NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
641406 |
6j3l   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6j3l
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 813
_Distance_constraint_stats_list.Viol_count 824
_Distance_constraint_stats_list.Viol_total 564.866
_Distance_constraint_stats_list.Viol_max 0.517
_Distance_constraint_stats_list.Viol_rms 0.0286
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0069
_Distance_constraint_stats_list.Viol_average_violations_only 0.0686
_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 5 ASN 0.000 0.000 . 0 "[ . 1]"
1 6 LYS 0.066 0.066 9 0 "[ . 1]"
1 7 VAL 1.538 0.517 3 3 "[* + - 1]"
1 8 GLN 0.717 0.082 7 0 "[ . 1]"
1 9 ALA 1.654 0.146 6 0 "[ . 1]"
1 10 PRO 0.172 0.082 7 0 "[ . 1]"
1 11 ALA 2.495 0.174 10 0 "[ . 1]"
1 12 ARG 2.551 0.174 10 0 "[ . 1]"
1 13 PRO 1.795 0.135 2 0 "[ . 1]"
1 14 GLY 0.168 0.083 2 0 "[ . 1]"
1 15 ALA 0.095 0.056 8 0 "[ . 1]"
1 16 ILE 0.577 0.101 5 0 "[ . 1]"
1 17 ALA 0.214 0.072 1 0 "[ . 1]"
1 18 PRO 2.209 0.255 7 0 "[ . 1]"
1 19 LEU 0.161 0.070 3 0 "[ . 1]"
1 20 SER 1.601 0.300 8 0 "[ . 1]"
1 21 VAL 4.108 0.300 8 0 "[ . 1]"
1 22 VAL 0.200 0.043 7 0 "[ . 1]"
1 23 ILE 3.271 0.175 2 0 "[ . 1]"
1 24 PRO 1.136 0.103 2 0 "[ . 1]"
1 25 ALA 1.422 0.103 2 0 "[ . 1]"
1 26 HIS 1.396 0.242 5 0 "[ . 1]"
1 27 ASN 0.889 0.113 8 0 "[ . 1]"
1 28 THR 0.506 0.106 2 0 "[ . 1]"
1 29 GLY 0.033 0.033 8 0 "[ . 1]"
1 30 LEU 1.245 0.161 3 0 "[ . 1]"
1 31 GLY 0.054 0.023 2 0 "[ . 1]"
1 32 PRO 3.483 0.229 1 0 "[ . 1]"
1 33 GLU 1.742 0.229 1 0 "[ . 1]"
1 34 LYS 1.897 0.168 8 0 "[ . 1]"
1 35 THR 3.662 0.229 1 0 "[ . 1]"
1 36 SER 0.000 0.000 . 0 "[ . 1]"
1 37 PHE 0.860 0.103 7 0 "[ . 1]"
1 38 PHE 4.837 0.194 1 0 "[ . 1]"
1 39 GLN 0.576 0.061 5 0 "[ . 1]"
1 40 ALA 0.116 0.035 8 0 "[ . 1]"
1 41 LEU 2.320 0.313 8 0 "[ . 1]"
1 42 SER 0.000 0.000 . 0 "[ . 1]"
1 43 ILE 2.284 0.156 3 0 "[ . 1]"
1 44 PRO 3.593 0.247 7 0 "[ . 1]"
1 45 THR 0.676 0.103 2 0 "[ . 1]"
1 46 LYS 1.905 0.184 3 0 "[ . 1]"
1 47 ILE 0.874 0.113 8 0 "[ . 1]"
1 48 SER 0.000 0.000 . 0 "[ . 1]"
1 49 LYS 0.287 0.146 6 0 "[ . 1]"
1 50 GLY 0.671 0.120 4 0 "[ . 1]"
1 51 THR 0.175 0.049 8 0 "[ . 1]"
1 52 ILE 2.544 0.128 7 0 "[ . 1]"
1 53 GLU 2.718 0.242 5 0 "[ . 1]"
1 54 ILE 2.793 0.172 4 0 "[ . 1]"
1 55 ILE 5.170 0.247 7 0 "[ . 1]"
1 56 ASN 0.602 0.083 1 0 "[ . 1]"
1 57 ASP 0.151 0.043 7 0 "[ . 1]"
1 58 VAL 1.282 0.083 1 0 "[ . 1]"
1 59 HIS 0.923 0.095 3 0 "[ . 1]"
1 60 ILE 1.386 0.156 3 0 "[ . 1]"
1 61 LEU 3.147 0.201 4 0 "[ . 1]"
1 62 LYS 0.722 0.095 3 0 "[ . 1]"
1 63 PRO 1.333 0.138 10 0 "[ . 1]"
1 64 GLY 0.000 0.000 . 0 "[ . 1]"
1 65 ASP 0.444 0.095 7 0 "[ . 1]"
1 66 LYS 1.169 0.155 8 0 "[ . 1]"
1 67 VAL 3.918 0.255 7 0 "[ . 1]"
1 68 GLY 0.000 0.000 . 0 "[ . 1]"
1 69 ALA 0.716 0.131 10 0 "[ . 1]"
1 70 SER 0.000 0.000 . 0 "[ . 1]"
1 71 GLU 2.305 0.274 8 0 "[ . 1]"
1 72 ALA 3.708 0.155 8 0 "[ . 1]"
1 73 THR 1.003 0.110 8 0 "[ . 1]"
1 74 LEU 2.452 0.235 10 0 "[ . 1]"
1 75 LEU 2.433 0.201 4 0 "[ . 1]"
1 76 ASN 0.159 0.045 1 0 "[ . 1]"
1 77 MET 2.378 0.235 10 0 "[ . 1]"
1 78 LEU 1.954 0.161 3 0 "[ . 1]"
1 79 ASN 0.000 0.000 . 0 "[ . 1]"
1 80 ILE 1.524 0.131 8 0 "[ . 1]"
1 81 SER 0.000 0.000 . 0 "[ . 1]"
1 82 PRO 0.737 0.072 8 0 "[ . 1]"
1 83 PHE 2.292 0.330 2 0 "[ . 1]"
1 84 SER 2.331 0.330 2 0 "[ . 1]"
1 85 TYR 1.719 0.330 2 0 "[ . 1]"
1 86 GLY 0.000 0.000 . 0 "[ . 1]"
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 5 ASN H 1 5 ASN QB 2.709 . 3.626 2.814 2.554 3.299 . 0 0 "[ . 1]" 1
2 1 6 LYS H 1 6 LYS QG 2.348 . 3.037 2.586 2.105 3.103 0.066 9 0 "[ . 1]" 1
3 1 8 GLN H 1 8 GLN QB 2.971 . 4.075 2.452 2.217 2.992 . 0 0 "[ . 1]" 1
4 1 7 VAL QG 1 8 GLN H 3.289 . 4.641 2.798 2.059 3.707 . 0 0 "[ . 1]" 1
5 1 9 ALA H 1 9 ALA MB 2.794 . 3.770 2.230 2.199 2.340 . 0 0 "[ . 1]" 1
6 1 8 GLN QB 1 9 ALA H 3.375 . 4.799 3.896 3.582 4.016 . 0 0 "[ . 1]" 1
7 1 8 GLN QE 1 11 ALA H 3.331 . 4.718 3.660 2.862 4.556 . 0 0 "[ . 1]" 1
8 1 10 PRO QG 1 11 ALA H 3.175 . 4.435 4.233 4.133 4.276 . 0 0 "[ . 1]" 1
9 1 11 ALA H 1 11 ALA MB 2.799 . 3.244 2.248 2.221 2.269 . 0 0 "[ . 1]" 1
10 1 8 GLN QG 1 11 ALA H 3.494 . 5.020 3.836 3.719 4.004 . 0 0 "[ . 1]" 1
11 1 10 PRO QD 1 11 ALA H 3.473 . 4.980 4.614 4.390 4.780 . 0 0 "[ . 1]" 1
12 1 11 ALA MB 1 12 ARG H 2.826 . 3.824 3.096 2.971 3.170 . 0 0 "[ . 1]" 1
13 1 12 ARG H 1 13 PRO QD 3.500 . 5.031 4.162 4.142 4.203 . 0 0 "[ . 1]" 1
14 1 14 GLY H 1 14 GLY QA 3.364 . 4.118 2.360 2.330 2.395 . 0 0 "[ . 1]" 1
15 1 14 GLY H 1 66 LYS QG 3.460 . 4.956 3.008 2.703 3.217 . 0 0 "[ . 1]" 1
16 1 15 ALA H 1 15 ALA MB 2.565 . 2.972 2.257 2.234 2.301 . 0 0 "[ . 1]" 1
17 1 15 ALA H 1 67 VAL QG 3.370 . 4.789 3.787 3.600 3.971 . 0 0 "[ . 1]" 1
18 1 14 GLY QA 1 15 ALA H 3.308 . 4.676 2.835 2.778 2.897 . 0 0 "[ . 1]" 1
19 1 16 ILE H 1 67 VAL MG2 3.402 . 4.849 4.562 4.442 4.670 . 0 0 "[ . 1]" 1
20 1 17 ALA H 1 17 ALA MB 2.720 . 2.989 2.230 2.204 2.275 . 0 0 "[ . 1]" 1
21 1 16 ILE MG 1 17 ALA H 3.002 . 4.129 2.531 2.324 2.652 . 0 0 "[ . 1]" 1
22 1 18 PRO QG 1 19 LEU H 3.363 . 4.776 3.558 3.432 3.669 . 0 0 "[ . 1]" 1
23 1 17 ALA MB 1 19 LEU H 2.951 . 4.039 2.830 2.581 3.370 . 0 0 "[ . 1]" 1
24 1 19 LEU H 1 63 PRO QD 3.499 . 5.029 4.698 4.248 4.958 . 0 0 "[ . 1]" 1
25 1 19 LEU QD 1 20 SER H 2.977 . 4.085 3.214 3.173 3.260 . 0 0 "[ . 1]" 1
26 1 19 LEU QB 1 20 SER H 2.498 . 3.278 2.432 2.280 2.501 . 0 0 "[ . 1]" 1
27 1 20 SER H 1 63 PRO QG 3.015 . 4.151 3.568 2.985 4.061 . 0 0 "[ . 1]" 1
28 1 20 SER H 1 63 PRO QD 3.444 . 4.926 3.142 2.828 3.376 . 0 0 "[ . 1]" 1
29 1 20 SER H 1 20 SER QB 2.297 . 2.957 2.497 2.282 2.851 . 0 0 "[ . 1]" 1
30 1 19 LEU HA 1 20 SER H 2.194 . 2.796 2.247 2.218 2.299 . 0 0 "[ . 1]" 1
31 1 21 VAL H 1 63 PRO QD 2.834 . 3.838 3.946 3.843 3.976 0.138 10 0 "[ . 1]" 1
32 1 21 VAL H 1 61 LEU QB 3.198 . 4.130 2.202 2.029 2.327 . 0 0 "[ . 1]" 1
33 1 21 VAL H 1 21 VAL MG2 2.736 . 3.412 2.007 1.927 2.103 . 0 0 "[ . 1]" 1
34 1 21 VAL MG1 1 22 VAL H 2.680 . 3.338 2.480 2.428 2.566 . 0 0 "[ . 1]" 1
35 1 22 VAL MG1 1 23 ILE H 2.768 . 3.210 2.760 2.656 2.872 . 0 0 "[ . 1]" 1
36 1 25 ALA H 1 25 ALA MB 2.250 . 2.696 2.195 2.171 2.233 . 0 0 "[ . 1]" 1
37 1 24 PRO QB 1 25 ALA H 2.802 . 3.783 3.031 2.956 3.115 . 0 0 "[ . 1]" 1
38 1 22 VAL MG1 1 25 ALA H 3.403 . 4.851 4.359 4.204 4.529 . 0 0 "[ . 1]" 1
39 1 26 HIS H 1 53 GLU QG 2.391 . 3.105 3.233 3.181 3.347 0.242 5 0 "[ . 1]" 1
40 1 26 HIS H 1 26 HIS QB 3.441 . 4.921 3.054 2.745 3.418 . 0 0 "[ . 1]" 1
41 1 28 THR H 1 53 GLU QB 3.143 . 4.378 4.279 4.102 4.414 0.036 3 0 "[ . 1]" 1
42 1 28 THR H 1 28 THR MG 2.590 . 3.428 2.552 2.318 2.669 . 0 0 "[ . 1]" 1
43 1 28 THR H 1 52 ILE MD 3.458 . 4.953 4.274 3.880 4.979 0.026 8 0 "[ . 1]" 1
44 1 28 THR H 1 29 GLY QA 3.701 . 5.413 4.197 3.917 4.350 . 0 0 "[ . 1]" 1
45 1 29 GLY H 1 51 THR MG 3.776 . 5.559 3.986 3.509 4.239 . 0 0 "[ . 1]" 1
46 1 29 GLY QA 1 30 LEU H 3.358 . 4.177 2.877 2.830 2.895 . 0 0 "[ . 1]" 1
47 1 30 LEU H 1 30 LEU QB 2.963 . 3.728 2.411 2.340 2.503 . 0 0 "[ . 1]" 1
48 1 31 GLY H 1 31 GLY QA 2.354 . 3.046 2.208 2.196 2.222 . 0 0 "[ . 1]" 1
49 1 30 LEU MD2 1 31 GLY H 2.752 . 3.482 3.420 3.220 3.497 0.015 2 0 "[ . 1]" 1
50 1 30 LEU QB 1 31 GLY H 2.871 . 3.901 2.665 2.580 2.769 . 0 0 "[ . 1]" 1
51 1 31 GLY H 1 34 LYS QB 3.716 . 5.442 4.338 4.142 4.527 . 0 0 "[ . 1]" 1
52 1 31 GLY H 1 34 LYS QE 3.627 . 5.272 4.226 3.618 5.295 0.023 2 0 "[ . 1]" 1
53 1 31 GLY H 1 34 LYS QG 2.918 . 3.983 2.976 2.867 3.116 . 0 0 "[ . 1]" 1
54 1 33 GLU H 1 33 GLU QB 2.915 . 3.977 2.392 2.199 2.586 . 0 0 "[ . 1]" 1
55 1 32 PRO QD 1 33 GLU H 3.615 . 5.249 2.737 2.536 3.095 . 0 0 "[ . 1]" 1
56 1 35 THR H 1 52 ILE MG 2.695 . 3.603 3.466 3.380 3.561 . 0 0 "[ . 1]" 1
57 1 35 THR H 1 35 THR MG 2.804 . 3.787 2.282 2.115 2.430 . 0 0 "[ . 1]" 1
58 1 34 LYS QG 1 35 THR H 3.372 . 4.793 4.306 4.146 4.394 . 0 0 "[ . 1]" 1
59 1 32 PRO HB2 1 35 THR H 3.008 . 4.139 4.304 4.258 4.368 0.229 1 0 "[ . 1]" 1
60 1 36 SER QB 1 37 PHE H 3.032 . 4.181 2.737 2.511 3.388 . 0 0 "[ . 1]" 1
