NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
644689 | 6qk6 | 34356 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6qk6 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 551 _Distance_constraint_stats_list.Viol_count 379 _Distance_constraint_stats_list.Viol_total 556.336 _Distance_constraint_stats_list.Viol_max 0.986 _Distance_constraint_stats_list.Viol_rms 0.0209 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0025 _Distance_constraint_stats_list.Viol_average_violations_only 0.0734 _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 4 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 5 GLY 0.005 0.005 13 0 "[ . 1 . 2]" 1 6 LYS 0.425 0.237 3 0 "[ . 1 . 2]" 1 7 GLY 0.406 0.237 3 0 "[ . 1 . 2]" 1 8 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 9 LYS 0.713 0.237 3 0 "[ . 1 . 2]" 1 10 CYS 0.759 0.133 12 0 "[ . 1 . 2]" 1 11 THR 4.563 0.237 4 0 "[ . 1 . 2]" 1 12 SER 0.659 0.158 19 0 "[ . 1 . 2]" 1 13 ALA 0.004 0.004 16 0 "[ . 1 . 2]" 1 14 CYS 0.090 0.051 15 0 "[ . 1 . 2]" 1 15 ARG 0.450 0.237 3 0 "[ . 1 . 2]" 1 16 SER 0.890 0.214 17 0 "[ . 1 . 2]" 1 17 GLU 1.117 0.214 17 0 "[ . 1 . 2]" 1 18 PRO 2.447 0.986 19 1 "[ . 1 . +2]" 1 19 CYS 2.338 0.167 9 0 "[ . 1 . 2]" 1 20 GLN 1.455 0.986 19 1 "[ . 1 . +2]" 1 21 CYS 0.631 0.165 14 0 "[ . 1 . 2]" 1 22 GLY 1.839 0.621 11 2 "[ - 1+ . 2]" 1 23 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 24 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 25 CYS 2.349 0.621 11 2 "[ - 1+ . 2]" 1 26 GLN 2.418 0.237 4 0 "[ . 1 . 2]" 1 27 CYS 0.117 0.084 5 0 "[ . 1 . 2]" 1 28 GLY 2.276 0.142 4 0 "[ . 1 . 2]" 1 29 GLU 0.049 0.049 9 0 "[ . 1 . 2]" 1 30 GLY 0.141 0.141 12 0 "[ . 1 . 2]" 1 31 CYS 0.824 0.265 12 0 "[ . 1 . 2]" 1 32 THR 0.719 0.265 12 0 "[ . 1 . 2]" 1 33 CYS 1.115 0.389 11 0 "[ . 1 . 2]" 1 34 ALA 0.289 0.275 11 0 "[ . 1 . 2]" 1 35 ALA 1.770 0.167 9 0 "[ . 1 . 2]" 1 36 CYS 0.355 0.355 11 0 "[ . 1 . 2]" 1 37 LYS 1.993 0.389 11 0 "[ . 1 . 2]" 1 38 THR 1.924 0.319 8 0 "[ . 1 . 2]" 1 39 CYS 0.508 0.096 2 0 "[ . 1 . 2]" 1 40 ASN 0.446 0.146 13 0 "[ . 1 . 2]" 1 41 CYS 2.344 0.154 1 0 "[ . 1 . 2]" 1 42 THR 3.085 0.180 8 0 "[ . 1 . 2]" 1 43 SER 0.107 0.057 10 0 "[ . 1 . 2]" 1 44 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 45 GLY 1.273 0.180 8 0 "[ . 1 . 2]" 1 46 CYS 2.517 0.248 19 0 "[ . 1 . 2]" 1 47 LYS 0.787 0.098 2 0 "[ . 1 . 2]" 1 48 CYS 0.674 0.098 2 0 "[ . 1 . 2]" 1 49 GLY 0.239 0.085 8 0 "[ . 1 . 2]" 1 50 LYS 0.203 0.064 6 0 "[ . 1 . 2]" 1 51 GLU 0.209 0.064 6 0 "[ . 1 . 2]" 1 52 CYS 0.387 0.084 19 0 "[ . 1 . 2]" 1 53 THR 2.053 0.248 19 0 "[ . 1 . 2]" 1 54 GLY 1.160 0.151 2 0 "[ . 1 . 2]" 1 55 PRO 0.925 0.138 2 0 "[ . 1 . 2]" 1 56 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 57 SER 0.508 0.107 5 0 "[ . 1 . 2]" 1 58 CYS 0.804 0.138 2 0 "[ . 1 . 2]" 1 59 LYS 0.082 0.082 1 0 "[ . 1 . 2]" 1 60 CYS 0.082 0.082 1 0 "[ . 1 . 2]" 1 61 GLY 0.091 0.058 8 0 "[ . 1 . 2]" 1 62 SER 0.214 0.087 9 0 "[ . 1 . 2]" 1 63 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 64 CYS 0.217 0.087 9 0 "[ . 1 . 2]" 1 65 SER 0.003 0.003 1 0 "[ . 1 . 2]" 1 66 CYS 1.751 0.146 13 0 "[ . 1 . 2]" 1 67 LYS 0.374 0.141 12 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 14 CYS QB 1 16 SER H 4.900 . 4.900 4.537 4.400 4.686 . 0 0 "[ . 1 . 2]" 1 2 1 16 SER H 1 20 GLN QG 5.300 . 5.300 4.253 3.940 4.517 . 0 0 "[ . 1 . 2]" 1 3 1 16 SER H 1 20 GLN QB 5.240 . 5.240 4.582 4.249 4.821 . 0 0 "[ . 1 . 2]" 1 4 1 15 ARG QB 1 16 SER H 5.500 . 5.500 3.214 2.755 3.504 . 0 0 "[ . 1 . 2]" 1 5 1 13 ALA MB 1 16 SER H 5.000 . 5.000 4.590 4.398 4.788 . 0 0 "[ . 1 . 2]" 1 6 1 14 CYS HA 1 16 SER H 4.220 . 4.220 3.515 3.316 3.980 . 0 0 "[ . 1 . 2]" 1 7 1 13 ALA H 1 16 SER H 5.500 . 5.500 5.112 4.720 5.504 0.004 16 0 "[ . 1 . 2]" 1 8 1 15 ARG H 1 16 SER H 3.170 . 3.170 2.530 2.384 2.712 . 0 0 "[ . 1 . 2]" 1 9 1 19 CYS H 1 19 CYS HB2 2.900 . 2.900 2.357 2.132 2.517 . 0 0 "[ . 1 . 2]" 1 10 1 19 CYS H 1 19 CYS HB3 3.020 . 3.020 2.681 2.561 2.834 . 0 0 "[ . 1 . 2]" 1 11 1 18 PRO HB2 1 19 CYS H 3.200 . 3.200 2.647 2.272 2.981 . 0 0 "[ . 1 . 2]" 1 12 1 19 CYS H 1 35 ALA MB 3.850 . 3.850 3.734 3.324 3.972 0.122 13 0 "[ . 1 . 2]" 1 13 1 48 CYS H 1 48 CYS QB . . 3.620 2.506 2.308 2.737 . 0 0 "[ . 1 . 2]" 1 14 1 48 CYS H 1 66 CYS QB 5.270 . 5.270 3.743 3.283 4.321 . 0 0 "[ . 1 . 2]" 1 15 1 47 LYS HB2 1 48 CYS H 4.220 . 4.220 3.243 2.526 3.814 . 0 0 "[ . 1 . 2]" 1 16 1 47 LYS H 1 48 CYS H 3.010 . 3.010 2.002 1.872 2.112 . 0 0 "[ . 1 . 2]" 1 17 1 24 LYS HA 1 25 CYS H 3.180 . 3.180 2.552 2.154 3.082 . 0 0 "[ . 1 . 2]" 1 18 1 21 CYS HA 1 25 CYS H 4.830 . 4.830 4.454 3.519 4.995 0.165 14 0 "[ . 1 . 2]" 1 19 1 25 CYS H 1 26 GLN H 4.630 . 4.630 4.420 4.209 4.575 . 0 0 "[ . 1 . 2]" 1 20 1 53 THR HB 1 54 GLY H 5.330 . 5.330 4.007 3.847 4.113 . 0 0 "[ . 1 . 2]" 1 21 1 53 THR HA 1 54 GLY H 3.290 . 3.290 2.583 2.299 2.876 . 0 0 "[ . 1 . 2]" 1 22 1 53 THR MG 1 54 GLY H 4.560 . 4.560 4.334 4.235 4.399 . 0 0 "[ . 1 . 2]" 1 23 1 53 THR H 1 54 GLY H 3.580 . 3.580 2.986 2.513 3.512 . 0 0 "[ . 1 . 2]" 1 24 1 42 THR H 1 54 GLY H 5.370 . 5.370 5.274 4.549 5.521 0.151 2 0 "[ . 1 . 2]" 1 25 1 25 CYS QB 1 26 GLN H 5.500 . 5.500 3.345 3.198 3.570 . 0 0 "[ . 1 . 2]" 1 26 1 14 CYS QB 1 26 GLN H 5.500 . 5.500 3.998 3.665 4.321 . 0 0 "[ . 1 . 2]" 1 27 1 26 GLN H 1 26 GLN HB2 3.410 . 3.410 2.744 2.487 3.135 . 0 0 "[ . 1 . 2]" 1 28 1 42 THR HB 1 44 ASP H 3.680 . 3.680 2.772 2.595 3.113 . 0 0 "[ . 1 . 2]" 1 29 1 44 ASP H 1 45 GLY QA 5.500 . 5.500 4.050 3.686 4.266 . 0 0 "[ . 1 . 2]" 1 30 1 42 THR MG 1 44 ASP H 4.500 . 4.500 4.133 4.026 4.305 . 0 0 "[ . 1 . 2]" 1 31 1 42 THR H 1 44 ASP H 5.080 . 5.080 4.007 3.574 4.656 . 0 0 "[ . 1 . 2]" 1 32 1 43 SER H 1 44 ASP H 4.150 . 4.150 2.644 2.518 2.710 . 0 0 "[ . 1 . 2]" 1 33 1 60 CYS QB 1 61 GLY H 3.430 . 3.430 2.790 2.172 3.253 . 0 0 "[ . 1 . 2]" 1 34 1 61 GLY H 1 64 CYS QB . . 4.820 3.642 2.669 4.548 . 0 0 "[ . 1 . 2]" 1 35 1 60 CYS H 1 61 GLY H 4.890 . 4.890 4.560 4.480 4.626 . 0 0 "[ . 1 . 2]" 1 36 1 38 THR HA 1 39 CYS H 2.540 . 2.540 2.489 2.175 2.636 0.096 2 0 "[ . 1 . 2]" 1 37 1 39 CYS H 1 55 PRO QD 3.600 . 3.600 3.242 2.803 3.594 . 0 0 "[ . 1 . 2]" 1 38 1 21 CYS HA 1 24 LYS H 4.850 . 4.850 2.968 2.543 3.316 . 0 0 "[ . 1 . 2]" 1 39 1 21 CYS QB 1 24 LYS H 5.500 . 5.500 4.084 3.778 4.483 . 0 0 "[ . 1 . 2]" 1 40 1 39 CYS H 1 39 CYS QB 3.700 . 3.700 2.678 2.487 2.783 . 0 0 "[ . 1 . 2]" 1 41 1 24 LYS H 1 24 LYS QB 3.480 . 3.480 2.660 2.336 3.154 . 0 0 "[ . 1 . 2]" 1 42 1 22 GLY H 1 24 LYS H 4.920 . 4.920 3.966 3.160 4.664 . 0 0 "[ . 1 . 2]" 1 43 1 55 PRO HA 1 57 SER H 4.410 . 4.410 4.294 3.787 4.517 0.107 5 0 "[ . 1 . 2]" 1 44 1 57 SER H 1 58 CYS H 3.100 . 3.100 2.397 2.190 3.027 . 0 0 "[ . 1 . 2]" 1 45 1 56 ASP H 1 57 SER H 4.010 . 4.010 2.587 2.441 2.701 . 0 0 "[ . 1 . 2]" 1 46 1 46 CYS H 1 51 GLU HA 5.500 . 5.500 4.092 3.315 4.556 . 0 0 "[ . 1 . 2]" 1 47 1 41 CYS QB 1 46 CYS H 4.970 . 