2.112 2.212 . 0 0 "[ . 1 . 2]" 1 1824 1 44 LYS QD 1 78 ILE MD . . 2.890 2.801 2.716 2.879 . 0 0 "[ . 1 . 2]" 1 1825 1 44 LYS QE 1 48 GLU HB3 . . 4.660 3.821 3.693 4.121 . 0 0 "[ . 1 . 2]" 1 1826 1 44 LYS QE 1 78 ILE MG . . 4.280 4.276 4.097 4.308 0.028 19 0 "[ . 1 . 2]" 1 1827 1 44 LYS QE 1 78 ILE HG13 . . 5.170 5.191 5.172 5.205 0.035 11 0 "[ . 1 . 2]" 1 1828 1 44 LYS QE 1 78 ILE MD . . 2.960 2.559 2.520 2.572 . 0 0 "[ . 1 . 2]" 1 1829 1 45 ARG H 1 45 ARG QB . . 2.810 2.169 2.012 2.399 . 0 0 "[ . 1 . 2]" 1 1830 1 45 ARG H 1 45 ARG QG . . 4.110 3.455 2.659 3.944 . 0 0 "[ . 1 . 2]" 1 1831 1 45 ARG H 1 45 ARG QD . . 3.990 3.880 3.437 4.021 0.031 18 0 "[ . 1 . 2]" 1 1832 1 45 ARG H 1 46 VAL QG . . 4.080 4.031 3.862 4.502 0.422 13 0 "[ . 1 . 2]" 1 1833 1 45 ARG HA 1 45 ARG QG . . 3.440 3.013 2.715 3.417 . 0 0 "[ . 1 . 2]" 1 1834 1 45 ARG HA 1 46 VAL QG . . 4.890 4.640 4.583 4.829 . 0 0 "[ . 1 . 2]" 1 1835 1 45 ARG HA 1 48 GLU QG . . 2.910 2.106 1.982 2.247 . 0 0 "[ . 1 . 2]" 1 1836 1 45 ARG QB 1 45 ARG QD . . 2.650 2.067 1.988 2.326 . 0 0 "[ . 1 . 2]" 1 1837 1 45 ARG QB 1 45 ARG HE . . 4.340 3.800 2.103 4.115 . 0 0 "[ . 1 . 2]" 1 1838 1 45 ARG QG 1 46 VAL QG . . 3.100 2.738 2.391 3.077 . 0 0 "[ . 1 . 2]" 1 1839 1 45 ARG QD 1 46 VAL H . . 4.190 3.855 3.543 4.235 0.045 4 0 "[ . 1 . 2]" 1 1840 1 45 ARG QD 1 46 VAL QG . . 4.200 3.460 2.889 4.217 0.017 16 0 "[ . 1 . 2]" 1 1841 1 46 VAL H 1 46 VAL QG . . 2.800 2.078 2.014 2.290 . 0 0 "[ . 1 . 2]" 1 1842 1 46 VAL HA 1 46 VAL QG . . 2.640 2.283 2.080 2.357 . 0 0 "[ . 1 . 2]" 1 1843 1 46 VAL HA 1 48 GLU QG . . 4.660 4.797 4.770 4.827 0.167 13 0 "[ . 1 . 2]" 1 1844 1 46 VAL QG 1 47 ALA H . . 3.290 2.395 2.247 3.032 . 0 0 "[ . 1 . 2]" 1 1845 1 46 VAL QG 1 49 GLU H . . 4.820 4.583 4.419 4.648 . 0 0 "[ . 1 . 2]" 1 1846 1 46 VAL QG 1 49 GLU HB2 . . 5.050 4.439 4.119 4.699 . 0 0 "[ . 1 . 2]" 1 1847 1 46 VAL QG 1 50 ALA H . . 5.040 4.601 4.098 4.710 . 0 0 "[ . 1 . 2]" 1 1848 1 47 ALA H 1 48 GLU QG . . 4.710 4.236 4.095 4.388 . 0 0 "[ . 1 . 2]" 1 1849 1 47 ALA H 1 75 VAL QG . . 3.630 3.069 2.992 3.146 . 0 0 "[ . 1 . 2]" 1 1850 1 47 ALA HA 1 48 GLU QG . . 5.340 5.360 5.340 5.388 0.048 17 0 "[ . 1 . 2]" 1 1851 1 47 ALA MB 1 48 GLU QG . . 4.680 4.369 4.318 4.421 . 0 0 "[ . 1 . 2]" 1 1852 1 48 GLU H 1 48 GLU QG . . 3.150 2.470 2.395 2.626 . 0 0 "[ . 1 . 2]" 1 1853 1 48 GLU H 1 75 VAL QG . . 5.250 4.783 4.738 4.819 . 0 0 "[ . 1 . 2]" 1 1854 1 48 GLU HA 1 48 GLU QG . . 3.410 3.308 3.268 3.417 0.007 6 0 "[ . 1 . 2]" 1 1855 1 48 GLU QG 1 49 GLU H . . 4.100 2.589 2.301 2.668 . 0 0 "[ . 1 . 2]" 1 1856 1 48 GLU QG 1 49 GLU HA . . 4.330 3.646 3.352 3.934 . 0 0 "[ . 1 . 2]" 1 1857 1 48 GLU QG 1 49 GLU HB2 . . 3.840 3.664 3.477 3.763 . 0 0 "[ . 1 . 2]" 1 1858 1 48 GLU QG 1 50 ALA H . . 5.340 4.799 4.702 4.847 . 0 0 "[ . 1 . 2]" 1 1859 1 48 GLU QG 1 51 GLU H . . 5.340 5.343 4.993 5.387 0.047 6 0 "[ . 1 . 2]" 1 1860 1 48 GLU QG 1 52 ARG QG . . 4.710 4.236 3.794 4.739 0.029 6 0 "[ . 1 . 2]" 1 1861 1 48 GLU QG 1 78 ILE MG . . 4.890 4.461 4.358 4.567 . 0 0 "[ . 1 . 2]" 1 1862 1 48 GLU QG 1 78 ILE MD . . 5.250 4.385 4.238 4.464 . 0 0 "[ . 1 . 2]" 1 1863 1 49 GLU H 1 49 GLU QG . . 4.510 3.981 3.926 4.135 . 0 0 "[ . 1 . 2]" 1 1864 1 49 GLU H 1 52 ARG QG . . 4.220 4.257 4.119 4.290 0.070 1 0 "[ . 1 . 2]" 1 1865 1 49 GLU H 1 52 ARG QD . . 5.340 5.319 5.199 5.404 0.064 2 0 "[ . 1 . 2]" 1 1866 1 49 GLU HA 1 49 GLU QG . . 3.380 2.295 2.196 2.793 . 0 0 "[ . 1 . 2]" 1 1867 1 49 GLU HA 1 52 ARG QD . . 3.860 3.824 3.666 3.910 0.050 15 0 "[ . 1 . 2]" 1 1868 1 49 GLU HA 1 53 ARG QD . . 5.070 4.181 3.900 4.932 . 0 0 "[ . 1 . 2]" 1 1869 1 49 GLU HB2 1 53 ARG QD . . 5.180 4.886 4.613 5.218 0.038 6 0 "[ . 1 . 2]" 1 1870 1 49 GLU HB3 1 53 ARG QD . . 4.000 3.655 3.353 3.979 . 0 0 "[ . 1 . 