61 1 37 PHE H 1 37 PHE QB 2.518 . 3.311 2.371 2.297 2.424 . 0 0 "[ . 1]" 1
62 1 37 PHE H 1 40 ALA MB 3.336 . 4.727 4.290 4.233 4.324 . 0 0 "[ . 1]" 1
63 1 37 PHE H 1 38 PHE QB 3.502 . 5.035 4.463 4.413 4.527 . 0 0 "[ . 1]" 1
64 1 34 LYS QB 1 37 PHE H 3.568 . 5.160 4.182 4.071 4.282 . 0 0 "[ . 1]" 1
65 1 34 LYS QB 1 38 PHE H 3.326 . 4.709 4.181 4.125 4.220 . 0 0 "[ . 1]" 1
66 1 38 PHE H 1 45 THR MG 3.266 . 4.600 4.340 4.227 4.508 . 0 0 "[ . 1]" 1
67 1 39 GLN H 1 39 GLN QG 2.502 . 3.284 2.465 2.372 2.639 . 0 0 "[ . 1]" 1
68 1 38 PHE QB 1 39 GLN H 2.763 . 3.717 2.415 2.369 2.474 . 0 0 "[ . 1]" 1
69 1 39 GLN H 1 40 ALA MB 3.100 . 4.302 4.300 4.255 4.311 0.009 9 0 "[ . 1]" 1
70 1 35 THR MG 1 39 GLN H 3.262 . 4.592 4.286 4.124 4.417 . 0 0 "[ . 1]" 1
71 1 39 GLN H 1 45 THR MG 3.492 . 5.016 3.802 3.545 3.941 . 0 0 "[ . 1]" 1
72 1 37 PHE H 1 39 GLN H 2.924 . 3.992 3.663 3.627 3.697 . 0 0 "[ . 1]" 1
73 1 37 PHE HA 1 40 ALA H 2.300 . 2.961 2.639 2.621 2.658 . 0 0 "[ . 1]" 1
74 1 39 GLN QG 1 40 ALA H 3.123 . 4.342 4.292 4.256 4.343 0.001 4 0 "[ . 1]" 1
75 1 40 ALA H 1 40 ALA MB 2.136 . 2.707 2.254 2.244 2.265 . 0 0 "[ . 1]" 1
76 1 37 PHE HA 1 41 LEU H 2.661 . 3.546 3.352 3.321 3.383 . 0 0 "[ . 1]" 1
77 1 41 LEU H 1 41 LEU QB 2.714 . 3.635 2.310 2.288 2.372 . 0 0 "[ . 1]" 1
78 1 40 ALA MB 1 41 LEU H 2.241 . 2.869 2.158 2.116 2.214 . 0 0 "[ . 1]" 1
79 1 41 LEU H 1 41 LEU MD2 2.778 . 3.743 2.420 2.313 2.506 . 0 0 "[ . 1]" 1
80 1 37 PHE QB 1 41 LEU H 3.765 . 5.537 4.813 4.750 4.864 . 0 0 "[ . 1]" 1
81 1 41 LEU QB 1 42 SER H 3.163 . 4.414 3.707 3.647 3.778 . 0 0 "[ . 1]" 1
82 1 40 ALA MB 1 42 SER H 2.889 . 3.932 3.468 3.428 3.511 . 0 0 "[ . 1]" 1
83 1 41 LEU MD2 1 42 SER H 3.224 . 4.417 4.319 4.293 4.352 . 0 0 "[ . 1]" 1
84 1 38 PHE QB 1 43 ILE H 3.328 . 4.713 4.023 3.928 4.088 . 0 0 "[ . 1]" 1
85 1 43 ILE H 1 43 ILE QG 2.635 . 3.503 2.674 2.552 2.814 . 0 0 "[ . 1]" 1
86 1 43 ILE H 1 43 ILE MD 2.643 . 3.516 3.454 3.426 3.479 . 0 0 "[ . 1]" 1
87 1 41 LEU QB 1 43 ILE H 3.075 . 4.257 4.130 3.922 4.284 0.027 8 0 "[ . 1]" 1
88 1 45 THR H 1 45 THR MG 2.698 . 3.608 2.951 2.859 3.089 . 0 0 "[ . 1]" 1
89 1 44 PRO QB 1 45 THR H 3.038 . 3.900 3.522 3.424 3.604 . 0 0 "[ . 1]" 1
90 1 46 LYS H 1 46 LYS QB 2.909 . 3.967 2.986 2.629 3.244 . 0 0 "[ . 1]" 1
91 1 46 LYS H 1 52 ILE MD 3.145 . 3.608 3.409 3.034 3.633 0.025 10 0 "[ . 1]" 1
92 1 45 THR MG 1 46 LYS H 2.747 . 3.690 3.620 3.485 3.718 0.028 10 0 "[ . 1]" 1
93 1 46 LYS H 1 46 LYS QG 2.761 . 3.714 3.005 2.512 3.787 0.073 6 0 "[ . 1]" 1
94 1 46 LYS H 1 46 LYS QE 3.647 . 5.310 4.715 4.469 5.095 . 0 0 "[ . 1]" 1
95 1 46 LYS QB 1 47 ILE H 2.355 . 3.048 2.787 2.489 3.054 0.006 6 0 "[ . 1]" 1
96 1 46 LYS QG 1 47 ILE H 3.158 . 4.405 3.688 3.377 3.979 . 0 0 "[ . 1]" 1
97 1 47 ILE H 1 47 ILE QG 2.551 . 3.365 2.312 2.199 2.468 . 0 0 "[ . 1]" 1
98 1 47 ILE H 1 47 ILE MG 2.993 . 4.113 3.804 3.780 3.838 . 0 0 "[ . 1]" 1
99 1 47 ILE H 1 47 ILE MD 3.067 . 4.243 3.245 3.157 3.355 . 0 0 "[ . 1]" 1
100 1 48 SER H 1 48 SER QB 2.860 . 3.883 2.431 2.250 2.711 . 0 0 "[ . 1]" 1
101 1 47 ILE MG 1 48 SER H 2.766 . 3.723 2.867 2.576 3.172 . 0 0 "[ . 1]" 1
102 1 50 GLY H 1 50 GLY QA 2.613 . 3.293 2.287 2.210 2.417 . 0 0 "[ . 1]" 1
103 1 49 LYS QB 1 50 GLY H 3.297 . 4.656 3.158 1.958 4.035 . 0 0 "[ . 1]" 1
104 1 47 ILE MG 1 50 GLY H 2.756 . 3.705 2.911 2.132 3.678 . 0 0 "[ . 1]" 1
105 1 49 LYS QG 1 50 GLY H 3.422 . 4.800 3.781 2.768 4.518 . 0 0 "[ . 1]" 1
106 1 50 GLY QA 1 51 THR H 2.904 . 3.958 2.878 2.832 2.911 . 0 0 "[ . 1]" 1
107 1 32 PRO QG 1 51 THR H 3.193 . 4.467 3.402 3.238 3.726 . 0 0 "[ . 1]" 1
108 1 51 THR H 1 51 THR MG 2.667 . 3.556 3.130 3.031 3.225 . 0 0 "[ . 1]" 1
109 1 48 SER H 1 51 THR H 2.864 . 3.889 2.437 2.318 2.969 . 0 0 "[ . 1]" 1
110 1 49 LYS QG 1 51 THR H 3.480 . 4.994 4.468 3.148 4.996 0.002 9 0 "[ . 1]" 1
111 1 51 THR MG 1 52 ILE H 3.152 . 4.394 3.590 3.397 3.723 . 0 0 "[ . 1]" 1
112 1 52 ILE H 1 52 ILE QG 2.966 . 4.066 4.112 4.101 4.129 0.063 6 0 "[ . 1]" 1
113 1 52 ILE H 1 52 ILE MD 3.485 . 5.003 4.126 4.075 4.163 . 0 0 "[ . 1]" 1
114 1 30 LEU QB 1 52 ILE H 3.395 . 4.836 3.723 3.659 3.821 . 0 0 "[ . 1]" 1
115 1 53 GLU H 1 53 GLU QB 2.874 . 3.907 2.451 2.401 2.509 . 0 0 "[ . 1]" 1
116 1 52 ILE QG 1 53 GLU H 3.058 . 4.227 2.829 2.671 3.045 . 0 0 "[ . 1]" 1
117 1 52 ILE MD 1 53 GLU H 3.012 . 3.663 2.642 2.360 2.833 . 0 0 "[ . 1]" 1
118 1 53 GLU QB 1 54 ILE H 2.493 . 3.270 3.401 3.341 3.442 0.172 4 0 "[ . 1]" 1
119 1 54 ILE H 1 54 ILE MD 2.748 . 3.692 3.038 2.233 3.419 . 0 0 "[ . 1]" 1
120 1 54 ILE H 1 54 ILE QG 3.099 . 4.299 2.698 2.238 3.705 . 0 0 "[ . 1]" 1
121 1 55 ILE H 1 55 ILE QG 2.698 . 3.232 1.967 1.889 2.032 . 0 0 "[ . 1]" 1
122 1 54 ILE MG 1 55 ILE H 2.664 . 3.551 2.529 2.396 2.627 . 0 0 "[ . 1]" 1
123 1 56 ASN H 1 56 ASN QB 2.934 . 3.768 2.527 2.491 2.563 . 0 0 "[ . 1]" 1
124 1 54 ILE MG 1 56 ASN H 2.453 . 3.069 2.465 2.337 2.618 . 0 0 "[ . 1]" 1
125 1 55 ILE QG 1 56 ASN H 2.811 . 3.799 2.158 2.079 2.219 . 0 0 "[ . 1]" 1
126 1 22 VAL MG1 1 58 VAL H 2.966 . 4.066 2.879 2.701 2.995 . 0 0 "[ . 1]" 1
127 1 54 ILE MG 1 58 VAL H 2.625 . 3.486 3.131 3.015 3.268 . 0 0 "[ . 1]" 1
128 1 23 ILE HB 1 58 VAL H 2.672 . 3.565 2.483 2.452 2.548 . 0 0 "[ . 1]" 1
129 1 56 ASN H 1 58 VAL H 3.455 . 4.947 4.765 4.653 4.834 . 0 0 "[ . 1]" 1
130 1 57 ASP QB 1 58 VAL H 3.187 . 4.457 3.254 3.112 3.420 . 0 0 "[ . 1]" 1
131 1 60 ILE H 1 60 ILE MG 2.909 . 3.175 1.926 1.859 2.021 . 0 0 "[ . 1]" 1
132 1 60 ILE MG 1 61 LEU H 3.057 . 3.387 1.956 1.870 2.077 0.019 10 0 "[ . 1]" 1
133 1 61 LEU H 1 62 LYS QD 3.152 . 4.394 4.150 3.509 4.462 0.068 10 0 "[ . 1]" 1
134 1 62 LYS H 1 65 ASP QB 3.147 . 4.385 2.557 2.318 2.817 . 0 0 "[ . 1]" 1
135 1 62 LYS H 1 62 LYS QB 2.598 . 3.442 2.163 2.030 2.389 . 0 0 "[ . 1]" 1
136 1 61 LEU QB 1 62 LYS H 2.788 . 3.760 2.570 2.328 2.838 . 0 0 "[ . 1]" 1
137 1 61 LEU MD2 1 62 LYS H 3.040 . 3.801 3.088 2.981 3.191 . 0 0 "[ . 1]" 1
138 1 17 ALA MB 1 64 GLY H 3.377 . 4.803 2.982 2.730 3.197 . 0 0 "[ . 1]" 1
139 1 16 ILE MG 1 64 GLY H 3.386 . 4.820 2.897 2.582 3.175 . 0 0 "[ . 1]" 1
140 1 63 PRO QB 1 64 GLY H 3.623 . 5.264 3.659 3.571 3.735 . 0 0 "[ . 1]" 1
141 1 16 ILE HA 1 64 GLY H 3.474 . 4.983 4.432 4.268 4.526 . 0 0 "[ . 1]" 1
142 1 64 GLY QA 1 65 ASP H 2.960 . 4.055 2.876 2.820 2.911 . 0 0 "[ . 1]" 1
143 1 65 ASP H 1 65 ASP QB 2.464 . 3.223 2.266 2.227 2.317 . 0 0 "[ . 1]" 1
144 1 17 ALA MB 1 65 ASP H 2.701 . 3.613 2.616 2.428 2.768 . 0 0 "[ . 1]" 1
145 1 65 ASP QB 1 66 LYS H 2.947 . 4.033 2.838 2.549 3.386 . 0 0 "[ . 1]" 1
146 1 66 LYS H 1 66 LYS QB 2.526 . 3.324 2.485 2.306 2.615 . 0 0 "[ . 1]" 1
147 1 66 LYS H 1 66 LYS QG 3.160 . 4.408 4.074 4.008 4.127 . 0 0 "[ . 1]" 1
148 1 16 ILE MG 1 66 LYS H 3.555 . 5.135 4.871 4.689 5.012 . 0 0 "[ . 1]" 1
149 1 67 VAL H 1 67 VAL MG2 . . 2.952 1.878 1.842 1.921 0.074 6 0 "[ . 1]" 1
150 1 66 LYS QG 1 67 VAL H 3.686 . 5.385 3.148 3.008 3.340 . 0 0 "[ . 1]" 1
151 1 18 PRO QD 1 67 VAL H 3.661 . 5.336 5.476 5.411 5.591 0.255 7 0 "[ . 1]" 1
152 1 68 GLY QA 1 69 ALA H 3.250 . 4.570 2.276 2.265 2.287 . 0 0 "[ . 1]" 1
153 1 68 GLY QA 1 69 ALA H 3.115 . 4.328 2.191 2.181 2.200 . 0 0 "[ . 1]" 1
154 1 69 ALA H 1 69 ALA MB 3.077 . 3.680 2.241 2.227 2.253 . 0 0 "[ . 1]" 1
155 1 68 GLY QA 1 71 GLU H 3.128 . 4.351 3.223 3.155 3.290 . 0 0 "[ . 1]" 1
156 1 71 GLU H 1 71 GLU QB 2.692 . 3.598 2.174 2.147 2.204 . 0 0 "[ . 1]" 1
157 1 69 ALA MB 1 71 GLU H 2.821 . 3.816 3.888 3.842 3.947 0.131 10 0 "[ . 1]" 1
158 1 41 LEU MD2 1 71 GLU H 2.833 . 3.836 3.099 2.929 3.428 . 0 0 "[ . 1]" 1
159 1 72 ALA H 1 72 ALA MB 2.283 . 2.925 2.232 2.224 2.241 . 0 0 "[ . 1]" 1
160 1 67 VAL MG1 1 72 ALA H 2.576 . 3.405 2.867 2.775 2.975 . 0 0 "[ . 1]" 1
161 1 13 PRO QB 1 72 ALA H 3.217 . 4.511 4.131 3.770 4.302 . 0 0 "[ . 1]" 1
162 1 71 GLU QB 1 72 ALA H 2.685 . 3.586 2.308 2.266 2.353 . 0 0 "[ . 1]" 1
163 1 72 ALA MB 1 73 THR H 2.383 . 3.093 2.420 2.351 2.530 . 0 0 "[ . 1]" 1
164 1 72 ALA HA 1 74 LEU H 2.503 . 3.286 3.383 3.369 3.396 0.110 8 0 "[ . 1]" 1