4.970 4.251 3.103 4.730 . 0 0 "[ . 1 . 2]" 1 48 1 46 CYS H 1 53 THR MG 3.430 . 3.430 2.769 1.845 3.321 . 0 0 "[ . 1 . 2]" 1 49 1 46 CYS H 1 47 LYS H 4.880 . 4.880 4.500 4.126 4.616 . 0 0 "[ . 1 . 2]" 1 50 1 10 CYS HA 1 27 CYS H 5.150 . 5.150 4.750 4.452 5.005 . 0 0 "[ . 1 . 2]" 1 51 1 27 CYS H 1 27 CYS QB 2.930 . 2.930 2.362 2.290 2.427 . 0 0 "[ . 1 . 2]" 1 52 1 26 GLN HB3 1 27 CYS H 4.520 . 4.520 4.300 3.814 4.447 . 0 0 "[ . 1 . 2]" 1 53 1 26 GLN HB2 1 27 CYS H 4.280 . 4.280 3.972 3.690 4.364 0.084 5 0 "[ . 1 . 2]" 1 54 1 11 THR MG 1 27 CYS H 3.790 . 3.790 2.779 2.504 2.933 . 0 0 "[ . 1 . 2]" 1 55 1 27 CYS H 1 28 GLY H 4.890 . 4.890 4.548 4.408 4.622 . 0 0 "[ . 1 . 2]" 1 56 1 14 CYS H 1 14 CYS QB . . 2.930 2.265 2.238 2.291 . 0 0 "[ . 1 . 2]" 1 57 1 13 ALA MB 1 14 CYS H 3.280 . 3.280 2.553 2.382 2.736 . 0 0 "[ . 1 . 2]" 1 58 1 32 THR HA 1 33 CYS H 3.500 . 3.500 3.065 2.443 3.217 . 0 0 "[ . 1 . 2]" 1 59 1 31 CYS HA 1 33 CYS H 4.730 . 4.730 3.698 3.320 4.724 . 0 0 "[ . 1 . 2]" 1 60 1 32 THR MG 1 33 CYS H 4.470 . 4.470 3.400 3.161 4.235 . 0 0 "[ . 1 . 2]" 1 61 1 32 THR H 1 33 CYS H 3.580 . 3.580 2.265 1.981 2.974 . 0 0 "[ . 1 . 2]" 1 62 1 31 CYS H 1 33 CYS H 5.500 . 5.500 4.719 4.156 4.893 . 0 0 "[ . 1 . 2]" 1 63 1 19 CYS HB2 1 35 ALA H 5.500 . 5.500 4.967 4.508 5.304 . 0 0 "[ . 1 . 2]" 1 64 1 19 CYS HB3 1 35 ALA H 5.240 . 5.240 3.410 3.227 3.589 . 0 0 "[ . 1 . 2]" 1 65 1 35 ALA H 1 35 ALA MB 2.750 . 2.750 2.262 2.233 2.305 . 0 0 "[ . 1 . 2]" 1 66 1 35 ALA H 1 36 CYS H 2.920 . 2.920 2.516 2.230 2.767 . 0 0 "[ . 1 . 2]" 1 67 1 35 ALA H 1 36 CYS HA 5.290 . 5.290 5.133 4.920 5.288 . 0 0 "[ . 1 . 2]" 1 68 1 20 GLN HA 1 22 GLY H 5.090 . 5.090 3.524 3.065 5.043 . 0 0 "[ . 1 . 2]" 1 69 1 22 GLY H 1 25 CYS QB 5.500 . 5.500 4.286 2.798 4.934 . 0 0 "[ . 1 . 2]" 1 70 1 21 CYS QB 1 22 GLY H 3.950 . 3.950 3.324 1.994 3.810 . 0 0 "[ . 1 . 2]" 1 71 1 21 CYS H 1 22 GLY H 3.470 . 3.470 2.870 2.627 3.507 0.037 4 0 "[ . 1 . 2]" 1 72 1 10 CYS HA 1 11 THR H 2.850 . 2.850 2.280 2.147 2.482 . 0 0 "[ . 1 . 2]" 1 73 1 11 THR H 1 12 SER HA 5.380 . 5.380 5.380 5.235 5.538 0.158 19 0 "[ . 1 . 2]" 1 74 1 10 CYS QB 1 11 THR H 3.530 . 3.530 2.209 1.914 2.490 . 0 0 "[ . 1 . 2]" 1 75 1 11 THR H 1 14 CYS QB 3.720 . 3.720 2.482 2.305 2.717 . 0 0 "[ . 1 . 2]" 1 76 1 11 THR H 1 11 THR MG 3.100 . 3.100 2.229 2.017 2.476 . 0 0 "[ . 1 . 2]" 1 77 1 11 THR H 1 26 GLN H 5.500 . 5.500 4.156 3.863 4.455 . 0 0 "[ . 1 . 2]" 1 78 1 11 THR H 1 28 GLY H 5.500 . 5.500 5.507 5.173 5.642 0.142 4 0 "[ . 1 . 2]" 1 79 1 11 THR H 1 13 ALA H 4.960 . 4.960 4.544 4.341 4.787 . 0 0 "[ . 1 . 2]" 1 80 1 11 THR H 1 15 ARG H 4.850 . 4.850 4.624 4.216 4.932 0.082 10 0 "[ . 1 . 2]" 1 81 1 11 THR HA 1 13 ALA H 4.770 . 4.770 4.000 3.796 4.208 . 0 0 "[ . 1 . 2]" 1 82 1 13 ALA H 1 13 ALA MB 3.050 . 3.050 2.223 2.185 2.246 . 0 0 "[ . 1 . 2]" 1 83 1 13 ALA H 1 14 CYS H 3.720 . 3.720 2.504 2.342 2.694 . 0 0 "[ . 1 . 2]" 1 84 1 53 THR H 1 53 THR HB 4.120 . 4.120 3.791 3.709 3.865 . 0 0 "[ . 1 . 2]" 1 85 1 52 CYS QB 1 53 THR H . . 3.910 2.742 2.582 2.910 . 0 0 "[ . 1 . 2]" 1 86 1 53 THR H 1 53 THR MG 3.560 . 3.560 3.103 2.950 3.282 . 0 0 "[ . 1 . 2]" 1 87 1 65 SER HA 1 67 LYS H 4.140 . 4.140 3.502 3.274 3.927 . 0 0 "[ . 1 . 2]" 1 88 1 64 CYS QB 1 67 LYS H 5.260 . 5.260 3.397 2.929 3.569 . 0 0 "[ . 1 . 2]" 1 89 1 67 LYS H 1 67 LYS QB 2.930 . 2.930 2.599 2.428 2.720 . 0 0 "[ . 1 . 2]" 1 90 1 67 LYS H 1 67 LYS QG 3.040 . 3.040 2.734 2.513 2.892 . 0 0 "[ . 1 . 2]" 1 91 1 41 CYS H 1 54 GLY QA 4.700 . 4.700 4.543 3.911 4.703 0.003 13 0 "[ . 1 . 2]" 1 92 1 41 CYS H 1 41 CYS QB 2.870 . 2.870 2.437 2.379 2.483 . 0 0 "[ . 1 . 2]" 1 93 1 41 CYS H 1 42 THR MG 4.890 . 4.890 4.721 4.216 4.980 0.090 20 0 "[ . 1 . 2]" 1 94 1 41 CYS H 1 42 THR H 4.650 . 4.650 4.552 4.470 4.605 . 0 0 "[ . 1 . 2]" 1 95 1 41 CYS H 1 54 GLY H 4.770 . 4.770 4.266 3.817 4.749 . 0 0 "[ . 1 . 2]" 1 96 1 41 CYS H 1 66 CYS HA 4.680 . 4.680 4.708 4.383 4.821 0.141 5 0 "[ . 1 . 2]" 1 97 1 40 ASN H 1 41 CYS H 3.090 . 3.090 2.133 1.942 2.303 . 0 0 "[ . 1 . 2]" 1 98 1 27 CYS HA 1 28 GLY H 2.770 . 2.770 2.248 2.055 2.640 . 0 0 "[ . 1 . 2]" 1 99 1 28 GLY H 1 31 CYS HA 5.500 . 5.500 5.113 4.479 5.558 0.058 8 0 "[ . 1 . 2]" 1 100 1 27 CYS QB 1 28 GLY H 3.360 . 3.360 2.657 1.870 3.301 . 0 0 "[ . 1 . 2]" 1 101 1 9 LYS QB 1 28 GLY H 3.380 . 3.380 2.074 1.734 2.461 . 0 0 "[ . 1 . 2]" 1 102 1 9 LYS QB 1 28 GLY H 4.640 . 4.640 2.064 1.727 2.453 . 0 0 "[ . 1 . 2]" 1 103 1 10 CYS H 1 28 GLY H 4.580 . 4.580 4.544 4.255 4.703 0.123 10 0 "[ . 1 . 2]" 1 104 1 20 GLN H 1 21 CYS HA 4.790 . 4.790 4.595 4.335 4.846 0.056 7 0 "[ . 1 . 2]" 1 105 1 20 GLN H 1 21 CYS QB 4.810 . 4.810 4.379 4.179 4.604 . 0 0 "[ . 1 . 2]" 1 106 1 20 GLN H 1 20 GLN QG 3.520 . 3.520 2.677 2.319 3.081 . 0 0 "[ . 1 . 2]" 1 107 1 20 GLN H 1 20 GLN QB 3.120 . 3.120 2.507 2.407 2.579 . 0 0 "[ . 1 . 2]" 1 108 1 13 ALA MB 1 20 GLN H 3.940 . 3.940 2.994 2.806 3.133 . 0 0 "[ . 1 . 2]" 1 109 1 14 CYS H 1 20 GLN H 4.960 . 4.960 3.742 3.639 3.890 . 0 0 "[ . 1 . 2]" 1 110 1 14 CYS HA 1 20 GLN H 3.800 . 3.800 3.171 2.743 3.409 . 0 0 "[ . 1 . 2]" 1 111 1 42 THR HB 1 43 SER H 3.040 . 3.040 2.015 1.840 2.231 . 0 0 "[ . 1 . 2]" 1 112 1 42 THR MG 1 43 SER H 3.950 . 3.950 3.467 3.373 3.560 . 0 0 "[ . 1 . 2]" 1 113 1 31 CYS H 1 32 THR HB 5.500 . 5.500 5.354 4.578 5.765 0.265 12 0 "[ . 1 . 2]" 1 114 1 29 GLU QB 1 31 CYS H 5.500 . 5.500 4.640 4.375 4.900 . 0 0 "[ . 1 . 2]" 1 115 1 30 GLY H 1 31 CYS H 4.140 . 4.140 2.999 1.894 3.740 . 0 0 "[ . 1 . 2]" 1 116 1 59 LYS H 1 60 CYS HA 4.820 . 4.820 4.477 4.187 4.902 0.082 1 0 "[ . 1 . 2]" 1 117 1 52 CYS QB 1 59 LYS H 3.700 . 3.700 3.015 2.366 3.498 . 0 0 "[ . 1 . 2]" 1 118 1 20 GLN HA 1 21 CYS H 3.500 . 3.500 3.107 2.999 3.241 . 0 0 "[ . 1 . 2]" 1 119 1 58 CYS HA 1 60 CYS H 4.120 . 4.120 3.535 3.353 3.905 . 0 0 "[ . 1 . 2]" 1 120 1 21 CYS H 1 21 CYS QB 2.910 . 2.910 2.388 2.273 2.511 . 0 0 "[ . 1 . 2]" 1 121 1 60 CYS H 1 60 CYS QB 2.900 . 2.900 2.622 2.540 2.729 . 0 0 "[ . 1 . 2]" 1 122 1 20 GLN QB 1 21 CYS H 4.990 . 4.990 3.120 2.733 3.389 . 0 0 "[ . 1 . 2]" 1 123 1 13 ALA MB 1 21 CYS H 3.940 . 3.940 3.163 2.886 3.440 . 0 0 "[ . 1 . 2]" 1 124 1 20 GLN H 1 21 CYS H 2.920 . 2.920 2.442 2.242 2.644 . 0 0 "[ . 1 . 2]" 1 125 1 19 CYS H 1 21 CYS H 5.500 . 5.500 4.903 4.581 5.237 . 0 0 "[ . 1 . 2]" 1 126 1 14 CYS H 1 21 CYS H 5.500 . 5.500 4.656 4.472 4.851 . 0 0 "[ . 1 . 2]" 1 127 1 59 LYS H 1 60 CYS H 2.870 . 2.870 2.107 1.764 2.351 . 0 0 "[ . 1 . 2]" 1 128 1 43 SER HA 1 45 GLY H 3.990 . 3.990 3.763 3.409 4.047 0.057 10 0 "[ . 1 . 2]" 1 129 1 42 THR MG 1 45 GLY H 5.400 . 5.400 5.182 4.812 5.580 0.180 8 0 "[ . 1 . 2]" 1 130 1 45 GLY H 1 53 THR MG 3.670 . 3.670 3.015 2.632 3.404 . 0 0 "[ . 1 . 2]" 1 131 1 42 THR H 1 45 GLY H 4.010 . 4.010 3.671 3.100 4.080 0.070 8 0 "[ . 1 . 2]" 1 132 1 50 LYS H 1 51 GLU HA 4.630 . 4.630 4.544 4.302 4.694 0.064 6 0 "[ . 