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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
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382417 |
1jgn ![]() ![]() |
5084 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1jgn 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 1694 _Distance_constraint_stats_list.Viol_count 3362 _Distance_constraint_stats_list.Viol_total 7521.021 _Distance_constraint_stats_list.Viol_max 2.628 _Distance_constraint_stats_list.Viol_rms 0.0374 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0049 _Distance_constraint_stats_list.Viol_average_violations_only 0.0746 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 2 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 3 LEU 0.015 0.009 3 0 "[ . 1 . 2 . 3]" 1 4 GLY 0.015 0.009 3 0 "[ . 1 . 2 . 3]" 1 5 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 6 PRO 1.945 0.338 30 0 "[ . 1 . 2 . 3]" 1 7 LEU 1.985 0.338 30 0 "[ . 1 . 2 . 3]" 1 8 THR 6.699 0.096 26 0 "[ . 1 . 2 . 3]" 1 9 ALA 0.591 0.034 20 0 "[ . 1 . 2 . 3]" 1 10 SER 1.227 0.056 12 0 "[ . 1 . 2 . 3]" 1 11 MET 13.624 0.984 14 7 "[* -. *1 +. * . **3]" 1 12 LEU 1.290 0.061 2 0 "[ . 1 . 2 . 3]" 1 13 ALA 2.215 0.161 4 0 "[ . 1 . 2 . 3]" 1 14 SER 15.822 0.984 14 7 "[* -. *1 +. * . **3]" 1 15 ALA 7.564 0.475 26 0 "[ . 1 . 2 . 3]" 1 18 GLN 3.786 0.451 16 0 "[ . 1 . 2 . 3]" 1 19 GLU 4.220 0.475 26 0 "[ . 1 . 2 . 3]" 1 20 GLN 7.449 0.543 23 1 "[ . 1 . 2 + . 3]" 1 21 LYS 3.731 0.355 18 0 "[ . 1 . 2 . 3]" 1 22 GLN 0.959 0.355 18 0 "[ . 1 . 2 . 3]" 1 23 MET 2.612 0.092 18 0 "[ . 1 . 2 . 3]" 1 24 LEU 4.257 0.100 17 0 "[ . 1 . 2 . 3]" 1 25 GLY 5.414 0.178 30 0 "[ . 1 . 2 . 3]" 1 26 GLU 4.859 0.416 8 0 "[ . 1 . 2 . 3]" 1 27 ARG 9.992 0.560 30 1 "[ . 1 . 2 . +]" 1 28 LEU 13.541 0.383 19 0 "[ . 1 . 2 . 3]" 1 29 PHE 6.363 0.106 23 0 "[ . 1 . 2 . 3]" 1 31 LEU 16.133 0.412 22 0 "[ . 1 . 2 . 3]" 1 32 ILE 8.142 0.129 28 0 "[ . 1 . 2 . 3]" 1 33 GLN 3.323 0.121 21 0 "[ . 1 . 2 . 3]" 1 34 ALA 2.225 0.096 26 0 "[ . 1 . 2 . 3]" 1 35 MET 6.710 0.128 29 0 "[ . 1 . 2 . 3]" 1 36 HIS 3.164 0.139 29 0 "[ . 1 . 2 . 3]" 1 38 THR 1.049 0.139 29 0 "[ . 1 . 2 . 3]" 1 39 LEU 7.343 0.816 28 9 "[* * . * 1 . -* * ** + 3]" 1 40 ALA 11.517 0.816 28 8 "[* * . * 1 . -* ** + 3]" 1 41 GLY 2.176 0.123 13 0 "[ . 1 . 2 . 3]" 1 42 LYS 5.827 0.739 23 2 "[ . 1 . 2 + .- 3]" 1 43 ILE 4.680 0.245 4 0 "[ . 1 . 2 . 3]" 1 44 THR 3.895 0.148 24 0 "[ . 1 . 2 . 3]" 1 45 GLY 11.248 0.571 22 5 "[ . 1 *-*. * 2 + . 3]" 1 46 MET 10.100 0.912 23 2 "[ . 1 . 2- + . 3]" 1 47 LEU 2.408 0.077 21 0 "[ . 1 . 2 . 3]" 1 48 LEU 4.456 0.753 23 1 "[ . 1 . 2 + . 3]" 1 49 GLU 7.299 0.912 23 2 "[ . 1 . 2- + . 3]" 1 50 ILE 8.251 0.560 19 4 "[ - . * 1 . +2* . 3]" 1 51 ASP 2.660 0.062 26 0 "[ . 1 . 2 . 3]" 1 52 ASN 6.902 0.449 8 0 "[ . 1 . 2 . 3]" 1 53 SER 0.567 0.047 11 0 "[ . 1 . 2 . 3]" 1 54 GLU 0.085 0.055 29 0 "[ . 1 . 2 . 3]" 1 55 LEU 15.005 0.560 30 1 "[ . 1 . 2 . +]" 1 56 LEU 2.971 0.098 24 0 "[ . 1 . 2 . 3]" 1 57 HIS 0.918 0.061 1 0 "[ . 1 . 2 . 3]" 1 58 MET 4.889 0.398 29 0 "[ . 1 . 2 . 3]" 1 59 LEU 3.447 0.231 14 0 "[ . 1 . 2 . 3]" 1 60 GLU 2.490 0.094 29 0 "[ . 1 . 2 . 3]" 1 61 SER 3.590 0.568 22 1 "[ . 1 . 2 + . 3]" 1 63 GLU 3.619 0.956 7 3 "[ . + 1 - . 2 . *]" 1 64 SER 6.236 0.588 22 2 "[ . 1 . 2 + . - 3]" 1 65 LEU 9.344 0.588 22 2 "[ . 1 . 2 + . - 3]" 1 66 ARG 1.293 0.132 20 0 "[ . 1 . 2 . 3]" 1 67 SER 0.625 0.040 19 0 "[ . 1 . 2 . 3]" 1 68 LYS 11.324 0.560 19 4 "[ - . * 1 . +2* . 3]" 1 69 VAL 0.849 0.040 19 0 "[ . 1 . 2 . 3]" 1 70 ASP 0.123 0.035 8 0 "[ . 1 . 2 . 3]" 1 71 GLU 13.834 0.688 7 8 "[ * .*+- 1* . ** *. 3]" 1 72 ALA 16.072 0.508 6 1 "[ .+ 1 . 2 . 3]" 1 73 VAL 2.054 0.078 22 0 "[ . 1 . 2 . 3]" 1 74 ALA 1.603 0.089 20 0 "[ . 1 . 2 . 3]" 1 75 VAL 15.689 0.688 7 8 "[ * .*+- 1* . ** *. 3]" 1 76 LEU 1.203 0.127 28 0 "[ . 1 . 2 . 3]" 1 77 GLN 1.303 0.127 28 0 "[ . 1 . 2 . 3]" 1 78 ALA 0.161 0.034 22 0 "[ . 1 . 2 . 3]" 1 79 HIS 2.793 0.628 26 1 "[ . 1 . 2 .+ 3]" 1 80 GLN 3.502 0.763 9 2 "[ . +1 . 2- . 3]" 1 81 ALA 0.315 0.108 24 0 "[ . 1 . 2 . 3]" 1 82 LYS 0.036 0.030 11 0 "[ . 1 . 2 . 3]" 1 83 GLU 3.074 2.628 30 1 "[ . 1 . 2 . +]" 1 84 ALA 0.509 0.209 13 0 "[ . 1 . 2 . 3]" 1 85 ALA 0.198 0.102 28 0 "[ . 1 . 2 . 3]" 1 86 GLN 5.413 2.628 30 3 "[ . - 1 . 2 *. +]" 1 87 LYS 0.470 0.211 19 0 "[ . 1 . 2 . 3]" 1 88 ALA 0.026 0.016 10 0 "[ . 1 . 2 . 3]" 1 89 VAL 5.134 0.435 10 0 "[ . 1 . 2 . 3]" 1 90 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 91 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 92 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 93 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 94 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 95 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 96 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 97 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 98 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 2 1 VAL 0.041 0.032 4 0 "[ . 1 . 2 . 3]" 2 2 VAL 0.309 0.164 4 0 "[ . 1 . 2 . 3]" 2 3 LYS 2.100 0.346 7 0 "[ . 1 . 2 . 3]" 2 4 SER 0.734 0.294 15 0 "[ . 1 . 2 . 3]" 2 5 ASN 0.029 0.018 12 0 "[ . 1 . 2 . 3]" 2 6 LEU 2.594 0.284 12 0 "[ . 1 . 2 . 3]" 2 7 ASN 0.890 0.077 21 0 "[ . 1 . 2 . 3]" 2 8 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 2 9 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 2 10 ALA 0.650 0.056 29 0 "[ . 1 . 2 . 3]" 2 11 LYS 10.987 0.586 21 1 "[ . 1 . 2+ . 3]" 2 12 GLU 2.583 0.348 21 0 "[ . 1 . 2 . 3]" 2 13 PHE 14.847 0.571 22 5 "[ . 1 *-*. * 2 + . 3]" 2 14 VAL 7.293 0.221 24 0 "[ . 1 . 2 . 3]" 2 16 GLY 0.633 0.081 2 0 "[ . 1 . 2 . 3]" 2 17 VAL 3.880 0.790 18 4 "[ * .* 1 . +-2 . 3]" 2 18 LYS 0.510 0.048 18 0 "[ . 1 . 2 . 3]" 2 19 TYR 0.758 0.539 18 1 "[ . 1 . + 2 . 3]" 2 20 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 2 21 ASN 0.527 0.135 22 0 "[ . 1 . 2 . 3]" 2 22 ILE 0.527 0.135 22 0 "[ . 1 . 2 . 3]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 2 PRO HA 1 3 LEU H 2.800 . 3.800 2.778 2.149 3.572 . 0 0 "[ . 1 . 2 . 3]" 1 2 1 2 PRO QB 1 3 LEU H 4.000 . 5.500 3.133 2.082 4.013 . 0 0 "[ . 1 . 2 . 3]" 1 3 1 3 LEU H 1 3 LEU QB 2.700 . 3.600 2.360 2.068 3.013 . 0 0 "[ . 1 . 2 . 3]" 1 4 1 4 GLY H 1 4 GLY QA 2.500 . 3.300 2.266 2.222 2.313 . 0 0 "[ . 1 . 2 . 3]" 1 5 1 5 SER H 1 5 SER HA 2.800 . 3.800 2.895 2.868 2.923 . 0 0 "[ . 1 . 2 . 3]" 1 6 1 5 SER H 1 5 SER HB3 4.000 . 5.500 3.002 2.232 3.677 . 0 0 "[ . 1 . 2 . 3]" 1 7 1 6 PRO HB3 1 7 LEU H 2.800 . 5.500 3.835 2.579 4.577 . 0 0 "[ . 1 . 2 . 3]" 1 8 1 6 PRO HB2 1 7 LEU H 2.700 . 5.500 3.346 1.699 4.317 . 0 0 "[ . 1 . 2 . 3]" 1 9 1 6 PRO HG2 1 7 LEU H 3.200 . 5.500 4.676 2.444 5.838 0.338 30 0 "[ . 1 . 2 . 3]" 1 10 1 8 THR H 1 8 THR HA 2.400 . 3.100 2.892 2.887 2.896 . 0 0 "[ . 1 . 2 . 3]" 1 11 1 8 THR H 1 8 THR MG 2.300 . 3.000 2.116 1.744 2.406 . 0 0 "[ . 1 . 2 . 3]" 1 12 1 9 ALA H 1 9 ALA HA 2.600 . 3.400 2.819 2.808 2.826 . 0 0 "[ . 1 . 2 . 3]" 1 13 1 9 ALA H 1 9 ALA MB 2.200 . 2.800 2.147 2.054 2.233 . 0 0 "[ . 1 . 2 . 3]" 1 14 1 10 SER H 1 10 SER HA 2.700 . 3.600 2.855 2.841 2.869 . 0 0 "[ . 1 . 2 . 3]" 1 15 1 10 SER H 1 10 SER QB 3.100 . 4.300 2.233 2.140 2.285 . 0 0 "[ . 1 . 2 . 3]" 1 16 1 11 MET H 1 11 MET HA 2.500 . 3.300 2.831 2.828 2.835 . 0 0 "[ . 1 . 2 . 3]" 1 17 1 11 MET H 1 11 MET HG3 2.500 . 3.300 2.470 2.391 2.556 . 0 0 "[ . 1 . 2 . 3]" 1 18 1 11 MET H 1 11 MET HG2 3.000 . 4.100 2.635 2.527 2.743 . 0 0 "[ . 1 . 2 . 3]" 1 19 1 11 MET H 1 11 MET HB2 2.500 . 3.300 2.632 2.542 2.684 . 0 0 "[ . 1 . 2 . 3]" 1 20 1 11 MET H 1 11 MET HB3 2.600 . 5.500 3.612 3.600 3.622 . 0 0 "[ . 1 . 2 . 3]" 1 21 1 12 LEU H 1 12 LEU HB2 2.000 . 2.500 2.258 2.064 2.561 0.061 2 0 "[ . 1 . 2 . 3]" 1 22 1 12 LEU H 1 12 LEU QD 2.600 . 3.400 2.636 2.391 2.846 . 0 0 "[ . 1 . 2 . 3]" 1 23 1 13 ALA H 1 13 ALA MB 2.000 . 2.500 2.075 2.032 2.154 . 0 0 "[ . 1 . 2 . 3]" 1 24 1 14 SER H 1 14 SER HA 2.400 . 3.100 2.931 2.929 2.934 . 0 0 "[ . 1 . 2 . 3]" 1 25 1 14 SER H 1 14 SER HB2 2.200 . 2.800 2.728 2.249 3.686 0.886 29 7 "[- *. *1 *. * . *+3]" 1 26 1 15 ALA H 1 15 ALA HA 2.500 . 3.300 2.936 2.909 2.946 . 0 0 "[ . 1 . 2 . 3]" 1 27 1 15 ALA H 1 15 ALA MB 2.100 . 2.700 2.518 2.416 2.646 . 0 0 "[ . 1 . 2 . 3]" 1 28 1 18 GLN H 1 18 GLN HA 2.500 . 3.300 2.853 2.738 2.872 . 0 0 "[ . 1 . 2 . 3]" 1 29 1 18 GLN H 1 18 GLN HG3 2.800 . 3.800 2.954 1.790 4.021 0.221 16 0 "[ . 1 . 2 . 3]" 1 30 1 18 GLN H 1 18 GLN QB 2.100 . 2.700 2.275 2.066 2.806 0.106 22 0 "[ . 1 . 2 . 3]" 1 31 1 19 GLU H 1 19 GLU HA 2.600 . 3.400 2.913 2.888 2.944 . 0 0 "[ . 1 . 2 . 3]" 1 32 1 19 GLU H 1 19 GLU QG 2.500 . 5.500 3.853 3.027 4.181 . 0 0 "[ . 1 . 2 . 3]" 1 33 1 19 GLU H 1 19 GLU HB3 2.500 . 3.300 3.090 2.631 3.472 0.172 27 0 "[ . 1 . 2 . 3]" 1 34 1 19 GLU H 1 19 GLU HB2 2.200 . 2.800 2.309 2.125 2.575 . 0 0 "[ . 1 . 2 . 3]" 1 35 1 20 GLN H 1 20 GLN HA 2.600 . 3.400 2.743 2.710 2.806 . 0 0 "[ . 1 . 2 . 3]" 1 36 1 20 GLN H 1 20 GLN HG3 2.900 . 4.000 2.216 1.417 4.429 0.429 12 0 "[ . 1 . 2 . 3]" 1 37 1 20 GLN H 1 20 GLN QB 2.500 . 5.500 2.704 2.079 2.946 . 0 0 "[ . 1 . 2 . 3]" 1 38 1 21 LYS H 1 21 LYS HB2 2.300 . 5.500 3.473 2.584 3.556 . 0 0 "[ . 1 . 2 . 3]" 1 39 1 21 LYS H 1 21 LYS HB3 2.400 . 3.100 2.955 2.348 3.105 0.005 7 0 "[ . 1 . 2 . 3]" 1 40 1 21 LYS H 1 21 LYS HG2 3.100 . 4.300 3.125 2.370 4.384 0.084 26 0 "[ . 1 . 2 . 3]" 1 41 1 21 LYS H 1 21 LYS HD2 2.700 . 5.500 3.408 2.509 4.733 . 0 0 "[ . 1 . 2 . 3]" 1 42 1 21 LYS H 1 21 LYS HA 2.600 . 3.400 2.759 2.746 2.775 . 0 0 "[ . 1 . 2 . 3]" 1 43 1 22 GLN H 1 22 GLN HA 2.500 . 3.300 2.862 2.851 2.870 . 0 0 "[ . 1 . 2 . 3]" 1 44 1 22 GLN H 1 22 GLN QG 2.200 . 5.500 3.967 3.912 4.019 . 0 0 "[ . 1 . 2 . 3]" 1 45 1 22 GLN H 1 22 GLN QB 2.300 . 3.000 2.253 2.226 2.287 . 0 0 "[ . 1 . 2 . 3]" 1 46 1 21 LYS H 1 21 LYS QE 3.700 . 5.400 3.701 2.664 4.425 . 0 0 "[ . 1 . 2 . 3]" 1 47 1 23 MET H 1 23 MET HA 2.600 . 3.400 2.822 2.809 2.829 . 0 0 "[ . 1 . 2 . 3]" 1 48 1 23 MET H 1 23 MET HG3 2.400 . 5.500 1.569 1.360 1.723 . 0 0 "[ . 1 . 2 . 3]" 1 49 1 23 MET H 1 23 MET HG2 2.600 . 3.400 3.145 2.671 3.253 . 0 0 "[ . 1 . 2 . 3]" 1 50 1 23 MET H 1 23 MET HB2 2.400 . 5.500 3.420 3.386 3.483 . 0 0 "[ . 1 . 2 . 3]" 1 51 1 23 MET H 1 23 MET HB3 2.600 . 3.400 3.168 3.059 3.222 . 0 0 "[ . 1 . 2 . 3]" 1 52 1 24 LEU H 1 24 LEU HA 2.700 . 3.600 2.766 2.744 2.776 . 0 0 "[ . 1 . 2 . 3]" 1 53 1 24 LEU H 1 24 LEU HB2 2.900 . 4.000 3.478 3.403 3.567 . 0 0 "[ . 1 . 2 . 3]" 1 54 1 24 LEU H 1 24 LEU QD 2.600 . 3.400 2.391 2.158 2.621 . 0 0 "[ . 1 . 2 . 3]" 1 55 1 25 GLY H 1 25 GLY HA3 2.400 . 3.100 2.866 2.861 2.871 . 0 0 "[ . 1 . 2 . 3]" 1 56 1 25 GLY H 1 25 GLY HA2 2.300 . 3.000 2.324 2.321 2.329 . 0 0 "[ . 1 . 2 . 3]" 1 57 1 26 GLU H 1 26 GLU HA 2.700 . 3.600 2.910 2.906 2.915 . 0 0 "[ . 1 . 2 . 3]" 1 58 1 26 GLU H 1 26 GLU HB3 2.600 . 5.500 3.368 3.297 3.531 . 0 0 "[ . 1 . 2 . 3]" 1 59 1 26 GLU H 1 26 GLU HB2 2.400 . 3.100 2.189 2.174 2.260 . 0 0 "[ . 1 . 2 . 3]" 1 60 1 27 ARG H 1 27 ARG HB3 2.900 . 4.000 3.100 2.955 3.369 . 0 0 "[ . 1 . 2 . 3]" 1 61 1 27 ARG H 1 27 ARG HB2 2.900 . 4.000 3.378 3.073 3.513 . 0 0 "[ . 1 . 2 . 3]" 1 62 1 27 ARG H 1 27 ARG HA 2.500 . 3.300 2.851 2.835 2.861 . 0 0 "[ . 1 . 2 . 3]" 1 63 1 27 ARG H 1 27 ARG QD 3.500 . 5.000 4.306 4.153 4.464 . 0 0 "[ . 1 . 2 . 3]" 1 64 1 28 LEU H 1 28 LEU HA 2.600 . 3.400 2.728 2.706 2.750 . 0 0 "[ . 1 . 2 . 3]" 1 65 1 28 LEU H 1 28 LEU HB3 2.100 . 5.500 3.456 3.421 3.512 . 0 0 "[ . 1 . 2 . 3]" 1 66 1 28 LEU H 1 28 LEU HB2 2.500 . 3.300 2.156 2.086 2.278 . 0 0 "[ . 1 . 2 . 3]" 1 67 1 28 LEU H 1 28 LEU QD 2.600 . 3.400 2.272 1.786 2.756 0.114 17 0 "[ . 1 . 2 . 3]" 1 68 1 29 PHE H 1 29 PHE HA 2.400 . 3.100 2.635 2.605 2.658 . 0 0 "[ . 1 . 2 . 3]" 1 69 1 29 PHE H 1 29 PHE HB3 2.900 . 4.000 3.304 3.225 3.364 . 0 0 "[ . 1 . 2 . 3]" 1 70 1 29 PHE H 1 29 PHE HB2 2.400 . 5.500 2.128 2.088 2.166 . 0 0 "[ . 1 . 2 . 3]" 1 71 1 31 LEU H 1 31 LEU HA 2.500 . 3.300 2.855 2.844 2.866 . 0 0 "[ . 1 . 2 . 3]" 1 72 1 31 LEU H 1 31 LEU HB3 2.400 . 5.500 3.487 3.348 3.527 . 0 0 "[ . 1 . 2 . 3]" 1 73 1 31 LEU H 1 31 LEU HG 2.100 . 2.700 1.455 1.414 1.491 0.086 30 0 "[ . 1 . 2 . 3]" 1 74 1 31 LEU H 1 31 LEU QD 2.700 . 3.600 2.680 2.643 2.711 . 0 0 "[ . 1 . 2 . 3]" 1 75 1 32 ILE H 1 32 ILE MD 2.700 . 3.600 3.457 3.328 3.530 . 0 0 "[ . 1 . 2 . 3]" 1 76 1 33 GLN H 1 33 GLN HA 2.500 . 3.300 2.841 2.831 2.851 . 0 0 "[ . 1 . 2 . 3]" 1 77 1 33 GLN H 1 33 GLN QG 3.200 . 4.500 3.986 3.905 4.033 . 0 0 "[ . 1 . 2 . 3]" 1 78 1 33 GLN H 1 33 GLN HB3 2.300 . 3.000 2.389 2.242 2.524 . 0 0 "[ . 1 . 2 . 3]" 1 79 1 34 ALA H 1 34 ALA MB 1.900 . 2.400 2.175 2.055 2.275 . 0 0 "[ . 1 . 2 . 3]" 1 80 1 35 MET H 1 35 MET HA 2.600 . 3.400 2.939 2.930 2.942 . 0 0 "[ . 1 . 2 . 3]" 1 81 1 35 MET H 1 35 MET HG3 2.900 . 4.000 2.251 2.111 3.041 . 0 0 "[ . 1 . 2 . 3]" 1 82 1 35 MET H 1 35 MET HG2 2.900 . 4.000 3.270 2.178 3.457 . 0 0 "[ . 1 . 2 . 3]" 1 83 1 35 MET H 1 35 MET HB2 2.400 . 3.100 2.704 2.642 2.781 . 0 0 "[ . 1 . 2 . 3]" 1 84 1 35 MET H 1 35 MET HB3 2.600 . 5.500 3.688 3.678 3.699 . 0 0 "[ . 1 . 2 . 3]" 1 85 1 36 HIS H 1 36 HIS HA 2.700 . 3.600 2.794 2.777 2.847 . 0 0 "[ . 1 . 2 . 3]" 1 86 1 36 HIS H 1 36 HIS HB2 2.900 . 4.000 3.460 3.323 3.524 . 0 0 "[ . 1 . 2 . 3]" 1 87 1 36 HIS H 1 36 HIS HB3 2.600 . 3.400 2.151 2.007 2.238 . 0 0 "[ . 1 . 2 . 3]" 1 88 1 36 HIS H 1 36 HIS HD2 3.600 . 5.200 4.542 3.287 5.337 0.137 28 0 "[ . 1 . 2 . 3]" 1 89 1 38 THR H 1 38 THR HA 3.000 . 4.100 2.888 2.874 2.934 . 0 0 "[ . 1 . 2 . 3]" 1 90 1 38 THR H 1 38 THR HB 2.900 . 4.000 2.626 2.387 3.032 . 0 0 "[ . 1 . 2 . 3]" 1 91 1 38 THR H 1 38 THR MG 2.800 . 3.800 3.754 3.610 3.781 . 0 0 "[ . 1 . 2 . 3]" 1 92 1 38 THR H 1 39 LEU H 3.100 . 4.300 3.066 2.503 3.286 . 0 0 "[ . 1 . 2 . 3]" 1 93 1 39 LEU HA 1 40 ALA H 2.700 . 3.600 2.604 2.478 2.931 . 0 0 "[ . 1 . 2 . 3]" 1 94 1 40 ALA H 1 40 ALA HA 2.400 . 3.100 2.720 2.640 2.840 . 0 0 "[ . 1 . 2 . 3]" 1 95 1 39 LEU HB3 1 40 ALA H 3.100 . 5.500 4.307 4.119 4.468 . 0 0 "[ . 1 . 2 . 3]" 1 96 1 40 ALA H 1 40 ALA MB 2.000 . 2.500 2.208 2.050 2.283 . 0 0 "[ . 1 . 2 . 3]" 1 97 1 32 ILE MG 1 40 ALA H 2.800 . 3.800 3.590 3.420 3.867 0.067 21 0 "[ . 1 . 2 . 3]" 1 98 1 39 LEU MD2 1 40 ALA H 3.400 . 4.800 4.673 4.070 5.616 0.816 28 8 "[* * . * 1 . -* ** + 3]" 1 99 1 41 GLY H 1 41 GLY HA3 2.300 . 3.000 2.380 2.291 2.948 . 0 0 "[ . 1 . 2 . 3]" 1 100 1 42 LYS H 1 42 LYS HA 2.800 . 3.800 2.860 2.770 2.881 . 0 0 "[ . 1 . 2 . 3]" 1 101 1 42 LYS H 1 42 LYS HB3 2.500 . 3.300 2.664 2.472 2.946 . 0 0 "[ . 1 . 2 . 3]" 1 102 1 42 LYS H 1 42 LYS QG 3.400 . 4.800 4.094 4.007 4.125 . 0 0 "[ . 1 . 2 . 3]" 1 103 1 43 ILE H 1 43 ILE HA 2.700 . 3.600 2.769 2.749 2.796 . 0 0 "[ . 1 . 2 . 3]" 1 104 1 43 ILE H 1 43 ILE HB 2.700 . 3.600 2.795 2.642 2.981 . 0 0 "[ . 1 . 2 . 3]" 1 105 1 43 ILE H 1 43 ILE MD 2.700 . 3.600 3.464 3.261 3.614 0.014 11 0 "[ . 1 . 2 . 3]" 1 106 1 44 THR H 1 44 THR HA 2.200 . 2.800 2.749 2.726 2.777 . 0 0 "[ . 1 . 2 . 3]" 1 107 1 44 THR H 1 44 THR HB 2.600 . 3.400 2.488 2.170 2.565 . 0 0 "[ . 1 . 2 . 3]" 1 108 1 44 THR H 1 44 THR MG 2.700 . 3.600 2.208 2.028 3.625 0.025 29 0 "[ . 1 . 2 . 3]" 1 109 1 45 GLY H 1 45 GLY QA 2.400 . 3.100 2.183 2.176 2.188 . 0 0 "[ . 1 . 2 . 3]" 1 110 1 47 LEU H 1 47 LEU HA 2.500 . 3.300 2.867 2.808 2.879 . 0 0 "[ . 1 . 2 . 3]" 1 111 1 47 LEU H 1 47 LEU HB3 2.200 . 5.500 3.588 3.497 3.615 . 0 0 "[ . 1 . 2 . 3]" 1 112 1 47 LEU H 1 47 LEU HB2 2.500 . 3.300 2.398 2.203 2.568 . 0 0 "[ . 1 . 2 . 3]" 1 113 1 47 LEU H 1 47 LEU QD 2.400 . 3.100 1.952 1.688 2.486 0.012 19 0 "[ . 1 . 2 . 3]" 1 114 1 46 MET H 1 46 MET HA 2.600 . 3.400 2.771 2.744 2.872 . 0 0 "[ . 1 . 2 . 3]" 1 115 1 46 MET H 1 46 MET QG 2.500 . 3.300 1.498 1.337 1.822 0.363 27 0 "[ . 1 . 2 . 3]" 1 116 1 46 MET H 1 46 MET QB 2.400 . 4.000 2.879 2.736 2.966 . 0 0 "[ . 1 . 2 . 3]" 1 117 1 48 LEU H 1 48 LEU HA 2.400 . 3.100 2.833 2.806 2.850 . 0 0 "[ . 1 . 2 . 3]" 1 118 1 48 LEU H 1 48 LEU HB3 2.200 . 5.500 3.063 2.937 3.294 . 0 0 "[ . 1 . 2 . 3]" 1 119 1 48 LEU H 1 48 LEU HB2 2.500 . 3.300 2.145 2.089 2.192 . 0 0 "[ . 1 . 2 . 3]" 1 120 1 48 LEU H 1 48 LEU QD 3.200 . 3.800 3.301 3.184 3.626 . 0 0 "[ . 1 . 2 . 3]" 1 121 1 49 GLU H 1 49 GLU HA 2.500 . 3.300 2.877 2.852 2.916 . 0 0 "[ . 1 . 2 . 3]" 1 122 1 49 GLU H 1 49 GLU HG3 2.400 . 5.500 2.982 1.970 3.590 . 0 0 "[ . 1 . 2 . 3]" 1 123 1 49 GLU H 1 49 GLU HB2 2.300 . 3.000 2.473 2.281 3.520 0.520 21 1 "[ . 1 . 2+ . 3]" 1 124 1 50 ILE H 1 50 ILE HA 2.400 . 3.100 2.885 2.869 2.890 . 0 0 "[ . 1 . 2 . 3]" 1 125 1 50 ILE H 1 50 ILE HB 2.300 . 3.000 2.240 2.118 2.325 . 0 0 "[ . 1 . 2 . 3]" 1 126 1 95 VAL H 1 95 VAL QG 2.400 . 3.100 2.062 1.700 2.468 . 0 0 "[ . 1 . 2 . 3]" 1 127 1 50 ILE H 1 50 ILE MD 2.600 . 5.500 4.184 4.019 4.325 . 0 0 "[ . 1 . 2 . 3]" 1 128 1 51 ASP H 1 51 ASP HA 2.500 . 3.300 2.841 2.826 2.874 . 0 0 "[ . 1 . 2 . 3]" 1 129 1 51 ASP H 1 51 ASP HB2 2.300 . 3.000 2.246 2.228 2.272 . 0 0 "[ . 1 . 2 . 3]" 1 130 1 51 ASP H 1 51 ASP HB3 2.400 . 5.500 3.529 3.521 3.542 . 0 0 "[ . 1 . 2 . 3]" 1 131 1 51 ASP HA 1 52 ASN H 1.900 . 2.400 2.314 2.172 2.368 . 0 0 "[ . 1 . 2 . 3]" 1 132 1 52 ASN H 1 52 ASN HB3 2.700 . 3.600 3.410 2.780 3.549 . 0 0 "[ . 1 . 2 . 3]" 1 133 1 52 ASN H 1 52 ASN HB2 2.700 . 3.600 2.236 2.174 2.348 . 0 0 "[ . 1 . 2 . 3]" 1 134 1 52 ASN H 1 52 ASN QD 3.500 . 5.000 4.477 3.849 4.645 . 0 0 "[ . 1 . 2 . 3]" 1 135 1 53 SER H 1 53 SER HA 2.400 . 3.100 2.875 2.866 2.880 . 0 0 "[ . 1 . 2 . 3]" 1 136 1 53 SER H 1 53 SER QB 2.100 . 2.700 2.196 2.091 2.428 . 0 0 "[ . 1 . 2 . 3]" 1 137 1 54 GLU H 1 54 GLU HA 2.300 . 3.000 2.869 2.857 2.880 . 0 0 "[ . 1 . 2 . 3]" 1 138 1 54 GLU H 1 54 GLU QG 2.700 . 3.600 2.882 2.566 3.186 . 0 0 "[ . 1 . 2 . 3]" 1 139 1 54 GLU H 1 54 GLU QB 2.200 . 2.800 2.222 2.102 2.368 . 0 0 "[ . 1 . 2 . 3]" 1 140 1 55 LEU H 1 55 LEU HA 2.800 . 3.800 2.801 2.785 2.832 . 0 0 "[ . 1 . 2 . 3]" 1 141 1 55 LEU H 1 55 LEU HB3 2.400 . 3.100 2.231 2.181 2.321 . 0 0 "[ . 1 . 2 . 3]" 1 142 1 55 LEU H 1 55 LEU HG 2.300 . 3.000 2.918 2.770 3.007 0.007 30 0 "[ . 1 . 2 . 3]" 1 143 1 55 LEU H 1 55 LEU HB2 3.000 . 4.100 3.515 3.481 3.566 . 0 0 "[ . 1 . 2 . 3]" 1 144 1 55 LEU H 1 55 LEU QD 2.900 . 4.000 3.281 3.236 3.336 . 0 0 "[ . 1 . 2 . 3]" 1 145 1 56 LEU H 1 56 LEU HA 2.500 . 3.300 2.796 2.767 2.820 . 0 0 "[ . 1 . 2 . 3]" 1 146 1 56 LEU H 1 56 LEU QB 2.200 . 2.800 2.236 2.061 2.713 . 0 0 "[ . 1 . 2 . 3]" 1 147 1 55 LEU HG 1 56 LEU H 2.400 . 3.100 1.780 1.714 1.855 . 0 0 "[ . 1 . 2 . 3]" 1 148 1 55 LEU QD 1 56 LEU H 2.800 . 3.800 2.692 2.612 2.759 . 0 0 "[ . 1 . 2 . 3]" 1 149 1 57 HIS H 1 57 HIS HA 2.400 . 3.100 2.803 2.770 2.837 . 0 0 "[ . 1 . 2 . 3]" 1 150 1 57 HIS H 1 57 HIS HB2 2.200 . 2.800 2.170 2.066 2.489 . 0 0 "[ . 1 . 2 . 3]" 1 151 1 57 HIS H 1 57 HIS HB3 2.200 . 5.500 3.203 2.564 3.556 . 0 0 "[ . 1 . 2 . 3]" 1 152 1 58 MET H 1 58 MET HA 2.800 . 3.800 2.836 2.784 2.883 . 0 0 "[ . 1 . 2 . 3]" 1 153 1 58 MET H 1 58 MET HG2 2.400 . 3.100 2.856 2.196 3.155 0.055 19 0 "[ . 1 . 2 . 3]" 1 154 1 58 MET H 1 58 MET HB2 2.300 . 3.000 2.371 2.283 2.479 . 0 0 "[ . 1 . 2 . 3]" 1 155 1 59 LEU H 1 59 LEU HA 2.400 . 3.100 2.828 2.802 2.850 . 0 0 "[ . 1 . 2 . 3]" 1 156 1 59 LEU H 1 59 LEU QB 2.200 . 3.300 2.302 2.049 2.738 . 0 0 "[ . 1 . 2 . 3]" 1 157 1 59 LEU H 1 59 LEU HG 2.300 . 5.500 4.018 2.069 4.558 . 0 0 "[ . 1 . 2 . 3]" 1 158 1 60 GLU H 1 60 GLU HA 2.400 . 3.100 2.928 2.904 2.941 . 0 0 "[ . 1 . 2 . 3]" 1 159 1 60 GLU H 1 60 GLU QG 2.300 . 5.500 2.750 2.183 3.957 . 0 0 "[ . 1 . 2 . 3]" 1 160 1 60 GLU H 1 60 GLU QB 2.100 . 2.700 2.509 2.164 2.674 . 0 0 "[ . 1 . 2 . 3]" 1 161 1 61 SER H 1 61 SER HA 2.500 . 3.300 2.945 2.940 2.949 . 0 0 "[ . 1 . 2 . 3]" 1 162 1 61 SER H 1 61 SER QB 2.300 . 3.000 2.501 2.421 2.562 . 0 0 "[ . 1 . 2 . 3]" 1 163 1 63 GLU H 1 63 GLU HA 2.400 . 3.100 2.872 2.867 2.877 . 0 0 "[ . 1 . 2 . 3]" 1 164 1 63 GLU H 1 63 GLU HG3 2.600 . 3.400 3.043 2.026 4.356 0.956 7 3 "[ . + 1 - . 2 . *]" 1 165 1 63 GLU H 1 63 GLU QB 2.100 . 2.700 2.368 2.090 2.605 . 0 0 "[ . 1 . 2 . 3]" 1 166 1 64 SER H 1 64 SER HA 2.400 . 3.100 2.839 2.825 2.855 . 0 0 "[ . 1 . 2 . 3]" 1 167 1 64 SER H 1 64 SER HB2 2.200 . 2.800 2.511 2.282 2.747 . 0 0 "[ . 1 . 2 . 3]" 1 168 1 65 LEU H 1 65 LEU HA 2.600 . 3.400 2.791 2.758 2.869 . 0 0 "[ . 1 . 2 . 3]" 1 169 1 65 LEU H 1 65 LEU HB3 2.300 . 3.000 2.191 2.064 2.302 . 0 0 "[ . 1 . 2 . 3]" 1 170 1 65 LEU H 1 65 LEU HB2 2.300 . 3.000 2.830 2.656 3.046 0.046 6 0 "[ . 1 . 2 . 3]" 1 171 1 65 LEU H 1 65 LEU HG 3.500 . 5.000 4.382 3.953 4.635 . 0 0 "[ . 1 . 