165 1 74 LEU H 1 74 LEU QB 2.452 . 3.018 2.210 2.189 2.237 . 0 0 "[ . 1]" 1
166 1 74 LEU H 1 74 LEU MD1 3.330 . 4.716 4.132 4.071 4.177 . 0 0 "[ . 1]" 1
167 1 74 LEU H 1 74 LEU MD2 3.244 . 4.271 4.216 4.193 4.264 . 0 0 "[ . 1]" 1
168 1 72 ALA HA 1 75 LEU H 2.606 . 3.455 2.706 2.682 2.720 . 0 0 "[ . 1]" 1
169 1 75 LEU H 1 75 LEU QB 2.211 . 2.822 2.414 2.366 2.456 . 0 0 "[ . 1]" 1
170 1 74 LEU QB 1 75 LEU H 2.672 . 3.564 2.397 2.218 2.530 . 0 0 "[ . 1]" 1
171 1 75 LEU H 1 75 LEU QD 2.631 . 3.496 3.084 3.021 3.132 . 0 0 "[ . 1]" 1
172 1 76 ASN H 1 76 ASN QB 2.416 . 3.146 2.245 2.170 2.319 . 0 0 "[ . 1]" 1
173 1 76 ASN H 1 77 MET QG 3.534 . 5.095 3.938 3.495 4.276 . 0 0 "[ . 1]" 1
174 1 75 LEU QB 1 76 ASN H 2.554 . 3.369 2.908 2.811 3.032 . 0 0 "[ . 1]" 1
175 1 11 ALA MB 1 76 ASN H 2.974 . 4.080 3.678 3.271 3.947 . 0 0 "[ . 1]" 1
176 1 75 LEU QD 1 76 ASN H 3.187 . 4.457 4.225 4.181 4.280 . 0 0 "[ . 1]" 1
177 1 73 THR HA 1 77 MET H 2.864 . 3.889 3.775 3.714 3.839 . 0 0 "[ . 1]" 1
178 1 76 ASN QB 1 77 MET H 2.636 . 3.504 2.563 2.444 2.756 . 0 0 "[ . 1]" 1
179 1 77 MET H 1 77 MET QG 2.649 . 3.526 2.174 1.923 2.421 . 0 0 "[ . 1]" 1
180 1 77 MET H 1 77 MET QB 2.394 . 3.110 2.507 2.321 2.633 . 0 0 "[ . 1]" 1
181 1 76 ASN QB 1 78 LEU H 3.379 . 4.806 4.378 4.280 4.527 . 0 0 "[ . 1]" 1
182 1 78 LEU H 1 78 LEU QB 2.412 . 3.139 2.104 1.999 2.321 . 0 0 "[ . 1]" 1
183 1 77 MET QG 1 78 LEU H 3.350 . 4.753 3.688 2.247 4.217 . 0 0 "[ . 1]" 1
184 1 79 ASN H 1 79 ASN QB 2.998 . 4.008 3.051 2.899 3.321 . 0 0 "[ . 1]" 1
185 1 78 LEU QB 1 79 ASN H 3.025 . 4.169 3.112 2.872 3.264 . 0 0 "[ . 1]" 1
186 1 80 ILE MG 1 81 SER H 2.852 . 3.869 2.514 1.970 2.810 . 0 0 "[ . 1]" 1
187 1 82 PRO QD 1 83 PHE H 2.745 . 3.687 2.557 2.281 2.784 . 0 0 "[ . 1]" 1
188 1 83 PHE H 1 83 PHE QB 2.637 . 3.506 2.619 2.524 2.702 . 0 0 "[ . 1]" 1
189 1 82 PRO QB 1 83 PHE H 3.396 . 4.033 3.565 3.128 3.796 . 0 0 "[ . 1]" 1
190 1 83 PHE QD 1 84 SER H 3.629 . 5.275 3.845 3.709 3.910 . 0 0 "[ . 1]" 1
191 1 85 TYR H 1 85 TYR QB 3.441 . 4.513 2.713 2.220 3.190 . 0 0 "[ . 1]" 1
192 1 85 TYR QD 1 86 GLY H 3.449 . 4.936 3.906 3.047 4.724 . 0 0 "[ . 1]" 1
193 1 86 GLY H 1 86 GLY QA 2.457 . 3.212 2.398 2.233 2.488 . 0 0 "[ . 1]" 1
194 1 85 TYR QB 1 86 GLY H 3.139 . 4.371 2.995 1.942 3.944 . 0 0 "[ . 1]" 1
195 1 37 PHE QB 1 37 PHE QD 2.861 . 3.884 2.122 2.119 2.125 . 0 0 "[ . 1]" 1
196 1 34 LYS QB 1 37 PHE HD1 3.449 . 4.936 3.581 3.421 3.869 . 0 0 "[ . 1]" 1
197 1 34 LYS QD 1 37 PHE QD 3.871 . 5.745 3.098 2.872 4.000 . 0 0 "[ . 1]" 1
198 1 34 LYS HG2 1 37 PHE HD1 3.175 . 4.435 3.612 3.346 3.972 . 0 0 "[ . 1]" 1
199 1 37 PHE QD 1 40 ALA MB 2.961 . 4.057 4.025 3.902 4.092 0.035 8 0 "[ . 1]" 1
200 1 37 PHE QD 1 73 THR MG 2.525 . 3.322 3.283 3.137 3.345 0.023 6 0 "[ . 1]" 1
201 1 37 PHE QD 1 74 LEU MD1 3.410 . 4.863 4.246 4.085 4.397 . 0 0 "[ . 1]" 1
202 1 37 PHE HA 1 37 PHE QD 2.650 . 3.528 3.050 2.993 3.114 . 0 0 "[ . 1]" 1
203 1 37 PHE QD 1 73 THR HB 3.111 . 4.321 2.846 2.537 3.098 . 0 0 "[ . 1]" 1
204 1 38 PHE QB 1 38 PHE QD 3.111 . 3.688 2.130 2.126 2.135 . 0 0 "[ . 1]" 1
205 1 38 PHE HA 1 38 PHE QD 2.706 . 3.067 2.727 2.632 2.797 . 0 0 "[ . 1]" 1
206 1 38 PHE QD 1 43 ILE HB 2.933 . 4.009 3.345 3.285 3.402 . 0 0 "[ . 1]" 1
207 1 38 PHE HD1 1 43 ILE HG13 3.449 . 4.936 3.597 3.468 3.783 . 0 0 "[ . 1]" 1
208 1 30 LEU MD1 1 38 PHE HD2 2.574 . 3.402 2.393 2.288 2.473 . 0 0 "[ . 1]" 1
209 1 38 PHE HD1 1 43 ILE MD 2.763 . 3.717 2.259 1.869 2.737 . 0 0 "[ . 1]" 1
210 1 38 PHE QD 1 45 THR MG 2.580 . 3.412 3.061 2.994 3.176 . 0 0 "[ . 1]" 1
211 1 38 PHE QD 1 74 LEU MD2 3.224 . 4.224 2.999 2.713 3.244 . 0 0 "[ . 1]" 1
212 1 38 PHE QD 1 74 LEU MD1 3.250 . 4.570 2.747 2.642 2.949 . 0 0 "[ . 1]" 1
213 1 38 PHE QD 1 52 ILE MD 3.278 . 4.621 2.790 2.737 2.887 . 0 0 "[ . 1]" 1
214 1 38 PHE QE 1 74 LEU MD2 3.073 . 4.253 3.770 3.434 4.003 . 0 0 "[ . 1]" 1
215 1 38 PHE HE1 1 45 THR MG 2.590 . 3.429 2.078 1.964 2.195 . 0 0 "[ . 1]" 1
216 1 38 PHE QE 1 54 ILE MD 2.439 . 3.008 2.426 2.228 2.541 . 0 0 "[ . 1]" 1
217 1 28 THR MG 1 38 PHE QE 2.224 . 2.842 2.208 2.126 2.352 . 0 0 "[ . 1]" 1
218 1 38 PHE QE 1 78 LEU QD 2.607 . 3.180 1.960 1.884 2.091 . 0 0 "[ . 1]" 1
219 1 38 PHE QE 1 77 MET ME 3.492 . 5.016 3.966 3.242 4.986 . 0 0 "[ . 1]" 1
220 1 30 LEU HG 1 38 PHE QE 3.786 . 5.578 3.821 3.559 4.072 . 0 0 "[ . 1]" 1
221 1 30 LEU QB 1 38 PHE QE 3.871 . 5.745 2.942 2.807 3.194 . 0 0 "[ . 1]" 1
222 1 38 PHE QE 1 74 LEU MD1 2.790 . 3.358 2.482 2.409 2.561 . 0 0 "[ . 1]" 1
223 1 38 PHE QE 1 52 ILE MD 2.961 . 3.569 2.749 2.644 2.841 . 0 0 "[ . 1]" 1
224 1 30 LEU HA 1 38 PHE HE2 3.449 . 4.936 4.997 4.878 5.097 0.161 3 0 "[ . 1]" 1
225 1 28 THR HB 1 38 PHE HE1 3.308 . 4.676 3.799 3.485 4.196 . 0 0 "[ . 1]" 1
226 1 38 PHE HA 1 38 PHE QE 3.175 . 4.435 4.516 4.485 4.534 0.099 2 0 "[ . 1]" 1
227 1 34 LYS HB2 1 38 PHE HE1 4.095 . 5.944 2.287 2.186 2.429 . 0 0 "[ . 1]" 1
228 1 83 PHE QB 1 83 PHE QD 2.947 . 3.847 2.126 2.122 2.130 . 0 0 "[ . 1]" 1
229 1 83 PHE HA 1 83 PHE QD 2.829 . 3.829 2.964 2.653 3.190 . 0 0 "[ . 1]" 1
230 1 11 ALA HA 1 83 PHE QD 3.038 . 4.092 3.387 2.864 3.660 . 0 0 "[ . 1]" 1
231 1 82 PRO QB 1 83 PHE QD 3.539 . 5.104 3.420 2.624 3.713 . 0 0 "[ . 1]" 1
232 1 11 ALA MB 1 83 PHE QD 3.591 . 3.877 3.784 3.152 3.922 0.045 7 0 "[ . 1]" 1
233 1 9 ALA MB 1 83 PHE QD 3.786 . 3.814 2.431 2.170 2.994 . 0 0 "[ . 1]" 1
234 1 85 TYR QB 1 85 TYR QD 2.933 . 3.485 2.137 2.135 2.142 . 0 0 "[ . 1]" 1
235 1 85 TYR HA 1 85 TYR QD 2.961 . 4.057 3.276 2.644 3.754 . 0 0 "[ . 1]" 1
236 1 7 VAL HB 1 7 VAL MG1 1.988 . 2.412 2.126 2.121 2.132 . 0 0 "[ . 1]" 1
237 1 7 VAL HA 1 7 VAL MG1 2.269 . 2.705 2.617 2.261 3.222 0.517 3 3 "[* + - 1]" 1
238 1 9 ALA HA 1 9 ALA MB 2.114 . 2.630 2.130 2.120 2.137 . 0 0 "[ . 1]" 1
239 1 9 ALA MB 1 83 PHE QB 2.747 . 3.690 1.855 1.721 2.082 0.146 6 0 "[ . 1]" 1
240 1 8 GLN HB3 1 9 ALA HA 2.864 . 3.889 3.864 3.791 3.971 0.082 7 0 "[ . 1]" 1
241 1 10 PRO HA 1 10 PRO QB 2.350 . 2.494 2.177 2.173 2.183 . 0 0 "[ . 1]" 1
242 1 10 PRO QB 1 10 PRO QD 2.826 . 2.870 2.736 2.687 2.778 . 0 0 "[ . 1]" 1
243 1 11 ALA MB 1 12 ARG H 2.726 . 3.655 3.361 3.250 3.412 . 0 0 "[ . 1]" 1
244 1 8 GLN QE 1 11 ALA MB 2.727 . 3.657 3.382 2.510 3.698 0.041 1 0 "[ . 1]" 1
245 1 11 ALA HA 1 11 ALA MB 2.249 . 2.833 2.128 2.123 2.132 . 0 0 "[ . 1]" 1
246 1 11 ALA MB 1 82 PRO QD 2.234 . 2.858 2.732 2.421 2.913 0.055 9 0 "[ . 1]" 1
247 1 11 ALA MB 1 75 LEU QB 2.347 . 3.035 2.605 2.367 2.836 . 0 0 "[ . 1]" 1
248 1 11 ALA MB 1 75 LEU MD1 2.442 . 3.187 2.990 2.779 3.157 . 0 0 "[ . 1]" 1
249 1 11 ALA MB 1 12 ARG HA 2.903 . 3.957 4.111 4.078 4.131 0.174 10 0 "[ . 1]" 1
250 1 11 ALA MB 1 76 ASN QB 3.240 . 4.552 3.381 2.458 4.321 . 0 0 "[ . 1]" 1
251 1 8 GLN QG 1 11 ALA MB 3.026 . 4.170 4.002 3.740 4.220 0.050 3 0 "[ . 1]" 1
252 1 15 ALA HA 1 15 ALA MB 2.046 . 2.569 2.129 2.128 2.131 . 0 0 "[ . 1]" 1
253 1 15 ALA MB 1 16 ILE H 2.411 . 3.138 2.712 2.579 2.862 . 0 0 "[ . 1]" 1
254 1 15 ALA MB 1 67 VAL HB 2.695 . 3.210 3.140 3.019 3.266 0.056 8 0 "[ . 1]" 1
255 1 12 ARG HA 1 12 ARG QD 2.914 . 3.976 3.445 3.170 3.736 . 0 0 "[ . 1]" 1
256 1 12 ARG QD 1 12 ARG QG 2.333 . 3.013 2.035 1.994 2.089 . 0 0 "[ . 1]" 1
257 1 12 ARG H 1 12 ARG QB 3.053 . 4.218 2.538 2.477 2.614 . 0 0 "[ . 1]" 1
258 1 13 PRO QD 1 72 ALA MB . . 2.580 1.838 1.806 1.879 . 0 0 "[ . 1]" 1
259 1 16 ILE MD 1 66 LYS QG 2.096 . 2.645 2.343 2.069 2.570 . 0 0 "[ . 1]" 1
260 1 16 ILE MD 1 66 LYS QE 2.802 . 3.784 3.260 2.145 3.833 0.049 4 0 "[ . 1]" 1
261 1 16 ILE HA 1 16 ILE MD 2.347 . 3.035 2.017 1.977 2.058 . 0 0 "[ . 1]" 1
262 1 16 ILE H 1 16 ILE MD 2.936 . 4.014 3.384 3.253 3.500 . 0 0 "[ . 1]" 1
263 1 16 ILE MD 1 17 ALA H 2.980 . 4.090 3.558 3.444 3.696 . 0 0 "[ . 1]" 1
264 1 16 ILE HB 1 16 ILE MG 2.385 . 2.801 2.127 2.126 2.129 . 0 0 "[ . 1]" 1
265 1 17 ALA MB 1 18 PRO QD 2.750 . 3.695 3.192 3.168 3.278 . 0 0 "[ . 1]" 1
266 1 17 ALA MB 1 65 ASP QB 2.922 . 3.989 2.480 2.208 2.697 . 0 0 "[ . 1]" 1