2]" 1 1871 1 49 GLU QG 1 50 ALA H . . 4.770 4.030 3.677 4.367 . 0 0 "[ . 1 . 2]" 1 1872 1 49 GLU QG 1 52 ARG H . . 5.340 4.630 4.516 5.119 . 0 0 "[ . 1 . 2]" 1 1873 1 49 GLU QG 1 53 ARG QD . . 3.750 2.827 2.219 3.830 0.080 17 0 "[ . 1 . 2]" 1 1874 1 50 ALA H 1 53 ARG QD . . 4.210 4.029 3.802 4.210 . 0 0 "[ . 1 . 2]" 1 1875 1 50 ALA HA 1 53 ARG QD . . 4.640 2.339 2.199 2.494 . 0 0 "[ . 1 . 2]" 1 1876 1 50 ALA MB 1 51 GLU QG . . 5.150 4.419 4.226 4.744 . 0 0 "[ . 1 . 2]" 1 1877 1 50 ALA MB 1 53 ARG QD . . 4.290 3.665 3.520 3.805 . 0 0 "[ . 1 . 2]" 1 1878 1 51 GLU H 1 51 GLU QG . . 3.570 2.356 2.198 2.831 . 0 0 "[ . 1 . 2]" 1 1879 1 51 GLU H 1 52 ARG QG . . 3.600 3.667 3.583 3.723 0.123 17 0 "[ . 1 . 2]" 1 1880 1 51 GLU H 1 52 ARG QD . . 4.960 4.410 4.153 5.047 0.087 7 0 "[ . 1 . 2]" 1 1881 1 51 GLU HB2 1 51 GLU QG . . 2.620 2.475 2.377 2.567 . 0 0 "[ . 1 . 2]" 1 1882 1 51 GLU QG 1 52 ARG H . . 4.020 2.801 2.518 3.063 . 0 0 "[ . 1 . 2]" 1 1883 1 51 GLU QG 1 52 ARG QD . . 4.420 2.445 2.127 3.065 . 0 0 "[ . 1 . 2]" 1 1884 1 51 GLU QG 1 78 ILE MG . . 4.390 3.447 2.746 3.676 . 0 0 "[ . 1 . 2]" 1 1885 1 51 GLU QG 1 78 ILE MD . . 5.340 5.193 4.664 5.356 0.016 19 0 "[ . 1 . 2]" 1 1886 1 51 GLU QG 1 79 ILE MD . . 4.550 3.617 3.127 3.970 . 0 0 "[ . 1 . 2]" 1 1887 1 51 GLU QG 1 82 ALA MB . . 3.980 3.748 3.455 3.958 . 0 0 "[ . 1 . 2]" 1 1888 1 52 ARG H 1 52 ARG QG . . 3.440 2.096 1.987 2.178 . 0 0 "[ . 1 . 2]" 1 1889 1 52 ARG H 1 52 ARG QD . . 3.760 3.072 2.853 3.800 0.040 7 0 "[ . 1 . 2]" 1 1890 1 52 ARG H 1 53 ARG QD . . 4.770 4.066 3.605 4.781 0.011 6 0 "[ . 1 . 2]" 1 1891 1 52 ARG HA 1 52 ARG QG . . 3.270 3.176 3.114 3.257 . 0 0 "[ . 1 . 2]" 1 1892 1 52 ARG HA 1 52 ARG QD . . 3.210 2.426 2.231 3.269 0.059 7 0 "[ . 1 . 2]" 1 1893 1 52 ARG HB2 1 52 ARG QG . . 2.520 2.149 2.131 2.172 . 0 0 "[ . 1 . 2]" 1 1894 1 52 ARG QD 1 52 ARG QG . . 2.340 2.029 1.953 2.090 . 0 0 "[ . 1 . 2]" 1 1895 1 52 ARG QD 1 53 ARG H . . 5.340 4.695 4.540 5.316 . 0 0 "[ . 1 . 2]" 1 1896 1 53 ARG H 1 53 ARG QD . . 3.830 2.865 2.362 3.675 . 0 0 "[ . 1 . 2]" 1 1897 1 53 ARG QD 1 53 ARG HG2 . . 2.540 2.213 2.190 2.330 . 0 0 "[ . 1 . 2]" 1 1898 1 53 ARG QD 1 54 ASN H . . 4.620 4.401 4.166 4.667 0.047 6 0 "[ . 1 . 2]" 1 1899 1 57 ILE MG 1 85 LYS QD . . 3.200 2.499 2.342 2.961 . 0 0 "[ . 1 . 2]" 1 1900 1 57 ILE MG 1 85 LYS QE . . 4.620 4.115 3.740 4.425 . 0 0 "[ . 1 . 2]" 1 1901 1 57 ILE MD 1 85 LYS QD . . 3.620 3.354 3.127 3.630 0.010 4 0 "[ . 1 . 2]" 1 1902 1 59 VAL H 1 60 ILE QG . . 5.060 5.012 4.906 5.064 0.004 11 0 "[ . 1 . 2]" 1 1903 1 59 VAL QG 1 87 ILE H . . 4.440 4.135 4.103 4.176 . 0 0 "[ . 1 . 2]" 1 1904 1 59 VAL QG 1 87 ILE HG12 . . 3.040 2.540 2.156 2.606 . 0 0 "[ . 1 . 2]" 1 1905 1 59 VAL QG 1 88 GLU HA . . 4.400 4.564 4.391 4.689 0.289 3 0 "[ . 1 . 2]" 1 1906 1 60 ILE H 1 60 ILE QG . . 3.150 2.157 2.104 2.313 . 0 0 "[ . 1 . 2]" 1 1907 1 60 ILE H 1 76 LYS QE . . 5.340 5.370 5.351 5.411 0.071 11 0 "[ . 1 . 2]" 1 1908 1 60 ILE H 1 88 GLU QG . . 4.520 4.227 4.122 4.332 . 0 0 "[ . 1 . 2]" 1 1909 1 60 ILE HA 1 60 ILE QG . . 3.640 3.189 3.173 3.206 . 0 0 "[ . 1 . 2]" 1 1910 1 60 ILE HB 1 88 GLU QG . . 3.650 2.304 2.176 2.495 . 0 0 "[ . 1 . 2]" 1 1911 1 60 ILE MG 1 62 GLY QA . . 4.070 3.876 3.699 3.987 . 0 0 "[ . 1 . 2]" 1 1912 1 60 ILE MG 1 88 GLU QG . . 3.780 2.792 2.721 2.933 . 0 0 "[ . 1 . 2]" 1 1913 1 60 ILE QG 1 61 VAL H . . 4.890 4.818 4.770 4.943 0.053 7 0 "[ . 1 . 2]" 1 1914 1 60 ILE QG 1 76 LYS HA . . 5.120 3.874 3.725 3.984 . 0 0 "[ . 1 . 2]" 1 1915 1 60 ILE QG 1 76 LYS HB2 . . 4.030 2.653 2.538 2.725 . 0 0 "[ . 1 . 2]" 1 1916 1 60 ILE QG 1 76 LYS QE . . 3.620 3.196 3.096 3.304 . 0 0 "[ . 1 . 2]" 1 1917 1 60 ILE QG 1 86 THR HA . . 4.830 3.911 3.873 3.962 . 0 0 "[ . 1 . 2]" 1 1918 1 60 ILE QG 1 86 THR HB . . 