2 . 3]" 1 172 1 65 LEU H 1 65 LEU QD 3.000 . 4.100 3.571 3.367 3.726 . 0 0 "[ . 1 . 2 . 3]" 1 173 1 66 ARG H 1 66 ARG HA 2.400 . 3.100 2.741 2.721 2.763 . 0 0 "[ . 1 . 2 . 3]" 1 174 1 66 ARG H 1 66 ARG QD 3.500 . 5.000 4.438 3.638 4.932 . 0 0 "[ . 1 . 2 . 3]" 1 175 1 67 SER H 1 67 SER HA 2.300 . 3.000 2.842 2.808 2.858 . 0 0 "[ . 1 . 2 . 3]" 1 176 1 67 SER H 1 67 SER HB2 2.100 . 2.700 2.260 2.079 2.722 0.022 6 0 "[ . 1 . 2 . 3]" 1 177 1 68 LYS H 1 68 LYS HA 2.600 . 3.400 2.825 2.816 2.832 . 0 0 "[ . 1 . 2 . 3]" 1 178 1 68 LYS H 1 68 LYS QB 2.300 . 3.000 2.162 2.089 2.239 . 0 0 "[ . 1 . 2 . 3]" 1 179 1 68 LYS H 1 68 LYS QG 3.500 . 4.300 3.526 2.951 3.978 . 0 0 "[ . 1 . 2 . 3]" 1 180 1 69 VAL H 1 69 VAL HA 2.500 . 3.300 2.810 2.771 2.843 . 0 0 "[ . 1 . 2 . 3]" 1 181 1 69 VAL H 1 69 VAL HB 2.100 . 2.700 2.423 2.344 2.515 . 0 0 "[ . 1 . 2 . 3]" 1 182 1 69 VAL H 1 69 VAL QG 2.600 . 2.800 2.350 2.146 2.501 . 0 0 "[ . 1 . 2 . 3]" 1 183 1 70 ASP H 1 70 ASP HA 2.300 . 3.000 2.805 2.787 2.821 . 0 0 "[ . 1 . 2 . 3]" 1 184 1 70 ASP H 1 70 ASP HB2 2.200 . 2.800 2.623 2.357 2.752 . 0 0 "[ . 1 . 2 . 3]" 1 185 1 70 ASP H 1 70 ASP HB3 2.400 . 3.100 2.476 2.369 2.746 . 0 0 "[ . 1 . 2 . 3]" 1 186 1 71 GLU H 1 71 GLU HA 2.400 . 3.100 2.852 2.841 2.857 . 0 0 "[ . 1 . 2 . 3]" 1 187 1 71 GLU H 1 71 GLU HG3 3.000 . 5.500 4.391 4.347 4.427 . 0 0 "[ . 1 . 2 . 3]" 1 188 1 71 GLU H 1 71 GLU HB3 2.400 . 3.100 2.668 2.599 2.739 . 0 0 "[ . 1 . 2 . 3]" 1 189 1 71 GLU H 1 71 GLU HB2 2.400 . 3.100 2.430 2.366 2.502 . 0 0 "[ . 1 . 2 . 3]" 1 190 1 72 ALA H 1 72 ALA HA 2.600 . 3.400 2.806 2.784 2.834 . 0 0 "[ . 1 . 2 . 3]" 1 191 1 72 ALA H 1 72 ALA MB 2.200 . 2.800 2.088 2.028 2.150 . 0 0 "[ . 1 . 2 . 3]" 1 192 1 73 VAL H 1 73 VAL HA 2.500 . 3.300 2.822 2.793 2.845 . 0 0 "[ . 1 . 2 . 3]" 1 193 1 73 VAL H 1 73 VAL HB 2.900 . 4.000 3.065 2.271 3.644 . 0 0 "[ . 1 . 2 . 3]" 1 194 1 73 VAL H 1 73 VAL QG 2.500 . 2.800 2.130 1.750 2.549 . 0 0 "[ . 1 . 2 . 3]" 1 195 1 74 ALA H 1 74 ALA HA 2.400 . 3.100 2.842 2.823 2.875 . 0 0 "[ . 1 . 2 . 3]" 1 196 1 74 ALA H 1 74 ALA MB 2.100 . 2.700 2.211 2.047 2.252 . 0 0 "[ . 1 . 2 . 3]" 1 197 1 75 VAL H 1 75 VAL HA 2.800 . 3.800 2.809 2.788 2.853 . 0 0 "[ . 1 . 2 . 3]" 1 198 1 75 VAL H 1 75 VAL HB 2.400 . 5.500 3.540 2.343 3.625 . 0 0 "[ . 1 . 2 . 3]" 1 199 1 75 VAL H 1 75 VAL QG 2.500 . 3.300 1.796 1.681 2.326 0.219 9 0 "[ . 1 . 2 . 3]" 1 200 1 76 LEU H 1 76 LEU HA 2.700 . 3.600 2.851 2.806 2.868 . 0 0 "[ . 1 . 2 . 3]" 1 201 1 76 LEU H 1 76 LEU QB 2.500 . 3.300 2.243 2.153 2.591 . 0 0 "[ . 1 . 2 . 3]" 1 202 1 76 LEU H 1 76 LEU QD 3.100 . 4.300 3.058 1.930 3.670 . 0 0 "[ . 1 . 2 . 3]" 1 203 1 77 GLN H 1 77 GLN HA 2.500 . 3.300 2.775 2.757 2.816 . 0 0 "[ . 1 . 2 . 3]" 1 204 1 77 GLN H 1 77 GLN QG 2.600 . 3.400 2.481 2.104 2.733 . 0 0 "[ . 1 . 2 . 3]" 1 205 1 77 GLN H 1 77 GLN QB 2.400 . 3.100 2.301 2.186 2.515 . 0 0 "[ . 1 . 2 . 3]" 1 206 1 78 ALA H 1 78 ALA MB 2.600 . 3.400 2.176 2.084 2.275 . 0 0 "[ . 1 . 2 . 3]" 1 207 1 79 HIS H 1 79 HIS HA 2.600 . 3.400 2.823 2.792 2.874 . 0 0 "[ . 1 . 2 . 3]" 1 208 1 79 HIS H 1 79 HIS HB3 2.400 . 3.100 2.671 2.362 3.108 0.008 24 0 "[ . 1 . 2 . 3]" 1 209 1 79 HIS H 1 79 HIS HB2 2.400 . 3.100 2.436 2.130 2.758 . 0 0 "[ . 1 . 2 . 3]" 1 210 1 79 HIS H 1 79 HIS HD2 4.100 . 5.500 5.096 4.140 5.451 . 0 0 "[ . 1 . 2 . 3]" 1 211 1 80 GLN H 1 80 GLN HA 2.500 . 3.300 2.851 2.790 2.892 . 0 0 "[ . 1 . 2 . 3]" 1 212 1 80 GLN H 1 80 GLN HG3 2.800 . 3.800 2.991 1.906 4.563 0.763 9 2 "[ . +1 . 2- . 3]" 1 213 1 80 GLN H 1 80 GLN HG2 3.300 . 4.700 3.727 3.002 4.560 . 0 0 "[ . 1 . 2 . 3]" 1 214 1 80 GLN H 1 80 GLN HB3 2.900 . 4.000 3.398 2.138 3.616 . 0 0 "[ . 1 . 2 . 3]" 1 215 1 80 GLN H 1 80 GLN HB2 2.800 . 3.800 2.373 2.071 3.186 . 0 0 "[ . 1 . 2 . 3]" 1 216 1 81 ALA H 1 81 ALA MB 2.200 . 2.800 2.163 2.032 2.269 . 0 0 "[ . 1 . 2 . 3]" 1 217 1 83 GLU H 1 83 GLU HA 2.300 . 3.000 2.881 2.844 2.923 . 0 0 "[ . 1 . 2 . 3]" 1 218 1 83 GLU H 1 83 GLU QB 2.200 . 2.800 2.199 2.068 2.333 . 0 0 "[ . 1 . 2 . 3]" 1 219 1 83 GLU H 1 83 GLU HG3 2.700 . 5.500 4.309 3.724 4.575 . 0 0 "[ . 1 . 2 . 3]" 1 220 1 83 GLU H 1 83 GLU HG2 2.800 . 5.500 4.366 2.923 4.707 . 0 0 "[ . 1 . 2 . 3]" 1 221 1 87 LYS H 1 87 LYS HB3 2.800 . 3.800 3.243 2.800 3.667 . 0 0 "[ . 1 . 2 . 3]" 1 222 1 87 LYS H 1 87 LYS HB2 2.500 . 3.300 2.351 2.112 3.511 0.211 19 0 "[ . 1 . 2 . 3]" 1 223 1 84 ALA H 1 84 ALA HA 2.500 . 3.300 2.852 2.810 2.881 . 0 0 "[ . 1 . 2 . 3]" 1 224 1 84 ALA H 1 84 ALA MB 2.200 . 2.800 2.163 2.031 2.274 . 0 0 "[ . 1 . 2 . 3]" 1 225 1 85 ALA H 1 85 ALA HA 2.400 . 3.100 2.851 2.804 2.909 . 0 0 "[ . 1 . 2 . 3]" 1 226 1 85 ALA H 1 85 ALA MB 2.100 . 2.700 2.129 2.028 2.241 . 0 0 "[ . 1 . 2 . 3]" 1 227 1 86 GLN H 1 86 GLN HG2 2.900 . 4.000 3.215 1.694 4.603 0.603 24 2 "[ . - 1 . 2 +. 3]" 1 228 1 86 GLN H 1 86 GLN HB3 2.800 . 3.800 3.369 2.229 3.664 . 0 0 "[ . 1 . 2 . 3]" 1 229 1 86 GLN H 1 86 GLN HB2 2.600 . 3.400 2.583 2.095 3.611 0.211 2 0 "[ . 1 . 2 . 3]" 1 230 1 88 ALA H 1 88 ALA HA 2.900 . 4.000 2.887 2.834 2.910 . 0 0 "[ . 1 . 2 . 3]" 1 231 1 87 LYS HA 1 88 ALA H 2.700 . 3.600 2.739 2.140 3.570 . 0 0 "[ . 1 . 2 . 3]" 1 232 1 87 LYS HB3 1 88 ALA H 3.400 . 4.800 3.519 1.984 4.502 0.016 10 0 "[ . 1 . 2 . 3]" 1 233 1 87 LYS HB2 1 88 ALA H 3.300 . 4.700 3.960 2.361 4.650 . 0 0 "[ . 1 . 2 . 3]" 1 234 1 88 ALA H 1 88 ALA MB 2.400 . 3.100 2.180 2.051 2.300 . 0 0 "[ . 1 . 2 . 3]" 1 235 1 89 VAL H 1 89 VAL HA 2.700 . 3.600 2.916 2.872 2.939 . 0 0 "[ . 1 . 2 . 3]" 1 236 1 89 VAL H 1 89 VAL HB 2.600 . 3.400 3.043 2.629 3.499 0.099 13 0 "[ . 1 . 2 . 3]" 1 237 1 89 VAL H 1 89 VAL MG1 2.600 . 3.400 3.160 1.800 3.835 0.435 10 0 "[ . 1 . 2 . 3]" 1 238 1 90 ASN H 1 90 ASN HB3 3.600 . 5.200 3.182 2.560 3.722 . 0 0 "[ . 1 . 2 . 3]" 1 239 1 90 ASN H 1 90 ASN HB2 3.300 . 4.700 2.580 2.139 3.665 . 0 0 "[ . 1 . 2 . 3]" 1 240 1 91 SER H 1 91 SER HB3 4.300 . 5.500 3.224 2.199 3.649 . 0 0 "[ . 1 . 2 . 3]" 1 241 1 91 SER H 1 91 SER HB2 4.400 . 5.500 2.834 2.089 3.644 . 0 0 "[ . 1 . 2 . 3]" 1 242 1 92 ALA H 1 92 ALA MB 3.100 . 4.300 2.187 2.032 2.316 . 0 0 "[ . 1 . 2 . 3]" 1 243 1 93 THR H 1 93 THR HB 4.200 . 5.500 3.453 2.878 3.752 . 0 0 "[ . 1 . 2 . 3]" 1 244 1 93 THR H 1 93 THR MG 4.000 . 5.500 3.030 2.030 3.839 . 0 0 "[ . 1 . 2 . 3]" 1 245 1 95 VAL H 1 95 VAL HB 3.100 . 4.300 2.997 2.542 3.712 . 0 0 "[ . 1 . 2 . 3]" 1 246 1 96 PRO HA 1 97 THR H 2.900 . 4.000 2.709 2.149 3.576 . 0 0 "[ . 1 . 2 . 3]" 1 247 1 82 LYS H 1 82 LYS HA 2.400 . 3.100 2.854 2.777 2.881 . 0 0 "[ . 1 . 2 . 3]" 1 248 1 82 LYS H 1 82 LYS QB 2.100 . 2.700 2.340 2.056 2.706 0.006 24 0 "[ . 1 . 2 . 3]" 1 249 1 82 LYS H 1 82 LYS QG 2.800 . 3.800 2.704 1.834 3.785 . 0 0 "[ . 1 . 2 . 3]" 1 250 1 18 GLN H 1 18 GLN HG2 3.500 . 5.000 3.675 2.278 4.460 . 0 0 "[ . 1 . 2 . 3]" 1 251 1 24 LEU H 1 24 LEU HG 3.500 . 5.000 3.249 1.938 4.144 0.062 11 0 "[ . 1 . 2 . 3]" 1 252 1 24 LEU H 1 24 LEU HB3 2.700 . 3.600 2.364 2.077 2.774 . 0 0 "[ . 1 . 2 . 3]" 1 253 1 31 LEU H 1 31 LEU HB2 2.700 . 3.600 3.168 3.055 3.404 . 0 0 "[ . 1 . 2 . 3]" 1 254 1 32 ILE H 1 32 ILE HB 2.300 . 3.000 3.035 2.976 3.129 0.129 28 0 "[ . 1 . 2 . 3]" 1 255 1 50 ILE H 1 50 ILE HG13 2.300 . 5.500 4.052 3.818 4.209 . 0 0 "[ . 1 . 2 . 3]" 1 256 1 26 GLU H 1 26 GLU QG 2.400 . 5.500 3.872 2.921 3.971 . 0 0 "[ . 1 . 2 . 3]" 1 257 1 25 GLY HA2 1 26 GLU H 2.400 . 5.500 3.300 3.276 3.314 . 0 0 "[ . 1 . 2 . 3]" 1 258 1 42 LYS H 1 42 LYS QD 3.800 . 5.500 4.125 4.000 4.265 . 0 0 "[ . 1 . 2 . 3]" 1 259 1 47 LEU H 1 47 LEU HG 2.400 . 5.500 3.802 2.672 4.049 . 0 0 "[ . 1 . 2 . 3]" 1 260 1 68 LYS H 1 68 LYS HD2 3.800 . 5.500 5.153 4.549 5.940 0.440 22 0 "[ . 1 . 2 . 3]" 1 261 1 68 LYS H 1 68 LYS QE 5.200 . 5.500 4.616 4.142 5.192 . 0 0 "[ . 1 . 2 . 3]" 1 262 1 76 LEU H 1 76 LEU HG 2.500 . 5.500 4.031 2.003 4.624 . 0 0 "[ . 1 . 2 . 3]" 1 263 1 24 LEU QD 1 52 ASN QD 3.700 . 5.200 4.440 4.126 4.571 . 0 0 "[ . 1 . 2 . 3]" 1 264 1 20 GLN QB 1 52 ASN QD 3.500 . 4.100 3.281 2.726 3.503 . 0 0 "[ . 1 . 2 . 3]" 1 265 1 52 ASN HB2 1 52 ASN QD 2.800 . 3.800 3.169 2.335 3.320 . 0 0 "[ . 1 . 2 . 3]" 1 266 1 52 ASN HB3 1 52 ASN QD 2.800 . 3.800 2.385 2.100 3.356 . 0 0 "[ . 1 . 2 . 3]" 1 267 1 21 LYS QG 1 52 ASN QD 4.100 . 5.500 5.043 4.581 5.374 . 0 0 "[ . 1 . 2 . 3]" 1 268 1 21 LYS HB3 1 52 ASN QD 3.900 . 5.500 5.088 4.764 5.351 . 0 0 "[ . 1 . 2 . 3]" 1 269 1 21 LYS HA 1 52 ASN QD 4.100 . 5.500 5.050 4.513 5.301 . 0 0 "[ . 1 . 2 . 3]" 1 270 1 26 GLU HA 1 52 ASN QD 4.200 . 5.500 3.056 2.474 3.330 . 0 0 "[ . 1 . 2 . 3]" 1 271 1 20 GLN QB 1 20 GLN QE 3.200 . 4.300 2.659 1.357 3.613 0.543 23 1 "[ . 1 . 2 + . 3]" 1 272 1 20 GLN QE 1 20 GLN HG2 3.000 . 4.100 2.882 2.099 3.349 . 0 0 "[ . 1 . 2 . 3]" 1 273 1 20 GLN QE 1 20 GLN QG 3.300 . 4.700 2.296 2.064 2.775 . 0 0 "[ . 1 . 2 . 3]" 1 274 1 20 GLN QE 2 17 VAL HA 3.500 . 5.500 5.071 4.687 5.357 . 0 0 "[ . 1 . 2 . 3]" 1 275 1 3 LEU QB 1 4 GLY H 4.000 . 5.500 3.172 1.991 3.896 0.009 3 0 "[ . 1 . 2 . 3]" 1 276 1 3 LEU HA 1 4 GLY H 2.800 . 3.800 2.721 2.141 3.572 . 0 0 "[ . 1 . 2 . 3]" 1 277 1 3 LEU H 1 4 GLY H 3.700 . 5.400 3.613 2.337 4.587 . 0 0 "[ . 1 . 2 . 3]" 1 278 1 4 GLY H 1 5 SER H 3.700 . 5.400 3.221 2.113 4.431 . 0 0 "[ . 1 . 2 . 3]" 1 279 1 3 LEU QB 1 5 SER H 4.800 . 5.500 4.159 2.418 5.216 . 0 0 "[ . 1 . 2 . 3]" 1 280 1 4 GLY QA 1 5 SER H 2.500 . 3.300 2.546 2.109 2.915 . 0 0 "[ . 1 . 2 . 3]" 1 281 1 7 LEU H 1 8 THR H 3.200 . 4.500 3.603 2.176 4.540 0.040 16 0 "[ . 1 . 2 . 3]" 1 282 1 8 THR H 1 9 ALA H 3.400 . 4.800 2.303 2.261 2.350 . 0 0 "[ . 1 . 2 . 3]" 1 283 1 8 THR H 1 33 GLN HB2 4.300 . 5.500 4.472 4.040 4.894 . 0 0 "[ . 1 . 2 . 3]" 1 284 1 8 THR H 1 11 MET HB2 2.400 . 5.500 5.337 5.136 5.468 . 0 0 "[ . 1 . 2 . 3]" 1 285 1 8 THR H 1 11 MET HG2 3.300 . 5.500 5.487 5.395 5.522 0.022 5 0 "[ . 1 . 2 . 3]" 1 286 1 8 THR H 1 11 MET HG3 2.900 . 4.000 4.055 4.011 4.080 0.080 17 0 "[ . 1 . 2 . 3]" 1 287 1 9 ALA H 1 11 MET H 4.100 . 5.500 3.876 3.779 3.966 . 0 0 "[ . 1 . 2 . 3]" 1 288 1 9 ALA H 1 12 LEU H 4.400 . 5.500 4.665 4.600 4.710 . 0 0 "[ . 1 . 2 . 3]" 1 289 1 9 ALA H 1 10 SER H 3.100 . 4.300 2.573 2.549 2.598 . 0 0 "[ . 1 . 2 . 3]" 1 290 1 8 THR HA 1 9 ALA H 2.100 . 5.500 3.493 3.461 3.515 . 0 0 "[ . 1 . 2 . 3]" 1 291 1 9 ALA H 1 12 LEU QD 2.900 . 5.500 4.145 3.939 4.352 . 0 0 "[ . 1 . 2 . 3]" 1 292 1 8 THR MG 1 9 ALA H 2.800 . 3.800 2.039 1.863 2.410 . 0 0 "[ . 1 . 2 . 3]" 1 293 1 9 ALA HA 1 10 SER H 3.500 . 5.000 3.505 3.487 3.523 . 0 0 "[ . 1 . 2 . 3]" 1 294 1 8 THR MG 1 10 SER H 4.600 . 5.500 4.256 4.124 4.462 . 0 0 "[ . 1 . 2 . 3]" 1 295 1 9 ALA MB 1 10 SER H 2.900 . 4.000 2.653 2.559 2.718 . 0 0 "[ . 1 . 2 . 3]" 1 296 1 11 MET H 1 12 LEU H 2.300 . 3.000 2.575 2.540 2.615 . 0 0 "[ . 1 . 2 . 3]" 1 297 1 8 THR H 1 11 MET H 3.200 . 4.500 4.539 4.516 4.563 0.063 30 0 "[ . 1 . 2 . 3]" 1 298 1 10 SER H 1 11 MET H 2.900 . 4.000 2.466 2.420 2.514 . 0 0 "[ . 1 . 2 . 3]" 1 299 1 10 SER HA 1 11 MET H 2.600 . 5.500 3.518 3.502 3.530 . 0 0 "[ . 1 . 2 . 3]" 1 300 1 9 ALA MB 1 11 MET H 3.300 . 4.700 4.428 4.344 4.498 . 0 0 "[ . 1 . 2 . 3]" 1 301 1 8 THR MG 1 11 MET H 3.400 . 4.800 4.695 4.569 4.793 . 0 0 "[ . 1 . 2 . 3]" 1 302 1 10 SER H 1 12 LEU H 4.200 . 5.500 3.941 3.862 4.027 . 0 0 "[ . 1 . 2 . 3]" 1 303 1 11 MET HB2 1 12 LEU H 2.800 . 3.800 2.692 2.621 2.765 . 0 0 "[ . 1 . 2 . 3]" 1 304 1 11 MET HB3 1 12 LEU H 2.900 . 4.000 3.841 3.772 3.909 . 0 0 "[ . 1 . 2 . 3]" 1 305 1 11 MET HG2 1 12 LEU H 3.400 . 4.800 4.569 4.514 4.635 . 0 0 "[ . 1 . 2 . 3]" 1 306 1 9 ALA HA 1 12 LEU H 2.800 . 3.800 3.342 3.237 3.434 . 0 0 "[ . 1 . 2 . 3]" 1 307 1 11 MET HA 1 12 LEU H 2.900 . 4.000 3.510 3.497 3.524 . 0 0 "[ . 1 . 2 . 3]" 1 308 1 10 SER QB 1 12 LEU H 3.400 . 4.800 4.687 4.608 4.792 . 0 0 "[ . 1 . 2 . 3]" 1 309 1 13 ALA H 1 14 SER H 2.400 . 3.100 2.561 2.522 2.598 . 0 0 "[ . 1 . 2 . 3]" 1 310 1 10 SER H 1 13 ALA H 4.700 . 5.500 5.103 5.067 5.140 . 0 0 "[ . 1 . 2 . 3]" 1 311 1 12 LEU QD 1 13 ALA H 3.800 . 5.500 3.942 3.841 4.049 . 0 0 "[ . 1 . 2 . 3]" 1 312 1 12 LEU QB 1 13 ALA H 2.200 . 2.800 2.431 2.245 2.619 . 0 0 "[ . 1 . 2 . 3]" 1 313 1 11 MET HB2 1 13 ALA H 4.000 . 5.500 5.232 5.102 5.351 . 0 0 "[ . 1 . 2 . 3]" 1 314 1 10 SER HA 1 13 ALA H 3.600 . 5.200 3.500 3.423 3.559 . 0 0 "[ . 1 . 2 . 3]" 1 315 1 10 SER QB 1 13 ALA H 2.600 . 5.500 5.134 5.039 5.186 . 0 0 "[ . 1 . 2 . 3]" 1 316 1 12 LEU HA 1 13 ALA H 3.600 . 5.200 3.547 3.536 3.555 . 0 0 "[ . 1 . 2 . 3]" 1 317 1 10 SER QB 1 14 SER H 3.500 . 5.500 5.317 5.017 5.482 . 0 0 "[ . 1 . 2 . 3]" 1 318 1 11 MET HA 1 14 SER H 3.200 . 4.500 3.088 3.041 3.164 . 0 0 "[ . 1 . 2 . 3]" 1 319 1 13 ALA HA 1 14 SER H 2.700 . 3.600 3.490 3.456 3.518 . 0 0 "[ . 1 . 2 . 3]" 1 320 1 12 LEU QD 1 14 SER H 4.000 . 5.500 5.077 4.892 5.212 . 0 0 "[ . 1 . 2 . 3]" 1 321 1 13 ALA MB 1 14 SER H 2.500 . 3.300 2.868 2.761 2.951 . 0 0 "[ . 1 . 2 . 3]" 1 322 1 12 LEU QB 1 14 SER H 3.300 . 4.700 4.361 4.205 4.542 . 0 0 "[ . 1 . 2 . 3]" 1 323 1 11 MET HB2 1 14 SER H 4.300 . 5.500 5.135 5.020 5.293 . 0 0 "[ . 1 . 2 . 3]" 1 324 1 11 MET HG2 1 14 SER H 4.300 . 5.500 5.516 5.479 5.552 0.052 23 0 "[ . 1 . 2 . 3]" 1 325 1 14 SER H 1 15 ALA H 2.700 . 3.600 2.685 2.508 3.090 . 0 0 "[ . 1 . 2 . 3]" 1 326 1 13 ALA H 1 15 ALA H 3.200 . 4.500 4.206 4.032 4.555 0.055 13 0 "[ . 1 . 2 . 3]" 1 327 1 14 SER HA 1 15 ALA H 2.700 . 3.600 3.030 2.756 3.150 . 0 0 "[ . 1 . 2 . 3]" 1 328 1 13 ALA HA 1 15 ALA H 2.800 . 3.800 3.794 3.697 3.875 0.075 10 0 "[ . 1 . 2 . 3]" 1 329 1 14 SER QB 1 15 ALA H 2.900 . 4.000 3.786 3.620 4.007 0.007 29 0 "[ . 1 . 2 . 3]" 1 330 1 12 LEU QD 1 15 ALA H 3.600 . 5.500 5.127 4.891 5.378 . 0 0 "[ . 1 . 2 . 3]" 1 331 1 13 ALA MB 1 15 ALA H 3.100 . 5.500 4.389 4.339 4.463 . 0 0 "[ . 1 . 2 . 3]" 1 332 1 12 LEU QB 1 15 ALA H 3.900 . 5.500 4.916 4.755 5.288 . 0 0 "[ . 1 . 2 . 3]" 1 333 1 15 ALA H 1 23 MET ME 3.500 . 5.000 3.957 3.704 4.425 . 0 0 "[ . 1 . 2 . 3]" 1 334 1 15 ALA H 1 19 GLU QG 4.200 . 5.500 5.316 5.255 5.372 . 0 0 "[ . 1 . 2 . 3]" 1 335 1 15 ALA H 1 23 MET HG2 3.400 . 4.800 4.817 4.623 4.880 0.080 5 0 "[ . 1 . 2 . 3]" 1 336 1 18 GLN H 1 19 GLU H 2.500 . 5.500 3.172 2.496 4.006 . 0 0 "[ . 1 . 2 . 3]" 1 337 1 19 GLU H 1 22 GLN H 4.000 . 5.500 5.459 5.306 5.547 0.047 11 0 "[ . 1 . 2 . 3]" 1 338 1 19 GLU H 1 20 GLN H 2.300 . 3.000 2.503 2.278 2.717 . 0 0 "[ . 1 . 2 . 3]" 1 339 1 15 ALA HA 1 19 GLU H 4.700 . 5.500 5.372 4.911 5.546 0.046 5 0 "[ . 1 . 2 . 3]" 1 340 1 18 GLN HA 1 19 GLU H 2.800 . 3.800 2.895 2.339 3.410 . 0 0 "[ . 1 . 2 . 3]" 1 341 1 15 ALA MB 1 19 GLU H 3.300 . 4.700 3.889 3.419 4.239 . 0 0 "[ . 1 . 2 . 3]" 1 342 1 18 GLN QB 1 19 GLU H 2.500 . 5.500 3.597 3.049 3.920 . 0 0 "[ . 1 . 2 . 3]" 1 343 1 18 GLN HG3 1 19 GLU H 3.000 . 5.500 4.959 2.669 5.951 0.451 16 0 "[ . 1 . 2 . 3]" 1 344 1 18 GLN H 1 20 GLN H 3.800 . 5.500 4.878 4.233 5.409 . 0 0 "[ . 1 . 2 . 3]" 1 345 1 20 GLN H 1 21 LYS H 2.700 . 3.600 3.068 2.757 3.233 . 0 0 "[ . 1 . 2 . 3]" 1 346 1 20 GLN H 1 24 LEU QD 5.000 . 5.500 4.073 3.981 4.215 . 0 0 "[ . 1 . 2 . 3]" 1 347 1 15 ALA MB 1 20 GLN H 2.900 . 5.500 4.817 4.430 5.224 . 0 0 "[ . 1 . 2 . 3]" 1 348 1 19 GLU HB2 1 20 GLN H 2.700 . 5.500 4.084 3.716 4.351 . 0 0 "[ . 1 . 2 . 3]" 1 349 1 18 GLN QB 1 20 GLN H 3.500 . 5.000 4.167 3.714 4.613 . 0 0 "[ . 1 . 2 . 3]" 1 350 1 19 GLU HB3 1 20 GLN H 2.800 . 5.500 3.921 3.687 4.127 . 0 0 "[ . 1 . 2 . 3]" 1 351 1 18 GLN HA 1 20 GLN H 3.800 . 5.500 3.156 2.924 3.403 . 0 0 "[ . 1 . 2 . 3]" 1 352 1 19 GLU HA 1 20 GLN H 3.000 . 4.100 3.143 3.055 3.223 . 0 0 "[ . 1 . 2 . 3]" 1 353 1 21 LYS H 1 52 ASN QD 4.700 . 5.500 4.840 4.109 5.077 . 0 0 "[ . 1 . 2 . 3]" 1 354 1 21 LYS H 1 22 GLN H 2.600 . 3.400 2.784 2.742 2.821 . 0 0 "[ . 1 . 2 . 3]" 1 355 1 20 GLN QE 1 21 LYS H 2.600 . 3.400 2.005 1.614 2.426 0.186 25 0 "[ . 1 . 2 . 3]" 1 356 1 21 LYS H 1 23 MET H 3.700 . 5.400 5.368 5.154 5.440 0.040 9 0 "[ . 1 . 2 . 3]" 1 357 1 21 LYS H 1 24 LEU QD 3.600 . 5.200 4.117 4.011 4.262 . 0 0 "[ . 1 . 2 . 3]" 1 358 1 20 GLN QB 1 21 LYS H 2.400 . 4.000 2.748 2.342 3.284 . 0 0 "[ . 1 . 2 . 3]" 1 359 1 20 GLN HG3 1 21 LYS H 3.100 . 4.300 2.593 1.736 3.815 0.164 22 0 "[ . 1 . 2 . 3]" 1 360 1 20 GLN HA 1 21 LYS H 2.900 . 4.000 3.563 3.543 3.584 . 0 0 "[ . 1 . 2 . 3]" 1 361 1 18 GLN HA 1 21 LYS H 3.100 . 5.500 5.345 4.894 5.560 0.060 13 0 "[ . 1 . 2 . 3]" 1 362 1 19 GLU HA 1 21 LYS H 3.500 . 5.000 4.296 3.997 4.564 . 0 0 "[ . 1 . 2 . 3]" 1 363 1 20 GLN QE 1 22 GLN H 3.900 . 5.500 4.453 4.175 4.733 . 0 0 "[ . 1 . 2 . 3]" 1 364 1 22 GLN H 1 23 MET H 2.500 . 3.300 3.014 2.965 3.052 . 0 0 "[ . 1 . 2 . 3]" 1 365 1 22 GLN H 1 25 GLY H 4.200 . 5.500 4.350 4.246 4.471 . 0 0 "[ . 1 . 2 . 3]" 1 366 1 20 GLN H 1 22 GLN H 3.300 . 4.700 3.998 3.840 4.143 . 0 0 "[ . 1 . 2 . 3]" 1 367 1 21 LYS QE 1 22 GLN H 4.500 . 5.500 3.098 1.986 4.322 0.014 27 0 "[ . 1 . 2 . 3]" 1 368 1 21 LYS HA 1 22 GLN H 2.900 . 4.000 3.445 3.416 3.483 . 0 0 "[ . 1 . 2 . 3]" 1 369 1 19 GLU HA 1 22 GLN H 2.700 . 3.600 3.394 3.244 3.495 . 0 0 "[ . 1 . 2 . 3]" 1 370 1 21 LYS HD2 1 22 GLN H 3.500 . 5.000 3.387 1.645 4.711 0.355 18 0 "[ . 1 . 2 . 3]" 1 371 1 21 LYS HB3 1 22 GLN H 2.600 . 5.500 4.324 3.090 4.411 . 0 0 "[ . 1 . 2 . 3]" 1 372 1 21 LYS HG2 1 22 GLN H 3.500 . 5.000 4.473 4.119 4.668 . 0 0 "[ . 1 . 2 . 3]" 1 373 1 21 LYS HB2 1 22 GLN H 2.500 . 5.500 3.680 3.507 4.214 . 0 0 "[ . 1 . 2 . 3]" 1 374 1 20 GLN H 1 23 MET H 4.600 . 5.500 5.403 5.145 5.548 0.048 12 0 "[ . 1 . 2 . 3]" 1 375 1 23 MET H 1 25 GLY H 4.000 . 5.500 3.771 3.704 3.843 . 0 0 "[ . 1 . 2 . 3]" 1 376 1 22 GLN HA 1 23 MET H 2.900 . 4.000 3.534 3.520 3.556 . 0 0 "[ . 1 . 2 . 3]" 1 377 1 19 GLU HA 1 23 MET H 3.400 . 5.500 4.682 4.204 5.033 . 0 0 "[ . 1 . 2 . 3]" 1 378 1 12 LEU QD 1 23 MET H 3.700 . 5.400 4.840 4.511 5.159 . 0 0 "[ . 1 . 2 . 3]" 1 379 1 22 GLN HB3 1 23 MET H 2.600 . 3.400 1.962 1.835 2.083 . 0 0 "[ . 1 . 2 . 3]" 1 380 1 22 GLN QG 1 23 MET H 2.700 . 3.600 2.661 2.499 2.902 . 0 0 "[ . 1 . 2 . 3]" 1 381 1 23 MET H 1 24 LEU H 2.800 . 3.800 3.420 3.365 3.483 . 0 0 "[ . 1 . 2 . 3]" 1 382 1 12 LEU QD 1 24 LEU H 2.900 . 4.000 2.640 2.336 2.976 . 0 0 "[ . 1 . 2 . 3]" 1 383 1 23 MET ME 1 24 LEU H 2.700 . 3.600 3.315 3.008 3.606 0.006 23 0 "[ . 1 . 2 . 3]" 1 384 1 11 MET ME 1 24 LEU H 3.400 . 4.800 4.082 3.981 4.194 . 0 0 "[ . 1 . 2 . 3]" 1 385 1 23 MET HB2 1 24 LEU H 2.600 . 5.500 1.727 1.653 1.840 . 0 0 "[ . 1 . 2 . 3]" 1 386 1 22 GLN HB3 1 24 LEU H 4.000 . 5.500 5.303 5.178 5.462 . 0 0 "[ . 1 . 2 . 3]" 1 387 1 23 MET HG2 1 24 LEU H 3.600 . 5.200 3.460 3.324 3.654 . 0 0 "[ . 1 . 2 . 3]" 1 388 1 23 MET HG3 1 24 LEU H 3.500 . 5.000 3.397 2.718 3.617 . 0 0 "[ . 1 . 2 . 3]" 1 389 1 20 GLN HA 1 24 LEU H 3.300 . 4.700 4.179 3.875 4.407 . 0 0 "[ . 1 . 2 . 3]" 1 390 1 25 GLY H 2 13 PHE QE 3.800 . 5.500 3.454 3.097 3.693 . 0 0 "[ . 1 . 2 . 3]" 1 391 1 25 GLY H 1 29 PHE QD 3.900 . 5.500 5.130 4.710 5.506 0.006 28 0 "[ . 1 . 2 . 3]" 1 392 1 24 LEU H 1 25 GLY H 2.600 . 3.400 2.945 2.909 3.007 . 0 0 "[ . 1 . 2 . 3]" 1 393 1 25 GLY H 1 26 GLU H 2.700 . 5.500 4.400 4.383 4.422 . 0 0 "[ . 1 . 2 . 3]" 1 394 1 24 LEU HA 1 25 GLY H 3.100 . 4.300 3.309 3.281 3.338 . 0 0 "[ . 1 . 2 . 3]" 1 395 1 21 LYS HA 1 25 GLY H 3.100 . 4.300 3.917 3.757 4.084 . 0 0 "[ . 1 . 2 . 3]" 1 396 1 25 GLY H 1 48 LEU QD 2.900 . 5.500 3.874 3.676 4.171 . 0 0 "[ . 1 . 2 . 3]" 1 397 1 24 LEU QD 1 25 GLY H 3.000 . 4.100 2.199 1.992 2.400 . 0 0 "[ . 1 . 2 . 3]" 1 398 1 12 LEU QD 1 25 GLY H 3.800 . 5.500 4.858 4.594 5.140 . 0 0 "[ . 1 . 2 . 3]" 1 399 1 24 LEU HB3 1 25 GLY H 2.900 . 5.500 4.315 4.117 4.578 . 0 0 "[ . 1 . 2 . 3]" 1 400 1 24 LEU HG 1 25 GLY H 3.000 . 4.100 4.035 3.901 4.123 0.023 21 0 "[ . 1 . 2 . 3]" 1 401 1 24 LEU HB2 1 25 GLY H 2.600 . 5.500 4.370 4.136 4.533 . 0 0 "[ . 1 . 2 . 3]" 1 402 1 23 MET HB3 1 25 GLY H 4.000 . 5.500 4.570 4.172 4.717 . 0 0 "[ . 1 . 2 . 3]" 1 403 1 23 MET HB2 1 25 GLY H 3.800 . 5.500 4.255 4.172 4.337 . 0 0 "[ . 1 . 2 . 3]" 1 404 1 26 GLU H 2 13 PHE QE 3.300 . 5.000 5.062 4.947 5.146 0.146 19 0 "[ . 1 . 2 . 3]" 1 405 1 24 LEU HA 1 26 GLU H 4.000 . 5.500 5.474 5.431 5.519 0.019 8 0 "[ . 1 . 2 . 3]" 1 406 1 26 GLU H 1 48 LEU QD 4.200 . 5.500 2.228 1.836 2.629 0.164 23 0 "[ . 1 . 2 . 3]" 1 407 1 27 ARG H 1 28 LEU H 2.200 . 5.500 1.390 1.320 1.446 . 0 0 "[ . 1 . 2 . 3]" 1 408 1 26 GLU H 1 27 ARG H 2.500 . 3.300 2.524 2.426 2.568 . 0 0 "[ . 1 . 2 . 3]" 1 409 1 27 ARG H 1 29 PHE H 3.400 . 4.800 4.609 4.449 4.810 0.010 20 0 "[ . 1 . 2 . 3]" 1 410 1 26 GLU QG 1 27 ARG H 3.300 . 4.700 4.046 3.979 4.112 . 0 0 "[ . 1 . 2 . 