267 1 17 ALA MB 1 61 LEU MD1 2.180 . 2.774 2.020 1.905 2.084 . 0 0 "[ . 1]" 1
268 1 17 ALA MB 1 63 PRO HA 2.623 . 3.483 3.382 3.121 3.555 0.072 1 0 "[ . 1]" 1
269 1 17 ALA HA 1 18 PRO QD 2.492 . 3.268 1.813 1.794 1.847 . 0 0 "[ . 1]" 1
270 1 17 ALA HA 1 17 ALA MB 2.405 . 2.834 2.125 2.122 2.128 . 0 0 "[ . 1]" 1
271 1 18 PRO HA 1 18 PRO QB 2.329 . 2.598 2.186 2.172 2.196 . 0 0 "[ . 1]" 1
272 1 18 PRO HA 1 18 PRO QG 2.346 . 3.034 3.113 3.066 3.161 0.127 7 0 "[ . 1]" 1
273 1 19 LEU QD 1 20 SER H 2.858 . 3.879 3.322 3.270 3.400 . 0 0 "[ . 1]" 1
274 1 19 LEU HA 1 19 LEU QD 2.237 . 2.702 2.045 1.955 2.081 . 0 0 "[ . 1]" 1
275 1 19 LEU QD 1 19 LEU HG 2.085 . 2.536 1.893 1.887 1.895 . 0 0 "[ . 1]" 1
276 1 19 LEU HA 1 19 LEU QD 2.691 . 3.596 2.003 1.810 2.066 . 0 0 "[ . 1]" 1
277 1 19 LEU QB 1 19 LEU QD 2.085 . 2.628 1.716 1.704 1.747 . 0 0 "[ . 1]" 1
278 1 19 LEU HA 1 19 LEU QB 2.251 . 2.884 2.360 2.339 2.387 . 0 0 "[ . 1]" 1
279 1 19 LEU QB 1 19 LEU QD 2.643 . 2.932 1.966 1.933 2.062 . 0 0 "[ . 1]" 1
280 1 19 LEU QB 1 21 VAL MG2 2.606 . 3.455 2.560 2.398 2.827 . 0 0 "[ . 1]" 1
281 1 20 SER QB 1 21 VAL H 2.732 . 3.665 3.825 3.757 3.965 0.300 8 0 "[ . 1]" 1
282 1 21 VAL HA 1 21 VAL MG1 2.362 . 3.059 2.329 2.297 2.346 . 0 0 "[ . 1]" 1
283 1 21 VAL HB 1 21 VAL MG2 2.156 . 2.737 2.125 2.123 2.127 . 0 0 "[ . 1]" 1
284 1 21 VAL HA 1 21 VAL MG2 2.335 . 3.017 2.483 2.453 2.514 . 0 0 "[ . 1]" 1
285 1 21 VAL MG2 1 61 LEU QB 2.360 . 3.056 2.068 2.011 2.133 . 0 0 "[ . 1]" 1
286 1 22 VAL MG1 1 22 VAL MG2 1.947 . 2.421 2.084 2.077 2.088 . 0 0 "[ . 1]" 1
287 1 22 VAL MG1 1 57 ASP QB 2.330 . 3.009 2.060 1.953 2.129 . 0 0 "[ . 1]" 1
288 1 22 VAL MG1 1 60 ILE H 3.074 . 4.255 4.215 4.127 4.273 0.018 2 0 "[ . 1]" 1
289 1 22 VAL MG1 1 23 ILE HA 2.589 . 3.427 2.841 2.728 2.891 . 0 0 "[ . 1]" 1
290 1 22 VAL HA 1 22 VAL MG1 2.366 . 2.909 2.497 2.470 2.513 . 0 0 "[ . 1]" 1
291 1 22 VAL HB 1 22 VAL MG1 2.162 . 2.479 2.127 2.126 2.129 . 0 0 "[ . 1]" 1
292 1 23 ILE H 1 23 ILE MD 2.964 . 4.062 3.741 3.696 3.802 . 0 0 "[ . 1]" 1
293 1 23 ILE HA 1 23 ILE MD 2.738 . 3.675 3.537 3.503 3.572 . 0 0 "[ . 1]" 1
294 1 23 ILE MD 1 75 LEU HA 3.023 . 4.165 4.088 3.945 4.202 0.037 9 0 "[ . 1]" 1
295 1 23 ILE HB 1 23 ILE MD 2.321 . 2.994 2.425 2.392 2.460 . 0 0 "[ . 1]" 1
296 1 23 ILE MD 1 23 ILE QG 2.098 . 2.363 1.885 1.884 1.886 . 0 0 "[ . 1]" 1
297 1 23 ILE HB 1 23 ILE MG 2.186 . 2.783 2.131 2.128 2.133 . 0 0 "[ . 1]" 1
298 1 23 ILE HA 1 23 ILE MG 2.302 . 2.964 2.455 2.431 2.488 . 0 0 "[ . 1]" 1
299 1 23 ILE MG 1 24 PRO QD 2.523 . 3.138 2.821 2.745 2.992 . 0 0 "[ . 1]" 1
300 1 23 ILE MG 1 38 PHE QD 2.314 . 2.984 3.106 3.060 3.159 0.175 2 0 "[ . 1]" 1
301 1 23 ILE H 1 23 ILE MG 3.048 . 4.209 3.785 3.776 3.801 . 0 0 "[ . 1]" 1
302 1 23 ILE HA 1 24 PRO QD 2.465 . 3.225 1.822 1.801 1.854 . 0 0 "[ . 1]" 1
303 1 24 PRO HA 1 24 PRO QB 2.322 . 2.996 2.200 2.183 2.214 . 0 0 "[ . 1]" 1
304 1 22 VAL MG1 1 24 PRO HA 2.896 . 3.617 2.940 2.811 3.021 . 0 0 "[ . 1]" 1
305 1 25 ALA HA 1 25 ALA MB 2.019 . 2.529 2.121 2.114 2.128 . 0 0 "[ . 1]" 1
306 1 25 ALA MB 1 56 ASN HA 2.296 . 2.955 2.857 2.670 2.965 0.010 3 0 "[ . 1]" 1
307 1 25 ALA MB 1 56 ASN H 2.783 . 3.751 3.575 3.444 3.761 0.010 1 0 "[ . 1]" 1
308 1 25 ALA MB 1 57 ASP H 2.405 . 3.128 2.569 2.397 2.837 . 0 0 "[ . 1]" 1
309 1 25 ALA HA 1 25 ALA MB 2.261 . 2.665 1.954 1.867 2.054 . 0 0 "[ . 1]" 1
310 1 26 HIS HA 1 26 HIS QB 2.435 . 2.908 2.323 2.180 2.482 . 0 0 "[ . 1]" 1
311 1 26 HIS QB 1 27 ASN QD 3.182 . 4.448 4.183 3.510 4.540 0.092 8 0 "[ . 1]" 1
312 1 27 ASN QB 1 29 GLY H 2.947 . 3.859 2.652 2.468 3.012 . 0 0 "[ . 1]" 1
313 1 27 ASN HA 1 27 ASN QB 3.109 . 3.356 2.179 2.164 2.189 . 0 0 "[ . 1]" 1
314 1 27 ASN QB 1 53 GLU HA 3.224 . 4.524 3.937 3.391 4.563 0.039 8 0 "[ . 1]" 1
315 1 79 ASN HA 1 79 ASN QB 2.630 . 2.814 2.393 2.181 2.456 . 0 0 "[ . 1]" 1
316 1 28 THR HA 1 28 THR MG 2.597 . 3.272 2.318 2.249 2.399 . 0 0 "[ . 1]" 1
317 1 27 ASN QD 1 28 THR HA 2.958 . 4.052 4.015 3.539 4.158 0.106 2 0 "[ . 1]" 1
318 1 28 THR HB 1 28 THR MG 2.422 . 3.155 2.137 2.134 2.140 . 0 0 "[ . 1]" 1
319 1 30 LEU MD2 1 34 LYS QE 2.742 . 3.682 3.028 2.590 3.666 . 0 0 "[ . 1]" 1
320 1 30 LEU MD1 1 38 PHE QE 2.343 . 3.029 2.398 2.300 2.634 . 0 0 "[ . 1]" 1
321 1 30 LEU MD1 1 34 LYS QB 2.615 . 3.470 1.955 1.867 2.058 . 0 0 "[ . 1]" 1
322 1 30 LEU H 1 30 LEU MD1 2.911 . 3.970 3.752 3.633 3.917 . 0 0 "[ . 1]" 1
323 1 30 LEU HA 1 30 LEU MD2 2.178 . 2.674 2.046 1.975 2.065 . 0 0 "[ . 1]" 1
324 1 30 LEU HA 1 30 LEU QB 2.384 . 3.094 2.368 2.353 2.401 . 0 0 "[ . 1]" 1
325 1 30 LEU QB 1 30 LEU QD 2.538 . 3.343 1.942 1.935 1.946 . 0 0 "[ . 1]" 1
326 1 30 LEU QB 1 34 LYS HB2 . . 3.281 2.532 2.361 2.716 . 0 0 "[ . 1]" 1
327 1 30 LEU QB 1 52 ILE MG 3.096 . 3.439 2.181 2.139 2.229 . 0 0 "[ . 1]" 1
328 1 41 LEU QB 1 43 ILE MD 2.383 . 3.093 2.723 2.643 2.820 . 0 0 "[ . 1]" 1
329 1 13 PRO QB 1 68 GLY QA 3.358 . 4.768 3.106 3.008 3.209 . 0 0 "[ . 1]" 1
330 1 32 PRO HA 1 32 PRO QB 2.297 . 2.682 2.208 2.198 2.224 . 0 0 "[ . 1]" 1
331 1 32 PRO QB 1 47 ILE MD 2.934 . 3.373 2.052 1.985 2.129 . 0 0 "[ . 1]" 1
332 1 33 GLU HA 1 33 GLU QB 2.096 . 2.545 2.276 2.166 2.439 . 0 0 "[ . 1]" 1
333 1 33 GLU HA 1 33 GLU QG 2.858 . 3.879 3.022 2.500 3.331 . 0 0 "[ . 1]" 1
334 1 33 GLU QG 1 34 LYS HA 3.387 . 4.821 3.533 3.270 4.165 . 0 0 "[ . 1]" 1
335 1 33 GLU QB 1 33 GLU QG 2.005 . 2.508 2.058 1.992 2.086 . 0 0 "[ . 1]" 1
336 1 34 LYS QB 1 34 LYS HG2 2.675 . 3.361 2.118 2.113 2.120 . 0 0 "[ . 1]" 1
337 1 34 LYS HA 1 34 LYS QG 2.676 . 3.133 3.028 2.956 3.178 0.045 2 0 "[ . 1]" 1
338 1 34 LYS QE 1 34 LYS QG 2.577 . 2.708 2.238 2.125 2.329 . 0 0 "[ . 1]" 1
339 1 34 LYS QB 1 34 LYS HE3 2.788 . 3.760 3.676 2.160 3.928 0.168 8 0 "[ . 1]" 1
340 1 34 LYS QD 1 34 LYS QE 2.878 . 3.079 2.044 1.996 2.088 . 0 0 "[ . 1]" 1
341 1 34 LYS HD2 1 37 PHE H 3.263 . 4.594 3.072 2.860 3.901 . 0 0 "[ . 1]" 1
342 1 35 THR HB 1 38 PHE QD 2.732 . 3.665 3.822 3.784 3.859 0.194 1 0 "[ . 1]" 1
343 1 35 THR HB 1 52 ILE MG 2.661 . 3.546 3.585 3.496 3.674 0.128 7 0 "[ . 1]" 1
344 1 35 THR HA 1 35 THR MG 2.476 . 3.242 3.204 3.190 3.211 . 0 0 "[ . 1]" 1
345 1 35 THR HA 1 45 THR MG 3.188 . 4.458 2.967 2.804 3.114 . 0 0 "[ . 1]" 1
346 1 42 SER H 1 42 SER QB 2.658 . 3.541 3.098 2.883 3.364 . 0 0 "[ . 1]" 1
347 1 37 PHE HA 1 37 PHE QB 2.483 . 3.254 2.400 2.373 2.435 . 0 0 "[ . 1]" 1
348 1 38 PHE HA 1 41 LEU QB 2.515 . 3.306 3.261 3.166 3.319 0.013 7 0 "[ . 1]" 1
349 1 38 PHE H 1 38 PHE QB 3.098 . 4.297 2.394 2.384 2.407 . 0 0 "[ . 1]" 1
350 1 38 PHE HA 1 38 PHE QB . . 2.714 2.415 2.406 2.421 . 0 0 "[ . 1]" 1
351 1 38 PHE QB 1 45 THR MG 2.797 . 3.775 1.852 1.784 1.927 0.103 2 0 "[ . 1]" 1
352 1 38 PHE QB 1 43 ILE HB 2.923 . 3.991 2.124 2.029 2.184 . 0 0 "[ . 1]" 1
353 1 38 PHE QB 1 43 ILE MD 3.275 . 4.616 2.414 2.341 2.482 . 0 0 "[ . 1]" 1
354 1 36 SER HA 1 39 GLN HB2 2.433 . 3.173 2.282 2.250 2.329 . 0 0 "[ . 1]" 1
355 1 39 GLN HA 1 39 GLN QG 2.688 . 3.591 2.343 2.307 2.376 . 0 0 "[ . 1]" 1
356 1 35 THR MG 1 39 GLN QG 2.879 . 3.915 3.687 3.391 3.901 . 0 0 "[ . 1]" 1
357 1 39 GLN QG 1 43 ILE H 3.027 . 4.173 4.069 3.817 4.178 0.005 5 0 "[ . 1]" 1
358 1 40 ALA MB 1 41 LEU H 2.628 . 3.491 2.590 2.491 2.680 . 0 0 "[ . 1]" 1
359 1 37 PHE HA 1 40 ALA MB 1.971 . 2.457 1.929 1.901 1.950 . 0 0 "[ . 1]" 1
360 1 40 ALA MB 1 70 SER QB 2.618 . 3.475 3.046 2.839 3.200 . 0 0 "[ . 1]" 1
361 1 40 ALA HA 1 40 ALA MB 2.118 . 2.443 2.131 2.129 2.134 . 0 0 "[ . 1]" 1
362 1 41 LEU QB 1 41 LEU MD2 2.309 . 2.562 2.277 2.252 2.290 . 0 0 "[ . 1]" 1
363 1 41 LEU MD2 1 71 GLU QG 2.523 . 3.226 3.293 3.244 3.500 0.274 8 0 "[ . 1]" 1
364 1 41 LEU MD2 1 70 SER QB 2.310 . 2.977 2.069 2.039 2.116 . 0 0 "[ . 1]" 1
365 1 41 LEU HA 1 41 LEU MD2 2.106 . 2.660 2.735 2.694 2.973 0.313 8 0 "[ . 1]" 1
366 1 41 LEU HG 1 71 GLU QG 2.880 . 3.917 2.199 2.126 2.296 . 0 0 "[ . 1]" 1
367 1 41 LEU QB 1 41 LEU HG 2.015 . 2.523 2.166 2.165 2.167 . 0 0 "[ . 1]" 1