3.880 3.985 3.963 4.004 0.124 13 0 "[ . 1 . 2]" 1 1919 1 60 ILE QG 1 86 THR MG . . 4.150 2.092 2.014 2.133 . 0 0 "[ . 1 . 2]" 1 1920 1 60 ILE QG 1 87 ILE H . . 4.420 2.902 2.868 2.952 . 0 0 "[ . 1 . 2]" 1 1921 1 60 ILE QG 1 88 GLU HA . . 4.730 3.805 3.730 3.859 . 0 0 "[ . 1 . 2]" 1 1922 1 60 ILE QG 1 88 GLU QG . . 3.860 2.925 2.850 3.049 . 0 0 "[ . 1 . 2]" 1 1923 1 60 ILE MD 1 76 LYS QE . . 4.750 4.447 4.348 4.540 . 0 0 "[ . 1 . 2]" 1 1924 1 61 VAL HA 1 61 VAL QG . . 2.950 2.143 2.118 2.170 . 0 0 "[ . 1 . 2]" 1 1925 1 61 VAL QG 1 62 GLY H . . 4.760 2.817 2.602 3.229 . 0 0 "[ . 1 . 2]" 1 1926 1 62 GLY QA 1 63 PRO HB3 . . 5.020 4.656 4.523 5.061 0.041 10 0 "[ . 1 . 2]" 1 1927 1 62 GLY QA 1 63 PRO QG . . 4.130 3.765 3.559 3.825 . 0 0 "[ . 1 . 2]" 1 1928 1 62 GLY QA 1 72 ALA MB . . 3.600 3.313 3.141 3.405 . 0 0 "[ . 1 . 2]" 1 1929 1 62 GLY QA 1 90 THR MG . . 5.340 4.108 3.642 4.482 . 0 0 "[ . 1 . 2]" 1 1930 1 62 GLY QA 1 91 THR H . . 5.340 5.110 4.528 5.370 0.030 13 0 "[ . 1 . 2]" 1 1931 1 62 GLY QA 1 91 THR MG . . 5.340 4.266 3.704 5.031 . 0 0 "[ . 1 . 2]" 1 1932 1 63 PRO HB2 1 64 SER QB . . 4.030 3.546 3.324 3.802 . 0 0 "[ . 1 . 2]" 1 1933 1 63 PRO HB2 1 69 SER QB . . 5.340 4.788 3.910 5.376 0.036 6 0 "[ . 1 . 2]" 1 1934 1 63 PRO QG 1 64 SER H . . 3.750 2.049 1.791 3.577 . 0 0 "[ . 1 . 2]" 1 1935 1 63 PRO QG 1 69 SER HA . . 4.400 3.977 3.401 4.407 0.007 12 0 "[ . 1 . 2]" 1 1936 1 63 PRO QG 1 69 SER QB . . 4.360 2.740 2.184 4.355 . 0 0 "[ . 1 . 2]" 1 1937 1 63 PRO HD2 1 69 SER QB . . 4.120 2.719 2.135 3.663 . 0 0 "[ . 1 . 2]" 1 1938 1 64 SER H 1 64 SER QB . . 3.160 3.113 2.881 3.242 0.082 14 0 "[ . 1 . 2]" 1 1939 1 64 SER QB 1 90 THR MG . . 3.370 3.353 3.083 3.415 0.045 18 0 "[ . 1 . 2]" 1 1940 1 66 SER HA 1 66 SER QB . . 2.580 2.354 2.163 2.521 . 0 0 "[ . 1 . 2]" 1 1941 1 66 SER QB 1 67 GLY H . . 3.480 3.277 2.580 3.522 0.042 13 0 "[ . 1 . 2]" 1 1942 1 67 GLY QA 1 68 LYS HA . . 4.310 4.107 3.823 4.324 0.014 17 0 "[ . 1 . 2]" 1 1943 1 67 GLY QA 1 68 LYS QB . . 4.710 3.997 3.676 4.424 . 0 0 "[ . 1 . 2]" 1 1944 1 67 GLY QA 1 68 LYS QD . . 4.930 4.195 3.100 5.099 0.169 11 0 "[ . 1 . 2]" 1 1945 1 67 GLY QA 1 69 SER H . . 4.480 3.775 3.034 4.511 0.031 11 0 "[ . 1 . 2]" 1 1946 1 68 LYS H 1 68 LYS QB . . 3.470 2.706 2.106 3.512 0.042 17 0 "[ . 1 . 2]" 1 1947 1 68 LYS H 1 68 LYS QG . . 3.920 3.239 2.036 3.945 0.025 11 0 "[ . 1 . 2]" 1 1948 1 68 LYS H 1 68 LYS QD . . 4.330 2.818 2.001 4.261 . 0 0 "[ . 1 . 2]" 1 1949 1 68 LYS HA 1 68 LYS QG . . 3.440 3.457 3.225 3.499 0.059 13 0 "[ . 1 . 2]" 1 1950 1 68 LYS QB 1 68 LYS QG . . 2.240 1.998 1.964 2.040 . 0 0 "[ . 1 . 2]" 1 1951 1 68 LYS QB 1 69 SER H . . 4.090 3.718 2.234 4.013 . 0 0 "[ . 1 . 2]" 1 1952 1 68 LYS QD 1 68 LYS QG . . 2.330 2.084 1.946 2.126 . 0 0 "[ . 1 . 2]" 1 1953 1 68 LYS QG 1 69 SER H . . 4.290 3.365 1.995 4.101 . 0 0 "[ . 1 . 2]" 1 1954 1 68 LYS QG 1 69 SER HA . . 3.990 3.798 3.109 4.052 0.062 20 0 "[ . 1 . 2]" 1 1955 1 68 LYS QG 1 70 THR H . . 5.060 4.836 4.450 5.114 0.054 1 0 "[ . 1 . 2]" 1 1956 1 68 LYS QD 1 69 SER H . . 3.860 2.683 2.082 3.918 0.058 11 0 "[ . 1 . 2]" 1 1957 1 68 LYS QD 1 69 SER HA . . 4.320 3.333 2.501 4.336 0.016 15 0 "[ . 1 . 2]" 1 1958 1 68 LYS QD 1 70 THR H . . 4.570 4.394 3.163 4.645 0.075 18 0 "[ . 1 . 2]" 1 1959 1 68 LYS QE 1 69 SER QB . . 4.990 4.436 3.794 5.038 0.048 6 0 "[ . 1 . 2]" 1 1960 1 69 SER H 1 69 SER QB . . 3.710 2.626 2.224 3.131 . 0 0 "[ . 1 . 2]" 1 1961 1 69 SER HA 1 71 LEU QD . . 3.620 2.963 2.307 3.595 . 0 0 "[ . 1 . 2]" 1 1962 1 69 SER QB 1 71 LEU QD . . 5.280 4.264 3.383 4.782 . 0 0 "[ . 1 . 2]" 1 1963 1 69 SER QB 1 72 ALA MB . . 3.100 2.878 2.444 3.119 0.019 5 0 "[ . 1 . 2]" 1 1964 1 70 THR H 1 71 LEU QD . . 4.690 3.126 2.859 3.330 . 0 0 "[ . 1 . 2]" 1 1965 1 70 THR HA 1 71 LEU QD . . 4.700 4.125 4.055 4.185 . 