3]" 1 411 1 25 GLY HA3 1 27 ARG H 3.400 . 4.800 4.220 4.095 4.291 . 0 0 "[ . 1 . 2 . 3]" 1 412 1 24 LEU HA 1 27 ARG H 2.900 . 5.500 5.533 5.509 5.571 0.071 24 0 "[ . 1 . 2 . 3]" 1 413 1 26 GLU HA 1 27 ARG H 3.100 . 4.300 3.514 3.508 3.523 . 0 0 "[ . 1 . 2 . 3]" 1 414 1 27 ARG H 1 31 LEU QD 4.600 . 5.500 3.935 3.792 4.077 . 0 0 "[ . 1 . 2 . 3]" 1 415 1 26 GLU HB2 1 27 ARG H 2.700 . 3.600 2.500 2.206 2.606 . 0 0 "[ . 1 . 2 . 3]" 1 416 1 26 GLU HB3 1 27 ARG H 2.900 . 4.000 2.411 2.254 2.823 . 0 0 "[ . 1 . 2 . 3]" 1 417 1 25 GLY H 1 28 LEU H 4.500 . 5.500 5.558 5.504 5.606 0.106 23 0 "[ . 1 . 2 . 3]" 1 418 1 28 LEU H 1 29 PHE H 2.500 . 5.500 3.287 3.161 3.431 . 0 0 "[ . 1 . 2 . 3]" 1 419 1 25 GLY HA2 1 28 LEU H 3.900 . 5.500 5.503 5.425 5.539 0.039 7 0 "[ . 1 . 2 . 3]" 1 420 1 25 GLY HA3 1 28 LEU H 3.100 . 4.300 3.980 3.866 4.021 . 0 0 "[ . 1 . 2 . 3]" 1 421 1 27 ARG QD 1 28 LEU H 3.700 . 5.400 4.454 4.185 4.752 . 0 0 "[ . 1 . 2 . 3]" 1 422 1 24 LEU HA 1 28 LEU H 3.500 . 5.000 4.795 4.659 4.912 . 0 0 "[ . 1 . 2 . 3]" 1 423 1 26 GLU HA 1 28 LEU H 3.300 . 4.700 4.655 4.625 4.691 . 0 0 "[ . 1 . 2 . 3]" 1 424 1 27 ARG HA 1 28 LEU H 3.000 . 4.100 3.112 3.066 3.162 . 0 0 "[ . 1 . 2 . 3]" 1 425 1 24 LEU QD 1 28 LEU H 3.500 . 5.000 4.122 3.938 4.322 . 0 0 "[ . 1 . 2 . 3]" 1 426 1 28 LEU H 1 31 LEU QD 3.600 . 5.200 3.493 3.285 3.684 . 0 0 "[ . 1 . 2 . 3]" 1 427 1 27 ARG HB2 1 28 LEU H 2.500 . 5.500 4.292 4.029 4.384 . 0 0 "[ . 1 . 2 . 3]" 1 428 1 27 ARG HB3 1 28 LEU H 2.700 . 5.500 3.690 3.583 3.784 . 0 0 "[ . 1 . 2 . 3]" 1 429 1 26 GLU HB2 1 28 LEU H 3.800 . 5.500 3.359 3.125 3.478 . 0 0 "[ . 1 . 2 . 3]" 1 430 1 26 GLU HB3 1 28 LEU H 4.300 . 5.500 3.695 3.502 4.124 . 0 0 "[ . 1 . 2 . 3]" 1 431 1 29 PHE H 1 31 LEU H 3.300 . 4.700 4.746 4.686 4.789 0.089 5 0 "[ . 1 . 2 . 3]" 1 432 1 29 PHE H 1 29 PHE QD 3.500 . 5.000 3.785 3.649 3.900 . 0 0 "[ . 1 . 2 . 3]" 1 433 1 29 PHE H 1 32 ILE H 4.100 . 5.500 4.972 4.872 5.096 . 0 0 "[ . 1 . 2 . 3]" 1 434 1 25 GLY H 1 29 PHE H 4.600 . 5.500 5.293 5.116 5.464 . 0 0 "[ . 1 . 2 . 3]" 1 435 1 25 GLY HA3 1 29 PHE H 3.500 . 5.000 4.361 4.025 4.619 . 0 0 "[ . 1 . 2 . 3]" 1 436 1 29 PHE H 1 44 THR HB 4.200 . 5.500 2.836 2.542 4.003 . 0 0 "[ . 1 . 2 . 3]" 1 437 1 28 LEU HA 1 29 PHE H 2.900 . 4.000 3.536 3.501 3.561 . 0 0 "[ . 1 . 2 . 3]" 1 438 1 27 ARG HA 1 29 PHE H 3.200 . 5.500 5.034 4.839 5.245 . 0 0 "[ . 1 . 2 . 3]" 1 439 1 28 LEU QD 1 29 PHE H 3.500 . 4.300 3.651 3.542 3.732 . 0 0 "[ . 1 . 2 . 3]" 1 440 1 29 PHE H 1 44 THR MG 2.800 . 3.800 3.575 2.358 3.755 . 0 0 "[ . 1 . 2 . 3]" 1 441 1 28 LEU HB2 1 29 PHE H 2.900 . 4.000 2.327 2.129 2.494 . 0 0 "[ . 1 . 2 . 3]" 1 442 1 28 LEU HB3 1 29 PHE H 2.500 . 3.300 2.314 2.068 2.507 . 0 0 "[ . 1 . 2 . 3]" 1 443 1 31 LEU H 1 32 ILE H 2.300 . 3.000 2.614 2.567 2.646 . 0 0 "[ . 1 . 2 . 3]" 1 444 1 31 LEU H 1 33 GLN H 2.900 . 4.000 3.557 3.499 3.645 . 0 0 "[ . 1 . 2 . 3]" 1 445 1 28 LEU HA 1 31 LEU H 3.200 . 4.500 3.888 3.723 4.065 . 0 0 "[ . 1 . 2 . 3]" 1 446 1 29 PHE HA 1 31 LEU H 3.000 . 5.500 4.617 4.529 4.699 . 0 0 "[ . 1 . 2 . 3]" 1 447 1 8 THR MG 1 31 LEU H 3.700 . 5.400 4.880 4.531 5.184 . 0 0 "[ . 1 . 2 . 3]" 1 448 1 81 ALA H 1 82 LYS H 2.400 . 3.100 2.779 2.533 3.021 . 0 0 "[ . 1 . 2 . 3]" 1 449 1 82 LYS H 1 83 GLU H 2.400 . 3.100 2.521 2.380 2.759 . 0 0 "[ . 1 . 2 . 3]" 1 450 1 81 ALA HA 1 82 LYS H 2.900 . 4.000 3.566 3.526 3.581 . 0 0 "[ . 1 . 2 . 3]" 1 451 1 79 HIS HA 1 82 LYS H 3.000 . 5.500 4.213 3.506 5.259 . 0 0 "[ . 1 . 2 . 3]" 1 452 1 81 ALA MB 1 82 LYS H 2.400 . 3.100 2.184 1.794 2.672 . 0 0 "[ . 1 . 2 . 3]" 1 453 1 33 GLN H 1 34 ALA H 2.500 . 3.300 2.488 2.393 2.548 . 0 0 "[ . 1 . 2 . 3]" 1 454 1 29 PHE QD 1 33 GLN H 4.200 . 5.500 4.098 3.783 4.272 . 0 0 "[ . 1 . 2 . 3]" 1 455 1 32 ILE H 1 33 GLN H 2.500 . 3.300 2.458 2.394 2.504 . 0 0 "[ . 1 . 2 . 3]" 1 456 1 33 GLN H 1 36 HIS H 4.000 . 5.500 4.939 4.629 5.024 . 0 0 "[ . 1 . 2 . 3]" 1 457 1 32 ILE HA 1 33 GLN H 3.100 . 4.300 3.377 3.364 3.417 . 0 0 "[ . 1 . 2 . 3]" 1 458 1 31 LEU HA 1 33 GLN H 3.500 . 5.000 3.791 3.703 3.911 . 0 0 "[ . 1 . 2 . 3]" 1 459 1 29 PHE HA 1 33 GLN H 2.600 . 5.500 4.113 4.016 4.249 . 0 0 "[ . 1 . 2 . 3]" 1 460 1 33 GLN H 1 40 ALA MB 2.600 . 5.500 3.506 3.351 3.742 . 0 0 "[ . 1 . 2 . 3]" 1 461 1 8 THR MG 1 33 GLN H 2.300 . 5.500 4.267 4.092 4.408 . 0 0 "[ . 1 . 2 . 3]" 1 462 1 31 LEU HB2 1 33 GLN H 4.400 . 5.500 4.589 4.500 4.703 . 0 0 "[ . 1 . 2 . 3]" 1 463 1 32 ILE HB 1 33 GLN H 2.500 . 5.500 3.411 3.235 3.476 . 0 0 "[ . 1 . 2 . 3]" 1 464 1 31 LEU HG 1 33 GLN H 3.400 . 4.800 4.824 4.694 4.871 0.071 26 0 "[ . 1 . 2 . 3]" 1 465 1 34 ALA H 1 35 MET H 2.300 . 3.000 2.384 2.274 2.451 . 0 0 "[ . 1 . 2 . 3]" 1 466 1 34 ALA H 1 36 HIS H 3.000 . 4.100 3.967 3.690 4.086 . 0 0 "[ . 1 . 2 . 3]" 1 467 1 33 GLN HA 1 34 ALA H 2.800 . 3.800 3.499 3.461 3.525 . 0 0 "[ . 1 . 2 . 3]" 1 468 1 32 ILE HA 1 34 ALA H 3.300 . 4.700 3.861 3.693 3.983 . 0 0 "[ . 1 . 2 . 3]" 1 469 1 34 ALA H 1 40 ALA MB 3.300 . 4.700 4.717 4.652 4.768 0.068 28 0 "[ . 1 . 2 . 3]" 1 470 1 8 THR MG 1 34 ALA H 2.800 . 5.500 5.546 5.366 5.596 0.096 26 0 "[ . 1 . 2 . 3]" 1 471 1 32 ILE HB 1 34 ALA H 4.000 . 5.500 5.227 5.017 5.340 . 0 0 "[ . 1 . 2 . 3]" 1 472 1 33 GLN HB3 1 34 ALA H 2.500 . 3.300 2.699 2.594 2.935 . 0 0 "[ . 1 . 2 . 3]" 1 473 1 33 GLN QG 1 34 ALA H 2.900 . 4.000 3.603 3.282 3.816 . 0 0 "[ . 1 . 2 . 3]" 1 474 1 35 MET H 1 36 HIS H 2.200 . 2.800 2.640 2.187 2.726 . 0 0 "[ . 1 . 2 . 3]" 1 475 1 33 GLN H 1 35 MET H 3.700 . 5.400 3.608 3.565 3.673 . 0 0 "[ . 1 . 2 . 3]" 1 476 1 33 GLN HA 1 35 MET H 3.400 . 4.800 3.983 3.801 4.075 . 0 0 "[ . 1 . 2 . 3]" 1 477 1 32 ILE HA 1 35 MET H 3.000 . 4.100 2.691 2.609 2.809 . 0 0 "[ . 1 . 2 . 3]" 1 478 1 34 ALA HA 1 35 MET H 2.900 . 4.000 3.467 3.420 3.485 . 0 0 "[ . 1 . 2 . 3]" 1 479 1 32 ILE MG 1 35 MET H 3.400 . 4.800 3.818 3.762 3.936 . 0 0 "[ . 1 . 2 . 3]" 1 480 1 35 MET H 1 40 ALA MB 3.700 . 5.400 4.129 4.015 4.343 . 0 0 "[ . 1 . 2 . 3]" 1 481 1 34 ALA MB 1 35 MET H 2.500 . 3.300 2.790 2.691 3.015 . 0 0 "[ . 1 . 2 . 3]" 1 482 1 35 MET H 1 35 MET ME 3.500 . 5.000 3.872 3.676 4.363 . 0 0 "[ . 1 . 2 . 3]" 1 483 1 33 GLN HA 1 36 HIS H 3.100 . 4.300 3.503 3.146 3.623 . 0 0 "[ . 1 . 2 . 3]" 1 484 1 32 ILE HA 1 36 HIS H 3.500 . 5.000 4.682 4.361 4.739 . 0 0 "[ . 1 . 2 . 3]" 1 485 1 34 ALA HA 1 36 HIS H 4.300 . 5.500 3.635 3.551 3.710 . 0 0 "[ . 1 . 2 . 3]" 1 486 1 35 MET HA 1 36 HIS H 3.200 . 4.500 2.994 2.941 3.268 . 0 0 "[ . 1 . 2 . 3]" 1 487 1 32 ILE MG 1 36 HIS H 3.400 . 4.800 4.534 4.441 4.805 0.005 28 0 "[ . 1 . 2 . 3]" 1 488 1 36 HIS H 1 40 ALA MB 3.400 . 4.800 3.693 3.469 4.203 . 0 0 "[ . 1 . 2 . 3]" 1 489 1 34 ALA MB 1 36 HIS H 3.500 . 5.000 4.282 4.207 4.319 . 0 0 "[ . 1 . 2 . 3]" 1 490 1 35 MET HB3 1 36 HIS H 2.900 . 5.500 4.524 4.397 4.555 . 0 0 "[ . 1 . 2 . 3]" 1 491 1 35 MET HB2 1 36 HIS H 2.600 . 5.500 3.963 3.486 4.032 . 0 0 "[ . 1 . 2 . 3]" 1 492 1 35 MET HG3 1 36 HIS H 3.500 . 5.000 4.617 4.465 4.797 . 0 0 "[ . 1 . 2 . 3]" 1 493 1 36 HIS HA 1 38 THR H 4.100 . 5.500 3.468 1.861 3.679 0.139 29 0 "[ . 1 . 2 . 3]" 1 494 1 35 MET HB2 1 38 THR H 2.900 . 5.500 5.150 5.015 5.278 . 0 0 "[ . 1 . 2 . 3]" 1 495 1 39 LEU H 1 40 ALA H 2.300 . 3.000 2.541 1.771 2.810 . 0 0 "[ . 1 . 2 . 3]" 1 496 1 38 THR H 1 40 ALA H 3.300 . 4.700 4.175 3.077 4.423 . 0 0 "[ . 1 . 2 . 3]" 1 497 1 40 ALA H 1 41 GLY H 3.200 . 4.500 3.136 2.750 4.623 0.123 13 0 "[ . 1 . 2 . 3]" 1 498 1 36 HIS HB2 1 40 ALA H 3.400 . 4.800 3.419 3.141 3.824 . 0 0 "[ . 1 . 2 . 3]" 1 499 1 33 GLN HA 1 40 ALA H 3.200 . 5.500 5.086 4.921 5.326 . 0 0 "[ . 1 . 2 . 3]" 1 500 1 38 THR HB 1 40 ALA H 3.100 . 5.500 3.994 3.472 4.398 . 0 0 "[ . 1 . 2 . 3]" 1 501 1 40 ALA H 1 43 ILE MD 3.500 . 5.000 3.310 2.701 4.244 . 0 0 "[ . 1 . 2 . 3]" 1 502 1 38 THR MG 1 40 ALA H 3.800 . 5.500 4.881 3.995 5.520 0.020 21 0 "[ . 1 . 2 . 3]" 1 503 1 35 MET HB2 1 40 ALA H 3.400 . 5.500 5.542 5.494 5.583 0.083 28 0 "[ . 1 . 2 . 3]" 1 504 1 36 HIS HB3 1 40 ALA H 3.500 . 5.000 4.537 4.320 4.867 . 0 0 "[ . 1 . 2 . 3]" 1 505 1 29 PHE QD 1 41 GLY H 3.800 . 5.000 4.958 3.771 5.092 0.092 1 0 "[ . 1 . 2 . 3]" 1 506 1 29 PHE QE 1 41 GLY H 2.900 . 4.000 3.491 3.204 4.078 0.078 26 0 "[ . 1 . 2 . 3]" 1 507 1 41 GLY H 1 42 LYS H 2.800 . 5.500 3.182 2.727 4.232 . 0 0 "[ . 1 . 2 . 3]" 1 508 1 40 ALA HA 1 41 GLY H 3.500 . 5.000 3.373 2.134 3.552 . 0 0 "[ . 1 . 2 . 3]" 1 509 1 40 ALA MB 1 41 GLY H 2.800 . 3.800 2.665 1.969 3.381 . 0 0 "[ . 1 . 2 . 3]" 1 510 1 29 PHE QE 1 42 LYS H 4.700 . 5.500 5.534 5.347 5.586 0.086 30 0 "[ . 1 . 2 . 3]" 1 511 1 29 PHE HZ 1 42 LYS H 4.500 . 5.500 5.469 5.281 5.535 0.035 22 0 "[ . 1 . 2 . 3]" 1 512 1 42 LYS H 1 45 GLY H 5.000 . 5.500 5.097 4.820 5.373 . 0 0 "[ . 1 . 2 . 3]" 1 513 1 42 LYS H 1 43 ILE H 2.800 . 5.500 2.526 2.381 2.848 . 0 0 "[ . 1 . 2 . 3]" 1 514 1 41 GLY QA 1 42 LYS H 2.600 . 3.400 2.536 2.145 2.672 . 0 0 "[ . 1 . 2 . 3]" 1 515 1 40 ALA HA 1 42 LYS H 4.500 . 5.500 4.717 4.175 5.249 . 0 0 "[ . 1 . 2 . 3]" 1 516 1 39 LEU MD2 1 42 LYS H 4.600 . 5.500 3.661 2.026 6.239 0.739 23 1 "[ . 1 . 2 + . 3]" 1 517 1 42 LYS H 1 76 LEU QD 4.000 . 5.500 3.557 2.851 4.268 . 0 0 "[ . 1 . 2 . 3]" 1 518 1 40 ALA MB 1 42 LYS H 4.500 . 5.500 4.973 4.721 5.386 . 0 0 "[ . 1 . 2 . 3]" 1 519 1 41 GLY H 1 43 ILE H 4.400 . 5.500 4.121 2.574 4.548 . 0 0 "[ . 1 . 2 . 3]" 1 520 1 43 ILE H 1 44 THR H 2.600 . 3.400 2.954 2.835 3.008 . 0 0 "[ . 1 . 2 . 3]" 1 521 1 43 ILE H 1 45 GLY H 4.200 . 5.500 4.231 4.057 4.417 . 0 0 "[ . 1 . 2 . 3]" 1 522 1 40 ALA HA 1 43 ILE H 3.000 . 4.100 3.663 3.432 4.040 . 0 0 "[ . 1 . 2 . 3]" 1 523 1 42 LYS HA 1 43 ILE H 3.200 . 4.500 3.510 3.443 3.564 . 0 0 "[ . 1 . 2 . 3]" 1 524 1 41 GLY QA 1 43 ILE H 3.200 . 4.500 4.112 3.569 4.383 . 0 0 "[ . 1 . 2 . 3]" 1 525 1 32 ILE MD 1 43 ILE H 3.200 . 4.500 4.088 3.873 4.266 . 0 0 "[ . 1 . 2 . 3]" 1 526 1 40 ALA MB 1 43 ILE H 3.700 . 5.400 4.780 4.597 5.296 . 0 0 "[ . 1 . 2 . 3]" 1 527 1 42 LYS QG 1 43 ILE H 3.000 . 5.500 4.094 3.770 4.480 . 0 0 "[ . 1 . 2 . 3]" 1 528 1 42 LYS QD 1 43 ILE H 3.200 . 4.500 4.331 4.186 4.445 . 0 0 "[ . 1 . 2 . 3]" 1 529 1 42 LYS HB3 1 43 ILE H 2.300 . 5.500 2.832 2.660 3.084 . 0 0 "[ . 1 . 2 . 3]" 1 530 1 29 PHE QD 1 44 THR H 3.400 . 5.500 5.200 5.032 5.494 . 0 0 "[ . 1 . 2 . 3]" 1 531 1 44 THR H 1 45 GLY H 2.700 . 3.600 2.835 2.728 2.960 . 0 0 "[ . 1 . 2 . 3]" 1 532 1 44 THR H 1 46 MET H 3.800 . 5.500 4.869 4.384 5.144 . 0 0 "[ . 1 . 2 . 3]" 1 533 1 43 ILE HA 1 44 THR H 3.000 . 4.100 3.577 3.545 3.593 . 0 0 "[ . 1 . 2 . 3]" 1 534 1 40 ALA HA 1 44 THR H 3.100 . 5.500 3.832 3.558 4.888 . 0 0 "[ . 1 . 2 . 3]" 1 535 1 42 LYS HA 1 44 THR H 4.200 . 5.500 4.639 4.196 4.846 . 0 0 "[ . 1 . 2 . 3]" 1 536 1 29 PHE HA 1 44 THR H 3.800 . 5.500 4.419 4.159 4.734 . 0 0 "[ . 1 . 2 . 3]" 1 537 1 41 GLY HA2 1 44 THR H 2.300 . 5.500 4.511 4.165 4.677 . 0 0 "[ . 1 . 2 . 3]" 1 538 1 43 ILE MD 1 44 THR H 3.400 . 4.800 4.288 3.990 4.511 . 0 0 "[ . 1 . 2 . 3]" 1 539 1 28 LEU QD 1 44 THR H 3.700 . 5.400 3.756 3.478 4.066 . 0 0 "[ . 1 . 2 . 3]" 1 540 1 32 ILE MD 1 44 THR H 2.900 . 4.000 2.443 2.274 2.782 . 0 0 "[ . 1 . 2 . 3]" 1 541 1 40 ALA MB 1 44 THR H 3.500 . 5.000 4.330 4.125 5.010 0.010 26 0 "[ . 1 . 2 . 3]" 1 542 1 28 LEU HB2 1 44 THR H 4.200 . 5.500 5.573 5.524 5.648 0.148 24 0 "[ . 1 . 2 . 3]" 1 543 1 43 ILE HB 1 44 THR H 2.400 . 3.100 2.279 2.078 2.469 . 0 0 "[ . 1 . 2 . 3]" 1 544 1 42 LYS QB 1 44 THR H 3.600 . 5.200 5.156 5.005 5.250 0.050 26 0 "[ . 1 . 2 . 3]" 1 545 1 45 GLY H 2 13 PHE QD 4.000 . 5.500 4.153 3.485 4.540 . 0 0 "[ . 1 . 2 . 3]" 1 546 1 29 PHE QD 1 45 GLY H 4.700 . 5.500 5.550 5.391 5.595 0.095 14 0 "[ . 1 . 2 . 3]" 1 547 1 45 GLY H 2 13 PHE H 3.000 . 5.500 4.604 4.166 4.911 . 0 0 "[ . 1 . 2 . 3]" 1 548 1 45 GLY H 1 47 LEU H 3.800 . 5.500 4.582 4.351 5.171 . 0 0 "[ . 1 . 2 . 3]" 1 549 1 45 GLY H 1 46 MET QG 3.800 . 5.500 3.873 3.730 4.124 . 0 0 "[ . 1 . 2 . 3]" 1 550 1 44 THR HB 1 45 GLY H 3.300 . 4.700 3.785 2.580 3.888 . 0 0 "[ . 1 . 2 . 3]" 1 551 1 42 LYS HA 1 45 GLY H 3.100 . 4.300 3.454 3.272 3.581 . 0 0 "[ . 1 . 2 . 3]" 1 552 1 44 THR HA 1 45 GLY H 3.100 . 4.300 3.538 3.509 3.557 . 0 0 "[ . 1 . 2 . 3]" 1 553 1 28 LEU QD 1 45 GLY H 4.400 . 5.500 4.501 4.188 4.853 . 0 0 "[ . 1 . 2 . 3]" 1 554 1 44 THR MG 1 45 GLY H 2.900 . 4.000 1.892 1.786 2.756 0.014 23 0 "[ . 1 . 2 . 3]" 1 555 1 42 LYS QD 1 45 GLY H 4.000 . 5.500 3.745 3.271 3.958 . 0 0 "[ . 1 . 2 . 3]" 1 556 1 42 LYS QB 1 45 GLY H 3.900 . 5.500 5.059 4.898 5.194 . 0 0 "[ . 1 . 2 . 3]" 1 557 1 45 GLY H 1 46 MET H 2.600 . 3.400 3.150 2.909 3.307 . 0 0 "[ . 1 . 2 . 3]" 1 558 1 56 LEU H 1 58 MET H 3.400 . 4.800 4.051 3.852 4.279 . 0 0 "[ . 1 . 2 . 3]" 1 559 1 45 GLY QA 1 46 MET H 2.700 . 3.600 2.491 2.397 2.693 . 0 0 "[ . 1 . 2 . 3]" 1 560 1 54 GLU HA 1 58 MET H 3.300 . 4.700 4.380 4.123 4.699 . 0 0 "[ . 1 . 2 . 3]" 1 561 1 55 LEU HA 1 58 MET H 3.000 . 4.100 3.478 3.270 3.627 . 0 0 "[ . 1 . 2 . 3]" 1 562 1 42 LYS HA 1 46 MET H 3.300 . 5.500 4.411 4.165 4.916 . 0 0 "[ . 1 . 2 . 3]" 1 563 1 57 HIS HB2 1 58 MET H 2.700 . 5.500 3.433 2.884 4.008 . 0 0 "[ . 1 . 2 . 3]" 1 564 1 57 HIS HB3 1 58 MET H 3.000 . 4.100 3.209 2.642 3.890 . 0 0 "[ . 1 . 2 . 3]" 1 565 1 28 LEU QD 1 46 MET H 4.000 . 5.500 5.039 4.378 5.360 . 0 0 "[ . 1 . 2 . 3]" 1 566 1 55 LEU HB2 1 58 MET H 4.700 . 5.500 5.325 5.103 5.474 . 0 0 "[ . 1 . 2 . 3]" 1 567 1 56 LEU QB 1 58 MET H 3.500 . 5.000 4.579 4.303 4.744 . 0 0 "[ . 1 . 2 . 3]" 1 568 1 42 LYS QD 1 46 MET H 3.500 . 4.500 3.409 3.066 3.842 . 0 0 "[ . 1 . 2 . 3]" 1 569 1 47 LEU H 1 49 GLU H 4.200 . 5.500 4.621 4.345 4.904 . 0 0 "[ . 1 . 2 . 3]" 1 570 1 46 MET QG 1 47 LEU H 3.100 . 4.300 2.675 1.969 3.339 0.031 22 0 "[ . 1 . 2 . 3]" 1 571 1 45 GLY QA 1 47 LEU H 4.100 . 5.500 4.361 4.134 4.810 . 0 0 "[ . 1 . 2 . 3]" 1 572 1 47 LEU H 1 72 ALA MB 3.500 . 5.500 4.893 4.324 5.463 . 0 0 "[ . 1 . 2 . 3]" 1 573 1 46 MET QB 1 47 LEU H 2.600 . 3.400 2.690 1.789 3.080 0.011 9 0 "[ . 1 . 2 . 3]" 1 574 1 48 LEU H 1 49 GLU H 2.600 . 3.400 2.581 2.467 2.668 . 0 0 "[ . 1 . 2 . 3]" 1 575 1 46 MET H 1 48 LEU H 3.000 . 4.100 3.974 3.660 4.108 0.008 13 0 "[ . 1 . 2 . 3]" 1 576 1 47 LEU H 1 48 LEU H 2.400 . 3.100 2.730 2.557 2.882 . 0 0 "[ . 1 . 2 . 3]" 1 577 1 45 GLY QA 1 48 LEU H 3.100 . 4.300 3.672 3.461 3.890 . 0 0 "[ . 1 . 2 . 3]" 1 578 1 47 LEU HB2 1 48 LEU H 2.900 . 4.000 3.748 3.599 3.950 . 0 0 "[ . 1 . 2 . 3]" 1 579 1 47 LEU HB3 1 48 LEU H 2.700 . 5.500 4.305 4.161 4.398 . 0 0 "[ . 1 . 2 . 3]" 1 580 1 49 GLU H 1 50 ILE H 2.400 . 5.500 2.809 2.676 3.016 . 0 0 "[ . 1 . 2 . 3]" 1 581 1 47 LEU HA 1 49 GLU H 2.900 . 4.000 3.140 2.807 3.531 . 0 0 "[ . 1 . 2 . 3]" 1 582 1 48 LEU HA 1 49 GLU H 2.800 . 3.800 3.369 3.238 3.496 . 0 0 "[ . 1 . 2 . 3]" 1 583 1 48 LEU QD 1 49 GLU H 4.000 . 5.400 4.032 3.923 4.407 . 0 0 "[ . 1 . 2 . 3]" 1 584 1 28 LEU QD 1 49 GLU H 3.400 . 4.800 4.307 3.979 4.549 . 0 0 "[ . 1 . 2 . 3]" 1 585 1 49 GLU H 2 11 LYS QG 3.600 . 5.200 5.218 4.588 5.272 0.072 8 0 "[ . 1 . 2 . 3]" 1 586 1 48 LEU HB2 1 49 GLU H 3.100 . 4.300 3.806 3.477 3.972 . 0 0 "[ . 1 . 2 . 3]" 1 587 1 47 LEU HB3 1 49 GLU H 3.800 . 5.500 4.743 4.382 5.127 . 0 0 "[ . 1 . 2 . 3]" 1 588 1 48 LEU HB3 1 49 GLU H 3.100 . 4.300 3.404 3.041 3.708 . 0 0 "[ . 1 . 2 . 3]" 1 589 1 50 ILE H 1 51 ASP H 3.100 . 5.500 4.593 4.549 4.609 . 0 0 "[ . 1 . 2 . 3]" 1 590 1 48 LEU H 1 50 ILE H 3.200 . 4.500 4.433 4.286 4.549 0.049 29 0 "[ . 1 . 2 . 3]" 1 591 1 47 LEU HA 1 50 ILE H 3.200 . 4.500 4.501 4.396 4.557 0.057 24 0 "[ . 1 . 2 . 3]" 1 592 1 49 GLU HA 1 50 ILE H 2.800 . 3.800 3.048 2.939 3.111 . 0 0 "[ . 1 . 2 . 3]" 1 593 1 48 LEU QD 1 50 ILE H 4.700 . 5.500 3.674 3.541 4.373 . 0 0 "[ . 1 . 2 . 3]" 1 594 1 28 LEU QD 1 50 ILE H 3.800 . 4.700 3.474 3.298 3.697 . 0 0 "[ . 1 . 2 . 3]" 1 595 1 31 LEU QD 1 32 ILE H 3.200 . 4.500 3.083 2.505 3.279 . 0 0 "[ . 1 . 2 . 3]" 1 596 1 47 LEU HB3 1 50 ILE H 3.500 . 5.000 4.776 4.558 4.914 . 0 0 "[ . 1 . 2 . 3]" 1 597 1 48 LEU HB3 1 50 ILE H 2.700 . 5.500 4.627 4.389 4.891 . 0 0 "[ . 1 . 2 . 3]" 1 598 1 49 GLU HB2 1 50 ILE H 3.500 . 5.000 3.924 3.819 4.326 . 0 0 "[ . 1 . 2 . 3]" 1 599 1 49 GLU HB3 1 50 ILE H 3.200 . 4.500 4.410 4.305 4.657 0.157 21 0 "[ . 1 . 2 . 3]" 1 600 1 26 GLU QG 1 50 ILE H 3.400 . 4.800 4.191 3.601 4.515 . 0 0 "[ . 1 . 2 . 3]" 1 601 1 51 ASP H 1 52 ASN H 3.500 . 5.000 4.620 4.523 4.633 . 0 0 "[ . 1 . 2 . 3]" 1 602 1 50 ILE HA 1 51 ASP H 2.100 . 2.700 2.413 2.335 2.590 . 0 0 "[ . 1 . 2 . 3]" 1 603 1 50 ILE MD 1 51 ASP H 3.000 . 4.100 3.908 3.490 4.114 0.014 26 0 "[ . 1 . 2 . 3]" 1 604 1 50 ILE MG 1 51 ASP H 2.400 . 3.100 2.545 2.311 2.729 . 0 0 "[ . 1 . 2 . 3]" 1 605 1 50 ILE HG13 1 51 ASP H 3.200 . 4.500 3.173 2.788 3.609 . 0 0 "[ . 1 . 2 . 3]" 1 606 1 50 ILE HG12 1 51 ASP H 2.800 . 3.800 2.270 1.787 2.584 0.013 29 0 "[ . 1 . 2 . 3]" 1 607 1 51 ASP H 1 54 GLU QB . . 3.600 3.251 2.920 3.526 . 0 0 "[ . 1 . 2 . 3]" 1 608 1 51 ASP H 1 54 GLU QG 3.700 . 5.400 3.098 2.011 3.998 . 0 0 "[ . 1 . 2 . 3]" 1 609 1 52 ASN H 1 54 GLU H 3.900 . 5.500 3.716 3.587 3.915 . 0 0 "[ . 1 . 2 . 3]" 1 610 1 51 ASP HB2 1 52 ASN H 3.000 . 5.500 3.951 3.847 4.393 . 0 0 "[ . 1 . 2 . 3]" 1 611 1 51 ASP HB3 1 52 ASN H 3.000 . 4.100 2.657 2.499 3.412 . 0 0 "[ . 1 . 2 . 3]" 1 612 1 52 ASN H 1 55 LEU QD 3.400 . 4.800 4.214 4.131 4.343 . 0 0 "[ . 1 . 2 . 3]" 1 613 1 50 ILE MG 1 52 ASN H 4.700 . 5.500 4.589 4.177 4.689 . 0 0 "[ . 1 . 2 . 3]" 1 614 1 52 ASN H 1 55 LEU HB3 4.200 . 5.500 4.893 4.794 4.941 . 0 0 "[ . 1 . 2 . 3]" 1 615 1 53 SER H 1 54 GLU H 2.300 . 3.000 2.364 2.316 2.423 . 0 0 "[ . 1 . 2 . 3]" 1 616 1 51 ASP H 1 53 SER H 4.200 . 5.500 5.497 5.239 5.547 0.047 11 0 "[ . 1 . 2 . 3]" 1 617 1 53 SER H 1 55 LEU H 3.300 . 4.700 3.764 3.641 3.822 . 0 0 "[ . 1 . 2 . 3]" 1 618 1 52 ASN HB2 1 53 SER H 2.800 . 3.800 3.164 3.022 3.789 . 0 0 "[ . 1 . 2 . 3]" 1 619 1 51 ASP HB3 1 53 SER H 2.700 . 3.600 2.431 2.204 2.763 . 0 0 "[ . 1 . 2 . 3]" 1 620 1 51 ASP HB2 1 53 SER H 3.100 . 4.300 3.952 3.612 4.303 0.003 29 0 "[ . 1 . 2 . 3]" 1 621 1 52 ASN HB3 1 53 SER H 2.600 . 5.500 3.496 2.884 3.723 . 0 0 "[ . 1 . 2 . 3]" 1 622 1 50 ILE MG 1 53 SER H 4.000 . 5.500 5.393 5.138 5.518 0.018 7 0 "[ . 1 . 2 . 3]" 1 623 1 51 ASP H 1 54 GLU H 3.600 . 5.200 4.508 4.329 4.609 . 0 0 "[ . 1 . 2 . 3]" 1 624 1 54 GLU H 1 55 LEU H 2.300 . 3.000 2.416 2.360 2.472 . 0 0 "[ . 1 . 2 . 3]" 1 625 1 54 GLU H 1 56 LEU H 3.200 . 4.500 4.343 4.263 4.424 . 0 0 "[ . 1 . 2 . 3]" 1 626 1 51 ASP HB3 1 54 GLU H 2.700 . 5.500 2.294 1.995 2.489 . 0 0 "[ . 1 . 2 . 3]" 1 627 1 51 ASP HB2 1 54 GLU H 2.900 . 4.000 2.740 2.541 2.845 . 0 0 "[ . 1 . 2 . 3]" 1 628 1 52 ASN HB2 1 54 GLU H 5.100 . 5.500 5.166 5.033 5.555 0.055 29 0 "[ . 1 . 2 . 3]" 1 629 1 52 ASN HB3 1 54 GLU H 4.000 . 5.500 5.286 4.962 5.513 0.013 26 0 "[ . 1 . 2 . 3]" 1 630 1 53 SER QB 1 54 GLU H 2.500 . 3.300 2.847 2.690 3.035 . 0 0 "[ . 1 . 2 . 3]" 1 631 1 53 SER HA 1 54 GLU H 2.700 . 3.600 3.481 3.462 3.508 . 0 0 "[ . 1 . 2 . 3]" 1 632 1 50 ILE MG 1 54 GLU H 3.000 . 5.500 4.477 4.238 4.651 . 0 0 "[ . 1 . 2 . 3]" 1 633 1 53 SER QB 1 55 LEU H 3.600 . 5.200 4.666 4.460 4.836 . 0 0 "[ . 1 . 2 . 3]" 1 634 1 53 SER HA 1 55 LEU H 3.700 . 5.400 4.122 3.989 4.198 . 0 0 "[ . 1 . 2 . 3]" 1 635 1 52 ASN HA 1 55 LEU H 2.700 . 3.600 3.173 3.105 3.258 . 0 0 "[ . 1 . 2 . 3]" 1 636 1 50 ILE MG 1 55 LEU H 3.100 . 4.300 3.657 3.499 3.848 . 0 0 "[ . 1 . 2 . 3]" 1 637 1 27 ARG HB3 1 55 LEU H 3.900 . 5.500 5.582 5.261 6.060 0.560 30 1 "[ . 1 . 2 . +]" 1 638 1 54 GLU QB 1 55 LEU H 2.800 . 3.800 3.138 2.821 3.554 . 0 0 "[ . 1 . 2 . 3]" 1 639 1 54 GLU QG 1 55 LEU H 3.900 . 5.500 3.503 2.125 4.464 . 0 0 "[ . 1 . 2 . 3]" 1 640 1 52 ASN HB2 1 55 LEU H 4.300 . 5.500 5.465 5.413 5.526 0.026 6 0 "[ . 1 . 2 . 3]" 1 641 1 56 LEU H 1 57 HIS H 2.600 . 3.400 2.740 2.643 2.856 . 0 0 "[ . 1 . 2 . 3]" 1 642 1 55 LEU H 1 56 LEU H 2.600 . 3.400 2.727 2.637 2.779 . 0 0 "[ . 1 . 2 . 3]" 1 643 1 53 SER H 1 56 LEU H 3.700 . 5.400 5.142 5.064 5.224 . 0 0 "[ . 1 . 2 . 3]" 1 644 1 31 LEU QD 1 66 ARG H 3.900 . 5.500 4.868 4.621 5.046 . 0 0 "[ . 1 . 2 . 3]" 1 645 1 55 LEU HB2 1 56 LEU H 2.800 . 3.800 3.874 3.845 3.898 0.098 24 0 "[ . 1 . 2 . 3]" 1 646 1 55 LEU HB3 1 56 LEU H 2.900 . 4.000 3.540 3.466 3.595 . 0 0 "[ . 1 . 2 . 3]" 1 647 1 55 LEU H 1 57 HIS H 3.400 . 4.800 4.139 3.970 4.319 . 0 0 "[ . 1 . 2 . 3]" 1 648 1 57 HIS H 1 58 MET H 2.400 . 3.100 2.687 2.578 2.822 . 0 0 "[ . 1 . 2 . 3]" 1 649 1 56 LEU HA 1 57 HIS H 2.800 . 3.800 3.543 3.514 3.563 . 0 0 "[ . 1 . 2 . 3]" 1 650 1 53 SER HA 1 57 HIS H 3.300 . 5.500 4.794 4.696 4.911 . 