1 . 2]" 1 133 1 48 CYS QB 1 50 LYS H 5.220 . 5.220 3.861 3.624 4.149 . 0 0 "[ . 1 . 2]" 1 134 1 50 LYS H 1 50 LYS QG 3.330 . 3.330 2.585 2.298 3.157 . 0 0 "[ . 1 . 2]" 1 135 1 48 CYS HA 1 50 LYS H 5.370 . 5.370 4.839 4.660 5.064 . 0 0 "[ . 1 . 2]" 1 136 1 15 ARG H 1 16 SER HA 5.450 . 5.450 5.044 4.838 5.186 . 0 0 "[ . 1 . 2]" 1 137 1 14 CYS QB 1 15 ARG H 3.140 . 3.140 2.930 2.695 3.094 . 0 0 "[ . 1 . 2]" 1 138 1 13 ALA MB 1 15 ARG H 4.960 . 4.960 4.297 4.160 4.438 . 0 0 "[ . 1 . 2]" 1 139 1 29 GLU QB 1 30 GLY H 5.200 . 5.200 3.364 2.429 3.977 . 0 0 "[ . 1 . 2]" 1 140 1 7 GLY QA 1 10 CYS H 5.500 . 5.500 3.640 2.765 4.547 . 0 0 "[ . 1 . 2]" 1 141 1 7 GLY QA 1 10 CYS H 4.640 . 4.640 3.324 2.759 4.453 . 0 0 "[ . 1 . 2]" 1 142 1 10 CYS H 1 10 CYS QB 2.880 . 2.880 2.375 2.225 2.482 . 0 0 "[ . 1 . 2]" 1 143 1 9 LYS QB 1 10 CYS H . . 3.910 3.294 2.759 3.711 . 0 0 "[ . 1 . 2]" 1 144 1 9 LYS H 1 10 CYS H 3.380 . 3.380 2.414 2.134 3.513 0.133 12 0 "[ . 1 . 2]" 1 145 1 36 CYS H 1 37 LYS HA 5.070 . 5.070 4.737 4.451 4.953 . 0 0 "[ . 1 . 2]" 1 146 1 36 CYS H 1 36 CYS QB 3.550 . 3.550 2.922 2.661 3.142 . 0 0 "[ . 1 . 2]" 1 147 1 35 ALA MB 1 36 CYS H 3.110 . 3.110 2.582 2.260 3.079 . 0 0 "[ . 1 . 2]" 1 148 1 33 CYS H 1 36 CYS H 5.500 . 5.500 4.293 3.828 4.517 . 0 0 "[ . 1 . 2]" 1 149 1 36 CYS H 1 37 LYS H 2.890 . 2.890 2.103 1.782 2.396 . 0 0 "[ . 1 . 2]" 1 150 1 34 ALA HA 1 37 LYS H 4.160 . 4.160 3.356 2.849 3.787 . 0 0 "[ . 1 . 2]" 1 151 1 36 CYS QB 1 37 LYS H . . 4.740 3.631 3.320 3.950 . 0 0 "[ . 1 . 2]" 1 152 1 34 ALA MB 1 37 LYS H 4.920 . 4.920 3.974 3.805 4.194 . 0 0 "[ . 1 . 2]" 1 153 1 37 LYS H 1 38 THR MG 5.380 . 5.380 5.418 5.157 5.699 0.319 8 0 "[ . 1 . 2]" 1 154 1 35 ALA H 1 37 LYS H 4.030 . 4.030 3.615 3.396 3.862 . 0 0 "[ . 1 . 2]" 1 155 1 16 SER HA 1 17 GLU H 2.750 . 2.750 2.363 2.272 2.532 . 0 0 "[ . 1 . 2]" 1 156 1 17 GLU H 1 18 PRO QD 5.270 . 5.270 4.600 4.453 4.718 . 0 0 "[ . 1 . 2]" 1 157 1 17 GLU H 1 17 GLU HB3 3.560 . 3.560 3.292 3.171 3.499 . 0 0 "[ . 1 . 2]" 1 158 1 32 THR H 1 32 THR MG 4.040 . 4.040 2.188 1.981 2.616 . 0 0 "[ . 1 . 2]" 1 159 1 28 GLY QA 1 29 GLU H . . 3.000 2.209 2.114 2.290 . 0 0 "[ . 1 . 2]" 1 160 1 29 GLU H 1 29 GLU QB 3.230 . 3.230 2.684 2.367 3.117 . 0 0 "[ . 1 . 2]" 1 161 1 28 GLY H 1 29 GLU H 4.560 . 4.560 4.167 3.229 4.449 . 0 0 "[ . 1 . 2]" 1 162 1 37 LYS HA 1 38 THR H 2.530 . 2.530 2.143 2.090 2.194 . 0 0 "[ . 1 . 2]" 1 163 1 38 THR H 1 38 THR HB 3.680 . 3.680 3.064 2.904 3.238 . 0 0 "[ . 1 . 2]" 1 164 1 37 LYS H 1 38 THR H 4.730 . 4.730 4.369 4.227 4.548 . 0 0 "[ . 1 . 2]" 1 165 1 39 CYS HA 1 40 ASN H 2.570 . 2.570 2.270 2.193 2.371 . 0 0 "[ . 1 . 2]" 1 166 1 40 ASN H 1 55 PRO QD 5.500 . 5.500 5.325 5.065 5.400 . 0 0 "[ . 1 . 2]" 1 167 1 39 CYS QB 1 40 ASN H 5.170 . 5.170 2.360 2.043 2.745 . 0 0 "[ . 1 . 2]" 1 168 1 40 ASN H 1 40 ASN QB 2.840 . 2.840 2.391 2.279 2.510 . 0 0 "[ . 1 . 2]" 1 169 1 40 ASN H 1 67 LYS QD 5.230 . 5.230 3.931 3.327 4.668 . 0 0 "[ . 1 . 2]" 1 170 1 39 CYS H 1 40 ASN H 4.550 . 4.550 4.275 4.152 4.389 . 0 0 "[ . 1 . 2]" 1 171 1 54 GLY QA 1 56 ASP H 4.190 . 4.190 3.422 3.042 3.878 . 0 0 "[ . 1 . 2]" 1 172 1 54 GLY QA 1 56 ASP H 4.680 . 4.680 2.856 2.641 3.118 . 0 0 "[ . 1 . 2]" 1 173 1 39 CYS QB 1 56 ASP H 4.840 . 4.840 2.931 2.168 3.405 . 0 0 "[ . 1 . 2]" 1 174 1 56 ASP H 1 58 CYS H 5.110 . 5.110 3.900 3.590 4.812 . 0 0 "[ . 1 . 2]" 1 175 1 39 CYS HA 1 40 ASN QD 4.960 . 4.960 2.505 2.069 3.138 . 0 0 "[ . 1 . 2]" 1 176 1 9 LYS H 1 10 CYS QB 4.960 . 4.960 4.360 4.004 4.825 . 0 0 "[ . 1 . 2]" 1 177 1 9 LYS H 1 9 LYS QB 3.430 . 3.430 2.352 2.090 2.601 . 0 0 "[ . 1 . 2]" 1 178 1 34 ALA H 1 34 ALA MB 2.920 . 2.920 2.313 2.221 2.934 0.014 11 0 "[ . 1 . 2]" 1 179 1 48 CYS QB 1 66 CYS H 4.430 . 4.430 3.041 2.781 3.295 . 0 0 "[ . 1 . 2]" 1 180 1 66 CYS H 1 66 CYS QB 3.160 . 3.160 2.556 2.420 2.644 . 0 0 "[ . 1 . 2]" 1 181 1 64 CYS QB 1 66 CYS H 3.290 . 3.290 2.973 2.778 3.191 . 0 0 "[ . 1 . 2]" 1 182 1 48 CYS QB 1 66 CYS H 5.240 . 5.240 2.996 2.765 3.274 . 0 0 "[ . 1 . 2]" 1 183 1 66 CYS H 1 67 LYS QB 5.070 . 5.070 4.533 4.254 4.758 . 0 0 "[ . 1 . 2]" 1 184 1 66 CYS H 1 67 LYS QG . . 4.070 3.431 3.276 3.663 . 0 0 "[ . 1 . 2]" 1 185 1 66 CYS H 1 67 LYS H 3.040 . 3.040 2.730 2.360 2.888 . 0 0 "[ . 1 . 2]" 1 186 1 48 CYS HA 1 66 CYS H 5.380 . 5.380 5.168 4.722 5.449 0.069 6 0 "[ . 1 . 2]" 1 187 1 61 GLY H 1 62 SER H 4.870 . 4.870 3.981 2.577 4.610 . 0 0 "[ . 1 . 2]" 1 188 1 55 PRO HA 1 58 CYS H 3.680 . 3.680 3.534 3.118 3.818 0.138 2 0 "[ . 1 . 2]" 1 189 1 52 CYS QB 1 58 CYS H 5.180 . 5.180 3.285 2.820 3.718 . 0 0 "[ . 1 . 2]" 1 190 1 39 CYS QB 1 58 CYS H 5.500 . 5.500 4.179 3.959 4.696 . 0 0 "[ . 1 . 2]" 1 191 1 37 LYS QG 1 58 CYS H 5.500 . 5.500 4.813 4.257 5.434 . 0 0 "[ . 1 . 2]" 1 192 1 58 CYS H 1 59 LYS H 4.690 . 4.690 4.468 4.283 4.593 . 0 0 "[ . 1 . 2]" 1 193 1 47 LYS HA 1 49 GLY H 4.540 . 4.540 4.444 4.113 4.625 0.085 8 0 "[ . 1 . 2]" 1 194 1 48 CYS QB 1 49 GLY H 4.870 . 4.870 3.477 3.385 3.662 . 0 0 "[ . 1 . 2]" 1 195 1 47 LYS HB2 1 49 GLY H 4.910 . 4.910 4.079 3.957 4.192 . 0 0 "[ . 1 . 2]" 1 196 1 49 GLY H 1 50 LYS QG 5.500 . 5.500 4.143 3.795 4.502 . 0 0 "[ . 1 . 2]" 1 197 1 49 GLY H 1 50 LYS H 3.120 . 3.120 2.106 1.986 2.240 . 0 0 "[ . 1 . 2]" 1 198 1 47 LYS H 1 49 GLY H 4.350 . 4.350 3.614 2.974 3.883 . 0 0 "[ . 1 . 2]" 1 199 1 48 CYS H 1 49 GLY H 2.810 . 2.810 2.284 1.914 2.544 . 0 0 "[ . 1 . 2]" 1 200 1 49 GLY H 1 51 GLU H 5.270 . 5.270 3.227 2.970 3.497 . 0 0 "[ . 1 . 2]" 1 201 1 52 CYS H 1 58 CYS HA 5.400 . 5.400 5.221 4.753 5.465 0.065 19 0 "[ . 1 . 2]" 1 202 1 51 GLU HA 1 52 CYS H 3.190 . 3.190 2.825 2.419 3.072 . 0 0 "[ . 1 . 2]" 1 203 1 52 CYS H 1 52 CYS QB 3.700 . 3.700 2.882 2.726 3.152 . 0 0 "[ . 1 . 2]" 1 204 1 51 GLU QB 1 52 CYS H 5.500 . 5.500 3.605 3.511 3.735 . 0 0 "[ . 1 . 2]" 1 205 1 52 CYS H 1 53 THR MG 5.170 . 5.170 4.237 3.878 4.553 . 0 0 "[ . 1 . 2]" 1 206 1 51 GLU H 1 52 CYS H 3.490 . 3.490 2.650 2.515 2.852 . 0 0 "[ . 1 . 2]" 1 207 1 62 SER HA 1 64 CYS H 4.100 . 4.100 3.700 2.913 4.187 0.087 9 0 "[ . 1 . 2]" 1 208 1 64 CYS H 1 64 CYS QB 2.810 . 2.810 2.467 2.255 2.670 . 0 0 "[ . 1 . 2]" 1 209 1 64 CYS H 1 67 LYS QB 4.290 . 4.290 2.763 2.084 3.429 . 0 0 "[ . 1 . 2]" 1 210 1 64 CYS H 1 67 LYS QG 3.560 . 3.560 2.422 1.925 3.048 . 0 0 "[ . 1 . 2]" 1 211 1 64 CYS H 1 67 LYS H 4.800 . 4.800 4.287 3.782 4.803 0.003 13 0 "[ . 1 . 2]" 1 212 1 64 CYS H 1 65 SER H 4.770 . 4.770 4.471 4.368 4.588 . 0 0 "[ . 1 . 2]" 1 213 1 63 SER H 1 64 CYS H 3.880 . 3.880 2.961 2.224 3.869 . 0 0 "[ . 1 . 2]" 1 214 1 50 LYS HA 1 51 GLU H 3.530 . 3.530 3.209 3.079 3.294 . 0 0 "[ . 1 . 2]" 1 215 1 51 GLU H 1 51 GLU HA 2.910 . 2.910 2.255 2.224 2.276 . 0 0 "[ . 1 . 2]" 1 216 1 50 LYS QG 1 51 GLU H 4.900 . 4.900 4.432 4.258 4.629 . 0 0 "[ . 1 . 2]" 1 217 1 50 LYS H 1 51 GLU H 3.570 . 3.570 2.373 2.168 2.549 . 0 0 "[ . 1 . 2]" 1 218 1 48 CYS H 1 51 GLU H 5.500 . 