0 0 "[ . 1 . 2]" 1 1966 1 70 THR HA 1 73 LYS QB . . 4.130 3.864 2.233 4.182 0.052 12 0 "[ . 1 . 2]" 1 1967 1 70 THR HA 1 73 LYS QG . . 3.940 2.346 2.075 4.008 0.068 14 0 "[ . 1 . 2]" 1 1968 1 70 THR HA 1 73 LYS QD . . 3.170 3.159 2.961 3.198 0.028 8 0 "[ . 1 . 2]" 1 1969 1 70 THR HA 1 73 LYS QE . . 4.670 4.120 3.724 4.383 . 0 0 "[ . 1 . 2]" 1 1970 1 70 THR HB 1 71 LEU QD . . 3.420 2.352 2.204 2.469 . 0 0 "[ . 1 . 2]" 1 1971 1 70 THR HB 1 73 LYS QE . . 5.340 5.238 4.650 5.376 0.036 1 0 "[ . 1 . 2]" 1 1972 1 70 THR MG 1 73 LYS QD . . 3.180 2.441 2.342 2.609 . 0 0 "[ . 1 . 2]" 1 1973 1 70 THR MG 1 73 LYS QE . . 3.830 2.761 2.137 2.911 . 0 0 "[ . 1 . 2]" 1 1974 1 71 LEU H 1 71 LEU QD . . 3.350 1.669 1.613 1.734 . 0 0 "[ . 1 . 2]" 1 1975 1 71 LEU HA 1 71 LEU QD . . 2.940 2.367 2.234 2.531 . 0 0 "[ . 1 . 2]" 1 1976 1 71 LEU HA 1 74 ILE QG . . 4.400 3.439 3.040 3.620 . 0 0 "[ . 1 . 2]" 1 1977 1 71 LEU HB2 1 71 LEU QD . . 3.100 2.212 2.183 2.227 . 0 0 "[ . 1 . 2]" 1 1978 1 71 LEU QD 1 72 ALA H . . 3.640 3.387 3.144 3.584 . 0 0 "[ . 1 . 2]" 1 1979 1 71 LEU QD 1 74 ILE HB . . 3.650 3.981 3.728 4.241 0.591 8 4 "[ **- + 1 . 2]" 1 1980 1 72 ALA MB 1 76 LYS QE . . 4.230 4.175 4.073 4.240 0.010 3 0 "[ . 1 . 2]" 1 1981 1 72 ALA MB 1 88 GLU QG . . 3.340 2.575 2.290 2.919 . 0 0 "[ . 1 . 2]" 1 1982 1 73 LYS H 1 73 LYS QG . . 3.430 2.581 2.262 3.578 0.148 14 0 "[ . 1 . 2]" 1 1983 1 73 LYS H 1 73 LYS QD . . 4.420 4.361 4.306 4.462 0.042 14 0 "[ . 1 . 2]" 1 1984 1 73 LYS H 1 73 LYS QE . . 5.020 4.526 3.882 5.070 0.050 15 0 "[ . 1 . 2]" 1 1985 1 73 LYS H 1 76 LYS QE . . 5.340 5.157 4.859 5.280 . 0 0 "[ . 1 . 2]" 1 1986 1 73 LYS HA 1 73 LYS QB . . 2.510 2.146 2.094 2.498 . 0 0 "[ . 1 . 2]" 1 1987 1 73 LYS HA 1 73 LYS QE . . 5.040 4.104 3.694 4.993 . 0 0 "[ . 1 . 2]" 1 1988 1 73 LYS HA 1 76 LYS QE . . 3.910 3.259 2.766 3.593 . 0 0 "[ . 1 . 2]" 1 1989 1 73 LYS QD 1 73 LYS QG . . 2.360 2.032 1.988 2.086 . 0 0 "[ . 1 . 2]" 1 1990 1 73 LYS QG 1 74 ILE H . . 3.720 2.549 2.352 3.846 0.126 14 0 "[ . 1 . 2]" 1 1991 1 73 LYS QE 1 74 ILE H . . 4.390 3.505 2.674 3.903 . 0 0 "[ . 1 . 2]" 1 1992 1 73 LYS QE 1 74 ILE HA . . 3.280 3.269 2.832 3.408 0.128 16 0 "[ . 1 . 2]" 1 1993 1 73 LYS QE 1 74 ILE MG . . 4.760 4.623 4.267 4.741 . 0 0 "[ . 1 . 2]" 1 1994 1 73 LYS QE 1 74 ILE QG . . 4.840 2.613 2.046 2.744 . 0 0 "[ . 1 . 2]" 1 1995 1 73 LYS QE 1 74 ILE MD . . 4.060 3.963 3.471 4.080 0.020 3 0 "[ . 1 . 2]" 1 1996 1 74 ILE H 1 74 ILE QG . . 3.090 2.368 2.238 2.441 . 0 0 "[ . 1 . 2]" 1 1997 1 74 ILE H 1 75 VAL QG . . 4.600 4.372 4.325 4.465 . 0 0 "[ . 1 . 2]" 1 1998 1 74 ILE HA 1 74 ILE QG . . 2.960 2.367 2.331 2.385 . 0 0 "[ . 1 . 2]" 1 1999 1 74 ILE HA 1 77 LYS QB . . 3.280 2.658 2.488 2.840 . 0 0 "[ . 1 . 2]" 1 2000 1 74 ILE QG 1 74 ILE MG . . 2.810 2.277 2.250 2.330 . 0 0 "[ . 1 . 2]" 1 2001 1 74 ILE QG 1 75 VAL H . . 4.810 4.273 4.206 4.323 . 0 0 "[ . 1 . 2]" 1 2002 1 75 VAL H 1 75 VAL QG . . 3.160 2.168 2.126 2.211 . 0 0 "[ . 1 . 2]" 1 2003 1 75 VAL HA 1 75 VAL QG . . 2.690 2.205 2.178 2.228 . 0 0 "[ . 1 . 2]" 1 2004 1 75 VAL QG 1 77 LYS H . . 4.770 4.613 4.559 4.650 . 0 0 "[ . 1 . 2]" 1 2005 1 75 VAL QG 1 79 ILE H . . 4.370 3.917 3.858 3.949 . 0 0 "[ . 1 . 2]" 1 2006 1 76 LYS H 1 76 LYS QE . . 4.540 4.210 4.124 4.272 . 0 0 "[ . 1 . 2]" 1 2007 1 76 LYS HA 1 76 LYS QG . . 3.270 2.497 2.460 2.529 . 0 0 "[ . 1 . 2]" 1 2008 1 76 LYS HA 1 76 LYS QD . . 3.830 3.638 3.552 3.839 0.009 11 0 "[ . 1 . 2]" 1 2009 1 76 LYS HA 1 76 LYS QE . . 4.680 4.301 4.206 4.350 . 0 0 "[ . 1 . 2]" 1 2010 1 76 LYS HB2 1 76 LYS QE . . 3.500 2.171 2.114 2.248 . 0 0 "[ . 1 . 2]" 1 2011 1 76 LYS QE 1 76 LYS QG . . 3.280 2.900 2.601 2.946 . 0 0 "[ . 1 . 2]" 1 2012 1 76 LYS QG 1 86 THR HB . . 4.100 2.225 2.176 2.254 . 0 0 "[ . 1 . 2]" 1 2013 1 76 LYS QG 1 86 THR MG . . 