368 1 41 LEU HA 1 41 LEU QB 2.644 . 3.518 2.449 2.420 2.460 . 0 0 "[ . 1]" 1
369 1 53 GLU HA 1 54 ILE MD 3.022 . 4.164 3.622 2.668 4.090 . 0 0 "[ . 1]" 1
370 1 43 ILE HA 1 43 ILE MG 2.293 . 2.950 2.459 2.436 2.480 . 0 0 "[ . 1]" 1
371 1 43 ILE HB 1 43 ILE MG 2.174 . 2.765 2.129 2.127 2.132 . 0 0 "[ . 1]" 1
372 1 38 PHE QD 1 43 ILE MG 2.314 . 2.984 2.400 2.290 2.477 . 0 0 "[ . 1]" 1
373 1 38 PHE QB 1 43 ILE MG 2.892 . 3.937 2.554 2.463 2.656 . 0 0 "[ . 1]" 1
374 1 41 LEU QB 1 43 ILE QG 2.466 . 3.226 2.553 2.417 2.658 . 0 0 "[ . 1]" 1
375 1 44 PRO HA 1 44 PRO QB 2.354 . 2.613 2.189 2.180 2.194 . 0 0 "[ . 1]" 1
376 1 44 PRO HA 1 45 THR MG 2.929 . 4.001 3.227 3.180 3.281 . 0 0 "[ . 1]" 1
377 1 45 THR HA 1 45 THR MG 2.389 . 3.103 2.286 2.229 2.360 . 0 0 "[ . 1]" 1
378 1 45 THR HA 1 55 ILE QG 2.892 . 3.938 3.518 3.341 3.625 . 0 0 "[ . 1]" 1
379 1 46 LYS HA 1 46 LYS QB 2.222 . 2.622 2.300 2.175 2.512 . 0 0 "[ . 1]" 1
380 1 46 LYS QE 1 46 LYS QG 2.683 . 3.583 2.376 2.134 2.815 . 0 0 "[ . 1]" 1
381 1 46 LYS QE 1 55 ILE MG 3.065 . 3.925 1.936 1.823 2.373 0.068 8 0 "[ . 1]" 1
382 1 47 ILE MD 1 47 ILE QG 2.015 . 2.522 1.887 1.887 1.888 . 0 0 "[ . 1]" 1
383 1 32 PRO HG2 1 47 ILE MD 2.371 . 3.074 3.114 3.075 3.135 0.061 7 0 "[ . 1]" 1
384 1 47 ILE MD 1 52 ILE HA 2.493 . 3.270 2.107 2.045 2.242 . 0 0 "[ . 1]" 1
385 1 32 PRO HA 1 47 ILE MD 2.492 . 3.268 2.232 2.064 2.433 . 0 0 "[ . 1]" 1
386 1 47 ILE HA 1 47 ILE MD 2.359 . 3.054 2.081 2.045 2.127 . 0 0 "[ . 1]" 1
387 1 47 ILE H 1 47 ILE MD 2.918 . 3.983 3.057 2.991 3.139 . 0 0 "[ . 1]" 1
388 1 47 ILE MD 1 48 SER H 2.989 . 4.106 3.774 3.677 3.876 . 0 0 "[ . 1]" 1
389 1 47 ILE MD 1 53 GLU H 3.128 . 4.351 3.337 3.210 3.553 . 0 0 "[ . 1]" 1
390 1 47 ILE MD 1 51 THR HA 3.044 . 4.202 4.194 4.072 4.251 0.049 8 0 "[ . 1]" 1
391 1 48 SER HA 1 48 SER QB 2.595 . 3.050 2.330 2.181 2.416 . 0 0 "[ . 1]" 1
392 1 49 LYS HA 1 49 LYS QB 2.314 . 2.806 2.322 2.168 2.404 . 0 0 "[ . 1]" 1
393 1 51 THR HA 1 51 THR MG 2.355 . 2.737 2.290 2.235 2.345 . 0 0 "[ . 1]" 1
394 1 45 THR MG 1 52 ILE MD 1.963 . 2.444 1.725 1.707 1.747 . 0 0 "[ . 1]" 1
395 1 52 ILE MD 1 52 ILE QG 2.186 . 2.783 1.885 1.880 1.887 0.008 7 0 "[ . 1]" 1
396 1 45 THR HB 1 52 ILE MD 2.236 . 2.861 2.200 1.927 2.487 . 0 0 "[ . 1]" 1
397 1 27 ASN HA 1 52 ILE MD 2.947 . 4.033 4.020 3.861 4.146 0.113 8 0 "[ . 1]" 1
398 1 28 THR HG1 1 52 ILE MD 2.761 . 3.714 2.941 2.562 3.249 . 0 0 "[ . 1]" 1
399 1 45 THR HA 1 52 ILE MD 3.091 . 4.136 3.419 3.234 3.614 . 0 0 "[ . 1]" 1
400 1 30 LEU QB 1 52 ILE MD 2.907 . 3.964 3.598 3.553 3.643 . 0 0 "[ . 1]" 1
401 1 52 ILE MD 1 54 ILE H 3.200 . 4.480 3.793 3.656 3.883 . 0 0 "[ . 1]" 1
402 1 52 ILE MD 1 54 ILE MD 2.287 . 2.941 2.259 2.115 2.430 . 0 0 "[ . 1]" 1
403 1 52 ILE MD 1 52 ILE MG 2.262 . 2.902 1.975 1.924 2.007 . 0 0 "[ . 1]" 1
404 1 52 ILE HB 1 52 ILE MG 2.121 . 2.683 1.977 1.962 1.986 . 0 0 "[ . 1]" 1
405 1 34 LYS HB2 1 52 ILE MG 2.485 . 3.257 2.260 2.100 2.560 . 0 0 "[ . 1]" 1
406 1 34 LYS QG 1 52 ILE MG 2.635 . 3.503 3.481 3.420 3.540 0.037 5 0 "[ . 1]" 1
407 1 38 PHE QE 1 52 ILE MG 2.510 . 3.298 2.080 1.966 2.198 . 0 0 "[ . 1]" 1
408 1 52 ILE H 1 52 ILE MG 2.838 . 3.845 1.930 1.883 1.997 . 0 0 "[ . 1]" 1
409 1 34 LYS H 1 52 ILE MG 2.749 . 3.693 3.475 3.360 3.584 . 0 0 "[ . 1]" 1
410 1 52 ILE HB 1 52 ILE MD 2.809 . 3.297 3.232 3.224 3.240 . 0 0 "[ . 1]" 1
411 1 52 ILE HB 1 52 ILE MG 2.737 . 3.399 2.107 2.104 2.110 . 0 0 "[ . 1]" 1
412 1 30 LEU QB 1 52 ILE HB 3.173 . 4.431 4.486 4.471 4.508 0.077 5 0 "[ . 1]" 1
413 1 43 ILE HA 1 43 ILE MD 2.547 . 3.358 3.479 3.439 3.514 0.156 3 0 "[ . 1]" 1
414 1 38 PHE HA 1 43 ILE MD 2.567 . 3.180 2.286 2.161 2.423 . 0 0 "[ . 1]" 1
415 1 38 PHE QB 1 54 ILE MD 3.012 . 4.146 3.443 3.155 4.029 . 0 0 "[ . 1]" 1
416 1 38 PHE QD 1 54 ILE MD 2.303 . 2.966 2.641 2.446 2.990 0.024 4 0 "[ . 1]" 1
417 1 54 ILE HB 1 54 ILE MG 2.147 . 2.723 2.124 2.119 2.126 . 0 0 "[ . 1]" 1
418 1 25 ALA HA 1 54 ILE MG 2.238 . 2.864 2.311 2.074 2.723 . 0 0 "[ . 1]" 1
419 1 54 ILE MD 1 54 ILE QG . . 2.270 1.885 1.883 1.887 . 0 0 "[ . 1]" 1
420 1 54 ILE HA 1 54 ILE MG 2.503 . 3.133 2.429 2.348 2.622 . 0 0 "[ . 1]" 1
421 1 45 THR MG 1 54 ILE HA 2.542 . 3.350 2.550 2.184 2.837 . 0 0 "[ . 1]" 1
422 1 55 ILE MD 1 56 ASN H 2.989 . 4.106 3.841 3.770 3.904 . 0 0 "[ . 1]" 1
423 1 55 ILE H 1 55 ILE MD 2.836 . 3.841 3.596 3.493 3.687 . 0 0 "[ . 1]" 1
424 1 45 THR HA 1 55 ILE MD 3.034 . 4.132 4.002 3.839 4.145 0.013 6 0 "[ . 1]" 1
425 1 44 PRO HA 1 55 ILE MD 3.033 . 4.183 3.490 3.379 3.598 . 0 0 "[ . 1]" 1
426 1 44 PRO HD2 1 55 ILE MD 2.739 . 3.677 3.896 3.876 3.924 0.247 7 0 "[ . 1]" 1
427 1 46 LYS QE 1 55 ILE MD 3.085 . 4.274 3.682 2.929 4.458 0.184 3 0 "[ . 1]" 1
428 1 44 PRO QB 1 55 ILE MD 2.767 . 3.114 1.883 1.834 1.970 0.019 1 0 "[ . 1]" 1
429 1 55 ILE MD 1 55 ILE QG 2.139 . 2.469 1.886 1.883 1.888 . 0 0 "[ . 1]" 1
430 1 55 ILE HB 1 55 ILE MD 2.156 . 2.737 2.463 2.393 2.511 . 0 0 "[ . 1]" 1
431 1 55 ILE HB 1 55 ILE MG 2.048 . 2.573 2.121 2.105 2.126 . 0 0 "[ . 1]" 1
432 1 55 ILE HA 1 55 ILE MG 2.309 . 2.975 2.321 2.284 2.362 . 0 0 "[ . 1]" 1
433 1 44 PRO HA 1 55 ILE MG 3.203 . 4.486 4.141 3.992 4.292 . 0 0 "[ . 1]" 1
434 1 55 ILE H 1 55 ILE MG 2.721 . 3.646 2.439 2.366 2.500 . 0 0 "[ . 1]" 1
435 1 55 ILE MG 1 56 ASN H 2.840 . 3.848 3.873 3.829 3.909 0.061 3 0 "[ . 1]" 1
436 1 46 LYS H 1 55 ILE MG 3.148 . 4.387 3.153 2.845 3.475 . 0 0 "[ . 1]" 1
437 1 44 PRO QB 1 55 ILE MG 3.088 . 3.658 3.775 3.708 3.849 0.191 2 0 "[ . 1]" 1
438 1 45 THR HA 1 55 ILE MG 3.010 . 3.964 3.081 2.851 3.303 . 0 0 "[ . 1]" 1
439 1 55 ILE HA 1 55 ILE QG 2.802 . 3.784 3.317 3.310 3.324 . 0 0 "[ . 1]" 1
440 1 55 ILE HB 1 55 ILE HG13 2.285 . 2.938 1.992 1.973 2.003 . 0 0 "[ . 1]" 1
441 1 56 ASN HA 1 56 ASN QB 2.483 . 2.730 2.405 2.379 2.451 . 0 0 "[ . 1]" 1
442 1 56 ASN QB 1 57 ASP H 2.974 . 4.080 3.254 2.976 3.730 . 0 0 "[ . 1]" 1
443 1 25 ALA MB 1 56 ASN HB2 3.164 . 4.415 3.802 3.584 4.211 . 0 0 "[ . 1]" 1
444 1 57 ASP H 1 57 ASP QB 2.816 . 3.807 2.521 2.485 2.555 . 0 0 "[ . 1]" 1
445 1 57 ASP HA 1 57 ASP QB 2.989 . 3.812 2.238 2.181 2.375 . 0 0 "[ . 1]" 1
446 1 24 PRO HA 1 57 ASP QB 3.301 . 3.811 3.087 2.439 3.487 . 0 0 "[ . 1]" 1
447 1 58 VAL HA 1 58 VAL MG1 2.327 . 2.908 2.338 2.315 2.365 . 0 0 "[ . 1]" 1
448 1 44 PRO QD 1 58 VAL MG1 2.712 . 3.632 3.490 3.305 3.600 . 0 0 "[ . 1]" 1
449 1 58 VAL HB 1 58 VAL MG1 2.105 . 2.659 2.123 2.119 2.125 . 0 0 "[ . 1]" 1
450 1 22 VAL MG1 1 58 VAL HB 3.304 . 4.668 4.133 4.074 4.190 . 0 0 "[ . 1]" 1
451 1 22 VAL MG2 1 59 HIS HA 2.622 . 3.481 2.355 2.236 2.457 . 0 0 "[ . 1]" 1
452 1 66 LYS HA 1 66 LYS QB 2.452 . 3.147 2.380 2.350 2.416 . 0 0 "[ . 1]" 1
453 1 60 ILE HA 1 60 ILE MD 2.547 . 3.226 2.113 2.043 2.148 . 0 0 "[ . 1]" 1
454 1 60 ILE MD 1 71 GLU HA 2.618 . 3.475 3.395 3.250 3.516 0.041 6 0 "[ . 1]" 1
455 1 60 ILE HB 1 60 ILE MD 2.028 . 2.542 2.348 2.325 2.368 . 0 0 "[ . 1]" 1
456 1 60 ILE MD 1 71 GLU QG 2.846 . 3.559 1.981 1.924 2.138 0.002 1 0 "[ . 1]" 1
457 1 60 ILE HA 1 60 ILE MG 2.521 . 3.236 3.213 3.206 3.222 . 0 0 "[ . 1]" 1
458 1 60 ILE HB 1 60 ILE MG 1.970 . 2.455 2.118 2.114 2.120 . 0 0 "[ . 1]" 1
459 1 23 ILE HG13 1 60 ILE HB 2.160 . 2.743 1.964 1.919 2.016 . 0 0 "[ . 1]" 1
460 1 61 LEU HA 1 61 LEU MD2 2.415 . 3.144 1.928 1.893 1.976 . 0 0 "[ . 1]" 1
461 1 61 LEU MD2 1 65 ASP QB 2.442 . 3.187 2.604 2.492 2.790 . 0 0 "[ . 1]" 1
462 1 61 LEU MD2 1 67 VAL HA 2.641 . 3.513 2.687 2.543 2.827 . 0 0 "[ . 1]" 1
463 1 61 LEU MD2 1 65 ASP QB 2.627 . 3.154 3.198 3.150 3.249 0.095 7 0 "[ . 1]" 1
464 1 61 LEU H 1 61 LEU MD2 3.134 . 4.362 3.630 3.568 3.696 . 0 0 "[ . 1]" 1
465 1 61 LEU QB 1 61 LEU HG 2.137 . 2.708 2.272 2.256 2.284 . 0 0 "[ . 1]" 1
466 1 61 LEU HG 1 71 GLU QG 3.305 . 4.670 4.120 3.954 4.275 . 0 0 "[ . 1]" 1
467 1 61 LEU HA 1 62 LYS QD 2.487 . 3.260 2.597 2.339 3.213 . 0 0 "[ . 1]" 1
468 1 61 LEU QB 1 61 LEU MD2 2.882 . 3.267 2.432 2.414 2.456 . 0 0 "[ . 1]" 1
469 1 62 LYS QG 1 63 PRO QD 3.058 . 4.118 3.672 3.256 4.126 0.008 8 0 "[ . 1]" 1