5.500 4.959 4.636 5.512 0.012 2 0 "[ . 1 . 2]" 1 219 1 41 CYS HA 1 42 THR H 2.760 . 2.760 2.224 2.148 2.351 . 0 0 "[ . 1 . 2]" 1 220 1 42 THR H 1 53 THR HA 4.080 . 4.080 3.977 3.581 4.247 0.167 10 0 "[ . 1 . 2]" 1 221 1 41 CYS QB 1 42 THR H 3.130 . 3.130 2.867 2.405 3.075 . 0 0 "[ . 1 . 2]" 1 222 1 42 THR H 1 42 THR MG 3.310 . 3.310 2.807 2.502 2.999 . 0 0 "[ . 1 . 2]" 1 223 1 42 THR H 1 53 THR MG 4.910 . 4.910 4.289 4.086 4.660 . 0 0 "[ . 1 . 2]" 1 224 1 42 THR H 1 47 LYS H 5.500 . 5.500 4.827 3.974 5.353 . 0 0 "[ . 1 . 2]" 1 225 1 41 CYS QB 1 47 LYS H . . 3.740 2.735 2.394 3.055 . 0 0 "[ . 1 . 2]" 1 226 1 47 LYS H 1 47 LYS HB2 3.190 . 3.190 2.643 2.487 2.806 . 0 0 "[ . 1 . 2]" 1 227 1 7 GLY H 1 10 CYS QB 4.850 . 4.850 3.647 2.463 4.748 . 0 0 "[ . 1 . 2]" 1 228 1 64 CYS HA 1 65 SER H 2.730 . 2.730 2.449 2.324 2.535 . 0 0 "[ . 1 . 2]" 1 229 1 48 CYS QB 1 65 SER H 4.240 . 4.240 3.720 3.400 4.094 . 0 0 "[ . 1 . 2]" 1 230 1 64 CYS QB 1 65 SER H . . 3.990 3.163 3.042 3.286 . 0 0 "[ . 1 . 2]" 1 231 1 65 SER H 1 66 CYS H 3.170 . 3.170 2.626 2.514 2.712 . 0 0 "[ . 1 . 2]" 1 232 1 65 SER H 1 67 LYS H 4.660 . 4.660 4.246 3.993 4.392 . 0 0 "[ . 1 . 2]" 1 233 1 65 SER H 1 66 CYS HA 5.330 . 5.330 5.236 5.135 5.333 0.003 1 0 "[ . 1 . 2]" 1 234 1 11 THR MG 1 27 CYS QB . . 4.590 3.677 3.467 3.972 . 0 0 "[ . 1 . 2]" 1 235 1 10 CYS HA 1 27 CYS QB . . 3.300 3.052 2.839 3.224 . 0 0 "[ . 1 . 2]" 1 236 1 47 LYS H 1 47 LYS QD 5.500 . 5.500 4.346 3.616 4.788 . 0 0 "[ . 1 . 2]" 1 237 1 54 GLY QA 1 56 ASP HB3 5.500 . 5.500 4.002 3.812 4.265 . 0 0 "[ . 1 . 2]" 1 238 1 42 THR HA 1 42 THR HB 2.730 . 2.730 2.506 2.461 2.549 . 0 0 "[ . 1 . 2]" 1 239 1 41 CYS HA 1 42 THR HA 5.140 . 5.140 3.737 3.366 4.023 . 0 0 "[ . 1 . 2]" 1 240 1 42 THR HA 1 53 THR HA 4.750 . 4.750 3.963 3.397 4.475 . 0 0 "[ . 1 . 2]" 1 241 1 42 THR HA 1 42 THR MG 2.910 . 2.910 2.311 2.244 2.383 . 0 0 "[ . 1 . 2]" 1 242 1 42 THR HA 1 53 THR MG 5.500 . 5.500 4.725 4.408 5.426 . 0 0 "[ . 1 . 2]" 1 243 1 42 THR HA 1 43 SER H 3.310 . 3.310 2.585 2.458 2.758 . 0 0 "[ . 1 . 2]" 1 244 1 42 THR HA 1 44 ASP H 5.180 . 5.180 4.074 3.901 4.254 . 0 0 "[ . 1 . 2]" 1 245 1 42 THR HA 1 45 GLY H 5.500 . 5.500 4.952 4.688 5.352 . 0 0 "[ . 1 . 2]" 1 246 1 42 THR HA 1 54 GLY H 5.500 . 5.500 4.461 3.171 5.158 . 0 0 "[ . 1 . 2]" 1 247 1 44 ASP QB 1 45 GLY HA2 5.500 . 5.500 3.866 3.665 3.971 . 0 0 "[ . 1 . 2]" 1 248 1 8 GLU HA 1 9 LYS QB 5.500 . 5.500 5.293 5.153 5.401 . 0 0 "[ . 1 . 2]" 1 249 1 8 GLU HA 1 9 LYS HA 5.090 . 5.090 4.595 4.470 4.749 . 0 0 "[ . 1 . 2]" 1 250 1 38 THR HA 1 55 PRO QG 4.640 . 4.640 3.250 1.923 3.839 . 0 0 "[ . 1 . 2]" 1 251 1 28 GLY QA 1 29 GLU QG 5.500 . 5.500 3.298 2.999 3.757 . 0 0 "[ . 1 . 2]" 1 252 1 39 CYS HA 1 67 LYS QD 4.540 . 4.540 2.751 2.406 3.171 . 0 0 "[ . 1 . 2]" 1 253 1 38 THR MG 1 39 CYS HA 4.630 . 4.630 3.551 3.344 4.046 . 0 0 "[ . 1 . 2]" 1 254 1 39 CYS HA 1 41 CYS H 4.500 . 4.500 3.900 3.714 4.054 . 0 0 "[ . 1 . 2]" 1 255 1 60 CYS HA 1 61 GLY H 2.890 . 2.890 2.269 2.110 2.547 . 0 0 "[ . 1 . 2]" 1 256 1 10 CYS QB 1 15 ARG QG 4.330 . 4.330 2.983 2.436 4.140 . 0 0 "[ . 1 . 2]" 1 257 1 13 ALA MB 1 20 GLN HA 4.600 . 4.600 3.858 3.771 4.052 . 0 0 "[ . 1 . 2]" 1 258 1 13 ALA MB 1 21 CYS HA 3.250 . 3.250 2.651 2.115 3.109 . 0 0 "[ . 1 . 2]" 1 259 1 13 ALA MB 1 14 CYS QB 5.050 . 5.050 3.284 3.173 3.369 . 0 0 "[ . 1 . 2]" 1 260 1 13 ALA MB 1 20 GLN QB . . 3.080 2.022 1.819 2.335 . 0 0 "[ . 1 . 2]" 1 261 1 13 ALA MB 1 14 CYS HA 4.080 . 4.080 3.878 3.839 3.937 . 0 0 "[ . 1 . 2]" 1 262 1 19 CYS HA 1 20 GLN QB 4.960 . 4.960 4.329 4.146 4.412 . 0 0 "[ . 1 . 2]" 1 263 1 19 CYS HA 1 35 ALA MB 4.660 . 4.660 4.472 4.300 4.581 . 0 0 "[ . 1 . 2]" 1 264 1 19 CYS HA 1 20 GLN H 2.580 . 2.580 2.186 2.128 2.316 . 0 0 "[ . 1 . 2]" 1 265 1 16 SER H 1 19 CYS HA 4.720 . 4.720 3.915 3.510 4.345 . 0 0 "[ . 1 . 2]" 1 266 1 14 CYS HA 1 19 CYS HA 3.560 . 3.560 3.118 2.810 3.611 0.051 15 0 "[ . 1 . 2]" 1 267 1 28 GLY QA 1 29 GLU HA 5.500 . 5.500 3.521 2.410 3.887 . 0 0 "[ . 1 . 2]" 1 268 1 27 CYS QB 1 28 GLY QA 5.500 . 5.500 3.924 3.666 4.128 . 0 0 "[ . 1 . 2]" 1 269 1 39 CYS QB 1 67 LYS QD 5.500 . 5.500 3.617 2.705 3.853 . 0 0 "[ . 1 . 2]" 1 270 1 60 CYS QB 1 64 CYS H 5.500 . 5.500 4.541 4.043 5.059 . 0 0 "[ . 1 . 2]" 1 271 1 35 ALA MB 1 36 CYS QB . . 4.480 3.622 3.512 3.725 . 0 0 "[ . 1 . 2]" 1 272 1 19 CYS HB2 1 35 ALA MB 2.960 . 2.960 2.535 2.297 2.643 . 0 0 "[ . 1 . 2]" 1 273 1 19 CYS HB3 1 35 ALA MB 2.930 . 2.930 2.315 2.167 2.539 . 0 0 "[ . 1 . 2]" 1 274 1 27 CYS HA 1 28 GLY QA 4.780 . 4.780 3.851 3.801 3.931 . 0 0 "[ . 1 . 2]" 1 275 1 9 LYS QB 1 27 CYS HA 4.610 . 4.610 3.575 2.850 3.907 . 0 0 "[ . 1 . 2]" 1 276 1 11 THR MG 1 27 CYS HA 3.230 . 3.230 2.839 2.561 3.083 . 0 0 "[ . 1 . 2]" 1 277 1 9 LYS QG 1 28 GLY QA 5.090 . 5.090 3.196 1.994 3.691 . 0 0 "[ . 1 . 2]" 1 278 1 8 GLU QG 1 9 LYS QG 5.500 . 5.500 3.422 2.018 4.446 . 0 0 "[ . 1 . 2]" 1 279 1 21 CYS QB 1 25 CYS HA 2.920 . 2.920 2.546 2.220 2.796 . 0 0 "[ . 1 . 2]" 1 280 1 25 CYS HA 1 26 GLN HB3 5.500 . 5.500 4.943 4.412 5.120 . 0 0 "[ . 1 . 2]" 1 281 1 25 CYS HA 1 26 GLN HB2 4.390 . 4.390 4.296 4.093 4.422 0.032 18 0 "[ . 1 . 2]" 1 282 1 25 CYS HA 1 26 GLN H 2.740 . 2.740 2.150 2.046 2.244 . 0 0 "[ . 1 . 2]" 1 283 1 31 CYS HA 1 32 THR MG 4.230 . 4.230 3.714 3.535 3.953 . 0 0 "[ . 1 . 2]" 1 284 1 7 GLY QA 1 31 CYS HA 5.310 . 5.310 3.727 2.224 4.011 . 0 0 "[ . 1 . 2]" 1 285 1 31 CYS HA 1 32 THR H 3.550 . 3.550 2.186 2.103 2.342 . 0 0 "[ . 1 . 2]" 1 286 1 52 CYS QB 1 53 THR HA 5.270 . 5.270 3.607 3.491 3.841 . 0 0 "[ . 1 . 2]" 1 287 1 40 ASN H 1 66 CYS QB 4.920 . 4.920 2.280 2.026 2.512 . 0 0 "[ . 1 . 2]" 1 288 1 13 ALA HA 1 20 GLN QB 3.020 . 3.020 2.360 2.042 2.653 . 0 0 "[ . 1 . 2]" 1 289 1 13 ALA HA 1 20 GLN H 4.740 . 4.740 3.781 3.558 4.080 . 0 0 "[ . 1 . 2]" 1 290 1 13 ALA HA 1 15 ARG H 5.500 . 5.500 4.045 3.663 4.339 . 0 0 "[ . 1 . 2]" 1 291 1 13 ALA HA 1 16 SER H 4.430 . 4.430 3.759 3.460 4.101 . 0 0 "[ . 1 . 2]" 1 292 1 13 ALA HA 1 14 CYS HA 5.010 . 5.010 4.747 4.712 4.794 . 0 0 "[ . 1 . 2]" 1 293 1 63 SER HA 1 64 CYS QB 5.500 . 5.500 4.730 4.341 4.991 . 0 0 "[ . 1 . 2]" 1 294 1 23 SER HA 1 24 LYS QB 5.500 . 5.500 4.077 3.739 4.639 . 0 0 "[ . 1 . 2]" 1 295 1 52 CYS QB 1 58 CYS QB 4.750 . 4.750 2.756 2.385 3.060 . 0 0 "[ . 1 . 2]" 1 296 1 6 LYS H 1 10 CYS QB 5.500 . 5.500 5.035 4.291 5.428 . 0 0 "[ . 1 . 2]" 1 297 1 18 PRO HA 1 19 CYS HB2 4.730 . 4.730 4.553 4.325 4.734 0.004 5 0 "[ . 1 . 2]" 1 298 1 18 PRO HA 1 19 CYS HB3 5.500 . 5.500 5.136 4.962 5.322 . 0 0 "[ . 1 . 2]" 1 299 1 17 GLU HB2 1 18 PRO HA 3.520 . 3.520 3.065 2.720 3.487 . 0 0 "[ . 1 . 2]" 1 300 1 18 PRO HA 1 19 CYS H 2.810 . 2.810 2.464 2.316 2.621 . 0 0 "[ . 1 . 2]" 1 301 1 52 CYS QB 1 54 GLY H . . 3.860 3.260 2.791 3.804 . 0 0 "[ . 1 . 2]" 1 302 1 34 ALA MB 1 35 ALA H 3.730 . 3.730 3.242 3.068 3.415 . 0 0 "[ . 1 . 2]" 1 303 1 39 CYS QB 1 54 GLY HA3 5.090 . 