3.570 2.968 2.883 3.048 . 0 0 "[ . 1 . 2]" 1 2014 1 76 LYS QD 1 76 LYS QE . . 2.360 1.997 1.985 2.085 . 0 0 "[ . 1 . 2]" 1 2015 1 76 LYS QD 1 86 THR MG . . 3.750 2.613 2.447 2.935 . 0 0 "[ . 1 . 2]" 1 2016 1 76 LYS QD 1 87 ILE HA . . 4.230 3.290 3.138 3.502 . 0 0 "[ . 1 . 2]" 1 2017 1 76 LYS QD 1 88 GLU QG . . 3.840 3.480 3.323 3.765 . 0 0 "[ . 1 . 2]" 1 2018 1 76 LYS QE 1 86 THR HB . . 4.920 3.904 3.784 3.974 . 0 0 "[ . 1 . 2]" 1 2019 1 76 LYS QE 1 86 THR MG . . 4.090 3.480 3.324 3.574 . 0 0 "[ . 1 . 2]" 1 2020 1 76 LYS QE 1 87 ILE HA . . 4.420 3.302 3.130 3.969 . 0 0 "[ . 1 . 2]" 1 2021 1 76 LYS QE 1 88 GLU H . . 4.950 3.857 3.570 4.685 . 0 0 "[ . 1 . 2]" 1 2022 1 76 LYS QE 1 88 GLU QG . . 3.830 1.980 1.929 2.097 . 0 0 "[ . 1 . 2]" 1 2023 1 77 LYS H 1 77 LYS QB . . 2.820 2.321 1.994 2.386 . 0 0 "[ . 1 . 2]" 1 2024 1 77 LYS H 1 77 LYS QG . . 3.410 2.773 2.592 3.630 0.220 1 0 "[ . 1 . 2]" 1 2025 1 77 LYS HA 1 77 LYS QG . . 3.100 2.818 2.679 3.147 0.047 1 0 "[ . 1 . 2]" 1 2026 1 77 LYS HA 1 77 LYS QD . . 3.510 2.197 2.087 2.707 . 0 0 "[ . 1 . 2]" 1 2027 1 77 LYS HA 1 77 LYS QE . . 4.330 3.529 1.952 4.256 . 0 0 "[ . 1 . 2]" 1 2028 1 77 LYS QB 1 78 ILE HG13 . . 4.210 4.108 3.991 4.224 0.014 1 0 "[ . 1 . 2]" 1 2029 1 77 LYS QE 1 77 LYS QG . . 2.840 2.286 2.107 2.514 . 0 0 "[ . 1 . 2]" 1 2030 1 78 ILE HA 1 81 ARG QD . . 3.390 2.823 2.256 3.103 . 0 0 "[ . 1 . 2]" 1 2031 1 78 ILE HB 1 81 ARG QD . . 5.330 5.127 4.659 5.341 0.011 4 0 "[ . 1 . 2]" 1 2032 1 78 ILE MG 1 81 ARG QD . . 4.010 3.381 2.913 4.000 . 0 0 "[ . 1 . 2]" 1 2033 1 78 ILE MD 1 81 ARG QD . . 5.340 4.787 4.371 5.298 . 0 0 "[ . 1 . 2]" 1 2034 1 79 ILE MG 1 81 ARG QD . . 5.340 5.374 5.340 5.441 0.101 18 0 "[ . 1 . 2]" 1 2035 1 81 ARG H 1 81 ARG QB . . 2.830 2.645 2.514 2.710 . 0 0 "[ . 1 . 2]" 1 2036 1 81 ARG H 1 81 ARG QG . . 3.320 2.683 1.829 3.423 0.103 8 0 "[ . 1 . 2]" 1 2037 1 81 ARG H 1 81 ARG QD . . 3.500 2.672 1.823 3.557 0.057 15 0 "[ . 1 . 2]" 1 2038 1 81 ARG HA 1 81 ARG QG . . 3.490 3.416 3.358 3.453 . 0 0 "[ . 1 . 2]" 1 2039 1 81 ARG HA 1 81 ARG QD . . 4.030 3.928 3.750 4.034 0.004 1 0 "[ . 1 . 2]" 1 2040 1 81 ARG QB 1 81 ARG QG . . 2.310 2.025 2.012 2.038 . 0 0 "[ . 1 . 2]" 1 2041 1 81 ARG QB 1 81 ARG QD . . 2.880 2.581 2.307 2.802 . 0 0 "[ . 1 . 2]" 1 2042 1 81 ARG QB 1 82 ALA H . . 4.000 3.750 3.654 3.877 . 0 0 "[ . 1 . 2]" 1 2043 1 81 ARG QB 1 83 GLY H . . 5.340 4.903 4.741 5.009 . 0 0 "[ . 1 . 2]" 1 2044 1 81 ARG QG 1 82 ALA H . . 3.540 2.828 2.469 3.189 . 0 0 "[ . 1 . 2]" 1 2045 1 81 ARG QG 1 82 ALA HA . . 4.220 3.776 3.212 4.279 0.059 6 0 "[ . 1 . 2]" 1 2046 1 81 ARG QG 1 83 GLY H . . 4.740 4.809 4.778 4.823 0.083 4 0 "[ . 1 . 2]" 1 2047 1 81 ARG QD 1 82 ALA H . . 4.480 2.705 2.604 3.097 . 0 0 "[ . 1 . 2]" 1 2048 1 81 ARG QD 1 82 ALA HA . . 4.550 3.617 2.576 4.544 . 0 0 "[ . 1 . 2]" 1 2049 1 81 ARG QD 1 82 ALA MB . . 4.310 3.352 2.845 3.821 . 0 0 "[ . 1 . 2]" 1 2050 1 85 LYS H 1 85 LYS QD . . 4.480 4.060 3.801 4.193 . 0 0 "[ . 1 . 2]" 1 2051 1 85 LYS QD 1 102 ALA MB . . 3.360 2.279 2.086 2.771 . 0 0 "[ . 1 . 2]" 1 2052 1 85 LYS QD 1 106 TRP HB2 . . 4.020 2.235 2.075 2.341 . 0 0 "[ . 1 . 2]" 1 2053 1 85 LYS QD 1 106 TRP HB3 . . 4.350 3.805 3.619 3.966 . 0 0 "[ . 1 . 2]" 1 2054 1 85 LYS QD 1 106 TRP HD1 . . 4.700 2.065 2.003 2.208 . 0 0 "[ . 1 . 2]" 1 2055 1 85 LYS QD 1 106 TRP HE1 . . 4.310 4.333 3.979 4.406 0.096 19 0 "[ . 1 . 2]" 1 2056 1 85 LYS QE 1 102 ALA HA . . 4.870 3.519 1.957 4.255 . 0 0 "[ . 1 . 2]" 1 2057 1 85 LYS QE 1 102 ALA MB . . 4.210 3.609 2.133 4.151 . 0 0 "[ . 1 . 2]" 1 2058 1 85 LYS QE 1 106 TRP H . . 4.360 3.737 3.242 4.401 0.041 2 0 "[ . 1 . 2]" 1 2059 1 85 LYS QE 1 106 TRP HA . . 4.690 3.086 2.204 4.712 0.022 16 0 "[ . 1 . 2]" 1 2060 1 85 LYS QE 1 106 TRP HD1 . . 4.470 2.863 2.086 4.352 . 