470 1 62 LYS QE 1 62 LYS QG 3.056 . 3.836 2.333 2.130 2.798 . 0 0 "[ . 1]" 1
471 1 19 LEU HA 1 63 PRO QG 2.859 . 3.881 3.167 2.330 3.605 . 0 0 "[ . 1]" 1
472 1 34 LYS QB 1 34 LYS HD2 2.247 . 2.878 2.466 2.374 2.886 0.008 2 0 "[ . 1]" 1
473 1 63 PRO QD 1 63 PRO QG 2.940 . 3.247 1.967 1.955 1.975 . 0 0 "[ . 1]" 1
474 1 62 LYS QB 1 63 PRO QD 2.395 . 3.112 2.762 2.538 3.116 0.004 3 0 "[ . 1]" 1
475 1 20 SER HA 1 20 SER QB 2.456 . 3.210 2.321 2.176 2.407 . 0 0 "[ . 1]" 1
476 1 65 ASP HA 1 65 ASP QB 2.640 . 2.874 2.469 2.419 2.492 . 0 0 "[ . 1]" 1
477 1 14 GLY QA 1 66 LYS QG 3.009 . 4.141 2.808 2.433 3.185 . 0 0 "[ . 1]" 1
478 1 66 LYS HA 1 66 LYS QG 2.755 . 3.400 2.444 2.389 2.502 . 0 0 "[ . 1]" 1
479 1 66 LYS QE 1 66 LYS QG 2.691 . 3.516 2.280 2.139 2.819 . 0 0 "[ . 1]" 1
480 1 16 ILE MD 1 66 LYS QB 2.959 . 3.704 2.482 2.320 2.708 . 0 0 "[ . 1]" 1
481 1 67 VAL MG2 1 83 PHE QE 2.640 . 3.511 3.186 2.829 3.486 . 0 0 "[ . 1]" 1
482 1 67 VAL HA 1 67 VAL MG2 2.286 . 2.939 2.433 2.390 2.465 . 0 0 "[ . 1]" 1
483 1 67 VAL HB 1 67 VAL MG2 2.162 . 2.661 2.129 2.128 2.132 . 0 0 "[ . 1]" 1
484 1 17 ALA MB 1 67 VAL MG2 1.962 . 2.443 2.429 2.306 2.476 0.033 3 0 "[ . 1]" 1
485 1 14 GLY H 1 67 VAL MG1 2.987 . 4.102 4.038 3.817 4.129 0.027 2 0 "[ . 1]" 1
486 1 31 GLY QA 1 32 PRO QD 2.574 . 3.050 1.958 1.902 2.017 . 0 0 "[ . 1]" 1
487 1 69 ALA HA 1 69 ALA MB 2.084 . 2.627 2.124 2.121 2.126 . 0 0 "[ . 1]" 1
488 1 13 PRO QB 1 69 ALA MB 2.439 . 3.182 2.516 2.311 2.689 . 0 0 "[ . 1]" 1
489 1 41 LEU MD2 1 70 SER QB 2.711 . 3.630 2.589 2.391 2.806 . 0 0 "[ . 1]" 1
490 1 71 GLU HA 1 71 GLU QG 2.695 . 3.173 2.323 2.278 2.377 . 0 0 "[ . 1]" 1
491 1 41 LEU MD2 1 71 GLU HA 2.452 . 3.203 2.049 2.014 2.077 . 0 0 "[ . 1]" 1
492 1 41 LEU QB 1 71 GLU QG 2.723 . 3.569 3.652 3.618 3.676 0.107 9 0 "[ . 1]" 1
493 1 71 GLU HA 1 71 GLU QB 2.790 . 3.173 2.438 2.400 2.460 . 0 0 "[ . 1]" 1
494 1 13 PRO HA 1 72 ALA MB 2.432 . 3.172 2.731 2.661 2.811 . 0 0 "[ . 1]" 1
495 1 67 VAL HB 1 72 ALA MB 2.821 . 3.816 3.826 3.764 3.868 0.052 8 0 "[ . 1]" 1
496 1 67 VAL MG1 1 72 ALA MB 2.099 . 2.650 2.021 1.932 2.134 . 0 0 "[ . 1]" 1
497 1 12 ARG H 1 72 ALA MB 3.240 . 4.552 3.628 3.436 3.762 . 0 0 "[ . 1]" 1
498 1 12 ARG HA 1 72 ALA MB 2.671 . 3.563 2.750 2.549 2.904 . 0 0 "[ . 1]" 1
499 1 72 ALA HA 1 75 LEU QB 2.719 . 3.643 2.768 2.537 2.898 . 0 0 "[ . 1]" 1
500 1 72 ALA HA 1 72 ALA MB 2.200 . 2.805 2.124 2.122 2.125 . 0 0 "[ . 1]" 1
501 1 67 VAL MG1 1 72 ALA HA 2.719 . 3.643 2.573 2.478 2.754 . 0 0 "[ . 1]" 1
502 1 72 ALA HA 1 75 LEU MD1 2.734 . 3.219 2.685 2.431 3.019 . 0 0 "[ . 1]" 1
503 1 73 THR HB 1 73 THR MG 2.410 . 3.006 2.136 2.135 2.137 . 0 0 "[ . 1]" 1
504 1 74 LEU H 1 74 LEU MD1 2.804 . 3.787 3.611 3.343 3.719 . 0 0 "[ . 1]" 1
505 1 74 LEU HA 1 74 LEU MD1 2.248 . 2.879 2.105 1.985 2.182 . 0 0 "[ . 1]" 1
506 1 74 LEU MD1 1 77 MET ME 2.578 . 3.408 2.560 2.180 3.308 . 0 0 "[ . 1]" 1
507 1 74 LEU MD1 1 74 LEU HG 2.081 . 2.623 2.125 2.123 2.130 . 0 0 "[ . 1]" 1
508 1 74 LEU MD1 1 74 LEU MD2 2.071 . 2.607 2.082 2.079 2.088 . 0 0 "[ . 1]" 1
509 1 34 LYS HB3 1 74 LEU MD1 3.065 . 4.239 3.413 2.070 3.905 . 0 0 "[ . 1]" 1
510 1 37 PHE QB 1 74 LEU MD1 2.798 . 3.410 2.546 2.378 2.678 . 0 0 "[ . 1]" 1
511 1 43 ILE MD 1 74 LEU MD2 1.893 . 2.341 1.812 1.751 1.896 . 0 0 "[ . 1]" 1
512 1 74 LEU QB 1 74 LEU MD2 2.376 . 3.048 2.085 2.081 2.092 . 0 0 "[ . 1]" 1
513 1 74 LEU QB 1 74 LEU MD1 2.902 . 3.010 2.352 2.319 2.399 . 0 0 "[ . 1]" 1
514 1 74 LEU QB 1 75 LEU H 3.289 . 4.641 2.446 2.279 2.584 . 0 0 "[ . 1]" 1
515 1 75 LEU HA 1 75 LEU MD2 2.249 . 2.881 2.056 1.985 2.141 . 0 0 "[ . 1]" 1
516 1 75 LEU QB 1 75 LEU MD2 2.078 . 2.618 2.233 2.192 2.266 . 0 0 "[ . 1]" 1
517 1 75 LEU MD2 1 80 ILE H 3.127 . 4.349 4.434 4.378 4.480 0.131 8 0 "[ . 1]" 1
518 1 75 LEU H 1 75 LEU MD1 2.885 . 3.926 3.492 3.410 3.582 . 0 0 "[ . 1]" 1
519 1 75 LEU QB 1 75 LEU MD1 2.068 . 2.603 2.084 2.073 2.091 . 0 0 "[ . 1]" 1
520 1 11 ALA MB 1 75 LEU MD1 2.372 . 3.075 2.873 2.716 2.992 . 0 0 "[ . 1]" 1
521 1 75 LEU HA 1 75 LEU QB 2.350 . 3.041 2.381 2.362 2.402 . 0 0 "[ . 1]" 1
522 1 76 ASN HA 1 76 ASN QB 2.359 . 2.934 2.385 2.288 2.505 . 0 0 "[ . 1]" 1
523 1 8 GLN QE 1 76 ASN QB 2.875 . 3.908 3.187 2.483 3.600 . 0 0 "[ . 1]" 1
524 1 37 PHE QD 1 77 MET QG 3.463 . 4.962 5.036 5.001 5.065 0.103 7 0 "[ . 1]" 1
525 1 77 MET HA 1 77 MET QG 2.877 . 3.074 2.619 2.423 3.308 0.234 10 0 "[ . 1]" 1
526 1 78 LEU H 1 78 LEU QD 2.865 . 3.891 2.574 2.216 3.042 . 0 0 "[ . 1]" 1
527 1 78 LEU HA 1 78 LEU QD 2.139 . 2.711 1.877 1.795 1.948 . 0 0 "[ . 1]" 1
528 1 28 THR HB 1 78 LEU QD 2.421 . 3.154 2.492 2.322 2.609 . 0 0 "[ . 1]" 1
529 1 74 LEU MD1 1 78 LEU HG 2.774 . 3.736 3.546 3.285 3.835 0.099 6 0 "[ . 1]" 1
530 1 38 PHE QE 1 78 LEU HG 2.790 . 3.763 3.406 3.079 3.799 0.036 9 0 "[ . 1]" 1
531 1 79 ASN QB 1 79 ASN QD 3.144 . 4.379 2.321 2.138 2.681 . 0 0 "[ . 1]" 1
532 1 23 ILE HG12 1 80 ILE MD 2.071 . 2.607 2.179 2.022 2.316 . 0 0 "[ . 1]" 1
533 1 24 PRO QD 1 80 ILE MD 2.909 . 3.967 2.257 2.041 2.575 . 0 0 "[ . 1]" 1
534 1 80 ILE HB 1 80 ILE MG 2.374 . 2.956 2.123 2.118 2.128 . 0 0 "[ . 1]" 1
535 1 82 PRO HA 1 82 PRO QB 2.346 . 2.553 2.178 2.170 2.215 . 0 0 "[ . 1]" 1
536 1 21 VAL MG2 1 82 PRO HA 2.386 . 3.070 1.972 1.764 2.467 . 0 0 "[ . 1]" 1
537 1 12 ARG QB 1 12 ARG QD 2.994 . 3.484 2.444 2.122 2.650 . 0 0 "[ . 1]" 1
538 1 19 LEU QD 1 83 PHE HA 2.851 . 3.867 3.182 2.050 3.770 . 0 0 "[ . 1]" 1
539 1 85 TYR HA 1 85 TYR QB 2.500 . 2.660 2.267 2.177 2.383 . 0 0 "[ . 1]" 1
540 1 8 GLN HA 1 8 GLN QB 2.164 . 2.750 2.356 2.335 2.392 . 0 0 "[ . 1]" 1
541 1 8 GLN HA 1 9 ALA MB 2.888 . 3.931 3.974 3.951 4.000 0.069 1 0 "[ . 1]" 1
542 1 8 GLN QB 1 8 GLN QG 2.308 . 2.974 2.058 1.992 2.088 . 0 0 "[ . 1]" 1
543 1 10 PRO HA 1 10 PRO QD 2.672 . 3.564 3.278 3.204 3.375 . 0 0 "[ . 1]" 1
544 1 8 GLN QG 1 10 PRO HA 3.344 . 4.742 4.226 3.927 4.586 . 0 0 "[ . 1]" 1
545 1 10 PRO QB 1 10 PRO QG 2.092 . 2.639 1.973 1.967 1.983 . 0 0 "[ . 1]" 1
546 1 10 PRO QD 1 10 PRO QG 2.213 . 2.825 1.971 1.959 1.976 . 0 0 "[ . 1]" 1
547 1 11 ALA HA 1 82 PRO QG 2.803 . 3.785 2.979 2.490 3.557 . 0 0 "[ . 1]" 1
548 1 10 PRO HB3 1 11 ALA HA 2.971 . 4.074 3.986 3.952 4.012 . 0 0 "[ . 1]" 1
549 1 11 ALA MB 1 72 ALA HA 2.469 . 3.231 2.562 2.402 2.743 . 0 0 "[ . 1]" 1
550 1 11 ALA MB 1 82 PRO QB 2.811 . 3.799 3.642 3.262 3.811 0.012 4 0 "[ . 1]" 1
551 1 11 ALA MB 1 82 PRO QG 2.401 . 3.121 2.029 1.880 2.159 . 0 0 "[ . 1]" 1
552 1 12 ARG QD 1 14 GLY QA 2.672 . 3.564 3.512 3.185 3.647 0.083 2 0 "[ . 1]" 1
553 1 12 ARG QB 1 13 PRO HD2 2.402 . 3.123 2.673 2.631 2.702 . 0 0 "[ . 1]" 1
554 1 13 PRO QD 1 72 ALA HA 3.081 . 4.268 4.392 4.380 4.403 0.135 2 0 "[ . 1]" 1
555 1 13 PRO QD 1 13 PRO QG 2.242 . 2.870 1.972 1.969 1.975 . 0 0 "[ . 1]" 1
556 1 13 PRO QB 1 13 PRO QG 2.068 . 2.602 1.964 1.959 1.972 . 0 0 "[ . 1]" 1
557 1 13 PRO QG 1 72 ALA MB 2.954 . 3.439 3.222 3.076 3.371 . 0 0 "[ . 1]" 1
558 1 12 ARG HA 1 13 PRO HG2 3.036 . 4.188 3.299 3.284 3.325 . 0 0 "[ . 1]" 1
559 1 15 ALA HA 1 16 ILE QG 2.854 . 3.872 3.615 3.493 3.716 . 0 0 "[ . 1]" 1
560 1 16 ILE MD 1 16 ILE MG 2.371 . 3.010 1.983 1.969 2.003 . 0 0 "[ . 1]" 1
561 1 16 ILE MD 1 16 ILE QG 2.125 . 2.689 1.888 1.887 1.888 . 0 0 "[ . 1]" 1
562 1 16 ILE MD 1 66 LYS HA 2.730 . 3.510 2.536 2.325 2.774 . 0 0 "[ . 1]" 1
563 1 16 ILE HB 1 16 ILE MD 2.866 . 3.893 3.237 3.235 3.239 . 0 0 "[ . 1]" 1
564 1 16 ILE MG 1 64 GLY QA 2.324 . 2.999 2.689 2.393 2.943 . 0 0 "[ . 1]" 1
565 1 16 ILE HA 1 16 ILE MG 2.461 . 3.218 2.434 2.394 2.474 . 0 0 "[ . 1]" 1
566 1 16 ILE HB 1 16 ILE QG 2.347 . 3.036 2.185 2.182 2.187 . 0 0 "[ . 1]" 1
567 1 17 ALA MB 1 63 PRO HA 2.749 . 3.693 3.198 3.031 3.317 . 0 0 "[ . 1]" 1
568 1 17 ALA MB 1 61 LEU QB 2.745 . 3.687 1.970 1.911 2.051 . 0 0 "[ . 1]" 1
569 1 17 ALA MB 1 61 LEU MD2 2.642 . 3.515 2.256 1.999 2.393 . 0 0 "[ . 1]" 1
570 1 18 PRO HA 1 18 PRO QD 2.782 . 3.750 3.479 3.472 3.485 . 0 0 "[ . 1]" 1
571 1 18 PRO QB 1 18 PRO QG 2.058 . 2.351 1.960 1.953 1.966 . 0 0 "[ . 1]" 1