5.090 2.671 2.064 3.039 . 0 0 "[ . 1 . 2]" 1 304 1 54 GLY HA2 1 55 PRO HG3 5.500 . 5.500 3.760 3.732 3.797 . 0 0 "[ . 1 . 2]" 1 305 1 39 CYS HB2 1 54 GLY HA2 4.020 . 4.020 3.624 3.176 3.877 . 0 0 "[ . 1 . 2]" 1 306 1 21 CYS QB 1 36 CYS HA 4.640 . 4.640 3.660 3.153 3.997 . 0 0 "[ . 1 . 2]" 1 307 1 11 THR HA 1 26 GLN HB3 5.500 . 5.500 5.476 4.329 5.737 0.237 4 0 "[ . 1 . 2]" 1 308 1 65 SER HA 1 67 LYS QB 5.500 . 5.500 4.898 4.602 5.338 . 0 0 "[ . 1 . 2]" 1 309 1 11 THR HA 1 26 GLN HB2 5.500 . 5.500 4.664 4.290 5.683 0.183 5 0 "[ . 1 . 2]" 1 310 1 11 THR HA 1 11 THR MG 2.800 . 2.800 2.386 2.345 2.443 . 0 0 "[ . 1 . 2]" 1 311 1 65 SER HA 1 66 CYS HA 4.730 . 4.730 4.652 4.570 4.716 . 0 0 "[ . 1 . 2]" 1 312 1 16 SER HA 1 20 GLN QG 5.440 . 5.440 4.651 4.409 4.801 . 0 0 "[ . 1 . 2]" 1 313 1 16 SER HA 1 17 GLU HG2 4.560 . 4.560 3.773 3.446 4.740 0.180 3 0 "[ . 1 . 2]" 1 314 1 16 SER HA 1 17 GLU HB3 4.690 . 4.690 4.512 4.395 4.717 0.027 3 0 "[ . 1 . 2]" 1 315 1 15 ARG QB 1 16 SER HA 5.310 . 5.310 4.135 3.872 4.293 . 0 0 "[ . 1 . 2]" 1 316 1 11 THR MG 1 12 SER QB 5.500 . 5.500 3.870 3.728 3.970 . 0 0 "[ . 1 . 2]" 1 317 1 37 LYS HA 1 38 THR MG 5.400 . 5.400 3.903 3.635 5.178 . 0 0 "[ . 1 . 2]" 1 318 1 36 CYS HA 1 37 LYS HA 5.150 . 5.150 4.704 4.570 4.935 . 0 0 "[ . 1 . 2]" 1 319 1 13 ALA MB 1 20 GLN QG 4.950 . 4.950 3.690 3.484 4.007 . 0 0 "[ . 1 . 2]" 1 320 1 62 SER QB 1 67 LYS QG 5.500 . 5.500 4.045 3.671 4.435 . 0 0 "[ . 1 . 2]" 1 321 1 36 CYS HA 1 36 CYS QB . . 2.730 2.164 2.151 2.179 . 0 0 "[ . 1 . 2]" 1 322 1 35 ALA MB 1 36 CYS HA 4.310 . 4.310 3.983 3.805 4.196 . 0 0 "[ . 1 . 2]" 1 323 1 21 CYS QB 1 36 CYS QB 3.470 . 3.470 1.900 1.691 2.100 . 0 0 "[ . 1 . 2]" 1 324 1 33 CYS QB 1 36 CYS QB 5.500 . 5.500 4.484 4.069 5.855 0.355 11 0 "[ . 1 . 2]" 1 325 1 21 CYS H 1 36 CYS QB 5.090 . 5.090 3.957 3.436 4.105 . 0 0 "[ . 1 . 2]" 1 326 1 40 ASN QB 1 42 THR MG 5.500 . 5.500 4.745 4.566 4.970 . 0 0 "[ . 1 . 2]" 1 327 1 39 CYS HA 1 40 ASN QB 5.500 . 5.500 3.823 3.641 4.035 . 0 0 "[ . 1 . 2]" 1 328 1 40 ASN QB 1 41 CYS H 5.040 . 5.040 3.193 3.034 3.338 . 0 0 "[ . 1 . 2]" 1 329 1 62 SER HA 1 67 LYS QB 4.400 . 4.400 3.140 2.116 3.785 . 0 0 "[ . 1 . 2]" 1 330 1 6 LYS QB 1 10 CYS QB 5.360 . 5.360 3.175 2.534 3.844 . 0 0 "[ . 1 . 2]" 1 331 1 67 LYS HA 1 67 LYS QD . . 2.850 2.058 1.834 2.198 . 0 0 "[ . 1 . 2]" 1 332 1 39 CYS QB 1 67 LYS QD 5.500 . 5.500 3.297 2.661 3.527 . 0 0 "[ . 1 . 2]" 1 333 1 64 CYS QB 1 67 LYS QD 5.500 . 5.500 3.847 3.468 4.132 . 0 0 "[ . 1 . 2]" 1 334 1 67 LYS H 1 67 LYS QD . . 4.590 3.683 3.261 4.052 . 0 0 "[ . 1 . 2]" 1 335 1 41 CYS QB 1 47 LYS QG 5.500 . 5.500 3.665 2.828 4.645 . 0 0 "[ . 1 . 2]" 1 336 1 41 CYS QB 1 42 THR MG 5.310 . 5.310 4.559 4.381 4.728 . 0 0 "[ . 1 . 2]" 1 337 1 41 CYS QB 1 53 THR HA . . 3.120 2.644 2.539 2.725 . 0 0 "[ . 1 . 2]" 1 338 1 41 CYS QB 1 54 GLY H . . 3.760 2.904 2.575 3.260 . 0 0 "[ . 1 . 2]" 1 339 1 48 CYS QB 1 66 CYS QB . . 3.130 1.896 1.770 2.240 . 0 0 "[ . 1 . 2]" 1 340 1 40 ASN H 1 66 CYS QB 3.440 . 3.440 2.402 2.059 2.841 . 0 0 "[ . 1 . 2]" 1 341 1 66 CYS QB 1 67 LYS H 4.800 . 4.800 3.993 3.843 4.044 . 0 0 "[ . 1 . 2]" 1 342 1 16 SER HB2 1 20 GLN HE21 5.500 . 5.500 4.156 3.390 5.075 . 0 0 "[ . 1 . 2]" 1 343 1 43 SER H 1 43 SER HB3 3.680 . 3.680 3.344 2.589 3.588 . 0 0 "[ . 1 . 2]" 1 344 1 44 ASP QB 1 45 GLY QA 5.500 . 5.500 3.589 3.432 3.738 . 0 0 "[ . 1 . 2]" 1 345 1 30 GLY QA 1 32 THR HB 5.470 . 5.470 4.067 3.980 4.118 . 0 0 "[ . 1 . 2]" 1 346 1 39 CYS HB2 1 58 CYS HB2 5.420 . 5.420 2.703 2.349 3.029 . 0 0 "[ . 1 . 2]" 1 347 1 46 CYS HA 1 53 THR MG 3.800 . 3.800 3.237 3.040 3.493 . 0 0 "[ . 1 . 2]" 1 348 1 53 THR HA 1 53 THR MG 2.720 . 2.720 2.310 2.265 2.356 . 0 0 "[ . 1 . 2]" 1 349 1 53 THR MG 1 54 GLY QA 5.500 . 5.500 5.065 5.030 5.102 . 0 0 "[ . 1 . 2]" 1 350 1 41 CYS QB 1 53 THR MG 4.320 . 4.320 3.520 3.272 3.789 . 0 0 "[ . 1 . 2]" 1 351 1 31 CYS QB 1 32 THR MG 5.500 . 5.500 5.029 4.809 5.253 . 0 0 "[ . 1 . 2]" 1 352 1 28 GLY QA 1 31 CYS QB 5.500 . 5.500 3.854 3.674 4.024 . 0 0 "[ . 1 . 2]" 1 353 1 40 ASN H 1 41 CYS QB 5.500 . 5.500 4.253 4.016 4.395 . 0 0 "[ . 1 . 2]" 1 354 1 31 CYS QB 1 32 THR H 5.300 . 5.300 3.632 3.385 3.876 . 0 0 "[ . 1 . 2]" 1 355 1 55 PRO QB 1 56 ASP HA 4.640 . 4.640 3.673 3.586 3.734 . 0 0 "[ . 1 . 2]" 1 356 1 56 ASP HA 1 58 CYS H 4.910 . 4.910 3.931 3.607 4.644 . 0 0 "[ . 1 . 2]" 1 357 1 6 LYS QG 1 33 CYS HB3 5.500 . 5.500 3.346 2.377 3.547 . 0 0 "[ . 1 . 2]" 1 358 1 28 GLY QA 1 29 GLU QB 5.490 . 5.490 4.159 3.922 4.318 . 0 0 "[ . 1 . 2]" 1 359 1 8 GLU QG 1 9 LYS HG2 5.500 . 5.500 3.644 2.028 5.226 . 0 0 "[ . 1 . 2]" 1 360 1 10 CYS HA 1 27 CYS HA 3.170 . 3.170 2.712 2.428 3.117 . 0 0 "[ . 1 . 2]" 1 361 1 10 CYS HA 1 10 CYS QB 2.780 . 2.780 2.386 2.303 2.469 . 0 0 "[ . 1 . 2]" 1 362 1 9 LYS QB 1 10 CYS HA . . 4.970 4.039 3.844 4.246 . 0 0 "[ . 1 . 2]" 1 363 1 10 CYS HA 1 28 GLY H 3.830 . 3.830 3.657 3.412 3.890 0.060 7 0 "[ . 1 . 2]" 1 364 1 13 ALA MB 1 21 CYS QB 5.500 . 5.500 3.567 3.369 3.756 . 0 0 "[ . 1 . 2]" 1 365 1 21 CYS QB 1 25 CYS QB 3.030 . 3.030 1.973 1.834 2.270 . 0 0 "[ . 1 . 2]" 1 366 1 41 CYS HA 1 46 CYS HA 4.460 . 4.460 4.121 3.827 4.359 . 0 0 "[ . 1 . 2]" 1 367 1 46 CYS HA 1 53 THR HA 3.680 . 3.680 3.684 3.193 3.928 0.248 19 0 "[ . 1 . 2]" 1 368 1 41 CYS QB 1 46 CYS HA 3.040 . 3.040 2.059 1.935 2.195 . 0 0 "[ . 1 . 2]" 1 369 1 46 CYS HA 1 47 LYS HB2 4.950 . 4.950 4.511 3.836 4.684 . 0 0 "[ . 1 . 2]" 1 370 1 46 CYS HA 1 47 LYS H 2.660 . 2.660 2.249 2.173 2.447 . 0 0 "[ . 1 . 2]" 1 371 1 46 CYS HA 1 48 CYS H 4.580 . 4.580 3.894 3.636 4.303 . 0 0 "[ . 1 . 2]" 1 372 1 41 CYS H 1 46 CYS HA 5.500 . 5.500 5.539 5.378 5.654 0.154 1 0 "[ . 1 . 2]" 1 373 1 50 LYS H 1 50 LYS QB . . 2.910 2.439 2.359 2.538 . 0 0 "[ . 1 . 2]" 1 374 1 19 CYS HB3 1 21 CYS H 5.070 . 5.070 3.575 3.315 3.732 . 0 0 "[ . 1 . 2]" 1 375 1 19 CYS HB3 1 20 GLN H 4.770 . 4.770 3.922 3.557 4.119 . 0 0 "[ . 1 . 2]" 1 376 1 52 CYS HA 1 58 CYS HA 4.080 . 4.080 3.920 3.498 4.164 0.084 19 0 "[ . 1 . 2]" 1 377 1 52 CYS HA 1 53 THR MG 4.980 . 4.980 3.658 3.548 3.832 . 0 0 "[ . 1 . 2]" 1 378 1 52 CYS HA 1 54 GLY H 5.500 . 5.500 4.614 4.026 5.237 . 0 0 "[ . 1 . 2]" 1 379 1 36 CYS QB 1 37 LYS HA 5.450 . 5.450 4.339 4.144 4.511 . 0 0 "[ . 1 . 2]" 1 380 1 25 CYS HA 1 36 CYS QB 5.090 . 5.090 4.297 3.707 4.698 . 0 0 "[ . 1 . 2]" 1 381 1 67 LYS HA 1 67 LYS QG 3.830 . 3.830 3.004 2.809 3.168 . 0 0 "[ . 1 . 2]" 1 382 1 62 SER HA 1 67 LYS QG . . 2.710 2.291 1.952 2.698 . 0 0 "[ . 1 . 2]" 1 383 1 64 CYS QB 1 67 LYS QG . . 3.570 2.059 1.895 2.267 . 0 0 "[ . 1 . 2]" 1 384 1 48 CYS HA 1 66 CYS QB 4.730 . 4.730 4.174 4.048 4.368 . 0 0 "[ . 1 . 2]" 1 385 1 47 LYS HB3 1 48 CYS HA 5.500 . 5.500 4.489 3.839 4.881 . 0 0 "[ . 1 . 2]" 1 386 1 47 LYS HB2 1 48 CYS HA 5.360 . 5.360 4.531 4.173 5.328 . 0 0 "[ . 1 . 2]" 1 387 1 17 GLU HA 1 17 GLU HG3 3.920 . 3.920 3.772 3.470 3.868 . 0 0 "[ . 