0 0 "[ . 1 . 2]" 1 2061 1 86 THR HB 1 88 GLU QG . . 5.280 5.298 5.231 5.315 0.035 6 0 "[ . 1 . 2]" 1 2062 1 86 THR MG 1 88 GLU QG . . 4.560 4.165 4.037 4.272 . 0 0 "[ . 1 . 2]" 1 2063 1 87 ILE H 1 88 GLU QG . . 5.000 4.777 4.709 4.911 . 0 0 "[ . 1 . 2]" 1 2064 1 87 ILE HA 1 88 GLU QB . . 4.200 4.152 4.077 4.200 0.000 9 0 "[ . 1 . 2]" 1 2065 1 87 ILE HA 1 88 GLU QG . . 4.260 3.826 3.708 3.970 . 0 0 "[ . 1 . 2]" 1 2066 1 87 ILE MG 1 101 LYS QG . . 4.220 3.174 2.608 4.256 0.036 10 0 "[ . 1 . 2]" 1 2067 1 88 GLU H 1 88 GLU QB . . 3.290 2.593 2.532 2.636 . 0 0 "[ . 1 . 2]" 1 2068 1 88 GLU H 1 88 GLU QG . . 3.660 3.369 3.302 3.428 . 0 0 "[ . 1 . 2]" 1 2069 1 88 GLU H 1 89 VAL QG . . 4.170 3.833 3.640 4.052 . 0 0 "[ . 1 . 2]" 1 2070 1 88 GLU HA 1 88 GLU QG . . 3.460 2.315 2.219 2.361 . 0 0 "[ . 1 . 2]" 1 2071 1 88 GLU HA 1 89 VAL QG . . 3.910 3.510 3.389 3.646 . 0 0 "[ . 1 . 2]" 1 2072 1 88 GLU QB 1 89 VAL H . . 4.010 3.752 3.708 3.799 . 0 0 "[ . 1 . 2]" 1 2073 1 89 VAL H 1 89 VAL QG . . 3.110 1.998 1.946 2.071 . 0 0 "[ . 1 . 2]" 1 2074 1 89 VAL H 1 99 VAL QG . . 5.000 4.902 4.841 4.943 . 0 0 "[ . 1 . 2]" 1 2075 1 89 VAL HA 1 99 VAL QG . . 4.420 4.024 3.651 4.270 . 0 0 "[ . 1 . 2]" 1 2076 1 89 VAL QG 1 91 THR H . . 5.090 5.432 4.875 5.943 0.853 15 9 "[* *.* *1 *+* *-]" 1 2077 1 89 VAL QG 1 95 LEU HA . . 3.270 3.458 3.080 3.885 0.615 15 1 "[ . 1 + 2]" 1 2078 1 89 VAL QG 1 98 ALA H . . 4.050 4.205 3.889 4.375 0.325 13 0 "[ . 1 . 2]" 1 2079 1 89 VAL QG 1 98 ALA HA . . 4.080 3.984 3.840 4.133 0.053 11 0 "[ . 1 . 2]" 1 2080 1 89 VAL QG 1 98 ALA MB . . 2.760 2.038 1.969 2.119 . 0 0 "[ . 1 . 2]" 1 2081 1 89 VAL QG 1 99 VAL H . . 4.080 2.728 2.322 2.899 . 0 0 "[ . 1 . 2]" 1 2082 1 89 VAL QG 1 99 VAL HA . . 3.410 2.630 2.389 2.882 . 0 0 "[ . 1 . 2]" 1 2083 1 89 VAL QG 1 99 VAL QG . . 2.480 1.924 1.859 1.978 . 0 0 "[ . 1 . 2]" 1 2084 1 89 VAL QG 1 100 ALA H . . 4.760 4.755 4.483 4.969 0.209 11 0 "[ . 1 . 2]" 1 2085 1 95 LEU HA 1 95 LEU QD . . 2.880 2.760 2.184 3.394 0.514 4 2 "[ +. 1 - . 2]" 1 2086 1 95 LEU QD 1 96 ARG HA . . 3.820 3.196 2.553 4.108 0.288 7 0 "[ . 1 . 2]" 1 2087 1 95 LEU QD 1 99 VAL H . . 3.630 3.957 3.394 5.082 1.452 13 3 "[ *. - 1 + . 2]" 1 2088 1 96 ARG HA 1 96 ARG QD . . 4.240 3.400 2.124 4.271 0.031 20 0 "[ . 1 . 2]" 1 2089 1 96 ARG QB 1 96 ARG QD . . 2.890 2.333 2.114 2.899 0.009 2 0 "[ . 1 . 2]" 1 2090 1 98 ALA HA 1 101 LYS QB . . 3.120 2.591 2.380 2.773 . 0 0 "[ . 1 . 2]" 1 2091 1 99 VAL H 1 99 VAL QG . . 3.090 2.284 1.979 2.360 . 0 0 "[ . 1 . 2]" 1 2092 1 99 VAL H 1 101 LYS QB . . 4.780 4.811 4.789 4.862 0.082 10 0 "[ . 1 . 2]" 1 2093 1 99 VAL HA 1 99 VAL QG . . 2.640 2.207 2.110 2.249 . 0 0 "[ . 1 . 2]" 1 2094 1 99 VAL QG 1 100 ALA H . . 3.480 2.991 2.087 3.128 . 0 0 "[ . 1 . 2]" 1 2095 1 99 VAL QG 1 100 ALA HA . . 3.570 3.307 3.089 4.212 0.642 14 1 "[ . 1 +. 2]" 1 2096 1 99 VAL QG 1 103 ARG H . . 4.060 3.729 3.379 4.493 0.433 2 0 "[ . 1 . 2]" 1 2097 1 99 VAL QG 1 103 ARG QB . . 3.550 2.178 2.051 3.231 . 0 0 "[ . 1 . 2]" 1 2098 1 99 VAL QG 1 103 ARG QD . . 4.530 3.091 2.198 4.132 . 0 0 "[ . 1 . 2]" 1 2099 1 99 VAL QG 1 104 GLY H . . 4.720 3.812 3.544 4.548 . 0 0 "[ . 1 . 2]" 1 2100 1 99 VAL QG 1 104 GLY HA3 . . 5.440 4.687 4.315 5.734 0.294 14 0 "[ . 1 . 2]" 1 2101 1 101 LYS H 1 101 LYS QB . . 2.750 2.117 2.060 2.224 . 0 0 "[ . 1 . 2]" 1 2102 1 101 LYS H 1 101 LYS QD . . 3.830 3.772 3.049 3.889 0.059 1 0 "[ . 1 . 2]" 1 2103 1 101 LYS HA 1 101 LYS QB . . 2.540 2.485 2.436 2.568 0.028 8 0 "[ . 1 . 2]" 1 2104 1 101 LYS HA 1 101 LYS QD . . 2.890 2.168 2.050 2.897 0.007 13 0 "[ . 1 . 2]" 1 2105 1 101 LYS HA 1 101 LYS QE . . 4.550 3.884 1.890 4.242 . 0 0 "[ . 1 . 2]" 1 2106 1 101 LYS QB 1 101 LYS QD . . 2.710 2.363 2.282 2.728 0.018 1 0 "[ . 1 . 2]" 1 2107 1 101 LYS QB 1 102 ALA H . . 