0 0 "[ . 1 . 2 . 3]" 1 651 1 55 LEU HA 1 57 HIS H 3.600 . 5.200 4.483 4.293 4.659 . 0 0 "[ . 1 . 2 . 3]" 1 652 1 54 GLU HA 1 57 HIS H 2.600 . 3.400 3.288 3.140 3.418 0.018 20 0 "[ . 1 . 2 . 3]" 1 653 1 56 LEU MD2 1 57 HIS H 3.200 . 4.500 4.024 3.000 4.561 0.061 1 0 "[ . 1 . 2 . 3]" 1 654 1 56 LEU MD1 1 57 HIS H 3.200 . 4.500 3.950 2.362 4.561 0.061 19 0 "[ . 1 . 2 . 3]" 1 655 1 56 LEU QB 1 57 HIS H 2.900 . 4.000 2.608 2.308 3.386 . 0 0 "[ . 1 . 2 . 3]" 1 656 1 54 GLU QG 1 57 HIS H 4.800 . 5.500 5.186 4.724 5.306 . 0 0 "[ . 1 . 2 . 3]" 1 657 1 55 LEU HG 1 57 HIS H 3.200 . 5.500 4.509 4.377 4.636 . 0 0 "[ . 1 . 2 . 3]" 1 658 1 58 MET H 1 59 LEU H 2.600 . 3.400 2.705 2.548 2.918 . 0 0 "[ . 1 . 2 . 3]" 1 659 1 58 MET HA 1 59 LEU H 3.100 . 4.300 3.560 3.507 3.607 . 0 0 "[ . 1 . 2 . 3]" 1 660 1 55 LEU HA 1 59 LEU H 3.400 . 4.800 4.583 4.257 4.842 0.042 19 0 "[ . 1 . 2 . 3]" 1 661 1 57 HIS HA 1 59 LEU H 3.500 . 5.000 4.624 4.197 5.053 0.053 20 0 "[ . 1 . 2 . 3]" 1 662 1 31 LEU QD 1 59 LEU H 4.000 . 5.500 3.624 3.229 4.020 . 0 0 "[ . 1 . 2 . 3]" 1 663 1 58 MET HB2 1 59 LEU H 2.500 . 3.300 2.511 2.326 2.714 . 0 0 "[ . 1 . 2 . 3]" 1 664 1 58 MET QG 1 59 LEU H 3.300 . 4.700 4.192 3.956 4.384 . 0 0 "[ . 1 . 2 . 3]" 1 665 1 59 LEU H 1 60 GLU H 2.300 . 3.000 2.588 2.479 2.665 . 0 0 "[ . 1 . 2 . 3]" 1 666 1 58 MET H 1 60 GLU H 3.500 . 5.000 3.748 3.502 4.014 . 0 0 "[ . 1 . 2 . 3]" 1 667 1 57 HIS HB3 1 60 GLU H 4.200 . 5.500 5.175 4.828 5.467 . 0 0 "[ . 1 . 2 . 3]" 1 668 1 58 MET HA 1 60 GLU H 3.100 . 4.300 3.809 3.612 3.993 . 0 0 "[ . 1 . 2 . 3]" 1 669 1 59 LEU HA 1 60 GLU H 2.700 . 3.600 3.380 3.269 3.460 . 0 0 "[ . 1 . 2 . 3]" 1 670 1 57 HIS HA 1 60 GLU H 2.800 . 5.500 3.497 3.231 3.811 . 0 0 "[ . 1 . 2 . 3]" 1 671 1 59 LEU QD 1 60 GLU H 3.200 . 4.500 3.497 2.095 4.239 . 0 0 "[ . 1 . 2 . 3]" 1 672 1 59 LEU QB 1 60 GLU H 2.800 . 5.500 3.304 2.900 3.844 . 0 0 "[ . 1 . 2 . 3]" 1 673 1 59 LEU H 1 61 SER H 3.000 . 4.100 3.978 3.859 4.074 . 0 0 "[ . 1 . 2 . 3]" 1 674 1 61 SER H 1 64 SER H 3.800 . 5.500 5.506 5.424 5.545 0.045 3 0 "[ . 1 . 2 . 3]" 1 675 1 61 SER H 1 65 LEU H 3.800 . 5.500 4.520 4.351 4.871 . 0 0 "[ . 1 . 2 . 3]" 1 676 1 58 MET H 1 61 SER H 4.200 . 5.500 4.666 4.401 4.855 . 0 0 "[ . 1 . 2 . 3]" 1 677 1 58 MET HA 1 61 SER H 2.600 . 3.400 3.251 3.143 3.419 0.019 29 0 "[ . 1 . 2 . 3]" 1 678 1 60 GLU HA 1 61 SER H 2.600 . 3.400 3.326 3.231 3.413 0.013 23 0 "[ . 1 . 2 . 3]" 1 679 1 57 HIS HA 1 61 SER H 3.400 . 4.800 4.540 4.259 4.721 . 0 0 "[ . 1 . 2 . 3]" 1 680 1 60 GLU QG 1 61 SER H 2.900 . 4.000 3.545 2.735 4.070 0.070 19 0 "[ . 1 . 2 . 3]" 1 681 1 61 SER H 1 63 GLU H 4.600 . 5.500 5.495 5.414 5.533 0.033 30 0 "[ . 1 . 2 . 3]" 1 682 1 63 GLU H 1 64 SER H 2.500 . 3.300 2.563 2.503 2.593 . 0 0 "[ . 1 . 2 . 3]" 1 683 1 63 GLU H 1 65 LEU H 3.300 . 4.700 4.079 3.696 4.245 . 0 0 "[ . 1 . 2 . 3]" 1 684 1 63 GLU H 1 66 ARG H 4.000 . 5.500 4.847 4.765 5.011 . 0 0 "[ . 1 . 2 . 3]" 1 685 1 61 SER QB 1 63 GLU H 4.200 . 5.500 3.955 3.598 4.245 . 0 0 "[ . 1 . 2 . 3]" 1 686 1 61 SER HA 1 63 GLU H 3.100 . 4.300 3.483 3.395 3.556 . 0 0 "[ . 1 . 2 . 3]" 1 687 1 64 SER H 1 65 LEU H 2.300 . 3.000 2.654 2.474 2.736 . 0 0 "[ . 1 . 2 . 3]" 1 688 1 64 SER H 1 66 ARG H 3.400 . 4.800 4.590 4.397 4.804 0.004 5 0 "[ . 1 . 2 . 3]" 1 689 1 61 SER QB 1 64 SER H 3.200 . 4.000 2.707 2.289 3.116 . 0 0 "[ . 1 . 2 . 3]" 1 690 1 63 GLU HA 1 64 SER H 2.900 . 4.000 3.561 3.548 3.570 . 0 0 "[ . 1 . 2 . 3]" 1 691 1 61 SER HA 1 64 SER H 3.700 . 5.400 3.931 3.791 4.144 . 0 0 "[ . 1 . 2 . 3]" 1 692 1 63 GLU QB 1 64 SER H 3.100 . 3.300 2.608 2.324 3.168 . 0 0 "[ . 1 . 2 . 3]" 1 693 1 63 GLU QG 1 64 SER H 3.000 . 4.100 3.351 1.980 4.101 0.001 16 0 "[ . 1 . 2 . 3]" 1 694 1 65 LEU H 1 68 LYS H 3.500 . 5.000 4.726 4.547 5.028 0.028 23 0 "[ . 1 . 2 . 3]" 1 695 1 65 LEU H 1 66 ARG H 2.500 . 3.300 2.964 2.715 3.065 . 0 0 "[ . 1 . 2 . 3]" 1 696 1 61 SER QB 1 65 LEU H 4.000 . 5.200 2.478 2.252 2.968 . 0 0 "[ . 1 . 2 . 3]" 1 697 1 58 MET HA 1 65 LEU H 3.200 . 4.500 3.777 3.487 4.372 . 0 0 "[ . 1 . 2 . 3]" 1 698 1 64 SER HB2 1 65 LEU H 2.500 . 3.300 2.601 2.205 3.888 0.588 22 2 "[ . 1 . 2 + . - 3]" 1 699 1 64 SER HA 1 65 LEU H 2.700 . 3.600 3.531 3.438 3.557 . 0 0 "[ . 1 . 2 . 3]" 1 700 1 58 MET HB3 1 65 LEU H 3.300 . 5.500 5.076 4.832 5.383 . 0 0 "[ . 1 . 2 . 3]" 1 701 1 58 MET QG 1 65 LEU H 4.200 . 5.500 5.223 4.664 5.561 0.061 23 0 "[ . 1 . 2 . 3]" 1 702 1 66 ARG H 1 68 LYS H 3.700 . 5.400 4.282 4.127 4.479 . 0 0 "[ . 1 . 2 . 3]" 1 703 1 66 ARG H 1 67 SER H 2.500 . 3.300 2.817 2.737 2.871 . 0 0 "[ . 1 . 2 . 3]" 1 704 1 66 ARG H 1 69 VAL H 3.800 . 5.500 4.928 4.826 5.087 . 0 0 "[ . 1 . 2 . 3]" 1 705 1 53 SER HA 1 56 LEU H 2.800 . 3.800 3.774 3.697 3.823 0.023 1 0 "[ . 1 . 2 . 3]" 1 706 1 65 LEU HG 1 66 ARG H 3.100 . 4.300 3.486 2.029 4.317 0.017 7 0 "[ . 1 . 2 . 3]" 1 707 1 65 LEU H 1 67 SER H 3.200 . 4.500 4.012 3.706 4.185 . 0 0 "[ . 1 . 2 . 3]" 1 708 1 67 SER H 1 70 ASP H 4.000 . 5.500 4.503 4.428 4.594 . 0 0 "[ . 1 . 2 . 3]" 1 709 1 67 SER H 1 69 VAL H 3.300 . 4.700 4.389 4.248 4.596 . 0 0 "[ . 1 . 2 . 3]" 1 710 1 66 ARG QD 1 67 SER H 3.900 . 5.500 4.866 3.842 5.460 . 0 0 "[ . 1 . 2 . 3]" 1 711 1 66 ARG HA 1 67 SER H 2.900 . 4.000 3.497 3.470 3.526 . 0 0 "[ . 1 . 2 . 3]" 1 712 1 65 LEU HA 1 67 SER H 3.700 . 5.400 4.143 4.033 4.299 . 0 0 "[ . 1 . 2 . 3]" 1 713 1 63 GLU HA 1 67 SER H 3.200 . 4.500 4.361 4.050 4.506 0.006 13 0 "[ . 1 . 2 . 3]" 1 714 1 64 SER HA 1 67 SER H 2.800 . 5.500 3.904 3.702 4.337 . 0 0 "[ . 1 . 2 . 3]" 1 715 1 65 LEU QD 1 67 SER H 4.100 . 5.500 4.117 3.802 4.609 . 0 0 "[ . 1 . 2 . 3]" 1 716 1 66 ARG QG 1 67 SER H 3.200 . 4.500 4.364 4.024 4.516 0.016 21 0 "[ . 1 . 2 . 3]" 1 717 1 66 ARG HB3 1 67 SER H 2.300 . 3.000 2.916 2.778 3.037 0.037 1 0 "[ . 1 . 2 . 3]" 1 718 1 67 SER H 1 68 LYS H 2.600 . 3.400 2.552 2.475 2.709 . 0 0 "[ . 1 . 2 . 3]" 1 719 1 66 ARG HA 1 68 LYS H 4.100 . 5.500 4.288 4.176 4.389 . 0 0 "[ . 1 . 2 . 3]" 1 720 1 67 SER QB 1 68 LYS H 2.600 . 3.400 2.643 2.437 2.782 . 0 0 "[ . 1 . 2 . 3]" 1 721 1 65 LEU HA 1 68 LYS H 3.200 . 4.500 3.317 3.142 3.514 . 0 0 "[ . 1 . 2 . 3]" 1 722 1 67 SER HA 1 68 LYS H 3.100 . 4.300 3.521 3.493 3.543 . 0 0 "[ . 1 . 2 . 3]" 1 723 1 68 LYS H 1 69 VAL H 2.400 . 3.100 2.785 2.687 2.898 . 0 0 "[ . 1 . 2 . 3]" 1 724 1 69 VAL H 1 72 ALA H 4.200 . 5.500 4.625 4.526 4.722 . 0 0 "[ . 1 . 2 . 3]" 1 725 1 69 VAL H 1 70 ASP H 2.400 . 3.100 2.629 2.527 2.748 . 0 0 "[ . 1 . 2 . 3]" 1 726 1 66 ARG HA 1 69 VAL H 2.800 . 3.800 3.592 3.477 3.663 . 0 0 "[ . 1 . 2 . 3]" 1 727 1 67 SER QB 1 69 VAL H 3.500 . 5.000 5.004 4.900 5.040 0.040 19 0 "[ . 1 . 2 . 3]" 1 728 1 65 LEU HA 1 69 VAL H 3.400 . 4.800 4.014 3.823 4.257 . 0 0 "[ . 1 . 2 . 3]" 1 729 1 68 LYS HA 1 69 VAL H 2.900 . 4.000 3.567 3.546 3.588 . 0 0 "[ . 1 . 2 . 3]" 1 730 1 69 VAL H 2 6 LEU QD 4.500 . 5.500 3.970 3.497 4.569 . 0 0 "[ . 1 . 2 . 3]" 1 731 1 65 LEU QD 1 69 VAL H 2.800 . 3.800 2.819 2.512 3.215 . 0 0 "[ . 1 . 2 . 3]" 1 732 1 31 LEU QD 1 69 VAL H 3.400 . 5.500 4.397 4.145 4.652 . 0 0 "[ . 1 . 2 . 3]" 1 733 1 68 LYS QG 1 69 VAL H 3.900 . 5.500 3.914 3.056 4.259 . 0 0 "[ . 1 . 2 . 3]" 1 734 1 66 ARG QG 1 69 VAL H 3.700 . 5.400 5.130 5.020 5.230 . 0 0 "[ . 1 . 2 . 3]" 1 735 1 68 LYS QB 1 69 VAL H 2.600 . 3.600 2.248 2.105 2.411 . 0 0 "[ . 1 . 2 . 3]" 1 736 1 70 ASP H 1 72 ALA H 3.500 . 5.000 3.625 3.513 3.778 . 0 0 "[ . 1 . 2 . 3]" 1 737 1 70 ASP H 1 71 GLU H 2.500 . 3.300 2.713 2.648 2.763 . 0 0 "[ . 1 . 2 . 3]" 1 738 1 68 LYS H 1 70 ASP H 3.200 . 4.500 3.639 3.531 3.756 . 0 0 "[ . 1 . 2 . 3]" 1 739 1 69 VAL HA 1 70 ASP H 3.000 . 4.100 3.429 3.396 3.455 . 0 0 "[ . 1 . 2 . 3]" 1 740 1 66 ARG HA 1 70 ASP H 3.000 . 4.100 3.943 3.743 4.081 . 0 0 "[ . 1 . 2 . 3]" 1 741 1 69 VAL QG 1 70 ASP H 2.800 . 5.500 3.472 3.372 3.519 . 0 0 "[ . 1 . 2 . 3]" 1 742 1 66 ARG QG 1 70 ASP H 3.600 . 5.200 4.589 4.182 4.835 . 0 0 "[ . 1 . 2 . 3]" 1 743 1 35 MET ME 1 70 ASP H 3.200 . 4.500 3.806 3.004 4.161 . 0 0 "[ . 1 . 2 . 3]" 1 744 1 69 VAL HB 1 70 ASP H 2.300 . 5.500 3.219 3.147 3.307 . 0 0 "[ . 1 . 2 . 3]" 1 745 1 71 GLU H 1 72 ALA H 2.500 . 3.300 2.452 2.422 2.506 . 0 0 "[ . 1 . 2 . 3]" 1 746 1 71 GLU H 1 73 VAL H 3.400 . 4.800 4.324 4.048 4.559 . 0 0 "[ . 1 . 2 . 3]" 1 747 1 69 VAL H 1 71 GLU H 3.300 . 4.700 4.558 4.500 4.652 . 0 0 "[ . 1 . 2 . 3]" 1 748 1 70 ASP HB2 1 71 GLU H 2.700 . 5.500 3.802 3.619 3.881 . 0 0 "[ . 1 . 2 . 3]" 1 749 1 69 VAL HA 1 71 GLU H 3.600 . 5.200 4.180 4.138 4.247 . 0 0 "[ . 1 . 2 . 3]" 1 750 1 68 LYS HA 1 71 GLU H 2.600 . 5.500 3.798 3.637 3.908 . 0 0 "[ . 1 . 2 . 3]" 1 751 1 70 ASP HA 1 71 GLU H 3.100 . 4.300 3.547 3.537 3.553 . 0 0 "[ . 1 . 2 . 3]" 1 752 1 69 VAL QG 1 71 GLU H 4.400 . 5.500 4.622 4.567 4.697 . 0 0 "[ . 1 . 2 . 3]" 1 753 1 70 ASP HB3 1 71 GLU H 2.900 . 4.000 2.426 2.365 2.496 . 0 0 "[ . 1 . 2 . 3]" 1 754 1 72 ALA H 1 74 ALA H 3.400 . 4.800 3.852 3.733 4.003 . 0 0 "[ . 1 . 2 . 3]" 1 755 1 72 ALA H 1 73 VAL H 2.600 . 3.400 2.729 2.574 2.865 . 0 0 "[ . 1 . 2 . 3]" 1 756 1 69 VAL HA 1 72 ALA H 2.800 . 3.800 2.746 2.685 2.788 . 0 0 "[ . 1 . 2 . 3]" 1 757 1 71 GLU HA 1 72 ALA H 3.000 . 4.100 3.462 3.411 3.498 . 0 0 "[ . 1 . 2 . 3]" 1 758 1 68 LYS HA 1 72 ALA H 3.200 . 5.500 4.857 4.696 5.050 . 0 0 "[ . 1 . 2 . 3]" 1 759 1 70 ASP HA 1 72 ALA H 3.900 . 5.500 4.095 3.872 4.266 . 0 0 "[ . 1 . 2 . 3]" 1 760 1 69 VAL QG 1 72 ALA H 4.200 . 5.500 3.586 3.471 3.718 . 0 0 "[ . 1 . 2 . 3]" 1 761 1 72 ALA H 2 6 LEU QB 3.400 . 5.500 4.702 3.748 5.525 0.025 3 0 "[ . 1 . 2 . 3]" 1 762 1 71 GLU HB3 1 72 ALA H 2.400 . 3.100 2.903 2.733 3.099 . 0 0 "[ . 1 . 2 . 3]" 1 763 1 71 GLU HG3 1 72 ALA H 3.400 . 4.800 4.659 4.474 4.939 0.139 6 0 "[ . 1 . 2 . 3]" 1 764 1 73 VAL H 1 74 ALA H 2.400 . 3.100 2.535 2.454 2.610 . 0 0 "[ . 1 . 2 . 3]" 1 765 1 69 VAL HA 1 73 VAL H 3.400 . 4.800 4.085 3.941 4.244 . 0 0 "[ . 1 . 2 . 3]" 1 766 1 72 ALA HA 1 73 VAL H 3.100 . 4.300 3.554 3.503 3.588 . 0 0 "[ . 1 . 2 . 3]" 1 767 1 71 GLU HA 1 73 VAL H 3.700 . 5.400 4.300 3.980 4.625 . 0 0 "[ . 1 . 2 . 3]" 1 768 1 70 ASP HA 1 73 VAL H 2.800 . 3.800 3.617 3.427 3.756 . 0 0 "[ . 1 . 2 . 3]" 1 769 1 69 VAL QG 1 73 VAL H 4.100 . 4.700 3.135 2.902 3.382 . 0 0 "[ . 1 . 2 . 3]" 1 770 1 72 ALA MB 1 73 VAL H 2.300 . 3.000 2.555 2.338 2.762 . 0 0 "[ . 1 . 2 . 3]" 1 771 1 74 ALA H 1 75 VAL H 2.700 . 3.600 2.580 2.373 2.651 . 0 0 "[ . 1 . 2 . 3]" 1 772 1 74 ALA H 1 76 LEU H 3.700 . 5.400 4.059 3.947 4.205 . 0 0 "[ . 1 . 2 . 3]" 1 773 1 73 VAL HA 1 74 ALA H 3.100 . 4.300 3.475 3.446 3.505 . 0 0 "[ . 1 . 2 . 3]" 1 774 1 72 ALA HA 1 74 ALA H 3.900 . 5.500 4.004 3.897 4.103 . 0 0 "[ . 1 . 2 . 3]" 1 775 1 71 GLU HA 1 74 ALA H 3.000 . 4.100 3.208 3.022 3.382 . 0 0 "[ . 1 . 2 . 3]" 1 776 1 70 ASP HA 1 74 ALA H 3.500 . 5.000 4.906 4.816 4.973 . 0 0 "[ . 1 . 2 . 3]" 1 777 1 73 VAL QG 1 74 ALA H 3.000 . 3.800 2.661 2.088 3.251 . 0 0 "[ . 1 . 2 . 3]" 1 778 1 73 VAL HB 1 74 ALA H 2.900 . 4.000 3.545 2.835 4.078 0.078 22 0 "[ . 1 . 2 . 3]" 1 779 1 75 VAL H 1 77 GLN H 4.300 . 5.500 4.327 4.071 4.511 . 0 0 "[ . 1 . 2 . 3]" 1 780 1 72 ALA HA 1 75 VAL H 3.200 . 4.500 3.149 2.727 3.248 . 0 0 "[ . 1 . 2 . 3]" 1 781 1 71 GLU HA 1 75 VAL H 3.700 . 5.400 4.480 4.368 4.797 . 0 0 "[ . 1 . 2 . 3]" 1 782 1 74 ALA HA 1 75 VAL H 3.400 . 4.800 3.530 3.473 3.550 . 0 0 "[ . 1 . 2 . 3]" 1 783 1 74 ALA MB 1 75 VAL H 2.600 . 3.400 2.700 2.575 2.897 . 0 0 "[ . 1 . 2 . 3]" 1 784 1 76 LEU H 1 77 GLN H 2.600 . 3.400 2.599 2.470 2.708 . 0 0 "[ . 1 . 2 . 3]" 1 785 1 75 VAL H 1 76 LEU H 2.600 . 3.400 2.617 2.493 2.719 . 0 0 "[ . 1 . 2 . 3]" 1 786 1 73 VAL HA 1 76 LEU H 3.000 . 4.100 3.592 3.365 3.762 . 0 0 "[ . 1 . 2 . 3]" 1 787 1 75 VAL HA 1 76 LEU H 3.100 . 4.300 3.483 3.458 3.524 . 0 0 "[ . 1 . 2 . 3]" 1 788 1 72 ALA HA 1 76 LEU H 3.500 . 5.000 4.744 4.378 4.951 . 0 0 "[ . 1 . 2 . 3]" 1 789 1 74 ALA HA 1 76 LEU H 4.200 . 5.500 3.967 3.764 4.255 . 0 0 "[ . 1 . 2 . 3]" 1 790 1 43 ILE MD 1 76 LEU H 4.100 . 5.500 3.976 3.619 4.315 . 0 0 "[ . 1 . 2 . 3]" 1 791 1 73 VAL QG 1 76 LEU H 3.900 . 5.500 4.397 4.213 4.629 . 0 0 "[ . 1 . 2 . 3]" 1 792 1 75 VAL QG 1 76 LEU H 3.000 . 4.100 2.244 1.943 3.223 . 0 0 "[ . 1 . 2 . 3]" 1 793 1 46 MET ME 1 76 LEU H 3.100 . 4.300 4.162 3.389 4.326 0.026 2 0 "[ . 1 . 2 . 3]" 1 794 1 77 GLN H 1 78 ALA H 2.600 . 3.400 2.712 2.610 2.774 . 0 0 "[ . 1 . 2 . 3]" 1 795 1 77 GLN H 1 79 HIS H 3.800 . 5.500 3.894 3.745 4.078 . 0 0 "[ . 1 . 2 . 3]" 1 796 1 73 VAL HA 1 77 GLN H 3.400 . 4.800 4.651 4.203 4.866 0.066 11 0 "[ . 1 . 2 . 3]" 1 797 1 75 VAL HA 1 77 GLN H 4.000 . 5.500 4.676 4.464 4.942 . 0 0 "[ . 1 . 2 . 3]" 1 798 1 74 ALA HA 1 77 GLN H 3.000 . 4.100 3.209 2.952 3.612 . 0 0 "[ . 1 . 2 . 3]" 1 799 1 43 ILE MD 1 77 GLN H 5.300 . 5.500 5.018 4.536 5.506 0.006 11 0 "[ . 1 . 2 . 3]" 1 800 1 73 VAL QG 1 77 GLN H 3.500 . 5.000 4.282 3.918 4.566 . 0 0 "[ . 1 . 2 . 3]" 1 801 1 76 LEU QD 1 77 GLN H 3.600 . 5.200 3.154 2.427 3.851 . 0 0 "[ . 1 . 2 . 3]" 1 802 1 75 VAL QG 1 77 GLN H 4.600 . 5.500 4.245 4.066 4.681 . 0 0 "[ . 1 . 2 . 3]" 1 803 1 76 LEU QB 1 77 GLN H 3.000 . 3.800 2.363 2.118 2.536 . 0 0 "[ . 1 . 2 . 3]" 1 804 1 76 LEU HG 1 77 GLN H 3.300 . 4.700 4.477 3.417 4.827 0.127 28 0 "[ . 1 . 2 . 3]" 1 805 1 80 GLN H 1 81 ALA H 2.600 . 3.400 2.584 2.333 2.740 . 0 0 "[ . 1 . 2 . 3]" 1 806 1 75 VAL HA 1 78 ALA H 4.100 . 5.500 3.555 3.293 3.791 . 0 0 "[ . 1 . 2 . 3]" 1 807 1 77 GLN QB 1 78 ALA H 3.700 . 3.800 2.823 2.667 3.456 . 0 0 "[ . 1 . 2 . 3]" 1 808 1 80 GLN HB2 1 81 ALA H 3.000 . 4.100 3.487 2.473 4.190 0.090 21 0 "[ . 1 . 2 . 3]" 1 809 1 77 GLN QG 1 78 ALA H 4.600 . 5.500 4.002 1.966 4.406 0.034 22 0 "[ . 1 . 2 . 3]" 1 810 1 80 GLN HG2 1 81 ALA H 5.000 . 5.500 5.007 2.813 5.608 0.108 24 0 "[ . 1 . 2 . 3]" 1 811 1 79 HIS HA 1 81 ALA H 3.900 . 5.500 3.893 3.251 5.386 . 0 0 "[ . 1 . 2 . 3]" 1 812 1 79 HIS HD2 1 80 GLN H 4.100 . 5.500 4.925 3.747 5.514 0.014 24 0 "[ . 1 . 2 . 3]" 1 813 1 80 GLN H 1 82 LYS H 3.900 . 5.500 4.932 3.869 5.530 0.030 11 0 "[ . 1 . 2 . 3]" 1 814 1 79 HIS H 1 80 GLN H 2.700 . 3.600 2.732 2.457 3.056 . 0 0 "[ . 1 . 2 . 3]" 1 815 1 79 HIS HB3 1 80 GLN H 2.700 . 5.500 2.512 1.930 3.377 . 0 0 "[ . 1 . 2 . 3]" 1 816 1 78 ALA HA 1 80 GLN H 3.700 . 5.400 4.462 3.594 5.077 . 0 0 "[ . 1 . 2 . 3]" 1 817 1 79 HIS HA 1 80 GLN H 3.100 . 4.300 3.533 3.361 3.573 . 0 0 "[ . 1 . 2 . 3]" 1 818 1 79 HIS HB2 1 80 GLN H 3.100 . 4.300 3.713 3.194 4.092 . 0 0 "[ . 1 . 2 . 3]" 1 819 1 78 ALA H 1 79 HIS H 2.500 . 3.300 2.342 2.279 2.404 . 0 0 "[ . 1 . 2 . 3]" 1 820 1 76 LEU H 1 79 HIS H 4.200 . 5.500 4.390 4.237 4.759 . 0 0 "[ . 1 . 2 . 3]" 1 821 1 75 VAL QG 1 79 HIS H 3.800 . 5.500 4.352 4.122 4.581 . 0 0 "[ . 1 . 2 . 3]" 1 822 1 76 LEU QD 1 79 HIS H 4.100 . 5.500 4.090 3.477 4.798 . 0 0 "[ . 1 . 2 . 3]" 1 823 1 78 ALA MB 1 79 HIS H 2.600 . 3.400 2.916 2.728 3.082 . 0 0 "[ . 1 . 2 . 3]" 1 824 1 76 LEU QB 1 79 HIS H 3.700 . 5.400 4.513 4.259 4.858 . 0 0 "[ . 1 . 2 . 3]" 1 825 1 75 VAL HA 1 79 HIS H 3.800 . 5.500 4.261 4.062 4.581 . 0 0 "[ . 1 . 2 . 3]" 1 826 1 76 LEU HA 1 79 HIS H 2.800 . 3.800 3.069 2.812 3.388 . 0 0 "[ . 1 . 2 . 3]" 1 827 1 78 ALA HA 1 79 HIS H 3.000 . 4.100 3.458 3.406 3.501 . 0 0 "[ . 1 . 2 . 3]" 1 828 1 81 ALA MB 1 83 GLU H 3.500 . 5.000 4.012 3.783 4.433 . 0 0 "[ . 1 . 2 . 3]" 1 829 1 82 LYS HA 1 83 GLU H 2.600 . 5.500 3.408 3.300 3.531 . 0 0 "[ . 1 . 2 . 3]" 1 830 1 81 ALA HA 1 83 GLU H 3.400 . 4.800 4.192 3.902 4.622 . 0 0 "[ . 1 . 2 . 3]" 1 831 1 79 HIS HA 1 83 GLU H 3.500 . 5.000 4.461 3.666 5.006 0.006 18 0 "[ . 1 . 2 . 3]" 1 832 1 86 GLN HB2 1 87 LYS H 3.100 . 4.300 3.261 1.915 4.365 0.065 28 0 "[ . 1 . 2 . 3]" 1 833 1 86 GLN HB3 1 87 LYS H 3.100 . 4.300 3.275 1.887 4.380 0.080 28 0 "[ . 1 . 2 . 3]" 1 834 1 84 ALA H 1 85 ALA H 2.500 . 3.300 2.586 2.402 2.814 . 0 0 "[ . 1 . 2 . 3]" 1 835 1 81 ALA MB 1 84 ALA H 3.900 . 5.500 4.805 4.498 5.037 . 0 0 "[ . 1 . 2 . 3]" 1 836 1 83 GLU QB 1 84 ALA H 2.800 . 3.800 2.703 2.296 3.371 . 0 0 "[ . 1 . 2 . 3]" 1 837 1 83 GLU HG2 1 84 ALA H 3.700 . 5.400 4.305 2.502 5.433 0.033 30 0 "[ . 1 . 2 . 3]" 1 838 1 83 GLU HG3 1 84 ALA H 3.600 . 5.200 4.462 2.432 5.409 0.209 13 0 "[ . 1 . 2 . 3]" 1 839 1 81 ALA HA 1 84 ALA H 3.100 . 4.300 3.970 3.406 4.338 0.038 11 0 "[ . 1 . 2 . 3]" 1 840 1 83 GLU QB 1 85 ALA H 3.800 . 5.500 4.450 4.196 4.847 . 0 0 "[ . 1 . 2 . 3]" 1 841 1 83 GLU HA 1 85 ALA H 3.600 . 5.200 3.833 2.987 4.950 . 0 0 "[ . 1 . 2 . 3]" 1 842 1 84 ALA HA 1 85 ALA H 2.700 . 3.600 3.361 3.099 3.555 . 0 0 "[ . 1 . 2 . 3]" 1 843 1 84 ALA HA 1 86 GLN H 3.800 . 5.500 4.142 3.127 5.505 0.005 30 0 "[ . 1 . 2 . 3]" 1 844 1 83 GLU HA 1 86 GLN H 3.300 . 4.700 4.260 3.331 7.328 2.628 30 1 "[ . 1 . 2 . +]" 1 845 1 85 ALA MB 1 86 GLN H 2.700 . 3.600 2.800 1.904 3.702 0.102 28 0 "[ . 1 . 2 . 3]" 1 846 1 88 ALA MB 1 89 VAL H 2.800 . 3.800 3.542 3.228 3.721 . 0 0 "[ . 1 . 2 . 3]" 1 847 1 87 LYS HA 1 89 VAL H 3.500 . 5.000 4.194 2.941 5.013 0.013 28 0 "[ . 1 . 2 . 3]" 1 848 1 88 ALA HA 1 89 VAL H 2.500 . 3.300 2.688 2.187 3.306 0.006 11 0 "[ . 1 . 2 . 3]" 1 849 1 89 VAL H 1 90 ASN H 3.300 . 4.700 3.643 2.110 4.594 . 0 0 "[ . 1 . 2 . 3]" 1 850 1 89 VAL MG2 1 90 ASN H 3.600 . 5.200 3.725 2.075 4.424 . 0 0 "[ . 1 . 2 . 3]" 1 851 1 89 VAL HB 1 90 ASN H 3.500 . 5.000 3.720 2.195 4.533 . 0 0 "[ . 1 . 2 . 3]" 1 852 1 89 VAL HA 1 90 ASN H 2.900 . 4.000 2.640 2.139 3.523 . 0 0 "[ . 1 . 2 . 3]" 1 853 1 92 ALA H 1 93 THR H 4.000 . 5.500 3.985 2.535 4.611 . 0 0 "[ . 1 . 2 . 3]" 1 854 1 93 THR H 1 94 GLY H 3.700 . 5.400 3.680 2.075 4.571 . 0 0 "[ . 1 . 2 . 3]" 1 855 1 92 ALA MB 1 93 THR H 3.800 . 5.500 3.012 2.066 3.718 . 0 0 "[ . 1 . 2 . 3]" 1 856 1 92 ALA HA 1 93 THR H 3.400 . 4.800 2.544 2.151 3.571 . 0 0 "[ . 1 . 2 . 3]" 1 857 1 93 THR MG 1 94 GLY H 4.400 . 5.500 3.573 2.132 4.449 . 0 0 "[ . 1 . 2 . 3]" 1 858 1 93 THR HA 1 94 GLY H 3.300 . 4.700 2.760 2.140 3.573 . 0 0 "[ . 1 . 2 . 3]" 1 859 1 94 GLY H 1 95 VAL H 3.600 . 5.200 3.524 2.272 4.618 . 0 0 "[ . 1 . 2 . 3]" 1 860 1 94 GLY QA 1 95 VAL H 2.800 . 3.800 2.384 2.106 2.914 . 0 0 "[ . 1 . 2 . 3]" 1 861 1 31 LEU HB2 1 32 ILE H 3.400 . 4.800 2.668 2.535 2.988 . 0 0 "[ . 1 . 2 . 3]" 1 862 1 31 LEU HG 1 32 ILE H 3.500 . 5.000 3.300 3.018 3.414 . 0 0 "[ . 1 . 2 . 3]" 1 863 1 97 THR H 1 98 VAL H 4.300 . 5.500 3.587 2.006 4.610 . 0 0 "[ . 1 . 2 . 3]" 1 864 1 97 THR HA 1 98 VAL H 3.400 . 4.800 2.791 2.139 3.571 . 0 0 "[ . 1 . 2 . 3]" 1 865 2 2 VAL H 2 2 VAL HA 3.000 . 4.100 2.909 2.878 2.934 . 0 0 "[ . 1 . 2 . 3]" 1 866 2 2 VAL H 2 2 VAL HB 2.900 . 4.000 2.948 2.587 3.662 . 0 0 "[ . 1 . 2 . 3]" 1 867 2 3 LYS H 2 3 LYS HA 2.900 . 4.000 2.904 2.865 2.926 . 0 0 "[ . 1 . 2 . 3]" 1 868 2 3 LYS H 2 3 LYS HB3 2.600 . 5.500 3.313 2.361 3.673 . 0 0 "[ . 1 . 2 . 3]" 1 869 2 3 LYS H 2 3 LYS HB2 3.300 . 4.700 2.712 2.093 3.649 . 0 0 "[ . 1 . 2 . 3]" 1 870 2 3 LYS H 2 3 LYS HG2 3.100 . 4.300 3.262 1.637 4.646 0.346 7 0 "[ . 1 . 2 . 3]" 1 871 2 3 LYS HA 2 4 SER H 2.300 . 3.000 2.395 2.134 3.068 0.068 25 0 "[ . 1 . 2 . 3]" 1 872 2 4 SER H 2 4 SER QB 3.100 . 4.000 2.570 2.173 2.985 . 0 0 "[ . 1 . 2 . 3]" 1 873 2 5 ASN H 2 5 ASN HA 2.300 . 3.000 2.940 2.933 2.947 . 0 0 "[ . 1 . 2 . 3]" 1 874 2 5 ASN H 2 5 ASN HB3 2.800 . 3.800 3.523 2.879 3.763 . 0 0 "[ . 1 . 2 . 3]" 1 875 2 6 LEU H 2 6 LEU HA 2.800 . 3.800 2.840 2.808 2.891 . 0 0 "[ . 1 . 2 . 3]" 1 876 2 6 LEU H 2 6 LEU QB 2.300 . 3.000 2.155 2.034 2.582 . 0 0 "[ . 1 . 2 . 3]" 1 877 2 6 LEU H 2 6 LEU QD 3.000 . 4.100 3.316 2.860 3.703 . 0 0 "[ . 1 . 2 . 3]" 1 878 2 7 ASN H 2 7 ASN HA 3.000 . 4.100 2.887 2.861 2.922 . 0 0 "[ . 1 . 2 . 3]" 1 879 2 7 ASN H 2 7 ASN HB2 2.700 . 3.600 2.267 2.193 2.379 . 0 0 "[ . 1 . 2 . 3]" 1 880 2 7 ASN H 2 7 ASN HB3 2.700 . 3.600 2.960 2.897 3.085 . 0 0 "[ . 1 . 2 . 3]" 1 881 2 9 ASN H 2 9 ASN HA 2.900 . 4.000 2.946 2.944 2.949 . 0 0 "[ . 1 . 2 . 3]" 1 882 2 9 ASN H 2 9 ASN HB3 2.700 . 5.500 3.797 3.746 3.825 . 0 0 "[ . 1 . 2 . 3]" 1 883 2 9 ASN H 2 9 ASN HB2 2.600 . 3.400 2.702 2.583 2.839 . 0 0 "[ . 1 . 2 . 3]" 1 884 2 10 ALA H 2 10 ALA HA 2.500 . 3.300 2.794 2.755 2.814 . 0 0 "[ . 1 . 2 . 3]" 1 885 2 10 ALA H 2 10 ALA MB 2.200 . 2.800 2.131 2.020 2.231 . 0 0 "[ . 1 . 2 . 3]" 1 886 2 11 LYS H 2 11 LYS HA 3.000 . 4.100 2.948 2.939 2.951 . 0 0 "[ . 1 . 2 . 3]" 1 887 2 11 LYS H 2 11 LYS HB3 2.700 . 3.600 3.670 2.427 3.872 0.272 9 0 "[ . 1 . 2 . 3]" 1 888 2 11 LYS H 2 11 LYS HB2 2.700 . 5.500 3.000 2.674 3.639 . 0 0 "[ . 1 . 2 . 3]" 1 889 2 11 LYS H 2 11 LYS QG 2.500 . 3.300 2.569 1.740 3.400 0.100 15 0 "[ . 1 . 2 . 3]" 1 890 2 12 GLU H 2 12 GLU QG 2.700 . 