1 . 2]" 1 388 1 16 SER HA 1 17 GLU HG3 5.500 . 5.500 4.953 3.047 5.377 . 0 0 "[ . 1 . 2]" 1 389 1 17 GLU HG3 1 18 PRO QD 5.500 . 5.500 4.396 4.100 5.614 0.114 3 0 "[ . 1 . 2]" 1 390 1 17 GLU H 1 17 GLU HG3 4.390 . 4.390 2.960 2.078 3.254 . 0 0 "[ . 1 . 2]" 1 391 1 47 LYS H 1 47 LYS HB3 4.120 . 4.120 3.735 3.047 3.876 . 0 0 "[ . 1 . 2]" 1 392 1 47 LYS HB3 1 48 CYS H 5.080 . 5.080 3.990 2.472 4.409 . 0 0 "[ . 1 . 2]" 1 393 1 11 THR MG 1 14 CYS QB 4.680 . 4.680 3.306 3.210 3.490 . 0 0 "[ . 1 . 2]" 1 394 1 10 CYS HA 1 14 CYS QB 5.500 . 5.500 3.663 3.384 3.887 . 0 0 "[ . 1 . 2]" 1 395 1 14 CYS QB 1 27 CYS QB 5.500 . 5.500 4.262 4.052 4.450 . 0 0 "[ . 1 . 2]" 1 396 1 14 CYS H 1 15 ARG QG 5.500 . 5.500 3.676 3.379 3.939 . 0 0 "[ . 1 . 2]" 1 397 1 7 GLY QA 1 8 GLU QB 5.370 . 5.370 3.630 3.350 3.877 . 0 0 "[ . 1 . 2]" 1 398 1 38 THR HA 1 38 THR HB 2.940 . 2.940 2.523 2.442 2.971 0.031 8 0 "[ . 1 . 2]" 1 399 1 31 CYS HA 1 32 THR HA 4.460 . 4.460 4.377 4.305 4.450 . 0 0 "[ . 1 . 2]" 1 400 1 38 THR HA 1 55 PRO QB 4.100 . 4.100 2.419 1.862 2.951 . 0 0 "[ . 1 . 2]" 1 401 1 62 SER HA 1 67 LYS QD 3.990 . 3.990 3.099 2.274 3.788 . 0 0 "[ . 1 . 2]" 1 402 1 12 SER HA 1 15 ARG H 3.960 . 3.960 3.368 3.174 3.666 . 0 0 "[ . 1 . 2]" 1 403 1 12 SER HA 1 14 CYS H 5.500 . 5.500 4.082 3.825 4.258 . 0 0 "[ . 1 . 2]" 1 404 1 25 CYS HA 1 26 GLN HA 5.240 . 5.240 4.014 3.833 4.178 . 0 0 "[ . 1 . 2]" 1 405 1 11 THR MG 1 26 GLN HA 4.250 . 4.250 3.697 3.584 3.821 . 0 0 "[ . 1 . 2]" 1 406 1 39 CYS H 1 40 ASN HA 5.070 . 5.070 4.528 4.435 4.697 . 0 0 "[ . 1 . 2]" 1 407 1 19 CYS HA 1 20 GLN QG 4.780 . 4.780 3.521 3.387 3.721 . 0 0 "[ . 1 . 2]" 1 408 1 20 GLN QG 1 21 CYS H 5.500 . 5.500 4.545 4.418 4.660 . 0 0 "[ . 1 . 2]" 1 409 1 26 GLN HB3 1 27 CYS HA 5.490 . 5.490 4.696 4.235 4.965 . 0 0 "[ . 1 . 2]" 1 410 1 14 CYS HA 1 19 CYS HB2 5.080 . 5.080 4.007 3.586 4.476 . 0 0 "[ . 1 . 2]" 1 411 1 16 SER HA 1 17 GLU HA 4.640 . 4.640 4.429 4.392 4.477 . 0 0 "[ . 1 . 2]" 1 412 1 17 GLU HA 1 19 CYS HA 4.670 . 4.670 3.771 3.364 4.306 . 0 0 "[ . 1 . 2]" 1 413 1 17 GLU HA 1 19 CYS HB2 5.460 . 5.460 4.875 4.487 5.367 . 0 0 "[ . 1 . 2]" 1 414 1 17 GLU HA 1 18 PRO HB3 4.280 . 4.280 4.240 4.135 4.322 0.042 14 0 "[ . 1 . 2]" 1 415 1 17 GLU HA 1 17 GLU HG2 4.150 . 4.150 3.748 3.627 4.161 0.011 3 0 "[ . 1 . 2]" 1 416 1 17 GLU HA 1 17 GLU HB3 2.970 . 2.970 2.387 2.275 2.441 . 0 0 "[ . 1 . 2]" 1 417 1 33 CYS QB 1 35 ALA MB 5.500 . 5.500 3.679 3.549 3.802 . 0 0 "[ . 1 . 2]" 1 418 1 6 LYS HA 1 31 CYS HA 5.500 . 5.500 3.874 2.070 5.514 0.014 12 0 "[ . 1 . 2]" 1 419 1 9 LYS HA 1 28 GLY QA 4.630 . 4.630 4.444 3.982 4.702 0.072 13 0 "[ . 1 . 2]" 1 420 1 14 CYS HA 1 19 CYS HB3 4.910 . 4.910 4.682 4.429 4.941 0.031 3 0 "[ . 1 . 2]" 1 421 1 14 CYS HA 1 20 GLN QB 5.090 . 5.090 4.867 4.487 5.054 . 0 0 "[ . 1 . 2]" 1 422 1 14 CYS HA 1 35 ALA MB 5.500 . 5.500 5.043 4.852 5.270 . 0 0 "[ . 1 . 2]" 1 423 1 14 CYS HA 1 21 CYS H 4.320 . 4.320 3.939 3.597 4.223 . 0 0 "[ . 1 . 2]" 1 424 1 47 LYS QG 1 66 CYS QB 5.500 . 5.500 4.097 3.674 4.452 . 0 0 "[ . 1 . 2]" 1 425 1 41 CYS H 1 66 CYS QB . . 3.580 2.671 2.461 3.011 . 0 0 "[ . 1 . 2]" 1 426 1 34 ALA HA 1 36 CYS H 5.480 . 5.480 4.180 3.515 4.841 . 0 0 "[ . 1 . 2]" 1 427 1 39 CYS HB2 1 55 PRO QD 3.200 . 3.200 2.724 2.122 2.962 . 0 0 "[ . 1 . 2]" 1 428 1 39 CYS HB2 1 41 CYS QB 4.890 . 4.890 2.960 2.575 3.328 . 0 0 "[ . 1 . 2]" 1 429 1 41 CYS H 1 53 THR HA 5.500 . 5.500 5.126 4.884 5.438 . 0 0 "[ . 1 . 2]" 1 430 1 45 GLY H 1 53 THR HA 5.500 . 5.500 4.681 4.276 5.087 . 0 0 "[ . 1 . 2]" 1 431 1 60 CYS QB 1 64 CYS QB 4.330 . 4.330 2.326 2.097 2.628 . 0 0 "[ . 1 . 2]" 1 432 1 62 SER HA 1 64 CYS QB 5.370 . 5.370 3.998 3.523 4.234 . 0 0 "[ . 1 . 2]" 1 433 1 61 GLY QA 1 64 CYS QB 5.500 . 5.500 3.996 3.348 4.492 . 0 0 "[ . 1 . 2]" 1 434 1 41 CYS QB 1 46 CYS QB 4.540 . 4.540 3.777 3.430 4.089 . 0 0 "[ . 1 . 2]" 1 435 1 6 LYS QG 1 15 ARG HA 3.420 . 3.420 2.514 2.249 3.017 . 0 0 "[ . 1 . 2]" 1 436 1 38 THR MG 1 39 CYS HB3 5.500 . 5.500 5.083 4.460 5.411 . 0 0 "[ . 1 . 2]" 1 437 1 39 CYS QB 1 55 PRO QD 3.900 . 3.900 1.924 1.834 2.116 . 0 0 "[ . 1 . 2]" 1 438 1 33 CYS H 1 37 LYS QB 4.640 . 4.640 3.197 2.919 3.329 . 0 0 "[ . 1 . 2]" 1 439 1 11 THR HB 1 13 ALA H 3.900 . 3.900 2.547 2.306 2.757 . 0 0 "[ . 1 . 2]" 1 440 1 19 CYS HB2 1 35 ALA HA 5.390 . 5.390 5.386 4.868 5.557 0.167 9 0 "[ . 1 . 2]" 1 441 1 19 CYS HB3 1 35 ALA HA 5.480 . 5.480 4.899 4.689 5.181 . 0 0 "[ . 1 . 2]" 1 442 1 35 ALA HA 1 37 LYS H 4.880 . 4.880 4.670 4.233 4.976 0.096 14 0 "[ . 1 . 2]" 1 443 1 35 ALA HA 1 36 CYS HA 4.950 . 4.950 4.530 4.450 4.618 . 0 0 "[ . 1 . 2]" 1 444 1 9 LYS QB 1 29 GLU H . . 4.150 3.657 2.231 4.199 0.049 9 0 "[ . 1 . 2]" 1 445 1 20 GLN HA 1 22 GLY HA2 5.500 . 5.500 3.946 3.877 4.076 . 0 0 "[ . 1 . 2]" 1 446 1 33 CYS HA 1 34 ALA MB 4.840 . 4.840 3.759 3.731 3.793 . 0 0 "[ . 1 . 2]" 1 447 1 33 CYS HA 1 34 ALA H 2.780 . 2.780 2.210 2.112 3.055 0.275 11 0 "[ . 1 . 2]" 1 448 1 33 CYS HA 1 35 ALA H 4.580 . 4.580 3.585 3.399 4.152 . 0 0 "[ . 1 . 2]" 1 449 1 10 CYS HA 1 11 THR MG 3.720 . 3.720 3.260 3.071 3.395 . 0 0 "[ . 1 . 2]" 1 450 1 11 THR MG 1 12 SER HA 5.500 . 5.500 5.173 4.863 5.415 . 0 0 "[ . 1 . 2]" 1 451 1 10 CYS QB 1 11 THR MG 5.360 . 5.360 3.440 3.262 3.702 . 0 0 "[ . 1 . 2]" 1 452 1 11 THR MG 1 26 GLN HB3 3.100 . 3.100 2.936 1.884 3.181 0.081 14 0 "[ . 1 . 2]" 1 453 1 9 LYS QB 1 11 THR MG 5.500 . 5.500 5.294 4.715 5.513 0.013 17 0 "[ . 1 . 2]" 1 454 1 11 THR MG 1 26 GLN HB2 2.930 . 2.930 1.991 1.764 2.829 . 0 0 "[ . 1 . 2]" 1 455 1 11 THR MG 1 26 GLN H 3.610 . 3.610 1.845 1.635 2.160 . 0 0 "[ . 1 . 2]" 1 456 1 11 THR MG 1 13 ALA H 4.980 . 4.980 3.995 3.833 4.124 . 0 0 "[ . 1 . 2]" 1 457 1 4 LYS QG 1 5 GLY QA 5.500 . 5.500 3.811 2.840 4.805 . 0 0 "[ . 1 . 2]" 1 458 1 7 GLY QA 1 10 CYS QB 5.500 . 5.500 3.293 2.061 4.074 . 0 0 "[ . 1 . 2]" 1 459 1 9 LYS QB 1 30 GLY QA 5.380 . 5.380 3.803 2.373 5.521 0.141 12 0 "[ . 1 . 2]" 1 460 1 38 THR H 1 38 THR MG 3.290 . 3.290 2.110 1.856 2.576 . 0 0 "[ . 1 . 2]" 1 461 1 46 CYS HA 1 51 GLU HA 5.500 . 5.500 4.441 4.238 4.634 . 0 0 "[ . 1 . 2]" 1 462 1 39 CYS QB 1 55 PRO QD . . 3.380 1.965 1.857 2.188 . 0 0 "[ . 1 . 2]" 1 463 1 54 GLY QA 1 55 PRO QD 2.940 . 2.940 2.042 1.957 2.090 . 0 0 "[ . 1 . 2]" 1 464 1 54 GLY H 1 55 PRO QD 5.120 . 5.120 4.153 3.994 4.313 . 0 0 "[ . 1 . 2]" 1 465 1 41 CYS QB 1 53 THR HB 5.100 . 5.100 4.691 4.620 4.742 . 0 0 "[ . 1 . 2]" 1 466 1 42 THR HB 1 53 THR HB 5.500 . 5.500 4.817 4.581 5.151 . 0 0 "[ . 1 . 2]" 1 467 1 43 SER H 1 53 THR HB 4.920 . 4.920 3.907 3.277 4.695 . 0 0 "[ . 1 . 2]" 1 468 1 45 GLY H 1 53 THR HB 5.300 . 5.300 4.291 3.521 4.754 . 0 0 "[ . 1 . 2]" 1 469 1 38 THR HB 1 55 PRO QB 5.500 . 5.500 4.445 3.646 5.015 . 0 0 "[ . 1 . 2]" 1 470 1 32 THR HB 1 33 CYS H 5.500 . 5.500 4.497 4.369 4.660 . 0 0 "[ . 1 . 2]" 1 471 1 43 SER HA 1 53 THR MG 3.900 . 3.900 2.900 2.487 3.521 . 0 0 "[ . 1 . 