572 1 18 PRO QD 1 18 PRO QG 2.153 . 2.664 1.980 1.976 1.984 . 0 0 "[ . 1]" 1
573 1 81 SER HA 1 82 PRO QD 2.390 . 3.104 2.038 1.851 2.258 . 0 0 "[ . 1]" 1
574 1 18 PRO QB 1 19 LEU QD 2.687 . 3.590 2.721 1.807 3.086 0.014 7 0 "[ . 1]" 1
575 1 19 LEU QB 1 19 LEU HG 2.648 . 3.478 2.322 2.150 2.387 . 0 0 "[ . 1]" 1
576 1 19 LEU HA 1 63 PRO QD 2.831 . 3.833 3.687 3.156 3.903 0.070 3 0 "[ . 1]" 1
577 1 16 ILE QG 1 16 ILE MG 2.471 . 3.234 2.291 2.266 2.303 . 0 0 "[ . 1]" 1
578 1 20 SER QB 1 63 PRO QD 2.679 . 3.576 2.849 2.031 3.282 . 0 0 "[ . 1]" 1
579 1 21 VAL HA 1 21 VAL QG 2.165 . 2.751 2.136 2.118 2.143 . 0 0 "[ . 1]" 1
580 1 21 VAL HB 1 60 ILE MG 2.779 . 3.402 2.067 2.011 2.124 . 0 0 "[ . 1]" 1
581 1 21 VAL HB 1 61 LEU QB 2.883 . 3.922 1.922 1.882 2.002 0.043 2 0 "[ . 1]" 1
582 1 21 VAL MG2 1 61 LEU HG 2.392 . 2.999 3.095 3.059 3.117 0.118 9 0 "[ . 1]" 1
583 1 21 VAL MG2 1 82 PRO QB 2.618 . 3.475 2.254 2.091 2.364 . 0 0 "[ . 1]" 1
584 1 21 VAL MG2 1 82 PRO QD 3.138 . 4.369 4.274 3.963 4.382 0.013 8 0 "[ . 1]" 1
585 1 21 VAL MG1 1 82 PRO QB 2.985 . 4.099 3.270 2.831 4.051 . 0 0 "[ . 1]" 1
586 1 21 VAL MG1 1 61 LEU QB 3.043 . 4.201 3.520 3.482 3.619 . 0 0 "[ . 1]" 1
587 1 22 VAL MG1 1 57 ASP HA 2.586 . 3.422 3.310 3.203 3.458 0.036 4 0 "[ . 1]" 1
588 1 22 VAL MG1 1 23 ILE HG13 2.690 . 3.595 3.442 3.147 3.571 . 0 0 "[ . 1]" 1
589 1 23 ILE MD 1 23 ILE MG 2.124 . 2.688 1.927 1.896 1.951 . 0 0 "[ . 1]" 1
590 1 23 ILE MD 1 58 VAL MG2 2.436 . 3.178 3.186 3.145 3.235 0.057 4 0 "[ . 1]" 1
591 1 23 ILE MD 1 74 LEU MD1 2.437 . 3.180 2.741 2.644 2.876 . 0 0 "[ . 1]" 1
592 1 23 ILE MD 1 60 ILE QG 2.805 . 3.788 2.439 2.403 2.495 . 0 0 "[ . 1]" 1
593 1 23 ILE MD 1 58 VAL HB 2.847 . 3.860 2.951 2.825 3.016 . 0 0 "[ . 1]" 1
594 1 23 ILE HA 1 23 ILE MD 2.957 . 4.050 3.813 3.786 3.839 . 0 0 "[ . 1]" 1
595 1 23 ILE MG 1 58 VAL HB 2.850 . 3.865 3.590 3.523 3.736 . 0 0 "[ . 1]" 1
596 1 23 ILE QG 1 23 ILE MG 2.126 . 2.691 2.324 2.292 2.358 . 0 0 "[ . 1]" 1
597 1 23 ILE MG 1 74 LEU MD1 2.671 . 3.563 3.650 3.559 3.710 0.147 8 0 "[ . 1]" 1
598 1 23 ILE MG 1 54 ILE MD 2.108 . 2.664 2.546 2.422 2.653 . 0 0 "[ . 1]" 1
599 1 21 VAL MG1 1 23 ILE HA 2.905 . 3.960 3.982 3.894 4.024 0.064 8 0 "[ . 1]" 1
600 1 23 ILE HA 1 80 ILE MD 2.877 . 3.911 2.452 2.219 2.951 . 0 0 "[ . 1]" 1
601 1 23 ILE HA 1 23 ILE QG 2.371 . 3.074 2.381 2.351 2.424 . 0 0 "[ . 1]" 1
602 1 23 ILE HB 1 58 VAL MG2 2.729 . 3.487 2.590 2.503 2.674 . 0 0 "[ . 1]" 1
603 1 24 PRO HA 1 24 PRO QD 2.935 . 4.012 3.446 3.412 3.475 . 0 0 "[ . 1]" 1
604 1 23 ILE MG 1 24 PRO HA 2.583 . 3.417 3.470 3.436 3.495 0.078 4 0 "[ . 1]" 1
605 1 24 PRO HA 1 24 PRO QG 3.242 . 4.556 3.024 2.929 3.126 . 0 0 "[ . 1]" 1
606 1 24 PRO QB 1 24 PRO QD 2.652 . 3.531 2.757 2.715 2.786 . 0 0 "[ . 1]" 1
607 1 24 PRO HA 1 25 ALA MB 2.721 . 3.647 3.708 3.656 3.750 0.103 2 0 "[ . 1]" 1
608 1 25 ALA MB 1 55 ILE HA 2.808 . 3.794 3.027 2.865 3.317 . 0 0 "[ . 1]" 1
609 1 25 ALA MB 1 54 ILE HB 2.696 . 3.605 3.605 3.394 3.665 0.060 1 0 "[ . 1]" 1
610 1 9 ALA MB 1 10 PRO QG 2.632 . 3.498 3.467 3.403 3.518 0.020 1 0 "[ . 1]" 1
611 1 28 THR HA 1 78 LEU QD 3.054 . 4.220 3.322 2.837 4.227 0.007 6 0 "[ . 1]" 1
612 1 28 THR HB 1 30 LEU MD1 2.721 . 3.646 2.316 2.172 2.434 . 0 0 "[ . 1]" 1
613 1 30 LEU QB 1 30 LEU MD2 . . 2.830 2.298 2.276 2.310 . 0 0 "[ . 1]" 1
614 1 30 LEU MD1 1 30 LEU MD2 1.937 . 2.406 1.875 1.872 1.877 . 0 0 "[ . 1]" 1
615 1 30 LEU MD1 1 52 ILE MG 2.539 . 3.345 2.457 2.098 2.967 . 0 0 "[ . 1]" 1
616 1 30 LEU MD1 1 30 LEU MD2 2.260 . 2.898 2.083 2.079 2.085 . 0 0 "[ . 1]" 1
617 1 30 LEU MD1 1 34 LYS QB 2.611 . 3.463 2.415 2.235 2.629 . 0 0 "[ . 1]" 1
618 1 30 LEU MD1 1 77 MET QB 2.826 . 3.824 2.076 1.951 2.219 . 0 0 "[ . 1]" 1
619 1 30 LEU QB 1 30 LEU MD1 2.356 . 3.050 2.095 2.093 2.097 . 0 0 "[ . 1]" 1
620 1 28 THR HB 1 30 LEU MD1 2.925 . 3.994 2.614 2.435 2.841 . 0 0 "[ . 1]" 1
621 1 30 LEU QB 1 30 LEU HG 2.423 . 3.157 2.375 2.363 2.388 . 0 0 "[ . 1]" 1
622 1 12 ARG QG 1 13 PRO HD2 2.749 . 3.693 2.092 2.009 2.210 . 0 0 "[ . 1]" 1
623 1 68 GLY QA 1 69 ALA HA 3.297 . 4.656 3.938 3.928 3.947 . 0 0 "[ . 1]" 1
624 1 32 PRO HA 1 32 PRO QD 2.768 . 3.726 3.430 3.365 3.465 . 0 0 "[ . 1]" 1
625 1 32 PRO HA 1 32 PRO QG 2.322 . 2.996 2.998 2.907 3.044 0.048 2 0 "[ . 1]" 1
626 1 32 PRO HA 1 52 ILE MG 2.517 . 3.309 3.366 3.337 3.403 0.094 3 0 "[ . 1]" 1
627 1 32 PRO QB 1 32 PRO QD 2.418 . 3.075 2.755 2.727 2.794 . 0 0 "[ . 1]" 1
628 1 32 PRO QG 1 47 ILE MD 3.118 . 4.333 2.871 2.529 3.065 . 0 0 "[ . 1]" 1
629 1 32 PRO QB 1 47 ILE MG 3.169 . 4.424 2.890 2.508 3.357 . 0 0 "[ . 1]" 1
630 1 31 GLY QA 1 32 PRO QB 3.141 . 4.374 4.368 4.332 4.378 0.004 2 0 "[ . 1]" 1
631 1 32 PRO QB 1 33 GLU HA 3.065 . 4.239 3.899 3.755 4.161 . 0 0 "[ . 1]" 1
632 1 33 GLU QG 1 34 LYS QE 3.251 . 4.572 3.640 2.596 4.626 0.054 10 0 "[ . 1]" 1
633 1 34 LYS QE 1 77 MET ME 2.803 . 3.785 3.455 2.731 3.827 0.042 5 0 "[ . 1]" 1
634 1 34 LYS HA 1 34 LYS QE 2.964 . 3.987 3.838 2.499 4.069 0.082 6 0 "[ . 1]" 1
635 1 34 LYS HA 1 34 LYS QB 2.440 . 3.184 2.349 2.283 2.378 . 0 0 "[ . 1]" 1
636 1 34 LYS HA 1 77 MET ME 2.978 . 4.087 3.342 2.885 3.800 . 0 0 "[ . 1]" 1
637 1 34 LYS QD 1 34 LYS QG 2.081 . 2.622 2.082 2.009 2.095 . 0 0 "[ . 1]" 1
638 1 34 LYS QG 1 52 ILE MG 2.982 . 4.093 3.009 2.456 3.175 . 0 0 "[ . 1]" 1
639 1 71 GLU HA 1 74 LEU QB 2.827 . 3.826 2.523 2.427 2.712 . 0 0 "[ . 1]" 1
640 1 37 PHE QB 1 77 MET ME 3.138 . 4.369 2.288 1.948 2.733 . 0 0 "[ . 1]" 1
641 1 42 SER HA 1 42 SER QB 2.289 . 2.870 2.355 2.182 2.421 . 0 0 "[ . 1]" 1
642 1 39 GLN HA 1 39 GLN QB 2.158 . 2.740 2.434 2.421 2.461 . 0 0 "[ . 1]" 1
643 1 39 GLN HA 1 43 ILE QG 3.197 . 4.475 4.511 4.482 4.536 0.061 5 0 "[ . 1]" 1
644 1 38 PHE QB 1 39 GLN HA 3.154 . 4.397 3.885 3.831 3.932 . 0 0 "[ . 1]" 1
645 1 39 GLN HA 1 45 THR MG 3.043 . 4.201 4.180 3.968 4.245 0.044 10 0 "[ . 1]" 1
646 1 37 PHE HA 1 40 ALA MB 2.648 . 3.312 2.205 2.135 2.254 . 0 0 "[ . 1]" 1
647 1 40 ALA MB 1 41 LEU MD2 2.746 . 3.688 2.317 2.103 2.464 . 0 0 "[ . 1]" 1
648 1 41 LEU MD2 1 41 LEU HG 1.977 . 2.466 2.123 2.121 2.125 . 0 0 "[ . 1]" 1
649 1 41 LEU MD2 1 43 ILE MD 3.069 . 4.246 3.306 3.208 3.409 . 0 0 "[ . 1]" 1
650 1 41 LEU HG 1 74 LEU QB 2.821 . 3.816 3.389 3.187 3.570 . 0 0 "[ . 1]" 1
651 1 41 LEU HG 1 60 ILE MD 2.570 . 3.396 2.080 1.960 2.215 . 0 0 "[ . 1]" 1
652 1 39 GLN HA 1 41 LEU HB3 3.299 . 4.659 4.497 4.419 4.558 . 0 0 "[ . 1]" 1
653 1 43 ILE HB 1 43 ILE MD 2.689 . 3.593 2.507 2.480 2.529 . 0 0 "[ . 1]" 1
654 1 43 ILE MG 1 44 PRO QD 2.425 . 3.160 2.122 2.063 2.187 . 0 0 "[ . 1]" 1
655 1 43 ILE QG 1 43 ILE MG 2.142 . 2.715 2.412 2.397 2.425 . 0 0 "[ . 1]" 1
656 1 43 ILE MG 1 58 VAL MG2 2.034 . 2.551 1.800 1.767 1.843 . 0 0 "[ . 1]" 1
657 1 43 ILE MD 1 43 ILE MG 2.108 . 2.664 1.833 1.809 1.862 . 0 0 "[ . 1]" 1
658 1 43 ILE HA 1 43 ILE QG 2.916 . 3.018 2.247 2.231 2.261 . 0 0 "[ . 1]" 1
659 1 43 ILE HA 1 43 ILE MD 2.718 . 3.642 3.689 3.673 3.710 0.068 1 0 "[ . 1]" 1
660 1 43 ILE MD 1 44 PRO QD 3.019 . 4.159 4.173 4.125 4.207 0.048 10 0 "[ . 1]" 1
661 1 43 ILE HA 1 44 PRO HA 3.006 . 4.136 3.960 3.956 3.965 . 0 0 "[ . 1]" 1
662 1 44 PRO HA 1 44 PRO QD 2.812 . 3.741 3.489 3.483 3.498 . 0 0 "[ . 1]" 1
663 1 44 PRO HA 1 45 THR MG 3.028 . 4.174 3.809 3.699 3.937 . 0 0 "[ . 1]" 1
664 1 44 PRO HB2 1 44 PRO HD2 2.655 . 3.536 2.901 2.865 2.931 . 0 0 "[ . 1]" 1
665 1 44 PRO HD2 1 54 ILE MG 2.773 . 3.734 3.487 3.261 3.685 . 0 0 "[ . 1]" 1
666 1 44 PRO HA 1 44 PRO QG 2.903 . 3.957 3.192 3.145 3.252 . 0 0 "[ . 1]" 1
667 1 46 LYS QB 1 46 LYS QD 2.844 . 3.244 2.239 2.095 2.402 . 0 0 "[ . 1]" 1
668 1 46 LYS QB 1 46 LYS QG 2.836 . 3.748 2.076 2.066 2.085 . 0 0 "[ . 1]" 1
669 1 46 LYS QE 1 55 ILE HB 2.777 . 3.741 3.685 3.313 3.852 0.111 6 0 "[ . 1]" 1
670 1 46 LYS HA 1 47 ILE QG 2.825 . 3.823 3.571 3.488 3.655 . 0 0 "[ . 1]" 1
671 1 46 LYS HA 1 47 ILE MD 3.218 . 4.512 3.977 3.790 4.154 . 0 0 "[ . 1]" 1
672 1 47 ILE MD 1 47 ILE MG 2.288 . 2.942 1.993 1.967 2.023 . 0 0 "[ . 1]" 1