5.500 3.069 1.634 3.868 . 0 0 "[ . 1 . 2 . 3]" 1 891 2 12 GLU H 2 12 GLU HB2 2.200 . 2.800 2.327 2.061 2.822 0.022 24 0 "[ . 1 . 2 . 3]" 1 892 2 13 PHE H 2 13 PHE HA 2.600 . 3.400 2.908 2.901 2.935 . 0 0 "[ . 1 . 2 . 3]" 1 893 2 13 PHE H 2 13 PHE HB3 2.700 . 3.600 2.726 2.566 2.936 . 0 0 "[ . 1 . 2 . 3]" 1 894 2 13 PHE H 2 13 PHE HB2 2.900 . 4.000 2.479 2.251 2.787 . 0 0 "[ . 1 . 2 . 3]" 1 895 2 14 VAL H 2 14 VAL HA 2.900 . 4.000 2.942 2.928 2.955 . 0 0 "[ . 1 . 2 . 3]" 1 896 2 14 VAL H 2 14 VAL HB 2.700 . 3.600 3.349 2.637 3.750 0.150 20 0 "[ . 1 . 2 . 3]" 1 897 2 14 VAL H 2 14 VAL QG 2.600 . 3.400 2.076 1.597 2.780 0.203 1 0 "[ . 1 . 2 . 3]" 1 898 2 16 GLY H 2 16 GLY HA3 2.700 . 3.600 2.892 2.859 2.919 . 0 0 "[ . 1 . 2 . 3]" 1 899 2 16 GLY H 2 16 GLY HA2 2.500 . 3.300 2.327 2.306 2.349 . 0 0 "[ . 1 . 2 . 3]" 1 900 2 17 VAL H 2 17 VAL HA 2.500 . 3.300 2.935 2.921 2.951 . 0 0 "[ . 1 . 2 . 3]" 1 901 2 17 VAL H 2 17 VAL HB 2.900 . 4.000 3.463 2.546 3.789 . 0 0 "[ . 1 . 2 . 3]" 1 902 2 17 VAL H 2 17 VAL MG1 2.400 . 3.100 2.924 2.336 3.890 0.790 18 4 "[ * .* 1 . +-2 . 3]" 1 903 2 18 LYS H 2 18 LYS HA 2.800 . 3.800 2.813 2.790 2.869 . 0 0 "[ . 1 . 2 . 3]" 1 904 2 18 LYS H 2 18 LYS QB 2.300 . 3.000 2.558 2.039 2.815 . 0 0 "[ . 1 . 2 . 3]" 1 905 2 18 LYS H 2 18 LYS HG3 2.900 . 4.000 2.783 1.752 3.699 0.048 18 0 "[ . 1 . 2 . 3]" 1 906 2 13 PHE H 2 13 PHE QD 3.300 . 4.700 4.204 4.146 4.258 . 0 0 "[ . 1 . 2 . 3]" 1 907 2 19 TYR H 2 19 TYR HA 2.700 . 3.600 2.867 2.819 2.897 . 0 0 "[ . 1 . 2 . 3]" 1 908 2 19 TYR H 2 19 TYR HB3 2.500 . 5.500 2.902 2.672 3.257 . 0 0 "[ . 1 . 2 . 3]" 1 909 2 19 TYR H 2 19 TYR HB2 2.600 . 5.500 2.275 2.064 2.468 . 0 0 "[ . 1 . 2 . 3]" 1 910 2 19 TYR H 2 19 TYR QD 3.200 . 4.500 3.996 3.227 4.183 . 0 0 "[ . 1 . 2 . 3]" 1 911 2 20 GLY H 2 20 GLY HA3 2.800 . 3.800 2.905 2.859 2.927 . 0 0 "[ . 1 . 2 . 3]" 1 912 2 20 GLY H 2 20 GLY HA2 2.700 . 3.600 2.339 2.306 2.365 . 0 0 "[ . 1 . 2 . 3]" 1 913 2 21 ASN H 2 21 ASN HB3 3.700 . 5.400 2.858 2.464 3.589 . 0 0 "[ . 1 . 2 . 3]" 1 914 2 21 ASN H 2 21 ASN HB2 3.200 . 4.500 2.824 2.293 3.697 . 0 0 "[ . 1 . 2 . 3]" 1 915 2 22 ILE H 2 22 ILE HB 3.400 . 4.800 3.081 2.707 3.802 . 0 0 "[ . 1 . 2 . 3]" 1 916 2 22 ILE H 2 22 ILE QG 4.200 . 5.500 2.800 2.019 4.129 . 0 0 "[ . 1 . 2 . 3]" 1 917 2 22 ILE H 2 22 ILE MG 3.700 . 5.400 3.306 2.074 3.926 . 0 0 "[ . 1 . 2 . 3]" 1 918 2 22 ILE H 2 22 ILE MD 3.900 . 5.500 3.599 2.000 4.618 . 0 0 "[ . 1 . 2 . 3]" 1 919 2 1 VAL HA 2 2 VAL H 2.300 . 3.000 2.440 2.139 3.032 0.032 4 0 "[ . 1 . 2 . 3]" 1 920 2 2 VAL MG1 2 3 LYS H 2.800 . 3.800 3.233 1.973 3.964 0.164 4 0 "[ . 1 . 2 . 3]" 1 921 2 2 VAL HB 2 3 LYS H 3.300 . 4.700 3.717 1.972 4.581 . 0 0 "[ . 1 . 2 . 3]" 1 922 2 2 VAL HA 2 3 LYS H 2.200 . 2.800 2.289 2.141 2.830 0.030 23 0 "[ . 1 . 2 . 3]" 1 923 2 4 SER H 2 5 ASN H 3.900 . 5.500 4.500 4.230 4.624 . 0 0 "[ . 1 . 2 . 3]" 1 924 2 2 VAL QG 2 4 SER H 3.800 . 5.500 3.733 2.157 5.061 . 0 0 "[ . 1 . 2 . 3]" 1 925 2 3 LYS QG 2 4 SER H 3.800 . 5.500 4.101 3.131 4.779 . 0 0 "[ . 1 . 2 . 3]" 1 926 2 3 LYS HB3 2 4 SER H 3.200 . 4.500 3.964 1.606 4.655 0.294 15 0 "[ . 1 . 2 . 3]" 1 927 2 5 ASN H 2 6 LEU H 2.900 . 4.000 2.375 2.085 2.883 . 0 0 "[ . 1 . 2 . 3]" 1 928 1 47 LEU QD 2 5 ASN H 3.900 . 5.500 4.169 3.750 4.629 . 0 0 "[ . 1 . 2 . 3]" 1 929 2 4 SER QB 2 5 ASN H 3.700 . 5.400 2.586 1.982 3.323 0.018 12 0 "[ . 1 . 2 . 3]" 1 930 2 4 SER HA 2 5 ASN H 2.500 . 3.300 2.571 2.169 2.979 . 0 0 "[ . 1 . 2 . 3]" 1 931 2 5 ASN QB 2 6 LEU H 3.400 . 4.800 2.336 1.999 2.791 0.001 10 0 "[ . 1 . 2 . 3]" 1 932 2 4 SER QB 2 6 LEU H 3.600 . 5.000 3.768 2.577 4.289 . 0 0 "[ . 1 . 2 . 3]" 1 933 2 6 LEU H 2 7 ASN H 3.500 . 5.000 3.105 2.932 3.298 . 0 0 "[ . 1 . 2 . 3]" 1 934 1 47 LEU QD 2 7 ASN H 2.700 . 5.500 1.918 1.536 2.126 . 0 0 "[ . 1 . 2 . 3]" 1 935 2 6 LEU QD 2 7 ASN H 3.300 . 4.600 3.417 2.742 3.681 . 0 0 "[ . 1 . 2 . 3]" 1 936 2 7 ASN H 2 10 ALA MB 3.800 . 5.000 4.586 4.078 4.830 . 0 0 "[ . 1 . 2 . 3]" 1 937 1 47 LEU HB3 2 7 ASN H 3.000 . 5.000 4.949 4.446 5.077 0.077 21 0 "[ . 1 . 2 . 3]" 1 938 2 6 LEU HA 2 7 ASN H 2.700 . 3.600 3.543 3.516 3.568 . 0 0 "[ . 1 . 2 . 3]" 1 939 2 7 ASN HD21 2 10 ALA MB 4.000 . 5.500 4.615 4.445 4.983 . 0 0 "[ . 1 . 2 . 3]" 1 940 2 7 ASN HD21 2 9 ASN HB2 4.100 . 5.500 2.312 2.018 2.590 . 0 0 "[ . 1 . 2 . 3]" 1 941 2 7 ASN HB3 2 7 ASN HD21 3.200 . 4.500 2.244 2.120 2.483 . 0 0 "[ . 1 . 2 . 3]" 1 942 2 7 ASN HB2 2 7 ASN HD21 3.100 . 4.300 3.447 3.168 3.543 . 0 0 "[ . 1 . 2 . 3]" 1 943 2 7 ASN HD21 2 10 ALA HA 3.700 . 5.400 4.030 3.599 4.639 . 0 0 "[ . 1 . 2 . 3]" 1 944 2 7 ASN HD22 2 9 ASN HB3 3.500 . 5.000 4.196 3.892 4.731 . 0 0 "[ . 1 . 2 . 3]" 1 945 2 7 ASN HB2 2 7 ASN HD22 3.500 . 5.000 4.044 3.900 4.094 . 0 0 "[ . 1 . 2 . 3]" 1 946 2 8 PRO HA 2 9 ASN H 2.900 . 4.000 3.310 3.181 3.402 . 0 0 "[ . 1 . 2 . 3]" 1 947 2 4 SER QB 2 9 ASN H 3.400 . 4.800 4.537 4.354 4.634 . 0 0 "[ . 1 . 2 . 3]" 1 948 2 7 ASN HD22 2 9 ASN H 3.400 . 4.800 3.082 2.789 3.574 . 0 0 "[ . 1 . 2 . 3]" 1 949 2 9 ASN H 2 10 ALA H 2.500 . 5.500 2.909 2.463 3.242 . 0 0 "[ . 1 . 2 . 3]" 1 950 2 7 ASN HD22 2 10 ALA H 3.700 . 5.400 5.411 5.329 5.450 0.050 21 0 "[ . 1 . 2 . 3]" 1 951 2 10 ALA H 2 11 LYS H 3.300 . 4.700 4.231 4.102 4.298 . 0 0 "[ . 1 . 2 . 3]" 1 952 1 47 LEU QD 2 10 ALA H 4.300 . 5.000 4.866 4.353 5.056 0.056 29 0 "[ . 1 . 2 . 3]" 1 953 1 46 MET QB 2 10 ALA H 4.700 . 5.500 4.520 4.189 4.803 . 0 0 "[ . 1 . 2 . 3]" 1 954 2 9 ASN HB2 2 10 ALA H 3.000 . 5.500 4.296 4.054 4.447 . 0 0 "[ . 1 . 2 . 3]" 1 955 2 9 ASN HA 2 10 ALA H 2.900 . 4.000 2.694 2.505 2.956 . 0 0 "[ . 1 . 2 . 3]" 1 956 2 10 ALA HA 2 11 LYS H 2.100 . 2.700 2.230 2.202 2.298 . 0 0 "[ . 1 . 2 . 3]" 1 957 2 11 LYS H 2 12 GLU H 3.500 . 5.000 4.400 4.256 4.524 . 0 0 "[ . 1 . 2 . 3]" 1 958 2 12 GLU H 2 14 VAL QG 4.000 . 5.500 4.128 3.584 4.667 . 0 0 "[ . 1 . 2 . 3]" 1 959 2 11 LYS HB2 2 12 GLU H 2.800 . 3.800 3.558 2.084 4.148 0.348 21 0 "[ . 1 . 2 . 3]" 1 960 2 11 LYS HA 2 12 GLU H 2.100 . 5.500 2.287 2.141 2.645 . 0 0 "[ . 1 . 2 . 3]" 1 961 2 12 GLU H 2 13 PHE H 3.600 . 5.200 4.627 4.570 4.647 . 0 0 "[ . 1 . 2 . 3]" 1 962 2 13 PHE H 2 14 VAL H 3.700 . 5.400 4.061 3.636 4.409 . 0 0 "[ . 1 . 2 . 3]" 1 963 2 12 GLU HB3 2 13 PHE H 2.700 . 3.600 2.708 2.050 3.254 . 0 0 "[ . 1 . 2 . 3]" 1 964 2 12 GLU QG 2 13 PHE H 3.200 . 4.500 2.942 1.883 4.112 0.017 30 0 "[ . 1 . 2 . 3]" 1 965 1 45 GLY QA 2 13 PHE H 3.700 . 5.400 2.472 1.961 2.959 0.039 29 0 "[ . 1 . 2 . 3]" 1 966 2 12 GLU HA 2 13 PHE H 2.400 . 3.100 2.440 2.360 2.544 . 0 0 "[ . 1 . 2 . 3]" 1 967 1 42 LYS HA 2 13 PHE H 3.400 . 5.500 4.932 4.462 5.165 . 0 0 "[ . 1 . 2 . 3]" 1 968 2 13 PHE QD 2 14 VAL H 3.100 . 4.300 2.766 1.899 3.392 0.001 18 0 "[ . 1 . 2 . 3]" 1 969 1 48 LEU HB3 2 14 VAL H 3.600 . 5.200 5.189 4.741 5.421 0.221 24 0 "[ . 1 . 2 . 3]" 1 970 2 13 PHE HB2 2 14 VAL H 3.200 . 4.500 4.582 4.425 4.662 0.162 13 0 "[ . 1 . 2 . 3]" 1 971 2 13 PHE HB3 2 14 VAL H 3.400 . 4.800 4.326 4.187 4.425 . 0 0 "[ . 1 . 2 . 3]" 1 972 2 13 PHE HA 2 14 VAL H 2.300 . 3.000 2.249 2.128 2.488 . 0 0 "[ . 1 . 2 . 3]" 1 973 2 13 PHE QE 2 16 GLY H 3.500 . 5.000 4.062 3.070 5.081 0.081 2 0 "[ . 1 . 2 . 3]" 1 974 2 16 GLY H 2 17 VAL H 2.900 . 4.000 3.079 2.736 3.478 . 0 0 "[ . 1 . 2 . 3]" 1 975 2 16 GLY H 2 17 VAL QG 3.200 . 4.500 4.239 3.794 4.571 0.071 18 0 "[ . 1 . 2 . 3]" 1 976 2 16 GLY HA2 2 17 VAL H 3.000 . 4.100 3.490 3.350 3.569 . 0 0 "[ . 1 . 2 . 3]" 1 977 2 17 VAL H 2 18 LYS H 3.700 . 5.400 4.449 4.281 4.506 . 0 0 "[ . 1 . 2 . 3]" 1 978 2 18 LYS H 2 19 TYR H 3.400 . 4.800 4.203 4.103 4.437 . 0 0 "[ . 1 . 2 . 3]" 1 979 2 17 VAL HB 2 18 LYS H 3.300 . 4.700 2.488 1.859 3.739 0.041 20 0 "[ . 1 . 2 . 3]" 1 980 2 17 VAL HA 2 18 LYS H 2.100 . 5.500 2.546 2.208 2.850 . 0 0 "[ . 1 . 2 . 3]" 1 981 2 19 TYR H 2 20 GLY H 3.600 . 5.200 4.416 4.203 4.548 . 0 0 "[ . 1 . 2 . 3]" 1 982 2 17 VAL MG2 2 19 TYR H 4.100 . 5.500 4.498 3.593 6.039 0.539 18 1 "[ . 1 . + 2 . 3]" 1 983 2 18 LYS QB 2 19 TYR H 3.200 . 4.500 3.693 3.425 3.805 . 0 0 "[ . 1 . 2 . 3]" 1 984 2 18 LYS HA 2 19 TYR H 2.100 . 5.500 2.216 2.149 2.255 . 0 0 "[ . 1 . 2 . 3]" 1 985 2 18 LYS QB 2 20 GLY H 4.100 . 5.500 4.893 4.327 5.309 . 0 0 "[ . 1 . 2 . 3]" 1 986 2 19 TYR HB2 2 20 GLY H 3.500 . 5.000 4.516 4.387 4.633 . 0 0 "[ . 1 . 2 . 3]" 1 987 2 19 TYR HB3 2 20 GLY H 3.500 . 5.000 4.049 3.656 4.324 . 0 0 "[ . 1 . 2 . 3]" 1 988 2 19 TYR HA 2 20 GLY H 2.600 . 3.400 2.155 2.137 2.197 . 0 0 "[ . 1 . 2 . 3]" 1 989 2 20 GLY HA2 2 21 ASN H 3.100 . 4.300 2.708 2.191 3.567 . 0 0 "[ . 1 . 2 . 3]" 1 990 2 20 GLY HA3 2 21 ASN H 3.200 . 4.500 3.490 2.633 3.570 . 0 0 "[ . 1 . 2 . 3]" 1 991 2 21 ASN H 2 22 ILE H 3.500 . 5.000 3.103 2.103 4.569 . 0 0 "[ . 1 . 2 . 3]" 1 992 2 21 ASN HB2 2 22 ILE H 4.100 . 5.500 3.852 2.052 4.666 . 0 0 "[ . 1 . 2 . 3]" 1 993 2 21 ASN HB3 2 22 ILE H 3.800 . 5.500 3.638 2.075 4.537 . 0 0 "[ . 1 . 2 . 3]" 1 994 2 21 ASN HA 2 22 ILE H 2.600 . 3.400 2.959 2.138 3.535 0.135 22 0 "[ . 1 . 2 . 3]" 1 995 1 8 THR HA 1 8 THR MG 2.100 . 5.500 3.216 3.201 3.230 . 0 0 "[ . 1 . 2 . 3]" 1 996 1 8 THR MG 1 33 GLN HB2 2.800 . 3.800 2.436 2.116 2.666 . 0 0 "[ . 1 . 2 . 3]" 1 997 1 8 THR MG 1 23 MET HB3 2.800 . 5.500 5.435 5.280 5.530 0.030 24 0 "[ . 1 . 2 . 3]" 1 998 1 8 THR MG 1 33 GLN QG 2.700 . 3.600 2.886 2.465 3.267 . 0 0 "[ . 1 . 2 . 3]" 1 999 1 8 THR MG 1 23 MET HB2 3.300 . 4.700 4.669 4.503 4.727 0.027 3 0 "[ . 1 . 2 . 3]" 1 1000 1 8 THR MG 1 11 MET HG3 3.200 . 4.500 4.480 4.433 4.512 0.012 27 0 "[ . 1 . 2 . 3]" 1 1001 1 8 THR HB 1 8 THR MG 1.800 . 2.200 2.078 2.069 2.116 . 0 0 "[ . 1 . 2 . 3]" 1 1002 1 8 THR MG 1 9 ALA HA 3.700 . 5.400 3.410 3.178 3.722 . 0 0 "[ . 1 . 2 . 3]" 1 1003 1 8 THR MG 1 24 LEU HA 3.300 . 4.700 3.719 3.410 4.035 . 0 0 "[ . 1 . 2 . 3]" 1 1004 1 9 ALA HA 1 12 LEU QD 2.200 . 2.800 2.231 1.914 2.387 . 0 0 "[ . 1 . 2 . 3]" 1 1005 1 9 ALA HA 1 9 ALA MB 1.800 . 2.200 2.109 2.090 2.129 . 0 0 "[ . 1 . 2 . 3]" 1 1006 1 9 ALA HA 1 12 LEU HB2 2.400 . 3.100 2.797 2.492 3.130 0.030 24 0 "[ . 1 . 2 . 3]" 1 1007 1 9 ALA MB 1 12 LEU QD 2.500 . 3.300 3.169 3.002 3.255 . 0 0 "[ . 1 . 2 . 3]" 1 1008 1 9 ALA MB 1 10 SER HA 2.900 . 4.000 3.825 3.761 3.899 . 0 0 "[ . 1 . 2 . 3]" 1 1009 1 8 THR HA 1 9 ALA MB 3.500 . 5.000 4.986 4.955 5.007 0.007 6 0 "[ . 1 . 2 . 3]" 1 1010 1 10 SER HA 1 13 ALA MB 2.300 . 3.000 3.030 3.004 3.056 0.056 12 0 "[ . 1 . 2 . 3]" 1 1011 1 10 SER HA 1 10 SER QB 2.000 . 2.500 2.429 2.287 2.524 0.024 27 0 "[ . 1 . 2 . 3]" 1 1012 1 9 ALA MB 1 10 SER QB 2.800 . 3.800 3.806 3.754 3.834 0.034 20 0 "[ . 1 . 2 . 3]" 1 1013 1 7 LEU HA 1 10 SER QB 3.500 . 5.000 4.117 3.339 4.881 . 0 0 "[ . 1 . 2 . 3]" 1 1014 1 10 SER QB 1 11 MET HA 3.200 . 4.500 4.049 3.862 4.374 . 0 0 "[ . 1 . 2 . 3]" 1 1015 1 11 MET HB2 1 12 LEU QD 3.100 . 3.300 3.269 3.085 3.315 0.015 17 0 "[ . 1 . 2 . 3]" 1 1016 1 11 MET HB2 1 23 MET HG3 2.800 . 5.500 4.423 3.949 4.886 . 0 0 "[ . 1 . 2 . 3]" 1 1017 1 11 MET HB2 1 23 MET HA 2.600 . 5.500 4.232 4.018 4.434 . 0 0 "[ . 1 . 2 . 3]" 1 1018 1 11 MET HA 1 11 MET HB2 2.600 . 3.400 3.023 3.017 3.029 . 0 0 "[ . 1 . 2 . 3]" 1 1019 1 11 MET HB2 1 11 MET HG3 2.200 . 2.800 2.244 2.232 2.256 . 0 0 "[ . 1 . 2 . 3]" 1 1020 1 11 MET ME 1 11 MET HG3 2.100 . 2.700 2.286 2.124 2.472 . 0 0 "[ . 1 . 2 . 3]" 1 1021 1 11 MET HB2 1 23 MET HB3 2.000 . 2.500 2.297 2.026 2.513 0.013 9 0 "[ . 1 . 2 . 3]" 1 1022 1 11 MET HA 1 11 MET HG2 2.300 . 3.000 2.505 2.439 2.551 . 0 0 "[ . 1 . 2 . 3]" 1 1023 1 55 LEU HB3 1 55 LEU QD 4.200 . 5.500 2.041 1.990 2.162 0.010 13 0 "[ . 1 . 2 . 3]" 1 1024 1 8 THR MG 1 11 MET ME 2.900 . 4.000 4.057 4.016 4.087 0.087 25 0 "[ . 1 . 2 . 3]" 1 1025 1 11 MET ME 1 22 GLN QG 2.500 . 3.300 3.254 3.185 3.318 0.018 25 0 "[ . 1 . 2 . 3]" 1 1026 1 11 MET ME 1 24 LEU HA 3.700 . 5.400 4.722 4.538 4.900 . 0 0 "[ . 1 . 2 . 3]" 1 1027 1 11 MET ME 1 23 MET HA 3.800 . 5.500 1.743 1.576 1.990 . 0 0 "[ . 1 . 2 . 3]" 1 1028 1 11 MET HA 1 11 MET ME 3.300 . 4.700 4.561 4.324 4.729 0.029 17 0 "[ . 1 . 2 . 3]" 1 1029 1 8 THR HB 1 11 MET ME 2.500 . 3.300 3.015 2.789 3.290 . 0 0 "[ . 1 . 2 . 3]" 1 1030 1 12 LEU HA 1 12 LEU QB 2.000 . 2.500 2.469 2.357 2.535 0.035 4 0 "[ . 1 . 2 . 3]" 1 1031 1 12 LEU HA 1 12 LEU QD . . 2.200 2.027 1.791 2.186 . 0 0 "[ . 1 . 2 . 3]" 1 1032 1 12 LEU HA 1 15 ALA MB 2.400 . 3.100 2.713 2.441 2.998 . 0 0 "[ . 1 . 2 . 3]" 1 1033 1 12 LEU HA 1 23 MET ME 3.000 . 5.500 2.062 1.566 3.410 . 0 0 "[ . 1 . 2 . 3]" 1 1034 1 12 LEU MD1 1 12 LEU MD2 1.800 . 2.200 2.025 1.910 2.088 . 0 0 "[ . 1 . 2 . 3]" 1 1035 1 8 THR MG 1 12 LEU QD 4.200 . 5.500 3.334 3.049 3.624 . 0 0 "[ . 1 . 2 . 3]" 1 1036 1 12 LEU QD 1 15 ALA MB 2.300 . 5.500 3.570 3.329 3.784 . 0 0 "[ . 1 . 2 . 3]" 1 1037 1 11 MET HB3 1 12 LEU QD 3.400 . 4.800 4.288 4.135 4.421 . 0 0 "[ . 1 . 2 . 3]" 1 1038 1 12 LEU QD 1 27 ARG HA 3.200 . 4.500 4.222 4.112 4.315 . 0 0 "[ . 1 . 2 . 3]" 1 1039 1 13 ALA MB 1 14 SER HA 3.100 . 4.300 3.922 3.870 3.981 . 0 0 "[ . 1 . 2 . 3]" 1 1040 1 14 SER HA 1 15 ALA MB 3.800 . 5.500 4.636 4.472 4.693 . 0 0 "[ . 1 . 2 . 3]" 1 1041 1 11 MET HA 1 14 SER HB2 2.600 . 3.400 3.084 2.096 4.384 0.984 14 7 "[* -. *1 +. * . **3]" 1 1042 1 14 SER QB 1 15 ALA MB 3.800 . 5.500 4.091 3.721 4.593 . 0 0 "[ . 1 . 2 . 3]" 1 1043 1 13 ALA MB 1 14 SER HB2 3.400 . 4.800 4.340 3.709 4.961 0.161 4 0 "[ . 1 . 2 . 3]" 1 1044 1 15 ALA HA 1 19 GLU QG 3.300 . 4.700 2.964 2.631 3.369 . 0 0 "[ . 1 . 2 . 3]" 1 1045 1 15 ALA HA 1 19 GLU HB3 3.000 . 4.100 3.670 3.128 4.115 0.015 24 0 "[ . 1 . 2 . 3]" 1 1046 1 11 MET HB3 1 15 ALA HA 2.800 . 5.500 5.566 5.364 5.640 0.140 17 0 "[ . 1 . 2 . 3]" 1 1047 1 15 ALA HA 1 23 MET ME 3.100 . 4.300 4.186 3.989 4.312 0.012 5 0 "[ . 1 . 2 . 3]" 1 1048 1 15 ALA HA 1 15 ALA MB 2.000 . 2.500 2.099 2.070 2.120 . 0 0 "[ . 1 . 2 . 3]" 1 1049 1 14 SER HB3 1 15 ALA HA 1.900 . 5.500 4.958 4.427 5.859 0.359 20 0 "[ . 1 . 2 . 3]" 1 1050 1 15 ALA MB 1 23 MET ME 2.100 . 2.700 1.814 1.650 2.047 . 0 0 "[ . 1 . 2 . 3]" 1 1051 1 15 ALA MB 1 19 GLU HB2 2.200 . 2.800 2.532 1.737 3.275 0.475 26 0 "[ . 1 . 2 . 3]" 1 1052 1 11 MET HB3 1 15 ALA MB 2.800 . 3.800 3.287 2.951 3.768 . 0 0 "[ . 1 . 2 . 3]" 1 1053 1 11 MET ME 1 15 ALA MB 2.600 . 5.500 4.666 4.290 5.059 . 0 0 "[ . 1 . 2 . 3]" 1 1054 1 15 ALA MB 1 19 GLU HB3 2.100 . 5.500 1.830 1.522 2.299 . 0 0 "[ . 1 . 2 . 3]" 1 1055 1 15 ALA MB 1 19 GLU QG 2.200 . 2.800 2.268 1.847 2.730 . 0 0 "[ . 1 . 2 . 3]" 1 1056 1 15 ALA MB 1 22 GLN QG 2.200 . 5.500 4.159 3.523 4.898 . 0 0 "[ . 1 . 2 . 3]" 1 1057 1 15 ALA MB 1 23 MET HG2 2.200 . 2.800 2.055 1.888 2.270 . 0 0 "[ . 1 . 2 . 3]" 1 1058 1 15 ALA MB 1 23 MET HG3 3.200 . 4.500 2.706 2.191 3.054 . 0 0 "[ . 1 . 2 . 3]" 1 1059 1 18 GLN HA 1 18 GLN HG3 2.500 . 3.300 2.931 2.128 3.612 0.312 16 0 "[ . 1 . 2 . 3]" 1 1060 1 18 GLN HA 1 18 GLN HG2 2.700 . 3.600 2.657 2.113 3.712 0.112 22 0 "[ . 1 . 2 . 3]" 1 1061 1 15 ALA MB 1 19 GLU HA 3.400 . 4.800 4.273 4.177 4.436 . 0 0 "[ . 1 . 2 . 3]" 1 1062 1 19 GLU QG 1 23 MET ME 1.900 . 5.500 3.938 3.278 4.504 . 0 0 "[ . 1 . 2 . 3]" 1 1063 1 19 GLU QG 1 23 MET HG2 2.700 . 5.500 4.030 3.091 4.733 . 0 0 "[ . 1 . 2 . 3]" 1 1064 1 19 GLU QG 1 23 MET HG3 2.900 . 4.000 3.400 2.604 4.092 0.092 18 0 "[ . 1 . 2 . 3]" 1 1065 1 19 GLU HA 1 19 GLU QG 2.200 . 2.800 2.488 2.154 2.784 . 0 0 "[ . 1 . 2 . 3]" 1 1066 1 20 GLN HA 1 20 GLN HG3 2.100 . 5.500 3.561 3.328 4.133 . 0 0 "[ . 1 . 2 . 3]" 1 1067 1 20 GLN HA 1 55 LEU QD 2.200 . 5.500 4.989 4.730 5.180 . 0 0 "[ . 1 . 2 . 3]" 1 1068 1 20 GLN HA 1 24 LEU HG 3.200 . 4.500 4.093 3.162 4.600 0.100 17 0 "[ . 1 . 2 . 3]" 1 1069 1 20 GLN HA 1 21 LYS HB3 3.000 . 5.500 4.867 4.670 5.538 0.038 26 0 "[ . 1 . 2 . 3]" 1 1070 1 20 GLN HA 1 23 MET ME 2.400 . 3.100 2.763 1.760 3.119 0.019 29 0 "[ . 1 . 2 . 3]" 1 1071 1 20 GLN HA 1 20 GLN QB 2.300 . 3.000 2.158 2.145 2.175 . 0 0 "[ . 1 . 2 . 3]" 1 1072 1 20 GLN HA 1 23 MET HG3 3.300 . 4.700 4.419 3.507 4.718 0.018 11 0 "[ . 1 . 2 . 3]" 1 1073 1 20 GLN QB 1 20 GLN HG2 2.200 . 2.800 2.193 2.123 2.487 . 0 0 "[ . 1 . 2 . 3]" 1 1074 1 21 LYS HA 1 48 LEU QD 2.700 . 3.600 3.539 3.313 3.615 0.015 27 0 "[ . 1 . 2 . 3]" 1 1075 1 21 LYS HA 1 21 LYS QE 3.800 . 5.500 4.524 3.841 4.991 . 0 0 "[ . 1 . 2 . 3]" 1 1076 1 21 LYS HB2 1 21 LYS HD3 2.900 . 4.000 2.928 2.346 4.095 0.095 26 0 "[ . 1 . 2 . 3]" 1 1077 1 21 LYS HB2 1 21 LYS HD2 2.900 . 4.000 3.072 1.980 3.869 . 0 0 "[ . 1 . 2 . 3]" 1 1078 1 21 LYS HD3 1 21 LYS QE 3.000 . 4.100 2.318 2.137 2.528 . 0 0 "[ . 1 . 2 . 3]" 1 1079 1 21 LYS HD2 1 21 LYS QE 3.000 . 4.100 2.354 2.139 2.529 . 0 0 "[ . 1 . 2 . 3]" 1 1080 1 21 LYS HA 1 21 LYS HD3 3.000 . 5.500 4.417 3.554 5.471 . 0 0 "[ . 1 . 2 . 3]" 1 1081 1 21 LYS HA 1 21 LYS HD2 3.300 . 5.500 4.590 3.705 4.974 . 0 0 "[ . 1 . 2 . 3]" 1 1082 1 22 GLN HA 1 22 GLN QG 2.200 . 2.800 2.686 2.482 2.787 . 0 0 "[ . 1 . 2 . 3]" 1 1083 1 22 GLN HA 1 22 GLN HB2 2.400 . 3.100 2.403 2.367 2.461 . 0 0 "[ . 1 . 2 . 3]" 1 1084 1 22 GLN HA 1 25 GLY HA2 2.700 . 5.500 5.115 4.933 5.264 . 0 0 "[ . 1 . 2 . 3]" 1 1085 1 21 LYS QE 1 22 GLN HA 2.800 . 5.500 3.592 2.815 4.916 . 0 0 "[ . 1 . 2 . 3]" 1 1086 1 23 MET HA 1 24 LEU QD 3.500 . 5.000 4.744 4.577 4.877 . 0 0 "[ . 1 . 2 . 3]" 1 1087 1 23 MET HA 1 23 MET HG3 2.400 . 5.500 3.370 3.320 3.446 . 0 0 "[ . 1 . 2 . 3]" 1 1088 1 23 MET HA 1 23 MET HB2 2.200 . 2.800 2.753 2.696 2.778 . 0 0 "[ . 1 . 2 . 3]" 1 1089 1 23 MET HA 1 23 MET HB3 2.000 . 2.500 2.236 2.226 2.263 . 0 0 "[ . 1 . 2 . 3]" 1 1090 1 12 LEU QD 1 23 MET HB2 2.700 . 3.600 2.525 2.071 2.928 . 0 0 "[ . 1 . 2 . 3]" 1 1091 1 12 LEU QD 1 23 MET HB3 2.900 . 4.000 3.674 3.337 4.008 0.008 4 0 "[ . 1 . 2 . 3]" 1 1092 1 23 MET HG3 1 24 LEU QD 3.700 . 5.400 4.083 3.215 4.467 . 0 0 "[ . 1 . 2 . 3]" 1 1093 1 12 LEU QD 1 23 MET HG3 3.100 . 4.300 4.142 3.868 4.298 . 0 0 "[ . 1 . 2 . 3]" 1 1094 1 23 MET HB3 1 23 MET HG3 2.200 . 2.800 2.582 2.463 2.844 0.044 12 0 "[ . 1 . 2 . 3]" 1 1095 1 23 MET HB2 1 23 MET HG3 2.300 . 3.000 2.980 2.819 3.011 0.011 18 0 "[ . 1 . 2 . 3]" 1 1096 1 23 MET HG2 1 24 LEU QD 3.700 . 5.400 4.270 4.068 4.573 . 0 0 "[ . 1 . 2 . 3]" 1 1097 1 12 LEU QD 1 23 MET HG2 2.900 . 4.000 3.153 2.569 3.976 . 0 0 "[ . 1 . 2 . 3]" 1 1098 1 23 MET HB2 1 23 MET HG2 2.300 . 3.000 2.572 2.457 2.843 . 0 0 "[ . 1 . 2 . 3]" 1 1099 1 23 MET HB3 1 23 MET HG2 2.100 . 2.700 1.990 1.892 2.138 . 0 0 "[ . 1 . 2 . 3]" 1 1100 1 23 MET HA 1 23 MET HG2 2.200 . 5.500 4.068 3.829 4.148 . 0 0 "[ . 1 . 2 . 3]" 1 1101 1 23 MET ME 1 24 LEU QD 2.800 . 3.400 2.343 1.825 2.698 . 0 0 "[ . 1 . 2 . 3]" 1 1102 1 12 LEU QD 1 23 MET ME 2.400 . 3.100 2.153 1.710 3.093 . 0 0 "[ . 1 . 2 . 3]" 1 1103 1 23 MET HA 1 23 MET ME 2.700 . 5.500 5.188 4.985 5.294 . 0 0 "[ . 1 . 2 . 3]" 1 1104 1 24 LEU HA 1 24 LEU HB2 2.400 . 3.100 2.386 2.257 2.569 . 0 0 "[ . 1 . 2 . 3]" 1 1105 1 23 MET HB3 1 24 LEU HA 3.100 . 5.500 4.674 4.525 4.830 . 0 0 "[ . 1 . 2 . 3]" 1 1106 1 24 LEU HA 1 24 LEU QD 2.100 . 4.000 3.259 3.190 3.324 . 0 0 "[ . 1 . 2 . 3]" 1 1107 1 12 LEU QD 1 24 LEU HA 2.500 . 5.500 3.519 3.349 3.773 . 0 0 "[ . 1 . 2 . 3]" 1 1108 1 24 LEU HA 1 24 LEU HB3 2.400 . 3.100 2.508 2.309 2.664 . 0 0 "[ . 1 . 2 . 3]" 1 1109 1 24 LEU HB3 1 24 LEU HG 2.600 . 3.400 2.780 2.423 3.018 . 0 0 "[ . 1 . 2 . 3]" 1 1110 1 24 LEU HB3 1 24 LEU QD 2.200 . 2.800 2.173 2.050 2.333 . 0 0 "[ . 1 . 2 . 3]" 1 1111 1 24 LEU HA 1 24 LEU HG 2.800 . 3.800 3.699 3.627 3.744 . 0 0 "[ . 1 . 2 . 3]" 1 1112 1 24 LEU QD 1 48 LEU QD 2.800 . 5.500 4.225 4.037 4.463 . 0 0 "[ . 1 . 2 . 3]" 1 1113 1 24 LEU QD 1 55 LEU QD 1.900 . 5.500 2.780 2.512 2.956 . 0 0 "[ . 1 . 2 . 3]" 1 1114 1 24 LEU QD 1 55 LEU HB2 2.600 . 5.500 4.507 4.380 4.675 . 0 0 "[ . 1 . 2 . 3]" 1 1115 1 24 LEU QD 1 28 LEU HB2 3.900 . 5.500 5.158 4.961 5.281 . 0 0 "[ . 1 . 2 . 3]" 1 1116 1 15 ALA MB 1 24 LEU QD 3.100 . 5.500 4.332 3.942 4.522 . 0 0 "[ . 1 . 2 . 3]" 1 1117 1 24 LEU QD 1 24 LEU HG 1.900 . 2.400 1.873 1.856 1.885 . 0 0 "[ . 1 . 2 . 3]" 1 1118 1 24 LEU HB2 1 24 LEU QD 2.200 . 3.000 2.247 2.054 2.397 . 0 0 "[ . 1 . 2 . 3]" 1 1119 1 20 GLN QB 1 24 LEU QD 2.600 . 3.400 2.377 1.973 2.688 0.027 12 0 "[ . 1 . 2 . 3]" 1 1120 1 20 GLN QG 1 24 LEU QD 3.500 . 5.000 3.798 2.739 4.168 . 0 0 "[ . 1 . 2 . 3]" 1 1121 1 24 LEU QD 1 25 GLY HA3 2.800 . 3.800 3.721 3.654 3.777 . 0 0 "[ . 1 . 2 . 3]" 1 1122 1 20 GLN HA 1 24 LEU QD 3.000 . 4.100 1.893 1.826 2.046 0.074 18 0 "[ . 1 . 2 . 3]" 1 1123 1 21 LYS HA 1 24 LEU QD 2.900 . 4.000 3.999 3.837 4.054 0.054 9 0 "[ . 1 . 2 . 3]" 1 1124 1 24 LEU QD 1 26 GLU HA 2.500 . 3.300 3.303 3.241 3.343 0.043 4 0 "[ . 