2]" 1 472 1 43 SER HA 1 44 ASP HA 4.930 . 4.930 4.787 4.639 4.896 . 0 0 "[ . 1 . 2]" 1 473 1 47 LYS HA 1 47 LYS HB3 2.850 . 2.850 2.498 2.400 2.927 0.077 2 0 "[ . 1 . 2]" 1 474 1 60 CYS QB 1 61 GLY QA 5.500 . 5.500 3.693 3.243 3.997 . 0 0 "[ . 1 . 2]" 1 475 1 21 CYS HA 1 25 CYS QB 5.500 . 5.500 3.582 3.248 4.004 . 0 0 "[ . 1 . 2]" 1 476 1 20 GLN QB 1 21 CYS HA 5.150 . 5.150 4.188 4.111 4.306 . 0 0 "[ . 1 . 2]" 1 477 1 20 GLN HA 1 21 CYS HA 4.910 . 4.910 4.681 4.576 4.808 . 0 0 "[ . 1 . 2]" 1 478 1 21 CYS HA 1 25 CYS HA 3.970 . 3.970 3.493 3.150 3.957 . 0 0 "[ . 1 . 2]" 1 479 1 28 GLY QA 1 29 GLU HA 4.630 . 4.630 3.931 3.871 4.007 . 0 0 "[ . 1 . 2]" 1 480 1 29 GLU HA 1 31 CYS QB 5.500 . 5.500 4.391 3.876 5.246 . 0 0 "[ . 1 . 2]" 1 481 1 29 GLU HA 1 31 CYS H 4.510 . 4.510 3.559 2.964 4.428 . 0 0 "[ . 1 . 2]" 1 482 1 66 CYS HA 1 66 CYS QB 2.770 . 2.770 2.179 2.171 2.186 . 0 0 "[ . 1 . 2]" 1 483 1 40 ASN QB 1 66 CYS HA 3.440 . 3.440 2.534 2.087 3.169 . 0 0 "[ . 1 . 2]" 1 484 1 48 CYS QB 1 66 CYS HA 4.690 . 4.690 3.753 3.083 4.344 . 0 0 "[ . 1 . 2]" 1 485 1 40 ASN H 1 66 CYS HA 3.930 . 3.930 3.883 3.646 4.076 0.146 13 0 "[ . 1 . 2]" 1 486 1 41 CYS QB 1 55 PRO QD 5.500 . 5.500 4.197 4.079 4.341 . 0 0 "[ . 1 . 2]" 1 487 1 65 SER H 1 65 SER HB2 3.940 . 3.940 2.608 2.477 3.545 . 0 0 "[ . 1 . 2]" 1 488 1 65 SER HB2 1 66 CYS H 4.650 . 4.650 3.216 2.686 4.166 . 0 0 "[ . 1 . 2]" 1 489 1 18 PRO HB2 1 19 CYS HB2 4.890 . 4.890 4.844 4.483 5.043 0.153 10 0 "[ . 1 . 2]" 1 490 1 18 PRO HB2 1 19 CYS HB3 4.630 . 4.630 4.400 4.179 4.741 0.111 17 0 "[ . 1 . 2]" 1 491 1 47 LYS HB2 1 48 CYS QB 5.500 . 5.500 3.824 3.555 4.131 . 0 0 "[ . 1 . 2]" 1 492 1 47 LYS H 1 48 CYS QB 5.050 . 5.050 3.997 3.755 4.372 . 0 0 "[ . 1 . 2]" 1 493 1 16 SER QB 1 20 GLN HG3 3.910 . 3.910 2.388 2.066 2.594 . 0 0 "[ . 1 . 2]" 1 494 1 16 SER QB 1 20 GLN HE21 5.500 . 5.500 3.694 3.105 4.345 . 0 0 "[ . 1 . 2]" 1 495 1 7 GLY QA 1 10 CYS QB 5.500 . 5.500 3.656 2.066 5.144 . 0 0 "[ . 1 . 2]" 1 496 1 40 ASN H 1 67 LYS HA 4.910 . 4.910 4.294 3.987 4.765 . 0 0 "[ . 1 . 2]" 1 497 1 64 CYS H 1 67 LYS HA 5.500 . 5.500 4.627 4.469 4.803 . 0 0 "[ . 1 . 2]" 1 498 1 66 CYS HA 1 67 LYS HA 4.930 . 4.930 4.502 4.450 4.586 . 0 0 "[ . 1 . 2]" 1 499 1 14 CYS QB 1 15 ARG QB 5.500 . 5.500 4.671 4.535 4.926 . 0 0 "[ . 1 . 2]" 1 500 1 14 CYS QB 1 15 ARG HA 5.410 . 5.410 4.264 4.190 4.346 . 0 0 "[ . 1 . 2]" 1 501 1 41 CYS HA 1 42 THR MG 3.970 . 3.970 3.499 3.311 3.677 . 0 0 "[ . 1 . 2]" 1 502 1 42 THR MG 1 54 GLY QA 5.500 . 5.500 4.265 3.083 5.309 . 0 0 "[ . 1 . 2]" 1 503 1 18 PRO QG 1 19 CYS H 5.410 . 5.410 4.233 3.881 4.419 . 0 0 "[ . 1 . 2]" 1 504 1 52 CYS QB 1 58 CYS HA . . 2.720 2.003 1.782 2.256 . 0 0 "[ . 1 . 2]" 1 505 1 58 CYS HA 1 59 LYS H 2.820 . 2.820 2.163 2.100 2.261 . 0 0 "[ . 1 . 2]" 1 506 1 40 ASN QB 1 48 CYS QB 5.500 . 5.500 4.306 4.175 4.477 . 0 0 "[ . 1 . 2]" 1 507 1 6 LYS HA 1 7 GLY QA 5.500 . 5.500 3.564 3.494 3.727 . 0 0 "[ . 1 . 2]" 1 508 1 39 CYS QB 1 54 GLY HA2 5.500 . 5.500 2.638 2.051 2.989 . 0 0 "[ . 1 . 2]" 1 509 1 54 GLY QA 1 55 PRO HG3 5.450 . 5.450 3.879 3.834 3.950 . 0 0 "[ . 1 . 2]" 1 510 1 5 GLY QA 1 6 LYS HA 4.530 . 4.530 4.021 3.914 4.535 0.005 13 0 "[ . 1 . 2]" 1 511 1 4 LYS QB 1 5 GLY QA 5.340 . 5.340 3.542 3.151 3.879 . 0 0 "[ . 1 . 2]" 1 512 1 6 LYS QG 1 15 ARG HA 5.500 . 5.500 4.422 3.151 5.737 0.237 3 0 "[ . 1 . 2]" 1 513 1 18 PRO QG 1 20 GLN HE21 4.610 . 4.610 3.919 2.663 5.596 0.986 19 1 "[ . 1 . +2]" 1 514 1 18 PRO HB3 1 19 CYS HB2 5.500 . 5.500 4.458 4.178 4.869 . 0 0 "[ . 1 . 2]" 1 515 1 29 GLU QB 1 61 GLY QA 5.500 . 5.500 3.148 2.169 4.492 . 0 0 "[ . 1 . 2]" 1 516 1 33 CYS H 1 34 ALA MB 5.500 . 5.500 4.728 2.815 5.144 . 0 0 "[ . 1 . 2]" 1 517 1 33 CYS HB2 1 37 LYS HB2 5.450 . 5.450 4.733 4.149 5.839 0.389 11 0 "[ . 1 . 2]" 1 518 1 34 ALA HA 1 37 LYS QB 4.910 . 4.910 2.514 1.995 3.448 . 0 0 "[ . 1 . 2]" 1 519 1 35 ALA H 1 37 LYS QB 5.500 . 5.500 4.380 3.888 5.067 . 0 0 "[ . 1 . 2]" 1 520 1 46 CYS QB 1 51 GLU QB 5.500 . 5.500 3.819 3.588 4.241 . 0 0 "[ . 1 . 2]" 1 521 1 48 CYS QB 1 65 SER QB 5.340 . 5.340 2.639 2.033 3.902 . 0 0 "[ . 1 . 2]" 1 522 1 16 SER H 1 17 GLU H 4.800 . 4.800 4.532 4.452 4.630 . 0 0 "[ . 1 . 2]" 1 523 1 18 PRO HB3 1 19 CYS H 3.520 . 3.520 3.118 2.782 3.470 . 0 0 "[ . 1 . 2]" 1 524 1 47 LYS HA 1 48 CYS H 3.450 . 3.450 3.398 3.189 3.548 0.098 2 0 "[ . 1 . 2]" 1 525 1 21 CYS QB 1 25 CYS H 4.210 . 4.210 3.948 3.419 4.267 0.057 6 0 "[ . 1 . 2]" 1 526 1 11 THR MG 1 28 GLY H 4.840 . 4.840 4.734 4.326 4.965 0.125 13 0 "[ . 1 . 2]" 1 527 1 45 GLY H 1 46 CYS H 4.180 . 4.180 3.660 1.939 4.246 0.066 20 0 "[ . 1 . 2]" 1 528 1 48 CYS H 1 50 LYS H 4.030 . 4.030 3.797 3.408 4.035 0.005 1 0 "[ . 1 . 2]" 1 529 1 14 CYS H 1 15 ARG H 3.070 . 3.070 2.504 2.427 2.550 . 0 0 "[ . 1 . 2]" 1 530 1 22 GLY QA 1 25 CYS HB3 5.500 . 5.500 5.422 4.529 6.121 0.621 11 2 "[ - 1+ . 2]" 1 531 1 15 ARG QG 1 16 SER H 5.500 . 5.500 3.962 3.124 4.413 . 0 0 "[ . 1 . 2]" 1 532 1 38 THR HA 1 55 PRO HG2 5.440 . 5.440 3.124 1.920 3.577 . 0 0 "[ . 1 . 2]" 1 533 1 6 LYS QG 1 7 GLY QA 5.500 . 5.500 3.552 2.980 4.443 . 0 0 "[ . 1 . 2]" 1 534 1 52 CYS QB 1 60 CYS H 5.500 . 5.500 4.316 3.781 4.716 . 0 0 "[ . 1 . 2]" 1 535 1 13 ALA HA 1 20 GLN QB 4.750 . 4.750 2.324 2.022 2.614 . 0 0 "[ . 1 . 2]" 1 536 1 32 THR H 1 37 LYS HG3 5.500 . 5.500 3.271 2.622 4.201 . 0 0 "[ . 1 . 2]" 1 537 1 6 LYS QG 1 33 CYS QB 5.500 . 5.500 3.689 2.372 4.006 . 0 0 "[ . 1 . 2]" 1 538 1 59 LYS H 1 60 CYS QB 5.090 . 5.090 4.308 3.988 4.628 . 0 0 "[ . 1 . 2]" 1 539 1 28 GLY QA 1 29 GLU HB2 5.410 . 5.410 4.668 4.486 4.753 . 0 0 "[ . 1 . 2]" 1 540 1 52 CYS HA 1 53 THR H 2.760 . 2.760 2.266 2.185 2.329 . 0 0 "[ . 1 . 2]" 1 541 1 32 THR HA 1 37 LYS HG2 4.970 . 4.970 3.768 3.120 4.222 . 0 0 "[ . 1 . 2]" 1 542 1 14 CYS HA 1 21 CYS HA 5.500 . 5.500 4.638 4.270 4.859 . 0 0 "[ . 1 . 2]" 1 543 1 11 THR MG 1 14 CYS QB . . 4.680 3.660 3.459 4.108 . 0 0 "[ . 1 . 2]" 1 544 1 38 THR MG 1 67 LYS HA 4.370 . 4.370 3.335 2.716 4.497 0.127 8 0 "[ . 1 . 2]" 1 545 1 8 GLU HA 1 8 GLU QB 2.670 . 2.670 2.366 2.164 2.467 . 0 0 "[ . 1 . 2]" 1 546 1 12 SER QB 1 15 ARG H 5.330 . 5.330 4.759 4.566 5.070 . 0 0 "[ . 1 . 2]" 1 547 1 16 SER QB 1 17 GLU H 3.330 . 3.330 2.875 2.330 3.544 0.214 17 0 "[ . 1 . 2]" 1 548 1 6 LYS HA 1 7 GLY H 3.420 . 3.420 2.481 2.099 3.550 0.130 13 0 "[ . 1 . 2]" 1 549 1 7 GLY H 1 31 CYS HA 5.500 . 5.500 4.017 2.962 5.041 . 0 0 "[ . 1 . 2]" 1 550 1 38 THR MG 1 39 CYS QB 5.500 . 5.500 4.098 3.608 4.318 . 0 0 "[ . 1 . 2]" 1 551 1 54 GLY H 1 57 SER H 5.500 . 5.500 4.589 4.035 4.951 . 0 0 "[ . 1 . 