3.380 3.013 2.856 3.204 . 0 0 "[ . 1 . 2]" 1 2108 1 101 LYS QE 1 101 LYS QG . . 3.070 2.242 2.105 2.801 . 0 0 "[ . 1 . 2]" 1 2109 1 101 LYS QG 1 102 ALA H . . 4.950 4.376 4.117 4.667 . 0 0 "[ . 1 . 2]" 1 2110 1 102 ALA HA 1 105 SER QB . . 3.540 2.402 2.009 3.571 0.031 16 0 "[ . 1 . 2]" 1 2111 1 103 ARG H 1 103 ARG QB . . 3.070 2.205 2.074 2.333 . 0 0 "[ . 1 . 2]" 1 2112 1 103 ARG HA 1 103 ARG QD . . 3.610 3.281 2.070 3.721 0.111 6 0 "[ . 1 . 2]" 1 2113 1 103 ARG QB 1 103 ARG QD . . 3.210 2.302 2.085 2.767 . 0 0 "[ . 1 . 2]" 1 2114 1 103 ARG QB 1 104 GLY H . . 3.270 2.944 2.704 3.063 . 0 0 "[ . 1 . 2]" 1 2115 1 103 ARG QB 1 104 GLY HA3 . . 4.820 4.698 4.451 4.830 0.010 11 0 "[ . 1 . 2]" 1 2116 1 103 ARG QB 1 105 SER H . . 5.340 5.089 4.957 5.214 . 0 0 "[ . 1 . 2]" 1 2117 1 103 ARG QD 1 104 GLY H . . 5.260 4.763 3.665 5.311 0.051 12 0 "[ . 1 . 2]" 1 2118 1 104 GLY HA3 1 108 LEU QB . . 4.670 4.777 4.727 4.809 0.139 9 0 "[ . 1 . 2]" 1 2119 1 104 GLY HA3 1 108 LEU QD . . 3.940 3.894 3.639 4.519 0.579 5 1 "[ + 1 . 2]" 1 2120 1 105 SER H 1 105 SER QB . . 3.260 2.387 2.174 2.569 . 0 0 "[ . 1 . 2]" 1 2121 1 105 SER H 1 108 LEU QB . . 4.650 4.383 4.308 4.469 . 0 0 "[ . 1 . 2]" 1 2122 1 105 SER H 1 108 LEU QD . . 5.100 4.441 4.148 5.162 0.062 5 0 "[ . 1 . 2]" 1 2123 1 105 SER HA 1 108 LEU QB . . 3.310 2.264 2.164 2.511 . 0 0 "[ . 1 . 2]" 1 2124 1 105 SER HA 1 108 LEU QD . . 3.490 3.167 2.785 3.871 0.381 4 0 "[ . 1 . 2]" 1 2125 1 105 SER QB 1 106 TRP H . . 3.210 2.729 2.525 3.310 0.100 19 0 "[ . 1 . 2]" 1 2126 1 106 TRP HE3 1 107 SER QB . . 4.020 3.369 2.793 3.667 . 0 0 "[ . 1 . 2]" 1 2127 1 106 TRP HZ3 1 107 SER QB . . 4.670 4.365 3.883 4.688 0.018 2 0 "[ . 1 . 2]" 1 2128 1 106 TRP HZ3 1 110 HIS QB . . 4.840 3.559 2.795 4.538 . 0 0 "[ . 1 . 2]" 1 2129 1 107 SER H 1 107 SER QB . . 3.160 2.508 2.336 2.721 . 0 0 "[ . 1 . 2]" 1 2130 1 107 SER H 1 108 LEU QB . . 4.200 4.040 3.916 4.114 . 0 0 "[ . 1 . 2]" 1 2131 1 107 SER H 1 108 LEU QD . . 4.080 4.237 3.852 4.942 0.862 2 2 "[ + . -1 . 2]" 1 2132 1 107 SER HA 1 110 HIS QB . . 4.560 3.777 2.904 4.571 0.011 11 0 "[ . 1 . 2]" 1 2133 1 107 SER HA 1 111 HIS QB . . 4.270 3.767 2.409 4.345 0.075 3 0 "[ . 1 . 2]" 1 2134 1 107 SER QB 1 108 LEU H . . 3.680 3.445 2.950 3.761 0.081 4 0 "[ . 1 . 2]" 1 2135 1 107 SER QB 1 108 LEU QD . . 3.800 3.496 2.757 4.827 1.027 2 2 "[ + . -1 . 2]" 1 2136 1 107 SER QB 1 111 HIS QB . . 4.920 4.006 2.371 4.650 . 0 0 "[ . 1 . 2]" 1 2137 1 108 LEU H 1 108 LEU QB . . 2.690 2.077 1.942 2.197 . 0 0 "[ . 1 . 2]" 1 2138 1 108 LEU H 1 108 LEU QD . . 3.270 3.052 2.759 3.573 0.303 2 0 "[ . 1 . 2]" 1 2139 1 108 LEU H 1 111 HIS QB . . 5.340 4.911 4.492 5.333 . 0 0 "[ . 1 . 2]" 1 2140 1 108 LEU HA 1 108 LEU QD . . 2.740 2.095 1.871 2.283 . 0 0 "[ . 1 . 2]" 1 2141 1 108 LEU HA 1 111 HIS QB . . 4.060 3.611 2.628 4.100 0.040 4 0 "[ . 1 . 2]" 1 2142 1 108 LEU QB 1 108 LEU QD . . 2.740 1.976 1.916 2.084 . 0 0 "[ . 1 . 2]" 1 2143 1 108 LEU QB 1 109 GLU HG2 . . 3.770 3.716 3.527 3.803 0.033 2 0 "[ . 1 . 2]" 1 2144 1 108 LEU QB 1 109 GLU HG3 . . 4.190 4.206 4.087 4.238 0.048 15 0 "[ . 1 . 2]" 1 2145 1 108 LEU QD 1 109 GLU HG2 . . 5.070 5.043 4.908 5.165 0.095 8 0 "[ . 1 . 2]" 1 2146 1 108 LEU QD 1 111 HIS QB . . 4.840 4.215 3.349 4.735 . 0 0 "[ . 1 . 2]" 1 2147 1 109 GLU H 1 110 HIS QB . . 5.340 4.530 4.300 4.715 . 0 0 "[ . 1 . 2]" 1 2148 1 109 GLU H 1 111 HIS QB . . 5.340 4.854 4.266 5.373 0.033 15 0 "[ . 1 . 2]" 1 2149 1 114 HIS HA 1 114 HIS QB . . 2.480 2.337 2.165 2.442 . 0 0 "[ . 1 . 2]" 1 2150 1 114 HIS QB 1 115 HIS H . . 4.360 3.416 2.179 4.084 . 0 0 "[ . 1 . 2]" 1 2151 1 115 HIS H 1 115 HIS QB . . 3.650 2.698 2.201 3.238 . 0 0 "[ . 1 . 