1 . 2 . 3]" 1 1125 1 23 MET HB2 1 24 LEU QD 3.300 . 4.700 3.693 3.567 3.920 . 0 0 "[ . 1 . 2 . 3]" 1 1126 1 24 LEU QD 1 59 LEU QB 3.100 . 5.500 4.867 4.468 5.115 . 0 0 "[ . 1 . 2 . 3]" 1 1127 1 12 LEU QD 1 24 LEU QD 2.100 . 2.700 2.003 1.803 2.310 . 0 0 "[ . 1 . 2 . 3]" 1 1128 1 25 GLY HA3 1 48 LEU QD 2.500 . 3.300 1.917 1.691 2.223 0.009 24 0 "[ . 1 . 2 . 3]" 1 1129 1 25 GLY HA3 1 28 LEU QD 3.400 . 4.800 3.880 3.406 4.147 . 0 0 "[ . 1 . 2 . 3]" 1 1130 1 25 GLY HA3 1 44 THR MG 2.400 . 5.500 4.969 3.358 5.525 0.025 24 0 "[ . 1 . 2 . 3]" 1 1131 1 25 GLY HA3 1 28 LEU HB2 3.200 . 4.500 3.579 3.449 3.671 . 0 0 "[ . 1 . 2 . 3]" 1 1132 1 25 GLY HA2 1 48 LEU QD 2.400 . 3.100 2.476 2.261 2.696 . 0 0 "[ . 1 . 2 . 3]" 1 1133 1 25 GLY HA2 1 28 LEU QD 4.200 . 5.500 5.167 4.724 5.399 . 0 0 "[ . 1 . 2 . 3]" 1 1134 1 25 GLY HA2 1 28 LEU HB2 3.700 . 5.400 5.341 5.212 5.435 0.035 16 0 "[ . 1 . 2 . 3]" 1 1135 1 26 GLU HA 1 50 ILE MG 3.000 . 5.500 4.478 4.331 4.849 . 0 0 "[ . 1 . 2 . 3]" 1 1136 1 26 GLU HA 1 55 LEU HB2 3.300 . 4.700 3.857 3.663 4.251 . 0 0 "[ . 1 . 2 . 3]" 1 1137 1 26 GLU HA 1 27 ARG HB3 2.800 . 5.500 5.513 5.263 5.916 0.416 8 0 "[ . 1 . 2 . 3]" 1 1138 1 26 GLU HA 1 26 GLU QG 2.700 . 3.300 2.385 2.197 2.616 . 0 0 "[ . 1 . 2 . 3]" 1 1139 1 26 GLU HB3 1 50 ILE MD 2.600 . 5.500 4.932 4.588 5.298 . 0 0 "[ . 1 . 2 . 3]" 1 1140 1 26 GLU HB2 1 50 ILE MD 2.600 . 5.500 4.872 4.517 5.162 . 0 0 "[ . 1 . 2 . 3]" 1 1141 1 26 GLU HB3 1 50 ILE MG 2.400 . 3.100 2.703 2.517 2.897 . 0 0 "[ . 1 . 2 . 3]" 1 1142 1 26 GLU HB3 1 55 LEU HG 3.200 . 4.500 4.438 4.237 4.530 0.030 19 0 "[ . 1 . 2 . 3]" 1 1143 1 26 GLU HB3 1 26 GLU QG 2.300 . 3.000 2.170 2.152 2.371 . 0 0 "[ . 1 . 2 . 3]" 1 1144 1 26 GLU HB2 1 26 GLU QG 2.300 . 3.000 2.343 2.245 2.428 . 0 0 "[ . 1 . 2 . 3]" 1 1145 1 26 GLU HB3 1 58 MET QG 3.700 . 5.400 5.350 5.051 5.468 0.068 24 0 "[ . 1 . 2 . 3]" 1 1146 1 26 GLU HB2 1 28 LEU HA 3.000 . 5.500 5.365 5.120 5.494 . 0 0 "[ . 1 . 2 . 3]" 1 1147 1 26 GLU QG 1 52 ASN HB2 2.700 . 5.500 4.109 3.400 4.370 . 0 0 "[ . 1 . 2 . 3]" 1 1148 1 24 LEU HA 1 27 ARG HA 2.600 . 5.500 4.485 4.353 4.670 . 0 0 "[ . 1 . 2 . 3]" 1 1149 1 27 ARG HA 1 27 ARG HB2 2.300 . 3.000 2.474 2.280 2.539 . 0 0 "[ . 1 . 2 . 3]" 1 1150 1 27 ARG HA 1 27 ARG HB3 2.700 . 3.600 3.024 2.934 3.036 . 0 0 "[ . 1 . 2 . 3]" 1 1151 1 26 GLU HB3 1 27 ARG HA 3.300 . 4.700 4.554 4.490 4.793 0.093 29 0 "[ . 1 . 2 . 3]" 1 1152 1 24 LEU QD 1 27 ARG HA 3.200 . 4.500 2.267 1.924 2.531 . 0 0 "[ . 1 . 2 . 3]" 1 1153 1 27 ARG HA 1 59 LEU QD 3.300 . 4.700 4.444 4.066 4.700 0.000 16 0 "[ . 1 . 2 . 3]" 1 1154 1 27 ARG HB3 1 27 ARG QD 3.000 . 3.600 3.238 2.359 3.306 . 0 0 "[ . 1 . 2 . 3]" 1 1155 1 27 ARG HB3 1 55 LEU QD 3.500 . 3.600 2.889 2.488 3.105 . 0 0 "[ . 1 . 2 . 3]" 1 1156 1 24 LEU QD 1 27 ARG HB2 3.600 . 5.200 3.325 2.959 3.754 . 0 0 "[ . 1 . 2 . 3]" 1 1157 1 27 ARG HB2 1 31 LEU QD 2.900 . 4.000 3.820 3.652 3.953 . 0 0 "[ . 1 . 2 . 3]" 1 1158 1 24 LEU QD 1 27 ARG QG 2.900 . 4.000 3.505 2.537 3.868 . 0 0 "[ . 1 . 2 . 3]" 1 1159 1 27 ARG QG 1 59 LEU QD 2.800 . 5.500 2.072 1.433 2.845 . 0 0 "[ . 1 . 2 . 3]" 1 1160 1 27 ARG QG 1 31 LEU QD 2.600 . 3.400 1.784 1.388 3.297 0.412 22 0 "[ . 1 . 2 . 3]" 1 1161 1 24 LEU HA 1 27 ARG QD 3.700 . 5.400 4.946 4.537 5.130 . 0 0 "[ . 1 . 2 . 3]" 1 1162 1 27 ARG HA 1 27 ARG QD 2.400 . 3.100 1.995 1.687 2.206 0.013 8 0 "[ . 1 . 2 . 3]" 1 1163 1 27 ARG QD 1 59 LEU QB 3.400 . 4.700 3.616 3.126 4.066 . 0 0 "[ . 1 . 2 . 3]" 1 1164 1 27 ARG QD 1 27 ARG QG 2.200 . 2.800 2.071 2.040 2.090 . 0 0 "[ . 1 . 2 . 3]" 1 1165 1 27 ARG QD 1 55 LEU QD 2.900 . 4.000 2.936 2.363 3.620 . 0 0 "[ . 1 . 2 . 3]" 1 1166 1 27 ARG QD 1 59 LEU QD 2.500 . 3.300 2.549 2.166 2.904 . 0 0 "[ . 1 . 2 . 3]" 1 1167 1 28 LEU HB3 1 28 LEU QD 2.400 . 2.500 2.167 1.963 2.337 . 0 0 "[ . 1 . 2 . 3]" 1 1168 1 28 LEU HB3 1 44 THR MG 2.900 . 4.000 3.703 2.090 3.881 . 0 0 "[ . 1 . 2 . 3]" 1 1169 1 28 LEU HB3 1 31 LEU QD 2.700 . 5.500 3.831 3.551 3.989 . 0 0 "[ . 1 . 2 . 3]" 1 1170 1 25 GLY HA3 1 28 LEU HB3 3.500 . 5.000 5.100 5.040 5.178 0.178 30 0 "[ . 1 . 2 . 3]" 1 1171 1 28 LEU HA 1 28 LEU HB3 2.600 . 3.400 2.689 2.609 2.722 . 0 0 "[ . 1 . 2 . 3]" 1 1172 1 28 LEU QD 1 48 LEU QD 3.200 . 3.800 2.379 1.938 2.956 0.062 15 0 "[ . 1 . 2 . 3]" 1 1173 1 28 LEU QD 1 32 ILE MD 2.000 . 2.500 1.881 1.553 2.200 . 0 0 "[ . 1 . 2 . 3]" 1 1174 1 28 LEU QD 1 43 ILE MG 2.400 . 3.100 3.042 2.634 3.167 0.067 28 0 "[ . 1 . 2 . 3]" 1 1175 1 28 LEU QD 1 69 VAL QG 2.700 . 3.600 2.795 2.607 3.008 . 0 0 "[ . 1 . 2 . 3]" 1 1176 1 28 LEU QD 1 47 LEU HB2 2.300 . 3.000 1.920 1.619 2.368 . 0 0 "[ . 1 . 2 . 3]" 1 1177 1 28 LEU QD 1 47 LEU HB3 2.500 . 3.300 2.395 2.080 3.020 . 0 0 "[ . 1 . 2 . 3]" 1 1178 1 26 GLU HB2 1 28 LEU QD 3.100 . 5.500 2.283 2.047 2.479 . 0 0 "[ . 1 . 2 . 3]" 1 1179 1 28 LEU HA 1 28 LEU QD 2.700 . 3.600 2.413 1.855 2.915 . 0 0 "[ . 1 . 2 . 3]" 1 1180 1 29 PHE HA 1 32 ILE MD 2.600 . 3.400 3.137 2.803 3.420 0.020 29 0 "[ . 1 . 2 . 3]" 1 1181 1 29 PHE HA 1 44 THR MG 2.700 . 3.600 3.354 3.085 3.628 0.028 26 0 "[ . 1 . 2 . 3]" 1 1182 1 29 PHE HA 1 40 ALA MB 2.700 . 3.600 3.255 2.913 3.706 0.106 23 0 "[ . 1 . 2 . 3]" 1 1183 1 29 PHE HA 1 32 ILE HB 2.700 . 3.600 3.442 3.258 3.622 0.022 29 0 "[ . 1 . 2 . 3]" 1 1184 1 29 PHE HA 1 33 GLN QB 3.400 . 4.800 4.235 4.109 4.357 . 0 0 "[ . 1 . 2 . 3]" 1 1185 1 29 PHE HA 1 29 PHE HB2 2.300 . 3.000 2.758 2.707 2.804 . 0 0 "[ . 1 . 2 . 3]" 1 1186 1 29 PHE HA 1 29 PHE HB3 2.400 . 3.100 2.913 2.876 2.947 . 0 0 "[ . 1 . 2 . 3]" 1 1187 1 29 PHE HB3 1 44 THR MG 3.300 . 4.700 4.366 4.117 4.549 . 0 0 "[ . 1 . 2 . 3]" 1 1188 1 29 PHE HB2 1 44 THR MG 3.100 . 4.300 3.225 2.661 3.576 . 0 0 "[ . 1 . 2 . 3]" 1 1189 1 29 PHE HB3 1 40 ALA MB 2.900 . 5.500 5.052 4.786 5.538 0.038 23 0 "[ . 1 . 2 . 3]" 1 1190 1 8 THR MG 1 29 PHE HB3 3.100 . 4.300 2.078 1.895 2.412 0.005 16 0 "[ . 1 . 2 . 3]" 1 1191 1 8 THR MG 1 29 PHE HB2 3.000 . 5.500 3.571 3.357 3.887 . 0 0 "[ . 1 . 2 . 3]" 1 1192 1 24 LEU HA 1 29 PHE HB3 2.400 . 3.100 2.699 2.363 2.976 . 0 0 "[ . 1 . 2 . 3]" 1 1193 1 24 LEU HA 1 29 PHE HB2 2.400 . 5.500 2.473 2.183 2.891 . 0 0 "[ . 1 . 2 . 3]" 1 1194 1 31 LEU HA 1 31 LEU HB3 2.200 . 2.800 2.241 2.218 2.266 . 0 0 "[ . 1 . 2 . 3]" 1 1195 1 31 LEU HA 1 31 LEU HG 2.200 . 5.500 3.258 3.202 3.377 . 0 0 "[ . 1 . 2 . 3]" 1 1196 1 31 LEU HA 1 31 LEU QD 1.800 . 5.500 3.014 2.892 3.265 . 0 0 "[ . 1 . 2 . 3]" 1 1197 1 31 LEU HA 1 34 ALA MB 2.200 . 5.500 3.525 2.984 3.746 . 0 0 "[ . 1 . 2 . 3]" 1 1198 1 31 LEU HB2 1 65 LEU QD 2.900 . 3.300 2.430 2.284 2.523 . 0 0 "[ . 1 . 2 . 3]" 1 1199 1 31 LEU HB2 1 31 LEU QD 2.300 . 3.000 1.994 1.883 2.103 . 0 0 "[ . 1 . 2 . 3]" 1 1200 1 31 LEU HB2 1 31 LEU HG 2.400 . 3.100 2.755 2.698 2.863 . 0 0 "[ . 1 . 2 . 3]" 1 1201 1 31 LEU HA 1 31 LEU HB2 2.400 . 3.100 2.902 2.787 2.940 . 0 0 "[ . 1 . 2 . 3]" 1 1202 1 31 LEU HB3 1 31 LEU QD 2.900 . 4.000 1.973 1.886 2.084 . 0 0 "[ . 1 . 2 . 3]" 1 1203 1 31 LEU QD 1 31 LEU HG 1.900 . 2.400 1.872 1.856 1.889 . 0 0 "[ . 1 . 2 . 3]" 1 1204 1 28 LEU HA 1 31 LEU QD 2.900 . 4.000 1.639 1.417 1.893 0.383 19 0 "[ . 1 . 2 . 3]" 1 1205 1 32 ILE HA 1 32 ILE MD 2.100 . 5.500 3.950 3.864 4.018 . 0 0 "[ . 1 . 2 . 3]" 1 1206 1 32 ILE HA 1 32 ILE MG 2.100 . 2.700 2.045 1.978 2.127 . 0 0 "[ . 1 . 2 . 3]" 1 1207 1 32 ILE HA 1 69 VAL QG 2.700 . 3.800 2.549 2.410 2.729 . 0 0 "[ . 1 . 2 . 3]" 1 1208 1 31 LEU HB2 1 32 ILE HA 3.200 . 4.500 3.868 3.821 3.922 . 0 0 "[ . 1 . 2 . 3]" 1 1209 1 32 ILE HA 1 34 ALA MB 3.700 . 5.400 4.359 4.227 4.466 . 0 0 "[ . 1 . 2 . 3]" 1 1210 1 32 ILE HA 1 72 ALA MB 3.700 . 5.400 5.354 5.204 5.437 0.037 1 0 "[ . 1 . 2 . 3]" 1 1211 1 32 ILE HA 1 32 ILE HB 2.400 . 3.100 2.938 2.886 2.966 . 0 0 "[ . 1 . 2 . 3]" 1 1212 1 32 ILE HA 1 35 MET ME 2.500 . 3.300 2.803 2.553 3.301 0.001 28 0 "[ . 1 . 2 . 3]" 1 1213 1 32 ILE HA 1 35 MET HB2 2.600 . 3.400 2.260 2.112 2.610 . 0 0 "[ . 1 . 2 . 3]" 1 1214 1 32 ILE HA 1 35 MET HG2 3.000 . 4.100 4.078 2.677 4.184 0.084 16 0 "[ . 1 . 2 . 3]" 1 1215 1 32 ILE HA 1 35 MET HG3 2.800 . 3.800 2.579 1.714 2.726 0.086 29 0 "[ . 1 . 2 . 3]" 1 1216 1 31 LEU HA 1 32 ILE HA 3.700 . 5.400 4.678 4.651 4.718 . 0 0 "[ . 1 . 2 . 3]" 1 1217 1 32 ILE HB 1 43 ILE MD 2.500 . 5.500 3.672 3.349 3.936 . 0 0 "[ . 1 . 2 . 3]" 1 1218 1 32 ILE HB 1 32 ILE MD 2.200 . 2.800 2.522 2.400 2.626 . 0 0 "[ . 1 . 2 . 3]" 1 1219 1 32 ILE HB 1 69 VAL QG 3.800 . 4.500 3.696 3.585 3.842 . 0 0 "[ . 1 . 2 . 3]" 1 1220 1 32 ILE HB 1 72 ALA MB 3.400 . 5.500 5.468 5.358 5.554 0.054 29 0 "[ . 1 . 2 . 3]" 1 1221 1 32 ILE HB 1 33 GLN QB 2.500 . 5.500 4.682 4.489 4.737 . 0 0 "[ . 1 . 2 . 3]" 1 1222 1 32 ILE HB 1 40 ALA HA 3.400 . 4.800 2.578 2.221 3.359 . 0 0 "[ . 1 . 2 . 3]" 1 1223 1 32 ILE MD 1 32 ILE MG 2.100 . 2.700 1.697 1.550 1.999 . 0 0 "[ . 1 . 2 . 3]" 1 1224 1 32 ILE MG 1 69 VAL QG 2.900 . 3.000 1.976 1.841 2.144 . 0 0 "[ . 1 . 2 . 3]" 1 1225 1 32 ILE HB 1 32 ILE MG 2.000 . 2.500 2.117 2.097 2.127 . 0 0 "[ . 1 . 2 . 3]" 1 1226 1 32 ILE MG 1 35 MET HB3 2.900 . 4.000 3.491 3.370 3.706 . 0 0 "[ . 1 . 2 . 3]" 1 1227 1 32 ILE MG 1 40 ALA HA 2.300 . 3.000 2.230 2.004 2.744 . 0 0 "[ . 1 . 2 . 3]" 1 1228 1 32 ILE MD 1 43 ILE MG 2.000 . 2.500 2.066 1.925 2.203 . 0 0 "[ . 1 . 2 . 3]" 1 1229 1 32 ILE MD 1 69 VAL QG 2.400 . 2.700 2.384 2.247 2.472 . 0 0 "[ . 1 . 2 . 3]" 1 1230 1 28 LEU HB2 1 32 ILE MD 2.200 . 5.500 4.065 3.821 4.195 . 0 0 "[ . 1 . 2 . 3]" 1 1231 1 32 ILE MD 1 47 LEU HB2 2.600 . 5.500 3.869 3.517 4.270 . 0 0 "[ . 1 . 2 . 3]" 1 1232 1 32 ILE MD 1 43 ILE HB 1.900 . 2.400 1.702 1.518 2.013 . 0 0 "[ . 1 . 2 . 3]" 1 1233 1 32 ILE MD 1 69 VAL HB 3.400 . 5.500 4.960 4.806 5.089 . 0 0 "[ . 1 . 2 . 3]" 1 1234 1 32 ILE MD 1 69 VAL HA 3.200 . 4.500 4.314 4.087 4.499 . 0 0 "[ . 1 . 2 . 3]" 1 1235 1 32 ILE MD 1 44 THR HB 2.400 . 3.100 2.309 2.026 3.117 0.017 29 0 "[ . 1 . 2 . 3]" 1 1236 1 32 ILE MD 1 43 ILE HA 3.700 . 5.400 4.023 3.869 4.227 . 0 0 "[ . 1 . 2 . 3]" 1 1237 1 32 ILE MD 1 40 ALA HA 3.000 . 4.100 3.014 2.790 3.758 . 0 0 "[ . 1 . 2 . 3]" 1 1238 1 28 LEU HA 1 32 ILE MD 2.900 . 4.000 3.539 3.358 3.693 . 0 0 "[ . 1 . 2 . 3]" 1 1239 1 32 ILE MD 1 41 GLY HA2 3.300 . 5.500 5.482 5.095 5.557 0.057 2 0 "[ . 1 . 2 . 3]" 1 1240 1 33 GLN HA 1 33 GLN QG 2.900 . 3.300 2.808 2.491 3.103 . 0 0 "[ . 1 . 2 . 3]" 1 1241 1 33 GLN HA 1 40 ALA MB 2.200 . 2.800 2.624 2.550 2.767 . 0 0 "[ . 1 . 2 . 3]" 1 1242 1 8 THR MG 1 33 GLN HA 2.400 . 5.500 4.164 3.931 4.567 . 0 0 "[ . 1 . 2 . 3]" 1 1243 1 32 ILE HB 1 33 GLN HA 4.200 . 5.500 4.094 4.064 4.151 . 0 0 "[ . 1 . 2 . 3]" 1 1244 1 29 PHE HA 1 33 GLN HA 3.700 . 5.400 5.078 4.944 5.365 . 0 0 "[ . 1 . 2 . 3]" 1 1245 1 33 GLN HA 1 33 GLN HB2 2.300 . 3.000 2.393 2.320 2.459 . 0 0 "[ . 1 . 2 . 3]" 1 1246 1 29 PHE HA 1 33 GLN HB2 2.200 . 5.500 4.414 4.253 4.533 . 0 0 "[ . 1 . 2 . 3]" 1 1247 1 33 GLN HB2 1 33 GLN QG 2.500 . 3.300 2.307 2.130 2.497 . 0 0 "[ . 1 . 2 . 3]" 1 1248 1 33 GLN HB2 1 33 GLN HG2 2.300 . 3.000 2.381 2.135 2.677 . 0 0 "[ . 1 . 2 . 3]" 1 1249 1 33 GLN HB2 1 40 ALA MB 2.400 . 5.500 3.844 3.686 3.900 . 0 0 "[ . 1 . 2 . 3]" 1 1250 1 34 ALA HA 1 34 ALA MB 1.700 . 2.200 2.112 2.084 2.133 . 0 0 "[ . 1 . 2 . 3]" 1 1251 1 33 GLN QG 1 34 ALA HA 3.200 . 4.100 3.685 3.373 3.985 . 0 0 "[ . 1 . 2 . 3]" 1 1252 1 35 MET HA 1 35 MET HG3 2.200 . 5.500 3.342 3.234 3.890 . 0 0 "[ . 1 . 2 . 3]" 1 1253 1 35 MET HA 1 35 MET HG2 2.100 . 2.700 2.714 2.635 2.820 0.120 29 0 "[ . 1 . 2 . 3]" 1 1254 1 32 ILE HA 1 35 MET HA 4.100 . 5.500 4.701 4.619 4.817 . 0 0 "[ . 1 . 2 . 3]" 1 1255 1 34 ALA MB 1 35 MET HA 2.900 . 5.500 4.003 3.943 4.063 . 0 0 "[ . 1 . 2 . 3]" 1 1256 1 35 MET HA 1 35 MET HB3 2.000 . 2.500 2.362 2.328 2.386 . 0 0 "[ . 1 . 2 . 3]" 1 1257 1 35 MET HA 1 35 MET ME 2.900 . 5.500 4.872 4.614 4.923 . 0 0 "[ . 1 . 2 . 3]" 1 1258 1 35 MET HB2 1 35 MET HG2 2.300 . 3.000 2.992 2.761 3.007 0.007 26 0 "[ . 1 . 2 . 3]" 1 1259 1 35 MET HB2 1 35 MET HG3 2.400 . 3.100 2.423 2.207 2.464 . 0 0 "[ . 1 . 2 . 3]" 1 1260 1 35 MET HA 1 35 MET HB2 2.400 . 3.100 3.010 2.995 3.017 . 0 0 "[ . 1 . 2 . 3]" 1 1261 1 35 MET HB3 1 69 VAL QG 3.000 . 4.100 3.893 3.759 4.078 . 0 0 "[ . 1 . 2 . 3]" 1 1262 1 35 MET HB3 1 35 MET ME 2.900 . 4.000 4.048 3.905 4.076 0.076 23 0 "[ . 1 . 2 . 3]" 1 1263 1 35 MET HB3 1 35 MET HG2 2.300 . 3.000 2.458 2.406 2.871 . 0 0 "[ . 1 . 2 . 3]" 1 1264 1 35 MET HB3 1 35 MET HG3 2.400 . 3.100 2.994 2.764 3.007 . 0 0 "[ . 1 . 2 . 3]" 1 1265 1 32 ILE HA 1 35 MET HB3 3.200 . 4.500 3.914 3.801 4.001 . 0 0 "[ . 1 . 2 . 3]" 1 1266 1 32 ILE MG 1 35 MET HG3 4.200 . 5.500 3.700 2.329 3.936 . 0 0 "[ . 1 . 2 . 3]" 1 1267 1 35 MET HG3 1 69 VAL QG 3.700 . 5.400 3.327 1.981 3.620 0.019 29 0 "[ . 1 . 2 . 3]" 1 1268 1 34 ALA MB 1 35 MET HG3 3.100 . 4.300 2.968 2.763 4.185 . 0 0 "[ . 1 . 2 . 3]" 1 1269 1 35 MET ME 1 73 VAL QG 3.200 . 4.500 3.919 3.642 4.137 . 0 0 "[ . 1 . 2 . 3]" 1 1270 1 35 MET ME 1 65 LEU QD 2.400 . 3.100 2.729 2.457 3.025 . 0 0 "[ . 1 . 2 . 3]" 1 1271 1 32 ILE MG 1 35 MET ME 2.600 . 3.400 3.443 3.409 3.528 0.128 29 0 "[ . 1 . 2 . 3]" 1 1272 1 31 LEU QD 1 35 MET ME 3.000 . 4.100 3.560 3.081 3.888 . 0 0 "[ . 1 . 2 . 3]" 1 1273 1 35 MET ME 1 69 VAL QG 2.400 . 3.100 1.842 1.685 1.963 0.015 29 0 "[ . 1 . 2 . 3]" 1 1274 1 31 LEU HB2 1 35 MET ME 2.200 . 5.500 2.744 2.285 3.278 . 0 0 "[ . 1 . 2 . 3]" 1 1275 1 34 ALA MB 1 35 MET ME 3.300 . 4.700 3.494 3.304 3.868 . 0 0 "[ . 1 . 2 . 3]" 1 1276 1 35 MET ME 1 66 ARG QG 2.700 . 3.600 1.900 1.789 2.119 0.011 14 0 "[ . 1 . 2 . 3]" 1 1277 1 35 MET ME 1 69 VAL HB 3.100 . 4.300 1.975 1.878 2.126 0.022 28 0 "[ . 1 . 2 . 3]" 1 1278 1 35 MET ME 1 35 MET HG2 2.400 . 3.100 2.875 2.596 2.970 . 0 0 "[ . 1 . 2 . 3]" 1 1279 1 35 MET ME 1 35 MET HG3 2.300 . 3.000 2.213 2.111 2.359 . 0 0 "[ . 1 . 2 . 3]" 1 1280 1 35 MET ME 1 66 ARG QD 2.800 . 3.800 3.222 2.366 3.621 . 0 0 "[ . 1 . 2 . 3]" 1 1281 1 35 MET ME 1 69 VAL HA 3.600 . 5.200 4.409 4.091 4.560 . 0 0 "[ . 1 . 2 . 3]" 1 1282 1 31 LEU HA 1 35 MET ME 3.300 . 4.700 3.802 3.421 4.411 . 0 0 "[ . 1 . 2 . 3]" 1 1283 1 35 MET ME 1 70 ASP HA 3.200 . 4.500 4.247 3.443 4.535 0.035 8 0 "[ . 1 . 2 . 3]" 1 1284 1 35 MET HB2 1 36 HIS HA 3.200 . 4.500 4.428 4.177 4.481 . 0 0 "[ . 1 . 2 . 3]" 1 1285 1 36 HIS HA 1 36 HIS HB3 2.500 . 3.300 2.679 2.607 2.763 . 0 0 "[ . 1 . 2 . 3]" 1 1286 1 36 HIS HA 1 36 HIS HB2 2.500 . 3.300 2.256 2.233 2.295 . 0 0 "[ . 1 . 2 . 3]" 1 1287 1 36 HIS HB2 1 40 ALA HA 3.800 . 5.500 5.198 4.828 5.531 0.031 29 0 "[ . 1 . 2 . 3]" 1 1288 1 36 HIS HB2 1 40 ALA MB 4.000 . 5.500 2.525 2.088 3.160 . 0 0 "[ . 1 . 2 . 3]" 1 1289 1 32 ILE HB 1 36 HIS HB2 3.200 . 5.500 5.559 5.531 5.606 0.106 29 0 "[ . 1 . 2 . 3]" 1 1290 1 32 ILE MG 1 36 HIS HB3 2.700 . 5.500 5.168 5.006 5.305 . 0 0 "[ . 1 . 2 . 3]" 1 1291 1 36 HIS HB3 1 40 ALA MB 3.400 . 4.800 3.125 2.884 3.382 . 0 0 "[ . 1 . 2 . 3]" 1 1292 1 34 ALA MB 1 36 HIS HB3 3.200 . 5.500 5.326 5.235 5.370 . 0 0 "[ . 1 . 2 . 3]" 1 1293 1 32 ILE HB 1 36 HIS HB3 3.100 . 5.500 5.478 5.161 5.542 0.042 5 0 "[ . 1 . 2 . 3]" 1 1294 1 38 THR HB 1 38 THR MG 1.900 . 2.400 2.104 2.070 2.118 . 0 0 "[ . 1 . 2 . 3]" 1 1295 1 38 THR HA 1 38 THR MG 2.100 . 2.700 2.348 2.177 2.540 . 0 0 "[ . 1 . 2 . 3]" 1 1296 1 38 THR MG 1 39 LEU HB2 2.700 . 3.600 2.947 2.462 3.616 0.016 21 0 "[ . 1 . 2 . 3]" 1 1297 1 38 THR MG 1 73 VAL QG 3.000 . 5.500 2.373 1.445 3.287 . 0 0 "[ . 1 . 2 . 3]" 1 1298 1 38 THR MG 1 76 LEU QD 2.900 . 4.000 2.569 1.843 3.964 . 0 0 "[ . 1 . 2 . 3]" 1 1299 1 40 ALA MB 1 41 GLY HA2 3.200 . 4.500 3.810 3.680 4.207 . 0 0 "[ . 1 . 2 . 3]" 1 1300 1 38 THR HB 1 40 ALA MB 2.500 . 5.500 4.977 4.533 5.199 . 0 0 "[ . 1 . 2 . 3]" 1 1301 1 40 ALA HA 1 40 ALA MB 2.000 . 2.500 2.117 2.086 2.139 . 0 0 "[ . 1 . 2 . 3]" 1 1302 1 40 ALA MB 1 43 ILE MD 3.000 . 4.100 3.479 3.131 3.912 . 0 0 "[ . 1 . 2 . 3]" 1 1303 1 32 ILE MD 1 40 ALA MB 2.800 . 3.800 3.424 3.224 3.808 0.008 13 0 "[ . 1 . 2 . 3]" 1 1304 1 32 ILE MG 1 40 ALA MB 2.200 . 2.800 2.453 2.139 2.694 . 0 0 "[ . 1 . 2 . 3]" 1 1305 1 8 THR MG 1 40 ALA MB 2.100 . 5.500 4.333 4.076 4.705 . 0 0 "[ . 1 . 2 . 3]" 1 1306 1 32 ILE HB 1 40 ALA MB 2.400 . 3.100 1.908 1.698 2.395 0.002 24 0 "[ . 1 . 2 . 3]" 1 1307 1 33 GLN QB 1 40 ALA MB 2.700 . 3.600 3.679 3.549 3.721 0.121 21 0 "[ . 1 . 2 . 3]" 1 1308 1 35 MET HB2 1 40 ALA MB 2.500 . 5.500 4.109 3.970 4.275 . 0 0 "[ . 1 . 2 . 3]" 1 1309 1 41 GLY QA 1 42 LYS QD 3.700 . 5.400 5.098 4.885 5.280 . 0 0 "[ . 1 . 2 . 3]" 1 1310 1 41 GLY HA2 1 44 THR MG 3.800 . 5.500 2.952 2.553 3.976 . 0 0 "[ . 1 . 2 . 3]" 1 1311 1 42 LYS HB2 1 42 LYS QG 2.600 . 3.400 2.210 2.134 2.257 . 0 0 "[ . 1 . 2 . 3]" 1 1312 1 42 LYS HB3 1 42 LYS QG 2.500 . 3.300 2.149 2.131 2.162 . 0 0 "[ . 1 . 2 . 3]" 1 1313 1 42 LYS HE3 1 42 LYS QG 2.900 . 4.000 2.969 1.965 3.370 . 0 0 "[ . 1 . 2 . 3]" 1 1314 1 42 LYS HE2 1 42 LYS QG 3.100 . 4.300 2.565 2.062 3.457 . 0 0 "[ . 1 . 2 . 3]" 1 1315 1 42 LYS QG 2 12 GLU QG 3.400 . 4.800 4.125 3.541 4.367 . 0 0 "[ . 1 . 2 . 3]" 1 1316 1 42 LYS QD 1 42 LYS QG 2.300 . 3.000 2.062 2.023 2.089 . 0 0 "[ . 1 . 2 . 3]" 1 1317 1 42 LYS QG 1 76 LEU QD 2.600 . 5.500 2.824 2.150 3.738 . 0 0 "[ . 1 . 2 . 3]" 1 1318 1 42 LYS HA 1 42 LYS QD 2.500 . 3.300 1.694 1.642 1.763 0.058 17 0 "[ . 1 . 2 . 3]" 1 1319 1 42 LYS QD 1 42 LYS HE2 2.500 . 3.300 2.336 2.136 2.526 . 0 0 "[ . 1 . 2 . 3]" 1 1320 1 42 LYS QD 2 12 GLU QG 3.000 . 3.600 2.622 1.769 3.273 0.031 28 0 "[ . 1 . 2 . 3]" 1 1321 1 42 LYS QD 1 76 LEU QD 2.900 . 5.500 4.250 3.577 4.960 . 0 0 "[ . 1 . 2 . 3]" 1 1322 1 43 ILE HA 1 46 MET QG 3.400 . 4.800 2.457 1.755 2.853 0.245 4 0 "[ . 1 . 2 . 3]" 1 1323 1 42 LYS HB3 1 43 ILE HA 3.000 . 5.500 4.114 3.874 4.257 . 0 0 "[ . 1 . 2 . 3]" 1 1324 1 43 ILE HA 1 46 MET ME 3.000 . 4.100 3.504 1.874 4.109 0.026 21 0 "[ . 1 . 2 . 3]" 1 1325 1 43 ILE HA 1 43 ILE MD 2.700 . 5.500 3.835 3.674 3.926 . 0 0 "[ . 1 . 2 . 3]" 1 1326 1 43 ILE HA 1 47 LEU QD 3.000 . 4.100 3.041 2.752 4.021 . 0 0 "[ . 1 . 2 . 3]" 1 1327 1 43 ILE HA 1 43 ILE MG 2.200 . 2.800 2.284 2.143 2.410 . 0 0 "[ . 1 . 2 . 3]" 1 1328 1 43 ILE HA 1 75 VAL QG 3.500 . 3.600 3.092 2.770 3.300 . 0 0 "[ . 1 . 2 . 3]" 1 1329 1 42 LYS QG 1 43 ILE HA 3.100 . 5.500 4.153 3.724 4.891 . 0 0 "[ . 1 . 2 . 3]" 1 1330 1 43 ILE HA 1 72 ALA MB 2.800 . 5.500 4.296 4.082 4.425 . 0 0 "[ . 1 . 2 . 3]" 1 1331 1 43 ILE HA 1 43 ILE HB 2.900 . 4.000 3.004 2.978 3.019 . 0 0 "[ . 1 . 2 . 3]" 1 1332 1 40 ALA HA 1 43 ILE HB 2.600 . 3.400 2.798 2.547 3.442 0.042 26 0 "[ . 1 . 2 . 3]" 1 1333 1 43 ILE HB 1 72 ALA MB 3.000 . 4.100 3.927 3.701 4.051 . 0 0 "[ . 1 . 2 . 3]" 1 1334 1 43 ILE HB 1 43 ILE MD 2.300 . 3.000 2.444 2.273 2.683 . 0 0 "[ . 1 . 2 . 3]" 1 1335 1 43 ILE HB 1 47 LEU QD 3.900 . 5.500 4.162 3.715 5.430 . 0 0 "[ . 1 . 2 . 3]" 1 1336 1 32 ILE MG 1 43 ILE HB 2.200 . 2.800 2.448 2.303 2.770 . 0 0 "[ . 1 . 2 . 3]" 1 1337 1 43 ILE MG 1 69 VAL HA 2.300 . 5.500 3.995 3.707 4.134 . 0 0 "[ . 1 . 2 . 3]" 1 1338 1 32 ILE HA 1 43 ILE MG 3.600 . 5.500 5.168 5.020 5.367 . 0 0 "[ . 1 . 2 . 3]" 1 1339 1 43 ILE MD 1 43 ILE MG 1.900 . 2.400 1.923 1.642 2.171 . 0 0 "[ . 1 . 2 . 3]" 1 1340 1 43 ILE MG 1 47 LEU QD 1.900 . 5.500 2.121 1.654 3.284 . 0 0 "[ . 1 . 2 . 3]" 1 1341 1 43 ILE MG 1 75 VAL QG 2.000 . 2.500 2.457 2.393 2.528 0.028 4 0 "[ . 1 . 2 . 3]" 1 1342 1 43 ILE MG 1 69 VAL QG 2.100 . 3.000 2.854 2.671 2.931 . 0 0 "[ . 1 . 2 . 3]" 1 1343 1 43 ILE HB 1 43 ILE MG 1.900 . 2.400 2.124 2.104 2.129 . 0 0 "[ . 1 . 2 . 3]" 1 1344 1 43 ILE MG 1 46 MET ME 2.400 . 5.500 4.163 1.823 4.613 . 0 0 "[ . 1 . 2 . 3]" 1 1345 1 43 ILE MG 1 75 VAL HB 3.700 . 5.400 5.049 2.582 5.235 . 0 0 "[ . 1 . 2 . 3]" 1 1346 1 43 ILE MD 1 69 VAL HA 3.300 . 5.500 5.336 4.242 5.539 0.039 29 0 "[ . 1 . 2 . 3]" 1 1347 1 40 ALA HA 1 43 ILE MD 2.500 . 3.300 2.338 1.855 2.769 . 0 0 "[ . 1 . 2 . 3]" 1 1348 1 39 LEU HB3 1 43 ILE MD 2.500 . 5.500 3.684 3.273 5.191 . 0 0 "[ . 1 . 2 . 3]" 1 1349 1 43 ILE MD 1 72 ALA MB 2.500 . 3.300 3.114 1.872 3.328 0.028 4 0 "[ . 1 . 2 . 3]" 1 1350 1 35 MET HB3 1 43 ILE MD 3.000 . 5.500 4.757 4.545 5.056 . 0 0 "[ . 1 . 2 . 3]" 1 1351 1 43 ILE MD 1 76 LEU QB 3.300 . 4.700 2.957 2.384 3.953 . 0 0 "[ . 1 . 2 . 3]" 1 1352 1 43 ILE MD 1 73 VAL HB 2.700 . 5.500 3.487 2.691 4.388 . 0 0 "[ . 1 . 2 . 3]" 1 1353 1 43 ILE MD 1 75 VAL QG 3.100 . 5.500 3.772 2.980 4.338 . 0 0 "[ . 1 . 2 . 3]" 1 1354 1 43 ILE MD 1 69 VAL QG 2.700 . 5.500 3.277 2.663 3.494 . 0 0 "[ . 1 . 2 . 3]" 1 1355 1 32 ILE MG 1 43 ILE MD 1.900 . 2.400 1.696 1.597 1.850 . 0 0 "[ . 1 . 2 . 3]" 1 1356 1 32 ILE MD 1 43 ILE MD 2.100 . 2.700 2.721 2.606 2.751 0.051 19 0 "[ . 