2]" 1 stop_ save_ save_distance_constraint_statistics_2 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 2 _Distance_constraint_stats_list.Constraint_count 54 _Distance_constraint_stats_list.Viol_count 224 _Distance_constraint_stats_list.Viol_total 1936.543 _Distance_constraint_stats_list.Viol_max 1.688 _Distance_constraint_stats_list.Viol_rms 0.2386 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0897 _Distance_constraint_stats_list.Viol_average_violations_only 0.4323 _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 4 LYS 1.744 0.622 11 3 "[ . -1+ . *]" 1 5 GLY 7.864 1.165 20 8 "[ * . *- ** ** +]" 1 6 LYS 7.864 1.165 20 8 "[ * . *- ** ** +]" 1 8 GLU 1.843 0.661 13 2 "[ . 1 + . -2]" 1 9 LYS 6.445 1.135 1 3 "[+ . 1 * . -2]" 1 11 THR 1.964 0.149 17 0 "[ . 1 . 2]" 1 12 SER 1.964 0.149 17 0 "[ . 1 . 2]" 1 13 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 14 CYS 1.828 0.382 20 0 "[ . 1 . 2]" 1 16 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 20 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 21 CYS 5.090 0.604 10 2 "[ . + - 2]" 1 23 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 24 LYS 3.262 0.604 10 2 "[ . + - 2]" 1 25 CYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 26 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 28 GLY 9.543 1.688 11 8 "[** . * 1+ ***- 2]" 1 30 GLY 0.013 0.013 1 0 "[ . 1 . 2]" 1 31 CYS 15.461 1.688 11 9 "[** . * 1+ ****-2]" 1 32 THR 16.129 1.516 7 9 "[* *** +* 1 * *- 2]" 1 33 CYS 1.303 1.003 11 1 "[ . 1+ . 2]" 1 34 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 35 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 36 CYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 37 LYS 27.908 1.516 7 14 "[******+* * * *- * *]" 1 38 THR 1.118 0.629 13 1 "[ . 1 + . 2]" 1 39 CYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 40 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 1 42 THR 6.072 0.579 6 2 "[ .+ 1 . -]" 1 43 SER 4.846 0.501 20 1 "[ . 1 . +]" 1 44 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 46 CYS 0.400 0.212 11 0 "[ . 1 . 2]" 1 47 LYS 12.162 0.831 10 9 "[ *. **+- .****2]" 1 48 CYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 49 GLY 9.391 0.831 10 9 "[ *. **+- .****2]" 1 51 GLU 0.400 0.212 11 0 "[ . 1 . 2]" 1 52 CYS 11.152 1.019 1 11 "[+** *** *** .- * 2]" 1 53 THR 1.226 0.579 6 1 "[ .+ 1 . 2]" 1 54 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 55 PRO 15.827 1.434 8 13 "[** ****+ - ** ** *]" 1 56 ASP 4.048 1.024 2 4 "[ + .* 1 *. - 2]" 1 58 CYS 11.152 1.019 1 11 "[+** *** *** .- * 2]" 1 62 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 64 CYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 65 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 66 CYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 67 LYS 0.000 0.000 . 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 53 THR HB 1 54 GLY H . . 5.330 4.280 4.109 4.399 . 0 0 "[ . 1 . 2]" 2 2 1 44 ASP H 1 53 THR HB . . 5.500 4.646 3.960 5.145 . 0 0 "[ . 1 . 2]" 2 3 1 21 CYS HA 1 24 LYS H . . 4.850 3.243 2.578 4.013 . 0 0 "[ . 1 . 2]" 2 4 1 46 CYS H 1 51 GLU HA . . 5.500 4.847 4.215 5.712 0.212 11 0 "[ . 1 . 2]" 2 5 1 31 CYS H 1 33 CYS H . . 5.500 5.421 5.061 6.503 1.003 11 1 "[ . 1+ . 2]" 2 6 1 11 THR H 1 26 GLN H . . 5.500 4.653 4.250 5.127 . 0 0 "[ . 1 . 2]" 2 7 1 28 GLY H 1 31 CYS HA . . 5.500 5.929 5.003 7.188 1.688 11 8 "[** . * 1+ ***- 2]" 2 8 1 16 SER H 1 20 GLN H . . 4.960 4.033 3.815 4.348 . 0 0 "[ . 1 . 2]" 2 9 1 9 LYS QB 1 31 CYS H . . 5.500 4.825 3.897 6.004 0.504 1 1 "[+ . 1 . 2]" 2 10 1 20 GLN QB 1 21 CYS H . . 4.990 3.647 3.533 3.764 . 0 0 "[ . 1 . 2]" 2 11 1 21 CYS H 1 24 LYS H . . 5.500 5.546 5.058 6.104 0.604 10 2 "[ . + - 2]" 2 12 1 14 CYS H 1 21 CYS H . . 5.500 5.050 4.749 5.448 . 0 0 "[ . 1 . 2]" 2 13 1 34 ALA H 1 36 CYS H . . 5.500 4.569 4.241 4.901 . 0 0 "[ . 1 . 2]" 2 14 1 35 ALA MB 1 37 LYS H . . 4.920 4.307 4.060 4.664 . 0 0 "[ . 1 . 2]" 2 15 1 55 PRO QB 1 56 ASP H . . 4.840 2.973 2.172 3.501 . 0 0 "[ . 1 . 2]" 2 16 1 65 SER HB3 1 66 CYS H . . 4.650 3.808 2.858 4.172 . 0 0 "[ . 1 . 2]" 2 17 1 55 PRO QB 1 58 CYS H . . 5.500 4.767 4.614 5.104 . 0 0 "[ . 1 . 2]" 2 18 1 47 LYS HB2 1 49 GLY H . . 4.910 5.379 4.889 5.741 0.831 10 9 "[ *. **+- .****2]" 2 19 1 42 THR H 1 46 CYS HA . . 4.680 4.165 3.601 4.434 . 0 0 "[ . 1 . 2]" 2 20 1 65 SER H 1 65 SER HB3 . . 3.940 3.310 2.470 3.598 . 0 0 "[ . 1 . 2]" 2 21 1 47 LYS H 1 47 LYS HD3 . . 5.500 4.867 3.729 5.481 . 0 0 "[ . 1 . 2]" 2 22 1 4 LYS HA 1 4 LYS HD3 . . 5.500 4.310 2.014 4.868 . 0 0 "[ . 1 . 2]" 2 23 1 42 THR HA 1 53 THR HB . . 5.140 4.128 3.497 4.793 . 0 0 "[ . 1 . 2]" 2 24 1 42 THR HB 1 43 SER HB3 . . 5.060 5.138 4.073 5.561 0.501 20 1 "[ . 1 . +]" 2 25 1 9 LYS QB 1 31 CYS HA . . 5.500 5.367 4.331 6.635 1.135 1 2 "[+ . 1 . -2]" 2 26 1 52 CYS QB 1 53 THR HA . . 5.270 4.246 4.138 4.446 . 0 0 "[ . 1 . 2]" 2 27 1 23 SER HA 1 24 LYS QB . . 5.500 5.008 4.505 5.456 . 0 0 "[ . 1 . 2]" 2 28 1 52 CYS H 1 58 CYS QB . . 5.500 6.058 5.642 6.519 1.019 1 11 "[+** *** *** .- * 2]" 2 29 1 12 SER HB3 1 13 ALA MB . . 5.500 5.122 5.028 5.213 . 0 0 "[ . 1 . 2]" 2 30 1 39 CYS HA 1 40 ASN QB . . 5.500 4.249 4.161 4.393 . 0 0 "[ . 1 . 2]" 2 31 1 31 CYS QB 1 32 THR H . . 5.300 3.635 3.387 3.879 . 0 0 "[ . 1 . 2]" 2 32 1 4 LYS HA 1 4 LYS HE3 . . 5.500 4.939 4.162 6.122 0.622 11 3 "[ . -1+ . *]" 2 33 1 55 PRO QG 1 56 ASP HA . . 4.640 4.705 4.299 5.664 1.024 2 4 "[ + .* 1 *. - 2]" 2 34 1 12 SER HA 1 14 CYS H . . 5.500 4.322 4.109 4.456 . 0 0 "[ . 1 . 2]" 2 35 1 25 CYS HA 1 26 GLN HA . . 5.240 4.418 4.351 4.480 . 0 0 "[ . 1 . 2]" 2 36 1 62 SER HA 1 64 CYS QB . . 5.370 4.484 3.765 4.906 . 0 0 "[ . 1 . 2]" 2 37 1 33 CYS HA 1 34 ALA MB . . 4.840 3.971 3.869 4.018 . 0 0 "[ . 1 . 2]" 2 38 1 11 THR MG 1 12 SER HA . . 5.500 5.598 5.542 5.649 0.149 17 0 "[ . 1 . 2]" 2 39 1 38 THR H 1 38 THR MG . . 3.290 2.303 2.002 3.919 0.629 13 1 "[ . 1 + . 2]" 2 40 1 46 CYS HA 1 51 GLU HA . . 5.500 4.921 4.570 5.309 . 0 0 "[ . 1 . 2]" 2 41 1 42 THR HB 1 53 THR HB . . 5.500 5.392 4.882 6.079 0.579 6 1 "[ .+ 1 . 2]" 2 42 1 47 LYS HA 1 47 LYS HD3 . . 4.410 3.964 2.029 4.872 0.462 11 0 "[ . 1 . 2]" 2 43 1 66 CYS H 1 67 LYS HA . . 5.500 5.034 4.857 5.154 . 0 0 "[ . 1 . 2]" 2 44 1 47 LYS HB2 1 48 CYS QB . . 5.500 4.214 3.805 4.972 . 0 0 "[ . 1 . 2]" 2 45 1 5 GLY QA 1 6 LYS QE . . 5.500 5.607 3.330 6.665 1.165 20 8 "[ * . *- ** ** +]" 2 46 1 32 THR HA 1 37 LYS QB . . 5.500 4.394 2.709 5.399 . 0 0 "[ . 1 . 2]" 2 47 1 32 THR HA 1 37 LYS QE . . 4.560 4.285 1.984 6.076 1.516 7 6 "[* * * + 1 * - 2]" 2 48 1 37 LYS QD 1 55 PRO QG . . 5.230 5.705 3.617 6.664 1.434 8 12 "[** ****+ - ** * *]" 2 49 1 46 CYS QB 1 51 GLU QG . . 5.500 3.948 3.542 4.685 . 0 0 "[ . 1 . 2]" 2 50 1 12 SER HB3 1 13 ALA H . . 5.210 4.081 3.924 4.246 . 0 0 "[ . 1 . 2]" 2 51 1 8 GLU HA 1 9 LYS QG . . 5.500 5.109 4.318 6.161 0.661 13 2 "[ . 1 + . -2]" 2 52 1 32 THR HA 1 37 LYS QG . . 4.970 5.000 3.126 6.412 1.442 14 8 "[ *** *- 1 * +* 2]" 2 53 1 14 CYS HA 1 21 CYS HA . . 5.500 5.566 5.312 5.882 0.382 20 0 "[ . 1 . 2]" 2 54 1 30 GLY H 1 31 CYS HA . . 5.500 5.037 4.495 5.513 0.013 1 0 "[ . 1 . 2]" 2 stop_ save_
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