2]" 1 stop_ save_ save_distance_constraint_statistics_2 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 2 _Distance_constraint_stats_list.Constraint_count 32 _Distance_constraint_stats_list.Viol_count 221 _Distance_constraint_stats_list.Viol_total 159.121 _Distance_constraint_stats_list.Viol_max 0.101 _Distance_constraint_stats_list.Viol_rms 0.0231 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0124 _Distance_constraint_stats_list.Viol_average_violations_only 0.0360 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details . loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 2 ARG 1.061 0.081 15 0 "[ . 1 . 2]" 1 3 VAL 1.600 0.101 7 0 "[ . 1 . 2]" 1 4 ILE 0.122 0.026 7 0 "[ . 1 . 2]" 1 5 VAL 0.989 0.047 17 0 "[ . 1 . 2]" 1 6 VAL 0.110 0.026 18 0 "[ . 1 . 2]" 1 7 ILE 0.355 0.032 7 0 "[ . 1 . 2]" 1 8 VAL 0.011 0.011 1 0 "[ . 1 . 2]" 1 9 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 33 GLU 1.609 0.101 7 0 "[ . 1 . 2]" 1 35 ARG 1.320 0.047 17 0 "[ . 1 . 2]" 1 37 VAL 0.016 0.008 14 0 "[ . 1 . 2]" 1 57 ILE 1.062 0.081 15 0 "[ . 1 . 2]" 1 58 VAL 3.703 0.096 11 0 "[ . 1 . 2]" 1 59 VAL 0.230 0.026 18 0 "[ . 1 . 2]" 1 60 ILE 0.006 0.006 9 0 "[ . 1 . 2]" 1 61 VAL 0.011 0.011 1 0 "[ . 1 . 2]" 1 85 LYS 1.006 0.039 16 0 "[ . 1 . 2]" 1 87 ILE 2.697 0.096 11 0 "[ . 1 . 2]" 1 89 VAL 0.006 0.006 9 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 2 ARG O 1 57 ILE H . . 2.000 2.053 2.016 2.081 0.081 15 0 "[ . 1 . 2]" 2 2 1 2 ARG O 1 57 ILE N . . 3.000 2.978 2.944 3.006 0.006 15 0 "[ . 1 . 2]" 2 3 1 3 VAL O 1 33 GLU H . . 2.000 2.076 2.043 2.101 0.101 7 0 "[ . 1 . 2]" 2 4 1 3 VAL O 1 33 GLU N . . 3.000 2.986 2.940 3.022 0.022 7 0 "[ . 1 . 2]" 2 5 1 4 ILE O 1 59 VAL H . . 2.000 1.996 1.943 2.026 0.026 7 0 "[ . 1 . 2]" 2 6 1 4 ILE O 1 59 VAL N . . 3.000 2.952 2.912 2.982 . 0 0 "[ . 1 . 2]" 2 7 1 5 VAL O 1 35 ARG H . . 2.000 2.032 2.020 2.047 0.047 17 0 "[ . 1 . 2]" 2 8 1 5 VAL O 1 35 ARG N . . 3.000 3.017 3.007 3.032 0.032 17 0 "[ . 1 . 2]" 2 9 1 6 VAL O 1 61 VAL H . . 2.000 1.795 1.761 1.823 . 0 0 "[ . 1 . 2]" 2 10 1 6 VAL O 1 61 VAL N . . 3.000 2.713 2.700 2.764 . 0 0 "[ . 1 . 2]" 2 11 1 7 ILE O 1 37 VAL H . . 2.000 1.959 1.900 2.008 0.008 14 0 "[ . 1 . 2]" 2 12 1 7 ILE O 1 37 VAL N . . 3.000 2.900 2.859 2.943 . 0 0 "[ . 1 . 2]" 2 13 1 5 VAL H 1 33 GLU O . . 2.000 1.959 1.912 2.008 0.008 12 0 "[ . 1 . 2]" 2 14 1 5 VAL N 1 33 GLU O . . 3.000 2.955 2.910 3.001 0.001 12 0 "[ . 1 . 2]" 2 15 1 7 ILE H 1 35 ARG O . . 2.000 2.017 2.006 2.032 0.032 7 0 "[ . 1 . 2]" 2 16 1 7 ILE N 1 35 ARG O . . 3.000 2.902 2.873 2.925 . 0 0 "[ . 1 . 2]" 2 17 1 9 GLY H 1 37 VAL O . . 2.000 1.841 1.777 1.911 . 0 0 "[ . 1 . 2]" 2 18 1 9 GLY N 1 37 VAL O . . 3.000 2.792 2.750 2.847 . 0 0 "[ . 1 . 2]" 2 19 1 4 ILE H 1 57 ILE O . . 2.000 1.970 1.928 2.001 0.001 12 0 "[ . 1 . 2]" 2 20 1 4 ILE N 1 57 ILE O . . 3.000 2.833 2.809 2.861 . 0 0 "[ . 1 . 2]" 2 21 1 58 VAL O 1 87 ILE H . . 2.000 2.078 2.057 2.096 0.096 11 0 "[ . 1 . 2]" 2 22 1 58 VAL O 1 87 ILE N . . 3.000 3.057 3.038 3.069 0.069 11 0 "[ . 1 . 2]" 2 23 1 6 VAL H 1 59 VAL O . . 2.000 1.976 1.842 2.026 0.026 18 0 "[ . 1 . 2]" 2 24 1 6 VAL N 1 59 VAL O . . 3.000 2.917 2.832 2.954 . 0 0 "[ . 1 . 2]" 2 25 1 60 ILE O 1 89 VAL H . . 2.000 1.956 1.870 2.006 0.006 9 0 "[ . 1 . 2]" 2 26 1 60 ILE O 1 89 VAL N . . 3.000 2.895 2.821 2.935 . 0 0 "[ . 1 . 2]" 2 27 1 8 VAL H 1 61 VAL O . . 2.000 1.928 1.861 2.011 0.011 1 0 "[ . 1 . 2]" 2 28 1 8 VAL N 1 61 VAL O . . 3.000 2.911 2.833 2.980 . 0 0 "[ . 1 . 2]" 2 29 1 58 VAL H 1 85 LYS O . . 2.000 2.021 2.007 2.030 0.030 16 0 "[ . 1 . 2]" 2 30 1 58 VAL N 1 85 LYS O . . 3.000 3.030 3.016 3.039 0.039 16 0 "[ . 1 . 2]" 2 31 1 60 ILE H 1 87 ILE O . . 2.000 1.813 1.784 1.856 . 0 0 "[ . 1 . 2]" 2 32 1 60 ILE N 1 87 ILE O . . 3.000 2.753 2.732 2.779 . 0 0 "[ . 1 . 2]" 2 stop_ save_
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