1 . 2 . 3]" 1 1357 1 28 LEU QD 1 44 THR HB 2.800 . 3.800 3.414 3.089 3.896 0.096 29 0 "[ . 1 . 2 . 3]" 1 1358 1 44 THR HB 1 44 THR MG 2.300 . 3.000 2.109 2.085 2.116 . 0 0 "[ . 1 . 2 . 3]" 1 1359 1 43 ILE MG 1 44 THR HB 3.500 . 5.000 4.796 4.362 5.027 0.027 3 0 "[ . 1 . 2 . 3]" 1 1360 1 28 LEU HB2 1 44 THR HB 3.100 . 4.300 3.616 3.463 4.415 0.115 29 0 "[ . 1 . 2 . 3]" 1 1361 1 27 ARG QD 1 31 LEU QD 3.100 . 4.300 3.138 1.877 3.656 0.023 30 0 "[ . 1 . 2 . 3]" 1 1362 1 44 THR MG 2 13 PHE HB2 3.100 . 5.500 3.089 2.849 3.386 . 0 0 "[ . 1 . 2 . 3]" 1 1363 1 44 THR MG 1 48 LEU QD 2.600 . 3.000 2.727 1.842 2.977 . 0 0 "[ . 1 . 2 . 3]" 1 1364 1 45 GLY QA 2 13 PHE HB2 3.700 . 5.000 1.689 1.429 2.204 0.571 22 5 "[ . 1 *-*. * 2 + . 3]" 1 1365 1 42 LYS HE3 1 45 GLY QA 4.300 . 5.400 3.920 2.966 5.201 . 0 0 "[ . 1 . 2 . 3]" 1 1366 1 45 GLY QA 1 48 LEU QD 2.900 . 4.000 2.413 2.023 2.563 . 0 0 "[ . 1 . 2 . 3]" 1 1367 1 44 THR MG 1 45 GLY QA 2.800 . 3.800 2.896 2.803 3.028 . 0 0 "[ . 1 . 2 . 3]" 1 1368 1 42 LYS QD 1 45 GLY QA 4.300 . 5.000 3.064 2.715 3.234 . 0 0 "[ . 1 . 2 . 3]" 1 1369 1 45 GLY QA 1 48 LEU HB2 3.700 . 5.400 2.520 2.098 2.802 . 0 0 "[ . 1 . 2 . 3]" 1 1370 1 45 GLY QA 1 48 LEU HB3 3.200 . 4.500 3.848 3.382 4.225 . 0 0 "[ . 1 . 2 . 3]" 1 1371 1 45 GLY QA 1 46 MET HA 3.200 . 5.500 3.977 3.954 4.032 . 0 0 "[ . 1 . 2 . 3]" 1 1372 1 45 GLY QA 2 12 GLU HA 3.200 . 3.800 2.824 2.383 3.242 . 0 0 "[ . 1 . 2 . 3]" 1 1373 1 46 MET QB 1 46 MET ME 2.600 . 4.000 2.694 1.956 3.510 . 0 0 "[ . 1 . 2 . 3]" 1 1374 1 46 MET QB 1 47 LEU QD 2.900 . 3.400 2.273 1.781 2.889 0.019 4 0 "[ . 1 . 2 . 3]" 1 1375 1 46 MET QB 1 75 VAL QG 2.900 . 5.500 3.272 2.039 4.061 . 0 0 "[ . 1 . 2 . 3]" 1 1376 1 46 MET QB 2 4 SER QB 3.800 . 5.500 3.953 3.583 4.417 . 0 0 "[ . 1 . 2 . 3]" 1 1377 1 46 MET HA 1 46 MET QG 2.500 . 4.000 3.168 2.937 3.298 . 0 0 "[ . 1 . 2 . 3]" 1 1378 1 46 MET QG 1 47 LEU QD 3.000 . 4.000 2.302 1.830 3.179 0.070 7 0 "[ . 1 . 2 . 3]" 1 1379 1 46 MET QG 1 47 LEU HB2 2.600 . 5.500 4.396 3.784 5.065 . 0 0 "[ . 1 . 2 . 3]" 1 1380 1 42 LYS QG 1 46 MET QG 2.800 . 4.000 3.496 2.787 3.748 . 0 0 "[ . 1 . 2 . 3]" 1 1381 1 46 MET QG 1 75 VAL QG 2.900 . 4.000 2.481 2.079 3.526 . 0 0 "[ . 1 . 2 . 3]" 1 1382 1 43 ILE MG 1 46 MET QG 3.700 . 5.400 3.463 2.981 3.985 . 0 0 "[ . 1 . 2 . 3]" 1 1383 1 46 MET HA 1 46 MET ME 2.900 . 5.500 4.627 4.025 5.234 . 0 0 "[ . 1 . 2 . 3]" 1 1384 1 46 MET ME 1 76 LEU HA 3.300 . 4.600 3.166 1.987 4.676 0.076 21 0 "[ . 1 . 2 . 3]" 1 1385 1 24 LEU HB2 1 27 ARG HA 3.000 . 4.100 2.477 1.974 2.972 . 0 0 "[ . 1 . 2 . 3]" 1 1386 1 46 MET ME 1 75 VAL HB 2.700 . 3.600 3.195 2.752 3.664 0.064 21 0 "[ . 1 . 2 . 3]" 1 1387 1 46 MET ME 1 46 MET QG 2.600 . 3.400 2.217 1.944 2.499 . 0 0 "[ . 1 . 2 . 3]" 1 1388 1 46 MET ME 1 76 LEU QD 2.600 . 5.500 3.039 1.761 4.472 . 0 0 "[ . 1 . 2 . 3]" 1 1389 1 46 MET ME 1 75 VAL QG 2.400 . 2.500 1.753 1.554 2.050 . 0 0 "[ . 1 . 2 . 3]" 1 1390 1 46 MET ME 1 76 LEU QB 2.400 . 5.500 4.178 2.606 4.840 . 0 0 "[ . 1 . 2 . 3]" 1 1391 1 42 LYS QD 1 46 MET ME 2.400 . 5.500 2.890 1.468 4.112 . 0 0 "[ . 1 . 2 . 3]" 1 1392 1 47 LEU HA 1 47 LEU HB3 2.500 . 3.300 2.514 2.424 2.656 . 0 0 "[ . 1 . 2 . 3]" 1 1393 1 61 SER QB 1 65 LEU HB2 3.000 . 4.100 3.479 3.105 3.837 . 0 0 "[ . 1 . 2 . 3]" 1 1394 1 47 LEU HA 1 47 LEU HB2 2.400 . 3.100 3.013 2.980 3.019 . 0 0 "[ . 1 . 2 . 3]" 1 1395 1 46 MET QB 1 47 LEU HB2 3.600 . 5.200 4.579 3.665 4.961 . 0 0 "[ . 1 . 2 . 3]" 1 1396 1 47 LEU HB2 1 47 LEU QD . . 2.400 2.150 1.945 2.323 . 0 0 "[ . 1 . 2 . 3]" 1 1397 1 43 ILE MG 1 47 LEU HB2 2.700 . 3.600 3.436 2.851 3.650 0.050 18 0 "[ . 1 . 2 . 3]" 1 1398 1 47 LEU HB3 1 47 LEU QD 1.900 . 5.500 2.311 1.898 2.473 . 0 0 "[ . 1 . 2 . 3]" 1 1399 1 48 LEU HA 1 48 LEU HB2 2.500 . 3.300 2.736 2.695 2.870 . 0 0 "[ . 1 . 2 . 3]" 1 1400 1 48 LEU HB2 1 48 LEU QD 2.400 . 3.100 2.179 2.100 2.236 . 0 0 "[ . 1 . 2 . 3]" 1 1401 1 44 THR MG 1 48 LEU HB2 3.200 . 4.500 4.503 3.745 4.573 0.073 21 0 "[ . 1 . 2 . 3]" 1 1402 1 38 THR HB 1 73 VAL QG 2.500 . 3.300 2.943 2.411 3.272 . 0 0 "[ . 1 . 2 . 3]" 1 1403 1 35 MET HA 1 73 VAL QG 3.100 . 4.300 4.223 4.072 4.272 . 0 0 "[ . 1 . 2 . 3]" 1 1404 1 48 LEU HA 1 48 LEU QD 2.700 . 3.600 1.973 1.838 2.750 . 0 0 "[ . 1 . 2 . 3]" 1 1405 1 35 MET HG2 1 73 VAL QG 3.000 . 4.100 4.080 4.044 4.123 0.023 28 0 "[ . 1 . 2 . 3]" 1 1406 1 73 VAL HA 1 73 VAL QG 2.100 . 2.700 2.296 2.079 2.479 . 0 0 "[ . 1 . 2 . 3]" 1 1407 1 69 VAL HA 1 73 VAL QG 3.300 . 4.700 4.402 4.176 4.638 . 0 0 "[ . 1 . 2 . 3]" 1 1408 1 72 ALA MB 1 73 VAL QG 2.500 . 5.500 3.112 2.860 3.447 . 0 0 "[ . 1 . 2 . 3]" 1 1409 1 35 MET HB3 1 73 VAL QG 2.000 . 2.500 2.409 2.330 2.509 0.009 4 0 "[ . 1 . 2 . 3]" 1 1410 1 73 VAL HB 1 73 VAL QG 2.000 . 2.500 1.882 1.871 1.894 . 0 0 "[ . 1 . 2 . 3]" 1 1411 1 48 LEU MD1 1 48 LEU MD2 1.900 . 2.400 2.075 1.970 2.088 . 0 0 "[ . 1 . 2 . 3]" 1 1412 1 32 ILE MG 1 73 VAL QG 2.200 . 2.800 2.428 2.047 2.803 0.003 22 0 "[ . 1 . 2 . 3]" 1 1413 1 48 LEU QD 2 13 PHE HA 3.000 . 4.100 3.508 2.881 3.899 . 0 0 "[ . 1 . 2 . 3]" 1 1414 1 48 LEU QD 2 13 PHE HB2 2.800 . 3.800 2.887 2.685 3.420 . 0 0 "[ . 1 . 2 . 3]" 1 1415 1 48 LEU HB3 1 48 LEU QD 2.700 . 3.600 2.413 1.923 2.514 . 0 0 "[ . 1 . 2 . 3]" 1 1416 1 49 GLU HA 1 49 GLU HG2 2.700 . 3.600 2.526 2.298 3.740 0.140 21 0 "[ . 1 . 2 . 3]" 1 1417 1 49 GLU HA 1 49 GLU HG3 2.300 . 5.500 3.619 2.461 3.758 . 0 0 "[ . 1 . 2 . 3]" 1 1418 1 46 MET HA 1 49 GLU HG3 3.300 . 4.600 4.680 4.483 5.512 0.912 23 2 "[ . 1 . 2- + . 3]" 1 1419 1 49 GLU HG3 2 11 LYS HG3 2.900 . 4.000 3.101 2.224 4.586 0.586 21 1 "[ . 1 . 2+ . 3]" 1 1420 1 49 GLU HB2 1 49 GLU HG3 2.200 . 2.800 2.252 2.206 3.012 0.212 23 0 "[ . 1 . 2 . 3]" 1 1421 1 46 MET HA 1 49 GLU HG2 3.800 . 5.500 5.353 4.556 5.524 0.024 12 0 "[ . 1 . 2 . 3]" 1 1422 1 49 GLU HG2 2 11 LYS HG3 3.400 . 4.800 3.665 3.196 4.089 . 0 0 "[ . 1 . 2 . 3]" 1 1423 1 48 LEU HB2 1 49 GLU HG2 3.700 . 5.400 4.965 4.547 6.153 0.753 23 1 "[ . 1 . 2 + . 3]" 1 1424 1 50 ILE HA 1 50 ILE HG13 2.300 . 3.000 2.170 2.090 2.306 . 0 0 "[ . 1 . 2 . 3]" 1 1425 1 50 ILE HA 1 50 ILE HG12 2.300 . 3.000 2.776 2.604 2.945 . 0 0 "[ . 1 . 2 . 3]" 1 1426 1 50 ILE HA 1 50 ILE MD 2.500 . 5.500 3.634 3.570 3.706 . 0 0 "[ . 1 . 2 . 3]" 1 1427 1 50 ILE HA 1 50 ILE MG 2.100 . 5.500 3.101 3.032 3.143 . 0 0 "[ . 1 . 2 . 3]" 1 1428 1 28 LEU QD 1 50 ILE HB 3.400 . 4.800 2.665 2.430 3.025 . 0 0 "[ . 1 . 2 . 3]" 1 1429 1 50 ILE HB 1 50 ILE HG13 2.600 . 3.400 2.549 2.464 2.604 . 0 0 "[ . 1 . 2 . 3]" 1 1430 1 50 ILE HB 1 50 ILE HG12 2.300 . 3.000 3.012 3.001 3.024 0.024 21 0 "[ . 1 . 2 . 3]" 1 1431 1 50 ILE MG 1 55 LEU HA 3.500 . 5.000 3.561 3.278 3.771 . 0 0 "[ . 1 . 2 . 3]" 1 1432 1 50 ILE MG 1 68 LYS QE 3.800 . 5.500 4.245 3.817 4.690 . 0 0 "[ . 1 . 2 . 3]" 1 1433 1 50 ILE MG 1 51 ASP HB2 3.100 . 4.300 3.730 3.498 3.910 . 0 0 "[ . 1 . 2 . 3]" 1 1434 1 26 GLU QG 1 50 ILE MG 3.200 . 5.500 1.858 1.477 3.289 . 0 0 "[ . 1 . 2 . 3]" 1 1435 1 50 ILE MG 1 58 MET HB2 2.700 . 5.500 5.443 5.139 5.567 0.067 21 0 "[ . 1 . 2 . 3]" 1 1436 1 50 ILE HB 1 50 ILE MG 1.900 . 2.400 2.118 2.098 2.124 . 0 0 "[ . 1 . 2 . 3]" 1 1437 1 26 GLU HB2 1 50 ILE MG 2.200 . 2.800 2.422 2.169 2.775 . 0 0 "[ . 1 . 2 . 3]" 1 1438 1 50 ILE HG12 1 50 ILE MG 2.100 . 2.700 2.270 2.145 2.389 . 0 0 "[ . 1 . 2 . 3]" 1 1439 1 50 ILE HG13 1 50 ILE MG 2.100 . 5.500 3.189 3.163 3.204 . 0 0 "[ . 1 . 2 . 3]" 1 1440 1 47 LEU HB2 1 50 ILE MG 3.100 . 5.500 5.488 5.250 5.546 0.046 18 0 "[ . 1 . 2 . 3]" 1 1441 1 50 ILE MD 1 50 ILE MG 1.800 . 2.200 2.147 1.931 2.218 0.018 18 0 "[ . 1 . 2 . 3]" 1 1442 1 28 LEU QD 1 50 ILE MG 2.300 . 3.000 2.322 1.983 2.672 . 0 0 "[ . 1 . 2 . 3]" 1 1443 1 47 LEU HA 1 50 ILE MD 2.400 . 5.500 4.611 4.211 5.106 . 0 0 "[ . 1 . 2 . 3]" 1 1444 1 50 ILE MD 1 55 LEU HA 3.200 . 4.500 4.484 4.335 4.531 0.031 13 0 "[ . 1 . 2 . 3]" 1 1445 1 50 ILE MD 1 58 MET ME 2.200 . 5.500 4.217 3.696 4.673 . 0 0 "[ . 1 . 2 . 3]" 1 1446 1 50 ILE HB 1 50 ILE MD 2.100 . 2.700 2.281 2.189 2.403 . 0 0 "[ . 1 . 2 . 3]" 1 1447 1 50 ILE MD 1 58 MET QB 2.900 . 5.500 4.880 4.648 5.110 . 0 0 "[ . 1 . 2 . 3]" 1 1448 1 50 ILE MD 1 68 LYS QE 2.700 . 3.300 2.009 1.676 2.469 0.124 24 0 "[ . 1 . 2 . 3]" 1 1449 1 28 LEU QD 1 50 ILE MD 2.200 . 2.800 2.682 2.512 2.803 0.003 23 0 "[ . 1 . 2 . 3]" 1 1450 1 47 LEU HB2 1 50 ILE MD 3.200 . 4.500 4.363 3.870 4.528 0.028 7 0 "[ . 1 . 2 . 3]" 1 1451 1 50 ILE MD 1 50 ILE HG13 2.000 . 2.500 2.094 2.074 2.121 . 0 0 "[ . 1 . 2 . 3]" 1 1452 1 50 ILE MD 1 50 ILE HG12 2.000 . 2.500 2.093 2.073 2.120 . 0 0 "[ . 1 . 2 . 3]" 1 1453 1 50 ILE MD 1 68 LYS HD3 2.900 . 4.000 3.539 2.120 4.560 0.560 19 4 "[ - . * 1 . +2* . 3]" 1 1454 1 50 ILE MD 1 68 LYS QB 3.300 . 5.500 4.103 3.423 4.678 . 0 0 "[ . 1 . 2 . 3]" 1 1455 1 50 ILE HA 1 51 ASP HA 3.200 . 4.500 4.304 4.290 4.339 . 0 0 "[ . 1 . 2 . 3]" 1 1456 1 50 ILE MG 1 51 ASP HA 4.200 . 5.500 3.809 3.688 3.897 . 0 0 "[ . 1 . 2 . 3]" 1 1457 1 51 ASP HA 1 51 ASP HB3 2.100 . 2.700 2.610 2.588 2.625 . 0 0 "[ . 1 . 2 . 3]" 1 1458 1 51 ASP HB3 1 55 LEU HB3 3.100 . 5.500 5.537 5.516 5.562 0.062 26 0 "[ . 1 . 2 . 3]" 1 1459 1 51 ASP HB2 1 55 LEU HB3 3.700 . 5.500 5.535 5.510 5.559 0.059 12 0 "[ . 1 . 2 . 3]" 1 1460 1 50 ILE MG 1 51 ASP HB3 3.600 . 5.200 4.539 4.362 4.679 . 0 0 "[ . 1 . 2 . 3]" 1 1461 1 26 GLU QG 1 52 ASN HA 2.300 . 3.000 2.024 1.831 2.972 . 0 0 "[ . 1 . 2 . 3]" 1 1462 1 52 ASN HA 1 55 LEU HB3 2.200 . 2.800 2.488 2.301 2.544 . 0 0 "[ . 1 . 2 . 3]" 1 1463 1 52 ASN HA 1 55 LEU QD 2.100 . 2.700 1.806 1.551 1.969 0.449 8 0 "[ . 1 . 2 . 3]" 1 1464 1 52 ASN HA 1 55 LEU HB2 2.900 . 4.000 4.017 3.827 4.048 0.048 27 0 "[ . 1 . 2 . 3]" 1 1465 1 52 ASN HA 1 55 LEU HG 2.700 . 3.600 3.295 3.143 3.450 . 0 0 "[ . 1 . 2 . 3]" 1 1466 1 52 ASN HA 1 52 ASN HB3 2.300 . 3.000 2.717 2.634 3.007 0.007 29 0 "[ . 1 . 2 . 3]" 1 1467 1 52 ASN HB3 1 55 LEU HB3 4.300 . 5.500 4.947 4.635 5.345 . 0 0 "[ . 1 . 2 . 3]" 1 1468 1 52 ASN HB3 1 55 LEU QD 2.500 . 5.500 2.727 2.348 3.507 . 0 0 "[ . 1 . 2 . 3]" 1 1469 1 52 ASN HA 1 52 ASN HB2 2.300 . 3.000 2.938 2.603 2.997 . 0 0 "[ . 1 . 2 . 3]" 1 1470 1 52 ASN HB2 2 18 LYS QB 3.300 . 5.500 5.291 4.290 5.534 0.034 4 0 "[ . 1 . 2 . 3]" 1 1471 1 52 ASN HB2 1 55 LEU QD 2.900 . 4.000 3.691 3.418 3.823 . 0 0 "[ . 1 . 2 . 3]" 1 1472 1 55 LEU HB2 1 55 LEU HG 2.800 . 3.800 2.996 2.990 3.002 . 0 0 "[ . 1 . 2 . 3]" 1 1473 1 55 LEU HB2 1 55 LEU QD 2.500 . 2.800 2.126 2.056 2.155 . 0 0 "[ . 1 . 2 . 3]" 1 1474 1 55 LEU HA 1 55 LEU HB2 2.700 . 3.600 2.286 2.269 2.305 . 0 0 "[ . 1 . 2 . 3]" 1 1475 1 55 LEU QD 1 56 LEU HA 2.700 . 3.600 2.477 2.357 2.556 . 0 0 "[ . 1 . 2 . 3]" 1 1476 1 55 LEU HA 1 55 LEU QD 2.000 . 5.500 3.182 3.124 3.231 . 0 0 "[ . 1 . 2 . 3]" 1 1477 1 55 LEU QD 1 58 MET HB2 2.700 . 5.500 4.144 3.906 4.331 . 0 0 "[ . 1 . 2 . 3]" 1 1478 1 26 GLU HB3 1 55 LEU QD 2.300 . 5.500 2.593 2.335 2.793 . 0 0 "[ . 1 . 2 . 3]" 1 1479 1 24 LEU HB2 1 55 LEU QD 3.000 . 5.500 4.946 4.453 5.245 . 0 0 "[ . 1 . 2 . 3]" 1 1480 1 27 ARG QG 1 55 LEU QD 3.000 . 4.100 2.683 1.909 2.883 . 0 0 "[ . 1 . 2 . 3]" 1 1481 1 55 LEU QD 1 55 LEU HG 2.000 . 2.500 1.869 1.855 1.879 . 0 0 "[ . 1 . 2 . 3]" 1 1482 1 55 LEU MD1 1 55 LEU MD2 1.900 . 2.400 1.970 1.858 2.041 . 0 0 "[ . 1 . 2 . 3]" 1 1483 1 50 ILE MG 1 55 LEU QD 2.300 . 5.500 3.827 3.707 3.955 . 0 0 "[ . 1 . 2 . 3]" 1 1484 1 56 LEU QB 1 56 LEU MD2 2.600 . 3.400 2.173 1.880 2.434 . 0 0 "[ . 1 . 2 . 3]" 1 1485 1 55 LEU QD 1 56 LEU QB 2.400 . 3.100 2.939 2.775 2.984 . 0 0 "[ . 1 . 2 . 3]" 1 1486 1 56 LEU HA 1 56 LEU QB 2.400 . 3.100 2.363 2.149 2.504 . 0 0 "[ . 1 . 2 . 3]" 1 1487 1 56 LEU HA 1 56 LEU MD1 2.300 . 5.500 2.898 1.902 3.888 . 0 0 "[ . 1 . 2 . 3]" 1 1488 1 57 HIS HA 1 60 GLU QB 2.500 . 3.300 2.907 2.096 3.252 . 0 0 "[ . 1 . 2 . 3]" 1 1489 1 57 HIS HA 1 57 HIS HB2 2.300 . 3.000 2.810 2.482 3.009 0.009 21 0 "[ . 1 . 2 . 3]" 1 1490 1 57 HIS HA 1 57 HIS HB3 2.500 . 3.300 2.846 2.582 3.028 . 0 0 "[ . 1 . 2 . 3]" 1 1491 1 58 MET HA 1 65 LEU HA 2.800 . 3.800 3.616 3.183 3.807 0.007 23 0 "[ . 1 . 2 . 3]" 1 1492 1 58 MET HA 1 61 SER QB 2.500 . 3.300 2.843 2.421 3.166 . 0 0 "[ . 1 . 2 . 3]" 1 1493 1 58 MET HA 1 65 LEU QD 2.800 . 3.800 3.504 3.205 3.635 . 0 0 "[ . 1 . 2 . 3]" 1 1494 1 58 MET HA 1 65 LEU HB2 2.700 . 3.600 1.988 1.777 2.539 0.023 24 0 "[ . 1 . 2 . 3]" 1 1495 1 58 MET HA 1 58 MET HB3 2.700 . 3.600 2.539 2.485 2.593 . 0 0 "[ . 1 . 2 . 3]" 1 1496 1 58 MET HA 1 58 MET QG 2.300 . 3.000 2.864 2.579 2.990 . 0 0 "[ . 1 . 2 . 3]" 1 1497 1 58 MET QB 1 59 LEU HA 2.700 . 5.500 3.852 3.776 3.927 . 0 0 "[ . 1 . 2 . 3]" 1 1498 1 31 LEU HG 1 58 MET QB 2.100 . 5.500 4.831 4.490 5.125 . 0 0 "[ . 1 . 2 . 3]" 1 1499 1 58 MET HB2 1 58 MET QG 2.000 . 2.500 2.142 2.131 2.160 . 0 0 "[ . 1 . 2 . 3]" 1 1500 1 58 MET HB3 1 65 LEU QD . . 2.800 2.115 1.810 2.359 0.090 8 0 "[ . 1 . 2 . 3]" 1 1501 1 58 MET HA 1 58 MET ME 2.700 . 3.600 2.357 1.938 2.957 . 0 0 "[ . 1 . 2 . 3]" 1 1502 1 58 MET ME 1 64 SER HB3 2.500 . 3.300 2.904 1.947 3.307 0.007 12 0 "[ . 1 . 2 . 3]" 1 1503 1 58 MET ME 1 67 SER QB 2.800 . 5.500 5.061 4.480 5.520 0.020 8 0 "[ . 1 . 2 . 3]" 1 1504 1 58 MET ME 1 65 LEU HA 2.000 . 5.500 2.086 1.580 3.227 . 0 0 "[ . 1 . 2 . 3]" 1 1505 1 58 MET ME 1 64 SER HA 3.200 . 5.500 4.380 3.786 5.019 . 0 0 "[ . 1 . 2 . 3]" 1 1506 1 58 MET ME 1 58 MET HG2 2.700 . 3.600 2.799 1.989 3.367 . 0 0 "[ . 1 . 2 . 3]" 1 1507 1 58 MET ME 1 68 LYS QE 2.700 . 3.600 2.246 1.785 2.890 0.015 13 0 "[ . 1 . 2 . 3]" 1 1508 1 59 LEU HA 1 59 LEU HG 2.900 . 4.000 3.260 2.222 4.231 0.231 14 0 "[ . 1 . 2 . 3]" 1 1509 1 59 LEU HA 1 59 LEU QB 2.200 . 2.800 2.335 2.126 2.528 . 0 0 "[ . 1 . 2 . 3]" 1 1510 1 31 LEU QD 1 59 LEU HA 2.900 . 5.500 3.108 2.792 3.437 . 0 0 "[ . 1 . 2 . 3]" 1 1511 1 59 LEU HA 1 65 LEU QD 2.900 . 4.000 3.333 2.387 3.952 . 0 0 "[ . 1 . 2 . 3]" 1 1512 1 59 LEU HA 1 59 LEU QD 2.700 . 3.600 2.731 1.730 3.381 0.070 8 0 "[ . 1 . 2 . 3]" 1 1513 1 59 LEU QB 1 59 LEU QD . . 2.800 1.898 1.722 2.093 0.078 5 0 "[ . 1 . 2 . 3]" 1 1514 1 59 LEU QD 1 59 LEU HG 2.100 . 2.500 1.876 1.854 1.892 . 0 0 "[ . 1 . 2 . 3]" 1 1515 1 24 LEU QD 1 59 LEU QD 2.900 . 4.000 3.671 3.325 3.938 . 0 0 "[ . 1 . 2 . 3]" 1 1516 1 59 LEU MD1 1 59 LEU MD2 2.000 . 2.500 2.027 1.873 2.087 . 0 0 "[ . 1 . 2 . 3]" 1 1517 1 59 LEU HA 1 60 GLU HA 3.200 . 4.500 4.561 4.522 4.594 0.094 29 0 "[ . 1 . 2 . 3]" 1 1518 1 59 LEU QB 1 60 GLU HA 3.400 . 4.800 4.328 3.970 4.620 . 0 0 "[ . 1 . 2 . 3]" 1 1519 1 60 GLU HA 1 60 GLU QB 1.900 . 2.400 2.235 2.162 2.321 . 0 0 "[ . 1 . 2 . 3]" 1 1520 1 60 GLU HA 1 60 GLU HG2 2.100 . 5.500 3.472 2.548 4.223 . 0 0 "[ . 1 . 2 . 3]" 1 1521 1 57 HIS HA 1 60 GLU QG 2.500 . 3.300 2.578 1.697 3.334 0.034 23 0 "[ . 1 . 2 . 3]" 1 1522 1 61 SER HA 1 61 SER QB 2.200 . 2.800 2.476 2.417 2.502 . 0 0 "[ . 1 . 2 . 3]" 1 1523 1 61 SER HA 1 64 SER HB2 2.000 . 5.500 4.445 4.165 5.454 . 0 0 "[ . 1 . 2 . 3]" 1 1524 1 61 SER HA 1 65 LEU HB3 3.500 . 5.000 5.036 4.928 5.249 0.249 20 0 "[ . 1 . 2 . 3]" 1 1525 1 61 SER HA 1 63 GLU QB 3.000 . 5.500 4.781 4.553 4.903 . 0 0 "[ . 1 . 2 . 3]" 1 1526 1 60 GLU QB 1 61 SER HA 2.900 . 5.500 4.568 4.193 4.905 . 0 0 "[ . 1 . 2 . 3]" 1 1527 1 61 SER QB 1 64 SER HB2 2.100 . 2.700 1.946 1.682 3.268 0.568 22 1 "[ . 1 . 2 + . 3]" 1 1528 1 63 GLU HA 1 63 GLU HG3 2.900 . 4.000 3.495 2.636 3.898 . 0 0 "[ . 1 . 2 . 3]" 1 1529 1 63 GLU HA 1 63 GLU QB 1.900 . 2.700 2.285 2.144 2.415 . 0 0 "[ . 1 . 2 . 3]" 1 1530 1 63 GLU HA 1 66 ARG QD 3.300 . 5.500 5.100 4.610 5.352 . 0 0 "[ . 1 . 2 . 3]" 1 1531 1 63 GLU HA 1 64 SER HA 3.300 . 4.700 4.721 4.702 4.732 0.032 23 0 "[ . 1 . 2 . 3]" 1 1532 1 64 SER HA 1 64 SER HB3 2.400 . 3.100 2.522 2.356 3.034 . 0 0 "[ . 1 . 2 . 3]" 1 1533 1 58 MET QG 1 64 SER HB2 3.400 . 5.500 5.476 5.039 5.898 0.398 29 0 "[ . 1 . 2 . 3]" 1 1534 1 65 LEU HA 1 65 LEU HB3 2.600 . 3.400 2.969 2.908 3.005 . 0 0 "[ . 1 . 2 . 3]" 1 1535 1 65 LEU HB3 1 65 LEU QD 2.400 . 3.100 2.120 1.932 2.277 . 0 0 "[ . 1 . 2 . 3]" 1 1536 1 65 LEU HB3 1 65 LEU HG 2.500 . 3.300 2.592 2.512 2.697 . 0 0 "[ . 1 . 2 . 3]" 1 1537 1 65 LEU QD 1 65 LEU HG 2.200 . 2.700 1.867 1.842 1.890 . 0 0 "[ . 1 . 2 . 3]" 1 1538 1 65 LEU HG 1 69 VAL QG 2.600 . 5.500 3.905 3.520 4.264 . 0 0 "[ . 1 . 2 . 3]" 1 1539 1 31 LEU QD 1 65 LEU HG 4.000 . 5.500 2.425 1.651 3.513 0.349 16 0 "[ . 1 . 2 . 3]" 1 1540 1 65 LEU HB2 1 65 LEU HG 2.700 . 3.600 2.538 2.249 3.017 . 0 0 "[ . 1 . 2 . 3]" 1 1541 1 65 LEU QD 1 69 VAL HA 3.600 . 5.200 4.342 4.091 4.651 . 0 0 "[ . 1 . 2 . 3]" 1 1542 1 61 SER QB 1 65 LEU QD 3.400 . 5.500 4.382 4.146 4.669 . 0 0 "[ . 1 . 2 . 3]" 1 1543 1 32 ILE HA 1 65 LEU QD 3.900 . 5.500 5.049 4.853 5.210 . 0 0 "[ . 1 . 2 . 3]" 1 1544 1 28 LEU HA 1 65 LEU QD 2.000 . 5.500 4.290 4.101 4.545 . 0 0 "[ . 1 . 2 . 3]" 1 1545 1 65 LEU HA 1 65 LEU QD 2.100 . 2.700 2.298 1.947 2.612 . 0 0 "[ . 1 . 2 . 3]" 1 1546 1 58 MET HG3 1 65 LEU QD 3.000 . 4.100 2.731 2.011 3.479 . 0 0 "[ . 1 . 2 . 3]" 1 1547 1 65 LEU QD 1 69 VAL HB 2.900 . 4.000 2.837 2.599 3.107 . 0 0 "[ . 1 . 2 . 3]" 1 1548 1 31 LEU HB3 1 65 LEU QD 2.000 . 2.500 1.793 1.464 2.085 0.036 10 0 "[ . 1 . 2 . 3]" 1 1549 1 31 LEU HG 1 65 LEU QD 2.100 . 5.500 3.453 3.256 3.604 . 0 0 "[ . 1 . 2 . 3]" 1 1550 1 65 LEU HB2 1 65 LEU QD 2.700 . 3.600 2.388 2.034 2.611 . 0 0 "[ . 1 . 2 . 3]" 1 1551 1 65 LEU QD 1 68 LYS HD2 1.800 . 5.500 4.861 2.900 5.890 0.390 5 0 "[ . 1 . 2 . 3]" 1 1552 1 65 LEU QD 1 69 VAL QG 2.500 . 2.500 1.789 1.625 1.979 . 0 0 "[ . 1 . 2 . 3]" 1 1553 1 31 LEU QD 1 65 LEU QD 2.000 . 2.500 1.540 1.429 1.690 0.071 23 0 "[ . 1 . 2 . 3]" 1 1554 1 66 ARG HA 1 66 ARG QD 2.500 . 5.500 3.688 3.138 4.065 . 0 0 "[ . 1 . 2 . 3]" 1 1555 1 65 LEU QD 1 66 ARG HA 3.100 . 4.300 2.640 2.123 3.297 . 0 0 "[ . 1 . 2 . 3]" 1 1556 1 66 ARG HA 1 69 VAL QG 2.500 . 5.500 3.564 3.474 3.608 . 0 0 "[ . 1 . 2 . 3]" 1 1557 1 65 LEU HG 1 66 ARG HA 3.500 . 5.000 4.182 2.621 5.132 0.132 20 0 "[ . 1 . 2 . 3]" 1 1558 1 66 ARG HA 1 66 ARG QG 2.200 . 2.800 2.110 2.033 2.200 . 0 0 "[ . 1 . 2 . 3]" 1 1559 1 66 ARG HA 1 66 ARG HB2 2.700 . 3.600 2.656 2.552 2.762 . 0 0 "[ . 1 . 2 . 3]" 1 1560 1 35 MET ME 1 66 ARG HA 2.300 . 3.000 1.871 1.672 2.081 . 0 0 "[ . 1 . 2 . 3]" 1 1561 1 66 ARG QB 1 66 ARG QD 2.300 . 3.000 2.079 1.910 2.430 . 0 0 "[ . 1 . 2 . 3]" 1 1562 1 63 GLU HA 1 66 ARG HB3 1.900 . 5.500 3.971 3.657 4.333 . 0 0 "[ . 1 . 2 . 3]" 1 1563 1 65 LEU QD 1 66 ARG HB2 3.300 . 4.700 3.129 2.639 3.864 . 0 0 "[ . 1 . 2 . 3]" 1 1564 1 66 ARG QB 1 69 VAL QG 3.400 . 5.500 4.918 4.843 4.965 . 0 0 "[ . 1 . 2 . 3]" 1 1565 1 66 ARG QD 1 66 ARG QG 2.000 . 2.500 2.035 1.985 2.089 . 0 0 "[ . 1 . 2 . 3]" 1 1566 1 66 ARG QG 1 67 SER HA 3.000 . 5.500 4.849 4.175 5.243 . 0 0 "[ . 1 . 2 . 3]" 1 1567 1 68 LYS QB 1 68 LYS HD3 2.300 . 5.500 2.734 1.965 3.310 . 0 0 "[ . 1 . 2 . 3]" 1 1568 1 68 LYS QB 1 68 LYS HD2 2.200 . 5.500 2.704 1.974 3.309 . 0 0 "[ . 1 . 2 . 3]" 1 1569 1 65 LEU QD 1 68 LYS QB 2.500 . 3.300 2.877 2.579 3.216 . 0 0 "[ . 1 . 2 . 3]" 1 1570 1 68 LYS QB 2 6 LEU QD 2.900 . 4.000 2.796 1.874 3.495 . 0 0 "[ . 1 . 2 . 3]" 1 1571 1 68 LYS QB 1 69 VAL QG 3.600 . 5.200 2.984 2.804 3.256 . 0 0 "[ . 1 . 2 . 3]" 1 1572 1 38 THR MG 1 73 VAL HB 2.900 . 4.000 3.053 2.024 4.077 0.077 21 0 "[ . 1 . 2 . 3]" 1 1573 1 65 LEU HG 1 68 LYS QB 3.100 . 5.500 5.138 4.828 5.353 . 0 0 "[ . 1 . 2 . 3]" 1 1574 1 68 LYS QB 1 68 LYS QE 3.100 . 3.800 2.320 1.841 2.753 0.059 16 0 "[ . 1 . 2 . 3]" 1 1575 1 68 LYS QB 1 69 VAL HA 3.300 . 4.700 3.845 3.611 4.338 . 0 0 "[ . 1 . 2 . 3]" 1 1576 1 65 LEU HA 1 68 LYS QB 2.800 . 3.800 2.664 2.421 2.991 . 0 0 "[ . 1 . 2 . 3]" 1 1577 1 70 ASP HA 1 73 VAL HB 2.100 . 5.500 4.516 3.157 5.524 0.024 29 0 "[ . 1 . 2 . 3]" 1 1578 1 68 LYS QG 2 6 LEU QD 2.600 . 3.400 1.925 1.616 2.579 0.284 12 0 "[ . 1 . 2 . 3]" 1 1579 1 50 ILE MD 1 68 LYS QG 3.200 . 4.500 3.795 2.903 4.312 . 0 0 "[ . 1 . 2 . 3]" 1 1580 1 65 LEU QD 1 68 LYS QE 2.700 . 3.600 3.395 2.802 3.538 . 0 0 "[ . 1 . 2 . 3]" 1 1581 1 68 LYS QE 1 68 LYS QG 2.500 . 4.000 2.414 2.112 2.800 . 0 0 "[ . 1 . 2 . 3]" 1 1582 1 68 LYS HD2 1 68 LYS QE 2.500 . 3.000 2.271 2.142 2.519 . 0 0 "[ . 1 . 2 . 3]" 1 1583 1 68 LYS HD3 1 68 LYS QE 2.400 . 3.100 2.341 2.138 2.529 . 0 0 "[ . 1 . 2 . 3]" 1 1584 1 69 VAL HA 1 72 ALA HA 3.400 . 4.800 4.212 4.124 4.354 . 0 0 "[ . 1 . 2 . 3]" 1 1585 1 69 VAL HA 1 69 VAL QG 2.100 . 2.700 2.113 2.065 2.155 . 0 0 "[ . 1 . 2 . 3]" 1 1586 1 69 VAL HA 1 72 ALA MB 2.300 . 5.500 1.560 1.475 1.801 . 0 0 "[ . 1 . 2 . 3]" 1 1587 1 69 VAL HA 1 69 VAL HB 2.500 . 3.300 3.011 3.005 3.017 . 0 0 "[ . 1 . 2 . 3]" 1 1588 1 66 ARG HA 1 69 VAL HB 2.300 . 3.000 2.896 2.797 2.965 . 0 0 "[ . 1 . 2 . 3]" 1 1589 1 69 VAL HB 1 73 VAL QG 3.300 . 4.700 4.512 4.302 4.658 . 0 0 "[ . 1 . 2 . 3]" 1 1590 1 32 ILE MG 1 69 VAL HB 4.200 . 5.500 4.314 4.208 4.476 . 0 0 "[ . 1 . 2 . 3]" 1 1591 1 31 LEU QD 1 69 VAL HB 3.500 . 5.000 3.756 3.329 3.975 . 0 0 "[ . 1 . 2 . 3]" 1 1592 1 69 VAL HB 1 69 VAL QG 2.100 . 2.700 1.866 1.856 1.886 . 0 0 "[ . 1 . 2 . 3]" 1 1593 1 66 ARG QG 1 69 VAL HB 3.700 . 5.400 3.966 3.807 4.165 . 0 0 "[ . 1 . 2 . 3]" 1 1594 1 69 VAL QG 1 70 ASP HA 3.100 . 4.300 3.663 3.410 3.748 . 0 0 "[ . 1 . 2 . 3]" 1 1595 1 69 VAL QG 1 73 VAL QG 2.000 . 2.500 2.438 2.336 2.522 0.022 9 0 "[ . 1 . 2 . 3]" 1 1596 1 69 VAL MG1 1 69 VAL MG2 1.900 . 2.400 1.934 1.869 2.071 . 0 0 "[ . 1 . 2 . 3]" 1 1597 1 31 LEU HB2 1 69 VAL QG 2.800 . 2.800 2.330 2.081 2.677 . 0 0 "[ . 1 . 2 . 3]" 1 1598 1 34 ALA MB 1 69 VAL QG 3.400 . 5.500 4.975 4.645 5.142 . 0 0 "[ . 1 . 2 . 3]" 1 1599 1 66 ARG QG 1 69 VAL QG 3.100 . 4.300 4.005 3.935 4.078 . 0 0 "[ . 1 . 2 . 3]" 1 1600 1 35 MET HB2 1 69 VAL QG 2.900 . 4.000 3.147 2.964 3.445 . 0 0 "[ . 1 . 2 . 3]" 1 1601 1 35 MET HG2 1 69 VAL QG 3.200 . 4.500 4.122 3.316 4.300 . 0 0 "[ . 1 . 2 . 3]" 1 1602 1 65 LEU HA 1 69 VAL QG 3.300 . 4.700 4.299 4.153 4.461 . 0 0 "[ . 1 . 2 . 3]" 1 1603 1 70 ASP HA 1 73 VAL QG 2.600 . 3.400 2.865 2.483 3.283 . 0 0 "[ . 1 . 2 . 3]" 1 1604 1 70 ASP HA 1 72 ALA MB 3.300 . 4.700 4.633 4.504 4.708 0.008 7 0 "[ . 1 . 2 . 3]" 1 1605 1 70 ASP HA 1 70 ASP HB3 2.200 . 5.500 3.025 3.017 3.033 . 0 0 "[ . 1 . 2 . 3]" 1 1606 1 70 ASP HA 1 70 ASP HB2 2.400 . 3.100 2.429 2.376 2.558 . 0 0 "[ . 1 . 2 . 3]" 1 1607 1 67 SER HA 1 70 ASP HB2 2.700 . 3.600 2.687 2.256 3.116 . 0 0 "[ . 1 . 2 . 3]" 1 1608 1 69 VAL QG 1 70 ASP HB2 4.100 . 5.500 4.847 4.674 4.939 . 0 0 "[ . 1 . 2 . 3]" 1 1609 1 67 SER HA 1 70 ASP HB3 2.700 . 3.600 2.686 2.426 2.958 . 0 0 "[ . 1 . 2 . 3]" 1 1610 1 69 VAL QG 1 70 ASP HB3 4.300 . 5.500 5.140 5.066 5.213 . 0 0 "[ . 1 . 2 . 3]" 1 1611 1 71 GLU HA 1 73 VAL QG 3.300 . 5.500 4.353 3.760 5.032 . 0 0 "[ . 1 . 2 . 3]" 1 1612 1 71 GLU HA 1 75 VAL QG 3.200 . 4.500 4.188 4.051 4.425 . 0 0 "[ . 1 . 2 . 3]" 1 1613 1 71 GLU HA 1 74 ALA MB 2.100 . 2.700 2.440 2.199 2.660 . 0 0 "[ . 1 . 2 . 3]" 1 1614 1 71 GLU HA 1 71 GLU HB2 2.100 . 2.700 2.553 2.513 2.590 . 0 0 "[ . 1 . 2 . 3]" 1 1615 1 71 GLU QB 2 6 LEU QD 2.700 . 5.500 2.201 1.832 2.709 . 0 0 "[ . 1 . 2 . 3]" 1 1616 1 71 GLU HB3 2 6 LEU QD 2.900 . 4.000 2.243 1.852 2.782 . 0 0 "[ . 1 . 2 . 3]" 1 1617 1 71 GLU HB3 1 75 VAL QG 3.800 . 5.500 3.933 3.766 4.180 . 0 0 "[ . 1 . 2 . 3]" 1 1618 1 71 GLU HB3 2 6 LEU QB 3.400 . 4.800 3.592 1.995 4.696 0.005 4 0 "[ . 1 . 2 . 3]" 1 1619 1 71 GLU HG3 1 75 VAL HA 3.700 . 5.500 5.638 5.174 6.188 0.688 7 8 "[ * .*+- 1* . ** *. 3]" 1 1620 1 71 GLU HA 1 71 GLU HG3 2.900 . 4.000 2.342 2.239 2.451 . 0 0 "[ . 1 . 2 . 3]" 1 1621 1 71 GLU HG3 2 6 LEU QD 3.600 . 5.200 4.246 3.734 4.819 . 0 0 "[ . 1 . 2 . 3]" 1 1622 1 71 GLU HG3 1 75 VAL QG 3.000 . 4.100 3.583 3.170 3.982 . 0 0 "[ . 1 . 2 . 3]" 1 1623 1 71 GLU HG3 1 74 ALA MB 3.400 . 4.800 2.720 2.451 3.137 . 0 0 "[ . 1 . 2 . 3]" 1 1624 1 71 GLU HA 1 71 GLU HG2 2.600 . 5.500 3.457 3.170 3.678 . 0 0 "[ . 1 . 2 . 3]" 1 1625 1 71 GLU HG2 2 6 LEU QD 2.600 . 5.400 3.252 2.430 3.955 . 0 0 "[ . 1 . 2 . 3]" 1 1626 1 71 GLU HG2 1 75 VAL QG 2.900 . 4.000 3.313 2.865 3.973 . 0 0 "[ . 1 . 2 . 3]" 1 1627 1 71 GLU HG2 1 74 ALA MB 2.900 . 4.000 3.865 3.499 4.043 0.043 10 0 "[ . 1 . 2 . 3]" 1 1628 1 71 GLU HG2 2 6 LEU QB 4.300 . 5.500 3.767 2.390 5.103 . 0 0 "[ . 1 . 2 . 3]" 1 1629 1 72 ALA HA 1 75 VAL QG 2.700 . 3.600 1.637 1.531 1.894 0.269 11 0 "[ . 1 . 2 . 3]" 1 1630 1 43 ILE MG 1 72 ALA HA 2.300 . 3.000 3.085 3.031 3.143 0.143 10 0 "[ . 1 . 2 . 3]" 1 1631 1 69 VAL QG 1 72 ALA HA 2.900 . 5.500 4.474 4.342 4.583 . 0 0 "[ . 1 . 2 . 3]" 1 1632 1 72 ALA HA 1 72 ALA MB 1.900 . 2.400 2.090 2.080 2.109 . 0 0 "[ . 1 . 2 . 3]" 1 1633 1 72 ALA HA 1 75 VAL HB 2.300 . 5.500 4.400 2.116 4.549 . 0 0 "[ . 1 . 2 . 3]" 1 1634 1 71 GLU HB3 1 72 ALA HA 3.000 . 4.100 4.123 4.103 4.150 0.050 22 0 "[ . 1 . 2 . 3]" 1 1635 1 72 ALA MB 1 73 VAL HA 3.200 . 4.500 3.768 3.714 3.837 . 0 0 "[ . 1 . 2 . 3]" 1 1636 1 71 GLU HG3 1 72 ALA MB 3.400 . 5.500 5.694 5.440 6.008 0.508 6 1 "[ .+ 1 . 2 . 3]" 1 1637 1 72 ALA MB 1 75 VAL HB 2.800 . 5.500 5.428 3.147 5.559 0.059 1 0 "[ . 1 . 2 . 3]" 1 1638 1 35 MET ME 1 72 ALA MB 2.700 . 5.500 4.657 4.452 4.779 . 0 0 "[ . 1 . 2 . 3]" 1 1639 1 43 ILE MG 1 72 ALA MB 1.800 . 2.200 1.808 1.708 1.886 . 0 0 "[ . 1 . 2 . 3]" 1 1640 1 69 VAL QG 1 72 ALA MB 2.400 . 2.800 2.111 1.929 2.310 . 0 0 "[ . 1 . 2 . 3]" 1 1641 1 47 LEU HB2 1 72 ALA MB 3.100 . 4.300 3.790 3.377 4.329 0.029 22 0 "[ . 1 . 2 . 3]" 1 1642 1 73 VAL HA 1 77 GLN QG 3.800 . 5.500 5.063 4.687 5.330 . 0 0 "[ . 1 . 2 . 3]" 1 1643 1 73 VAL HA 1 73 VAL HB 2.400 . 3.100 2.631 2.318 3.017 . 0 0 "[ . 1 . 2 . 3]" 1 1644 1 73 VAL HA 1 76 LEU QB 2.700 . 3.600 3.143 2.905 3.546 . 0 0 "[ . 1 . 2 . 3]" 1 1645 1 43 ILE MD 1 73 VAL HA 2.000 . 2.500 1.706 1.490 2.044 0.010 8 0 "[ . 1 . 2 . 3]" 1 1646 1 73 VAL HA 1 76 LEU QD 2.900 . 5.500 3.597 1.746 4.618 . 0 0 "[ . 1 . 2 . 3]" 1 1647 1 69 VAL QG 1 73 VAL HA 3.300 . 4.700 4.373 4.238 4.539 . 0 0 "[ . 1 . 2 . 3]" 1 1648 1 73 VAL HA 1 75 VAL QG 2.500 . 5.500 3.933 3.673 4.931 . 0 0 "[ . 1 . 2 . 3]" 1 1649 1 73 VAL QG 1 74 ALA MB 2.900 . 4.000 3.298 2.863 3.851 . 0 0 "[ . 1 . 2 . 3]" 1 1650 1 73 VAL QG 1 77 GLN QB 3.200 . 4.500 4.295 4.233 4.374 . 0 0 "[ . 1 . 2 . 3]" 1 1651 1 73 VAL QG 1 77 GLN QG 3.200 . 4.000 3.383 2.892 3.684 . 0 0 "[ . 1 . 2 . 3]" 1 1652 1 73 VAL MG1 1 73 VAL MG2 1.900 . 2.400 2.067 1.989 2.098 . 0 0 "[ . 1 . 2 . 3]" 1 1653 1 73 VAL QG 1 74 ALA HA 2.600 . 3.400 3.090 2.823 3.377 . 0 0 "[ . 1 . 2 . 3]" 1 1654 1 74 ALA HA 1 76 LEU QD 3.600 . 5.200 5.064 5.022 5.132 . 0 0 "[ . 1 . 2 . 3]" 1 1655 1 74 ALA HA 1 74 ALA MB 1.800 . 2.200 2.119 2.084 2.129 . 0 0 "[ . 1 . 2 . 3]" 1 1656 1 74 ALA HA 1 77 GLN QB 2.300 . 4.000 2.631 2.092 3.703 . 0 0 "[ . 1 . 2 . 3]" 1 1657 1 74 ALA HA 1 77 GLN QG 2.900 . 4.000 2.928 1.811 3.396 0.089 20 0 "[ . 1 . 2 . 3]" 1 1658 1 74 ALA MB 1 75 VAL HA 2.100 . 5.500 3.824 3.722 3.931 . 0 0 "[ . 1 . 2 . 3]" 1 1659 1 74 ALA MB 1 77 GLN QB 2.600 . 5.500 3.753 3.189 4.836 . 0 0 "[ . 1 . 2 . 3]" 1 1660 1 74 ALA MB 1 77 GLN QG 3.700 . 5.400 4.098 3.091 4.520 . 0 0 "[ . 1 . 2 . 3]" 1 1661 1 74 ALA MB 1 75 VAL QG 2.700 . 3.300 3.092 2.962 3.321 0.021 4 0 "[ . 1 . 2 . 3]" 1 1662 1 75 VAL HA 1 75 VAL QG 2.200 . 5.500 2.473 2.158 2.510 . 0 0 "[ . 1 . 2 . 3]" 1 1663 1 75 VAL HA 1 78 ALA MB 2.200 . 2.800 2.723 2.587 2.827 0.027 29 0 "[ . 1 . 2 . 3]" 1 1664 1 46 MET ME 1 75 VAL HA 3.800 . 5.500 4.435 3.954 5.159 . 0 0 "[ . 1 . 2 . 3]" 1 1665 1 75 VAL HA 1 75 VAL HB 2.500 . 3.300 2.316 2.276 3.005 . 0 0 "[ . 1 . 2 . 3]" 1 1666 1 75 VAL HB 1 75 VAL QG 2.100 . 2.500 1.871 1.854 1.892 . 0 0 "[ . 1 . 2 . 3]" 1 1667 1 75 VAL QG 1 76 LEU HA 2.600 . 3.400 2.964 2.607 3.374 . 0 0 "[ . 1 . 2 . 3]" 1 1668 1 75 VAL QG 1 79 HIS HA 2.100 . 5.500 5.300 5.139 5.367 . 0 0 "[ . 1 . 2 . 3]" 1 1669 1 47 LEU HB2 1 75 VAL QG 2.500 . 5.500 4.787 4.463 5.037 . 0 0 "[ . 1 . 2 . 3]" 1 1670 1 42 LYS QG 1 75 VAL QG 3.000 . 5.500 4.488 3.872 4.869 . 0 0 "[ . 1 . 2 . 3]" 1 1671 1 72 ALA MB 1 75 VAL QG 2.700 . 3.600 2.894 2.759 2.977 . 0 0 "[ . 1 . 2 . 3]" 1 1672 1 43 ILE HB 1 75 VAL QG 2.100 . 5.500 4.746 4.453 4.910 . 0 0 "[ . 1 . 2 . 3]" 1 1673 1 75 VAL QG 1 79 HIS HB2 2.800 . 5.500 3.587 3.249 3.961 . 0 0 "[ . 1 . 2 . 3]" 1 1674 1 76 LEU QB 1 76 LEU QD 2.300 . 3.000 1.929 1.742 2.041 0.058 21 0 "[ . 1 . 2 . 3]" 1 1675 1 77 GLN HA 1 77 GLN QG 2.200 . 5.500 2.773 2.318 3.424 . 0 0 "[ . 1 . 2 . 3]" 1 1676 1 76 LEU QB 1 77 GLN QG 4.200 . 5.500 3.591 3.187 4.264 . 0 0 "[ . 1 . 2 . 3]" 1 1677 1 79 HIS HA 1 83 GLU QB 3.100 . 4.300 4.030 2.390 4.267 . 0 0 "[ . 1 . 2 . 3]" 1 1678 1 76 LEU HA 1 79 HIS HB3 2.700 . 3.600 2.577 2.078 3.433 . 0 0 "[ . 1 . 2 . 3]" 1 1679 1 79 HIS HA 1 79 HIS HB3 2.600 . 3.400 3.013 2.928 3.036 . 0 0 "[ . 1 . 2 . 3]" 1 1680 1 78 ALA MB 1 79 HIS HB3 4.300 . 5.500 5.073 4.766 5.511 0.011 24 0 "[ . 1 . 2 . 3]" 1 1681 1 42 LYS HB3 1 79 HIS HB3 3.800 . 5.500 5.585 5.373 6.128 0.628 26 1 "[ . 1 . 2 .+ 3]" 1 1682 1 76 LEU HA 1 79 HIS HB2 3.100 . 4.300 2.491 2.039 3.360 . 0 0 "[ . 1 . 2 . 3]" 1 1683 1 79 HIS HA 1 79 HIS HB2 2.400 . 3.100 2.535 2.371 2.764 . 0 0 "[ . 1 . 2 . 3]" 1 1684 1 80 GLN HA 1 80 GLN HG3 2.600 . 3.400 2.955 2.170 3.444 0.044 19 0 "[ . 1 . 2 . 3]" 1 1685 1 80 GLN HA 1 80 GLN HG2 2.400 . 3.100 2.576 2.103 3.539 0.439 24 0 "[ . 1 . 2 . 3]" 1 1686 1 80 GLN HA 1 80 GLN HB3 2.200 . 2.800 2.632 2.381 2.941 0.141 21 0 "[ . 1 . 2 . 3]" 1 1687 1 80 GLN HA 1 80 GLN HB2 2.200 . 5.500 2.925 2.259 3.024 . 0 0 "[ . 1 . 2 . 3]" 1 1688 1 80 GLN HA 1 83 GLU QB 2.300 . 5.500 2.558 2.016 3.829 . 0 0 "[ . 1 . 2 . 3]" 1 1689 1 80 GLN HA 1 84 ALA MB 3.500 . 5.000 3.893 2.868 4.668 . 0 0 "[ . 1 . 2 . 3]" 1 1690 1 80 GLN HA 1 81 ALA MB 3.700 . 5.400 4.904 4.817 5.021 . 0 0 "[ . 1 . 2 . 3]" 1 1691 1 80 GLN HB3 1 81 ALA MB 3.800 . 5.500 4.884 3.728 5.444 . 0 0 "[ . 1 . 2 . 3]" 1 1692 1 80 GLN HB2 1 81 ALA MB 3.800 . 5.500 4.624 3.942 5.428 . 0 0 "[ . 1 . 2 . 3]" 1 1693 1 80 GLN HB2 1 84 ALA MB 3.800 . 5.500 4.976 4.148 5.540 0.040 19 0 "[ . 1 . 2 . 3]" 1 1694 1 80 GLN HB3 1 84 ALA MB 4.300 . 5.500 3.868 2.980 5.483 . 0 0 "[ . 1 . 2 . 3]" 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 102 _Distance_constraint_stats_list.Viol_count 344 _Distance_constraint_stats_list.Viol_total 589.451 _Distance_constraint_stats_list.Viol_max 0.739 _Distance_constraint_stats_list.Viol_rms 0.0349 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0064 _Distance_constraint_stats_list.Viol_average_violations_only 0.0571 _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 20 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 21 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 25 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 26 GLU 0.023 0.014 12 0 "[ . 1 . 2 . 3]" 1 28 LEU 0.732 0.090 22 0 "[ . 1 . 2 . 3]" 1 29 PHE 2.565 0.108 26 0 "[ . 1 . 2 . 3]" 1 40 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 41 GLY 0.868 0.108 26 0 "[ . 1 . 2 . 3]" 1 42 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 44 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 46 MET 0.603 0.150 14 0 "[ . 1 . 2 . 3]" 1 47 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 48 LEU 0.309 0.050 29 0 "[ . 1 . 2 . 3]" 1 50 ILE 0.552 0.046 21 0 "[ . 1 . 2 . 3]" 1 68 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 69 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 70 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 71 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 75 VAL 0.666 0.164 4 0 "[ . 1 . 2 . 3]" 2 2 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 2 4 SER 1.220 0.276 4 0 "[ . 1 . 2 . 3]" 2 5 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 2 6 LEU 0.227 0.099 13 0 "[ . 1 . 2 . 3]" 2 7 ASN 2.837 0.112 28 0 "[ . 1 . 2 . 3]" 2 8 PRO 1.940 0.112 28 0 "[ . 1 . 2 . 3]" 2 9 ASN 0.270 0.024 23 0 "[ . 1 . 2 . 3]" 2 10 ALA 2.835 0.276 4 0 "[ . 1 . 2 . 3]" 2 11 LYS 2.741 0.739 27 3 "[ . 1 - 2 . +* 3]" 2 12 GLU 0.007 0.007 26 0 "[ . 1 . 2 . 3]" 2 13 PHE 3.756 0.090 22 0 "[ . 1 . 2 . 3]" 2 14 VAL 0.020 0.013 28 0 "[ . 1 . 2 . 3]" 2 17 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 2 18 LYS 0.613 0.056 23 0 "[ . 1 . 2 . 3]" 2 19 TYR 7.652 0.338 14 0 "[ . 1 . 2 . 3]" 2 20 GLY 6.419 0.338 14 0 "[ . 1 . 2 . 3]" 2 21 ASN 0.037 0.037 4 0 "[ . 1 . 2 . 3]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 75 VAL QG 2 4 SER HA 4.100 . 5.500 3.706 2.713 4.962 . 0 0 "[ . 1 . 2 . 3]" 2 2 1 75 VAL QG 2 4 SER QB 2.900 . 5.500 3.449 2.618 3.963 . 0 0 "[ . 1 . 2 . 3]" 2 3 1 47 LEU QD 2 4 SER QB 4.600 . 5.500 3.543 2.822 3.905 . 0 0 "[ . 1 . 2 . 3]" 2 4 2 2 VAL QG 2 4 SER QB 5.100 . 5.500 3.849 2.309 5.051 . 0 0 "[ . 1 . 2 . 3]" 2 5 2 5 ASN HA 2 5 ASN QB 2.200 . 2.800 2.447 2.207 2.542 . 0 0 "[ . 1 . 2 . 3]" 2 6 2 5 ASN HB2 2 6 LEU HB2 5.000 . 5.500 4.025 3.537 4.710 . 0 0 "[ . 1 . 2 . 3]" 2 7 2 6 LEU HA 2 6 LEU QD 2.900 . 4.000 2.147 1.901 2.585 0.099 13 0 "[ . 1 . 2 . 3]" 2 8 1 70 ASP HB3 2 6 LEU QD 4.100 . 5.500 5.072 4.746 5.424 . 0 0 "[ . 1 . 2 . 3]" 2 9 1 68 LYS QE 2 6 LEU QD 3.400 . 4.800 3.343 2.441 4.009 . 0 0 "[ . 1 . 2 . 3]" 2 10 1 71 GLU HA 2 6 LEU QD 3.600 . 5.200 4.571 4.126 5.002 . 0 0 "[ . 1 . 2 . 3]" 2 11 1 69 VAL QG 2 6 LEU QD 2.300 . 5.500 3.705 3.268 4.439 . 0 0 "[ . 1 . 2 . 3]" 2 12 1 75 VAL QG 2 6 LEU QD 3.200 . 4.500 3.537 2.764 4.259 . 0 0 "[ . 1 . 2 . 3]" 2 13 2 6 LEU HB3 2 6 LEU QD 2.100 . 2.700 2.216 2.025 2.517 . 0 0 "[ . 1 . 2 . 3]" 2 14 1 68 LYS HD3 2 6 LEU QD 2.600 . 5.500 3.148 2.036 4.434 . 0 0 "[ . 1 . 2 . 3]" 2 15 2 7 ASN HA 2 7 ASN HB3 2.800 . 3.800 2.954 2.907 2.973 . 0 0 "[ . 1 . 2 . 3]" 2 16 2 7 ASN HA 2 7 ASN HB2 2.900 . 4.000 2.714 2.679 2.783 . 0 0 "[ . 1 . 2 . 3]" 2 17 2 4 SER QB 2 7 ASN HA 2.600 . 5.500 4.937 4.719 5.159 . 0 0 "[ . 1 . 2 . 3]" 2 18 2 7 ASN HA 2 8 PRO HA 2.500 . 5.500 4.464 4.438 4.499 . 0 0 "[ . 1 . 2 . 3]" 2 19 1 47 LEU QD 2 7 ASN HA 4.200 . 5.500 3.701 3.414 3.860 . 0 0 "[ . 1 . 2 . 3]" 2 20 1 50 ILE HG13 2 7 ASN HA 4.400 . 5.500 5.500 5.275 5.546 0.046 21 0 "[ . 1 . 2 . 3]" 2 21 2 7 ASN HB2 2 10 ALA MB 3.300 . 4.700 4.666 3.924 4.730 0.030 6 0 "[ . 1 . 2 . 3]" 2 22 2 4 SER QB 2 7 ASN HB2 3.700 . 5.400 4.816 4.337 5.089 . 0 0 "[ . 1 . 2 . 3]" 2 23 2 7 ASN HB3 2 8 PRO HA 3.400 . 4.800 4.865 4.842 4.912 0.112 28 0 "[ . 1 . 2 . 3]" 2 24 2 10 ALA HA 2 11 LYS QG 4.300 . 5.500 3.927 3.516 5.352 . 0 0 "[ . 1 . 2 . 3]" 2 25 2 9 ASN HB3 2 10 ALA HA 4.600 . 5.500 5.265 5.076 5.462 . 0 0 "[ . 1 . 2 . 3]" 2 26 1 46 MET QG 2 10 ALA HA 4.500 . 5.500 4.511 4.042 5.002 . 0 0 "[ . 1 . 2 . 3]" 2 27 2 9 ASN HA 2 10 ALA HA 4.200 . 5.500 4.702 4.631 4.781 . 0 0 "[ . 1 . 2 . 3]" 2 28 1 47 LEU QD 2 10 ALA MB 3.000 . 4.100 3.150 2.572 3.413 . 0 0 "[ . 1 . 2 . 3]" 2 29 2 2 VAL QG 2 10 ALA MB 2.700 . 5.500 3.215 1.775 5.496 . 0 0 "[ . 1 . 2 . 3]" 2 30 1 46 MET ME 2 10 ALA MB 2.900 . 4.000 3.053 2.015 4.050 0.050 6 0 "[ . 1 . 2 . 3]" 2 31 1 46 MET QB 2 10 ALA MB 2.800 . 3.800 1.874 1.650 2.062 0.150 14 0 "[ . 1 . 2 . 3]" 2 32 1 75 VAL HB 2 10 ALA MB 3.200 . 4.500 4.427 4.052 4.664 0.164 4 0 "[ . 1 . 2 . 3]" 2 33 1 46 MET QG 2 10 ALA MB 2.400 . 4.000 3.515 3.344 3.650 . 0 0 "[ . 1 . 2 . 3]" 2 34 2 7 ASN HB3 2 10 ALA MB 2.900 . 4.000 3.568 3.058 3.664 . 0 0 "[ . 1 . 2 . 3]" 2 35 2 4 SER QB 2 10 ALA MB 3.100 . 4.300 1.952 1.624 2.253 0.276 4 0 "[ . 1 . 2 . 3]" 2 36 1 46 MET HA 2 10 ALA MB 2.200 . 5.500 3.416 3.030 3.700 . 0 0 "[ . 1 . 2 . 3]" 2 37 2 10 ALA HA 2 10 ALA MB 2.200 . 2.800 2.105 2.078 2.125 . 0 0 "[ . 1 . 2 . 3]" 2 38 2 11 LYS HA 2 11 LYS HG2 2.600 . 3.400 2.977 2.589 4.139 0.739 27 3 "[ . 1 - 2 . +* 3]" 2 39 2 11 LYS HA 2 11 LYS QB 2.200 . 2.800 2.241 2.143 2.315 . 0 0 "[ . 1 . 2 . 3]" 2 40 2 11 LYS HA 2 11 LYS QE 4.400 . 5.500 4.642 4.222 5.424 . 0 0 "[ . 1 . 2 . 3]" 2 41 2 12 GLU HA 2 12 GLU QG 2.700 . 3.600 2.279 1.996 2.634 . 0 0 "[ . 1 . 2 . 3]" 2 42 2 12 GLU HA 2 14 VAL QG 3.200 . 5.500 4.403 3.960 4.988 . 0 0 "[ . 1 . 2 . 3]" 2 43 1 42 LYS QG 2 12 GLU HA 4.200 . 5.500 5.002 3.910 5.187 . 0 0 "[ . 1 . 2 . 3]" 2 44 2 12 GLU HA 2 12 GLU QB 2.400 . 3.100 2.446 2.270 2.539 . 0 0 "[ . 1 . 2 . 3]" 2 45 2 12 GLU HB3 2 14 VAL QG 3.100 . 4.300 2.785 1.893 4.194 0.007 26 0 "[ . 1 . 2 . 3]" 2 46 2 13 PHE HA 2 13 PHE HB2 2.900 . 4.000 2.603 2.507 2.713 . 0 0 "[ . 1 . 2 . 3]" 2 47 2 13 PHE HA 2 13 PHE HB3 3.000 . 4.100 3.007 2.960 3.026 . 0 0 "[ . 1 . 2 . 3]" 2 48 2 14 VAL HB 2 14 VAL QG 2.100 . 2.500 1.879 1.858 1.894 . 0 0 "[ . 1 . 2 . 3]" 2 49 2 12 GLU QG 2 14 VAL QG 3.300 . 4.600 3.811 2.849 4.310 . 0 0 "[ . 1 . 2 . 3]" 2 50 2 14 VAL HA 2 14 VAL QG 2.100 . 2.700 2.214 2.019 2.591 . 0 0 "[ . 1 . 2 . 3]" 2 51 2 13 PHE HA 2 14 VAL QG 3.100 . 4.300 3.518 3.212 3.822 . 0 0 "[ . 1 . 2 . 3]" 2 52 2 17 VAL HA 2 17 VAL HB 2.700 . 3.600 2.578 2.411 2.977 . 0 0 "[ . 1 . 2 . 3]" 2 53 2 17 VAL HA 2 17 VAL QG 2.300 . 3.000 2.166 1.960 2.344 . 0 0 "[ . 1 . 2 . 3]" 2 54 1 21 LYS QE 2 17 VAL MG1 3.700 . 5.400 4.133 2.311 5.246 . 0 0 "[ . 1 . 2 . 3]" 2 55 2 18 LYS HA 2 18 LYS QG 2.800 . 3.800 2.725 2.050 3.411 . 0 0 "[ . 1 . 2 . 3]" 2 56 2 18 LYS HA 2 18 LYS QD 3.000 . 4.100 3.800 3.387 4.091 . 0 0 "[ . 1 . 2 . 3]" 2 57 2 18 LYS HA 2 19 TYR HB3 4.800 . 5.500 5.053 4.858 5.350 . 0 0 "[ . 1 . 2 . 3]" 2 58 2 19 TYR HA 2 19 TYR HB2 2.600 . 3.400 2.678 2.566 2.850 . 0 0 "[ . 1 . 2 . 3]" 2 59 2 19 TYR HA 2 19 TYR HB3 2.700 . 3.600 2.972 2.856 3.016 . 0 0 "[ . 1 . 2 . 3]" 2 60 2 19 TYR HB2 2 20 GLY HA3 4.100 . 5.500 5.714 5.488 5.838 0.338 14 0 "[ . 1 . 2 . 3]" 2 61 2 18 LYS QB 2 21 ASN HB3 4.300 . 5.500 3.530 1.963 5.202 0.037 4 0 "[ . 1 . 2 . 3]" 2 62 2 18 LYS QB 2 21 ASN HB2 4.000 . 5.500 3.120 2.022 5.219 . 0 0 "[ . 1 . 2 . 3]" 2 63 2 7 ASN HA 2 9 ASN H 4.000 . 5.000 3.574 3.431 3.774 . 0 0 "[ . 1 . 2 . 3]" 2 64 2 7 ASN HB2 2 9 ASN H 4.000 . 5.000 4.270 4.162 4.374 . 0 0 "[ . 1 . 2 . 3]" 2 65 2 7 ASN HB3 2 9 ASN H 4.000 . 5.000 2.800 2.649 2.923 . 0 0 "[ . 1 . 2 . 3]" 2 66 1 47 LEU QD 2 9 ASN H 4.000 . 5.000 4.849 4.571 4.936 . 0 0 "[ . 1 . 2 . 3]" 2 67 2 9 ASN HB3 2 11 LYS H 4.000 . 5.000 4.869 4.512 5.024 0.024 23 0 "[ . 1 . 2 . 3]" 2 68 2 9 ASN HB2 2 11 LYS H 4.000 . 5.000 4.917 4.609 5.022 0.022 23 0 "[ . 1 . 2 . 3]" 2 69 1 48 LEU QD 2 13 PHE QD 3.200 . 4.000 2.668 2.500 2.856 . 0 0 "[ . 1 . 2 . 3]" 2 70 1 48 LEU QD 2 13 PHE QE 4.000 . 5.000 2.552 2.147 2.668 . 0 0 "[ . 1 . 2 . 3]" 2 71 1 28 LEU QD 2 13 PHE QE 4.000 . 5.500 5.340 4.986 5.590 0.090 22 0 "[ . 1 . 2 . 3]" 2 72 1 44 THR MG 2 13 PHE QE 4.000 . 5.000 3.483 2.705 4.132 . 0 0 "[ . 1 . 2 . 3]" 2 73 2 13 PHE QE 2 18 LYS HA 4.000 . 5.500 5.511 5.315 5.556 0.056 23 0 "[ . 1 . 2 . 3]" 2 74 1 29 PHE QD 2 13 PHE QD 3.200 . 4.000 3.420 3.193 3.792 . 0 0 "[ . 1 . 2 . 3]" 2 75 1 29 PHE HB2 2 13 PHE QD 4.000 . 5.000 5.038 5.010 5.086 0.086 15 0 "[ . 1 . 2 . 3]" 2 76 1 29 PHE HB3 2 13 PHE QE 4.000 . 5.500 5.403 4.922 5.573 0.073 29 0 "[ . 1 . 2 . 3]" 2 77 1 29 PHE HB2 2 13 PHE QE 4.000 . 5.000 3.960 3.459 4.130 . 0 0 "[ . 1 . 2 . 3]" 2 78 2 13 PHE QD 2 19 TYR HB3 4.000 . 5.000 4.954 4.384 5.054 0.054 20 0 "[ . 1 . 2 . 3]" 2 79 2 13 PHE QD 2 19 TYR HB2 4.000 . 5.000 4.222 3.793 4.644 . 0 0 "[ . 1 . 2 . 3]" 2 80 2 13 PHE QE 2 19 TYR HB3 4.000 . 5.000 4.693 4.354 5.003 0.003 10 0 "[ . 1 . 2 . 3]" 2 81 2 13 PHE QE 2 19 TYR HB2 4.000 . 5.000 3.799 3.514 4.167 . 0 0 "[ . 1 . 2 . 3]" 2 82 1 29 PHE H 2 13 PHE QE 4.000 . 5.000 4.837 4.495 5.043 0.043 21 0 "[ . 1 . 2 . 3]" 2 83 1 26 GLU H 2 13 PHE HZ 4.000 . 5.000 4.868 4.636 5.014 0.014 12 0 "[ . 1 . 2 . 3]" 2 84 1 48 LEU QD 2 13 PHE H 4.000 . 5.000 4.766 4.414 5.047 0.047 9 0 "[ . 1 . 2 . 3]" 2 85 1 25 GLY HA3 2 13 PHE HZ 4.000 . 5.000 2.894 2.651 3.219 . 0 0 "[ . 1 . 2 . 3]" 2 86 1 25 GLY HA2 2 13 PHE HZ 4.000 . 5.000 1.965 1.816 2.158 . 0 0 "[ . 1 . 2 . 3]" 2 87 1 48 LEU QD 2 19 TYR QD 4.000 . 5.000 3.362 3.166 3.563 . 0 0 "[ . 1 . 2 . 3]" 2 88 1 48 LEU QD 2 19 TYR QE 4.000 . 5.000 4.951 4.777 5.050 0.050 29 0 "[ . 1 . 2 . 3]" 2 89 2 14 VAL H 2 19 TYR QD 4.000 . 5.000 4.226 3.262 4.996 . 0 0 "[ . 1 . 2 . 3]" 2 90 2 14 VAL H 2 19 TYR QE 4.000 . 5.000 4.197 3.406 5.013 0.013 28 0 "[ . 1 . 2 . 3]" 2 91 2 11 LYS HA 2 19 TYR QE 4.000 . 5.000 4.730 4.280 5.063 0.063 28 0 "[ . 1 . 2 . 3]" 2 92 2 11 LYS QB 2 19 TYR QD 4.000 . 5.000 4.248 3.711 5.016 0.016 27 0 "[ . 1 . 2 . 3]" 2 93 2 11 LYS HB3 2 19 TYR QE 4.000 . 5.000 3.430 2.767 4.317 . 0 0 "[ . 1 . 2 . 3]" 2 94 2 11 LYS HB2 2 19 TYR QE 4.000 . 5.000 2.328 1.771 4.153 0.029 19 0 "[ . 1 . 2 . 3]" 2 95 1 29 PHE QD 1 44 THR MG 3.200 . 4.000 2.332 1.960 2.637 . 0 0 "[ . 1 . 2 . 3]" 2 96 1 29 PHE QD 1 40 ALA MB 3.200 . 4.000 2.762 2.325 3.558 . 0 0 "[ . 1 . 2 . 3]" 2 97 1 29 PHE QE 1 40 ALA MB 3.200 . 4.000 2.651 2.189 3.188 . 0 0 "[ . 1 . 2 . 3]" 2 98 1 29 PHE HZ 1 40 ALA MB 4.000 . 5.000 4.334 3.857 4.479 . 0 0 "[ . 1 . 2 . 3]" 2 99 1 29 PHE HZ 1 41 GLY H 3.200 . 4.000 3.985 3.671 4.108 0.108 26 0 "[ . 1 . 2 . 3]" 2 100 1 20 GLN QE 2 18 LYS HA 3.200 . 4.000 2.950 2.476 3.401 . 0 0 "[ . 1 . 2 . 3]" 2 101 2 7 ASN QD 2 10 ALA MB 4.000 . 5.000 4.469 4.322 4.785 . 0 0 "[ . 1 . 2 . 3]" 2 102 2 7 ASN QD 2 10 ALA HA 4.000 . 5.000 3.919 3.534 4.440 . 0 0 "[ . 1 . 2 . 3]" 2 stop_ save_
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