673 1 32 PRO HG2 1 47 ILE MD 2.405 . 3.128 2.394 2.144 2.581 . 0 0 "[ . 1]" 1
674 1 47 ILE HB 1 47 ILE MD 2.857 . 3.878 3.237 3.235 3.239 . 0 0 "[ . 1]" 1
675 1 47 ILE HB 1 47 ILE QG 2.417 . 3.147 2.187 2.185 2.190 . 0 0 "[ . 1]" 1
676 1 47 ILE HB 1 47 ILE MG 2.418 . 2.878 2.128 2.127 2.130 . 0 0 "[ . 1]" 1
677 1 47 ILE HA 1 47 ILE MG 2.506 . 3.249 2.370 2.347 2.405 . 0 0 "[ . 1]" 1
678 1 47 ILE MG 1 50 GLY QA 2.436 . 3.178 2.915 2.710 3.166 . 0 0 "[ . 1]" 1
679 1 47 ILE HA 1 47 ILE QG 2.735 . 3.670 3.015 2.979 3.038 . 0 0 "[ . 1]" 1
680 1 47 ILE QG 1 47 ILE MG 2.685 . 3.536 2.273 2.253 2.286 . 0 0 "[ . 1]" 1
681 1 32 PRO QB 1 47 ILE QG 3.080 . 4.266 2.685 2.402 3.017 . 0 0 "[ . 1]" 1
682 1 49 LYS HA 1 49 LYS QG 2.438 . 3.181 2.745 2.389 3.327 0.146 6 0 "[ . 1]" 1
683 1 49 LYS QE 1 49 LYS QG 2.426 . 3.147 2.345 2.225 2.393 . 0 0 "[ . 1]" 1
684 1 49 LYS QD 1 49 LYS QE 2.116 . 2.676 2.029 1.999 2.091 . 0 0 "[ . 1]" 1
685 1 32 PRO QD 1 50 GLY QA 3.074 . 4.255 3.703 3.339 3.916 . 0 0 "[ . 1]" 1
686 1 50 GLY QA 1 51 THR MG 2.966 . 4.066 3.605 3.487 3.760 . 0 0 "[ . 1]" 1
687 1 32 PRO QB 1 50 GLY QA 3.191 . 4.463 4.530 4.502 4.583 0.120 4 0 "[ . 1]" 1
688 1 29 GLY QA 1 51 THR HB 2.993 . 4.113 3.739 3.076 4.146 0.033 8 0 "[ . 1]" 1
689 1 45 THR MG 1 52 ILE MD 2.204 . 2.811 1.903 1.876 1.939 . 0 0 "[ . 1]" 1
690 1 52 ILE HA 1 52 ILE MD 2.579 . 3.410 3.162 3.035 3.288 . 0 0 "[ . 1]" 1
691 1 52 ILE QG 1 52 ILE MG 2.206 . 2.814 2.394 2.348 2.423 . 0 0 "[ . 1]" 1
692 1 35 THR HA 1 52 ILE MG 2.897 . 3.946 3.207 3.119 3.261 . 0 0 "[ . 1]" 1
693 1 32 PRO HA 1 52 ILE MG 2.845 . 3.857 2.930 2.920 2.941 . 0 0 "[ . 1]" 1
694 1 12 ARG QB 1 13 PRO HD2 2.554 . 3.370 3.413 3.260 3.469 0.099 2 0 "[ . 1]" 1
695 1 11 ALA HA 1 12 ARG QB 2.938 . 4.017 4.052 4.010 4.079 0.062 7 0 "[ . 1]" 1
696 1 54 ILE HA 1 54 ILE QG 2.516 . 3.307 2.791 2.293 3.023 . 0 0 "[ . 1]" 1
697 1 45 THR MG 1 54 ILE HA 2.627 . 3.490 2.992 2.641 3.452 . 0 0 "[ . 1]" 1
698 1 28 THR MG 1 54 ILE MD 2.094 . 2.642 2.441 1.986 2.670 0.028 6 0 "[ . 1]" 1
699 1 46 LYS QB 1 55 ILE MD 2.675 . 3.570 3.620 3.550 3.696 0.126 8 0 "[ . 1]" 1
700 1 46 LYS QG 1 55 ILE MD 2.886 . 3.927 3.447 2.262 3.969 0.042 3 0 "[ . 1]" 1
701 1 55 ILE MD 1 55 ILE MG 2.147 . 2.723 1.759 1.582 1.842 0.049 3 0 "[ . 1]" 1
702 1 55 ILE HB 1 55 ILE QG 2.473 . 3.238 2.325 2.295 2.362 . 0 0 "[ . 1]" 1
703 1 55 ILE QG 1 55 ILE MG 2.225 . 2.844 2.341 2.299 2.415 . 0 0 "[ . 1]" 1
704 1 46 LYS QB 1 55 ILE MG 2.735 . 3.670 2.534 1.996 2.910 . 0 0 "[ . 1]" 1
705 1 46 LYS QG 1 55 ILE MG 2.591 . 3.430 2.171 1.880 3.083 . 0 0 "[ . 1]" 1
706 1 54 ILE HA 1 55 ILE QG 3.094 . 4.290 3.855 3.765 3.931 . 0 0 "[ . 1]" 1
707 1 25 ALA MB 1 56 ASN QB 3.123 . 4.342 3.600 3.503 3.674 . 0 0 "[ . 1]" 1
708 1 22 VAL HB 1 57 ASP QB 3.241 . 4.554 4.512 4.375 4.597 0.043 7 0 "[ . 1]" 1
709 1 57 ASP HA 1 58 VAL MG2 2.785 . 3.755 3.291 3.135 3.441 . 0 0 "[ . 1]" 1
710 1 58 VAL HA 1 58 VAL MG2 2.661 . 2.786 2.494 2.466 2.518 . 0 0 "[ . 1]" 1
711 1 44 PRO QD 1 58 VAL MG2 2.777 . 3.741 2.462 2.275 2.553 . 0 0 "[ . 1]" 1
712 1 58 VAL HB 1 58 VAL MG2 2.255 . 2.864 2.122 2.119 2.126 . 0 0 "[ . 1]" 1
713 1 43 ILE MD 1 58 VAL MG2 2.519 . 3.312 2.043 1.974 2.126 . 0 0 "[ . 1]" 1
714 1 23 ILE HG13 1 58 VAL MG2 2.430 . 3.168 2.483 2.290 2.731 . 0 0 "[ . 1]" 1
715 1 23 ILE MG 1 58 VAL HB 2.968 . 4.069 3.328 3.284 3.402 . 0 0 "[ . 1]" 1
716 1 56 ASN QB 1 58 VAL HA 3.256 . 4.581 4.591 4.490 4.664 0.083 1 0 "[ . 1]" 1
717 1 58 VAL MG1 1 59 HIS HA 2.826 . 3.824 3.872 3.845 3.897 0.073 9 0 "[ . 1]" 1
718 1 59 HIS HA 1 62 LYS QE 3.201 . 4.482 4.512 4.391 4.577 0.095 3 0 "[ . 1]" 1
719 1 60 ILE HB 1 60 ILE QG 2.394 . 3.111 2.403 2.385 2.416 . 0 0 "[ . 1]" 1
720 1 60 ILE QG 1 60 ILE MG 2.267 . 2.909 2.108 2.096 2.119 . 0 0 "[ . 1]" 1
721 1 60 ILE MG 1 75 LEU MD2 2.488 . 2.916 1.894 1.810 2.054 . 0 0 "[ . 1]" 1
722 1 21 VAL MG1 1 60 ILE MG 2.162 . 2.746 2.202 2.115 2.307 . 0 0 "[ . 1]" 1
723 1 23 ILE QG 1 60 ILE MG 2.212 . 2.824 2.006 1.950 2.090 . 0 0 "[ . 1]" 1
724 1 60 ILE HA 1 60 ILE QG . . 2.949 2.896 2.838 2.928 . 0 0 "[ . 1]" 1
725 1 60 ILE QG 1 71 GLU QG 3.097 . 4.296 2.756 2.670 2.839 . 0 0 "[ . 1]" 1
726 1 60 ILE MD 1 74 LEU MD1 2.579 . 3.410 3.386 3.360 3.412 0.002 9 0 "[ . 1]" 1
727 1 61 LEU HG 1 82 PRO QB 2.839 . 3.846 3.651 3.485 3.905 0.059 3 0 "[ . 1]" 1
728 1 60 ILE MG 1 61 LEU HG 2.745 . 3.687 2.500 2.341 2.608 . 0 0 "[ . 1]" 1
729 1 61 LEU HG 1 75 LEU QB 3.321 . 4.699 4.835 4.760 4.900 0.201 4 0 "[ . 1]" 1
730 1 61 LEU MD2 1 71 GLU QG 2.739 . 3.677 2.763 2.588 3.040 . 0 0 "[ . 1]" 1
731 1 60 ILE MG 1 61 LEU MD2 3.001 . 4.127 3.462 3.362 3.608 . 0 0 "[ . 1]" 1
732 1 62 LYS HA 1 63 PRO QD 2.134 . 2.703 1.910 1.878 1.974 . 0 0 "[ . 1]" 1
733 1 62 LYS HA 1 62 LYS QB 2.352 . 3.043 2.316 2.179 2.465 . 0 0 "[ . 1]" 1
734 1 62 LYS HA 1 62 LYS QD 2.692 . 3.598 3.256 2.828 3.490 . 0 0 "[ . 1]" 1
735 1 62 LYS HA 1 62 LYS QG 2.606 . 3.455 2.790 2.366 3.514 0.059 2 0 "[ . 1]" 1
736 1 62 LYS QD 1 62 LYS QG 2.308 . 2.356 2.061 2.011 2.093 . 0 0 "[ . 1]" 1
737 1 63 PRO HA 1 63 PRO QB 2.402 . 3.123 2.201 2.169 2.245 . 0 0 "[ . 1]" 1
738 1 63 PRO HA 1 63 PRO QG 2.701 . 3.613 3.220 2.815 3.488 . 0 0 "[ . 1]" 1
739 1 19 LEU HA 1 63 PRO QB 3.010 . 4.142 3.503 3.079 4.091 . 0 0 "[ . 1]" 1
740 1 19 LEU HA 1 63 PRO HG2 2.978 . 4.086 3.284 2.352 3.843 . 0 0 "[ . 1]" 1
741 1 66 LYS QB 1 66 LYS QE 2.750 . 3.695 3.136 1.920 3.645 . 0 0 "[ . 1]" 1
742 1 66 LYS QB 1 66 LYS QG 2.269 . 2.912 2.084 2.081 2.087 . 0 0 "[ . 1]" 1
743 1 17 ALA HA 1 67 VAL MG2 2.783 . 3.751 2.828 2.706 2.955 . 0 0 "[ . 1]" 1
744 1 16 ILE HA 1 67 VAL MG2 2.686 . 3.588 3.636 3.537 3.689 0.101 5 0 "[ . 1]" 1
745 1 66 LYS HA 1 67 VAL HB 3.059 . 4.229 4.341 4.287 4.384 0.155 8 0 "[ . 1]" 1
746 1 13 PRO HA 1 67 VAL MG1 2.382 . 3.091 2.953 2.515 3.106 0.015 3 0 "[ . 1]" 1
747 1 31 GLY QA 1 32 PRO QG 3.115 . 4.328 3.583 3.501 3.676 . 0 0 "[ . 1]" 1
748 1 31 GLY QA 1 51 THR MG 3.144 . 4.380 2.985 2.714 3.648 . 0 0 "[ . 1]" 1
749 1 31 GLY QA 1 51 THR HA 3.355 . 4.762 2.627 2.354 3.342 . 0 0 "[ . 1]" 1
750 1 13 PRO QB 1 69 ALA MB 2.638 . 3.508 2.777 2.572 3.057 . 0 0 "[ . 1]" 1
751 1 13 PRO QG 1 69 ALA MB 2.567 . 3.390 2.885 2.617 3.069 . 0 0 "[ . 1]" 1
752 1 41 LEU MD2 1 71 GLU HG2 3.181 . 4.446 3.105 3.034 3.201 . 0 0 "[ . 1]" 1
753 1 12 ARG QB 1 72 ALA MB 2.727 . 3.656 3.000 2.743 3.118 . 0 0 "[ . 1]" 1
754 1 11 ALA HA 1 72 ALA MB 2.918 . 3.982 3.984 3.882 4.063 0.081 6 0 "[ . 1]" 1
755 1 73 THR HA 1 76 ASN QB 2.664 . 3.551 2.415 2.181 2.642 . 0 0 "[ . 1]" 1
756 1 73 THR HA 1 73 THR MG 2.312 . 2.980 2.355 2.319 2.378 . 0 0 "[ . 1]" 1
757 1 74 LEU MD1 1 74 LEU MD2 2.004 . 2.506 1.873 1.871 1.878 . 0 0 "[ . 1]" 1
758 1 74 LEU MD1 1 77 MET QB 2.703 . 3.616 3.260 2.702 3.851 0.235 10 0 "[ . 1]" 1
759 1 38 PHE HA 1 74 LEU MD1 2.649 . 3.526 2.879 2.663 3.163 . 0 0 "[ . 1]" 1
760 1 74 LEU HA 1 74 LEU MD2 2.904 . 3.959 3.866 3.810 3.916 . 0 0 "[ . 1]" 1
761 1 38 PHE HA 1 74 LEU MD2 2.973 . 4.078 2.508 2.147 2.714 . 0 0 "[ . 1]" 1
762 1 23 ILE MD 1 74 LEU MD2 2.671 . 3.563 2.127 2.060 2.220 . 0 0 "[ . 1]" 1
763 1 74 LEU QB 1 74 LEU HG 2.512 . 3.301 2.344 2.319 2.370 . 0 0 "[ . 1]" 1
764 1 75 LEU MD2 1 75 LEU HG 2.108 . 2.663 2.127 2.123 2.130 . 0 0 "[ . 1]" 1
765 1 75 LEU MD2 1 80 ILE MD 2.454 . 3.207 3.038 2.595 3.210 0.003 4 0 "[ . 1]" 1
766 1 75 LEU MD2 1 78 LEU QB 2.993 . 4.113 3.246 3.063 3.432 . 0 0 "[ . 1]" 1
767 1 75 LEU MD1 1 82 PRO QB 2.794 . 3.770 2.242 1.893 2.867 . 0 0 "[ . 1]" 1
768 1 60 ILE QG 1 75 LEU MD1 2.694 . 3.601 2.799 2.603 2.955 . 0 0 "[ . 1]" 1
769 1 75 LEU MD1 1 75 LEU MD2 2.377 . 3.083 2.086 2.076 2.094 . 0 0 "[ . 1]" 1
770 1 60 ILE MG 1 75 LEU MD1 2.848 . 3.862 3.195 2.919 3.453 . 0 0 "[ . 1]" 1
771 1 21 VAL MG2 1 75 LEU MD1 2.921 . 3.988 2.865 2.775 2.951 . 0 0 "[ . 1]" 1
772 1 75 LEU QB 1 75 LEU HG 2.629 . 3.493 2.391 2.370 2.406 . 0 0 "[ . 1]" 1
773 1 75 LEU HA 1 78 LEU QB 2.715 . 3.636 2.249 2.143 2.346 . 0 0 "[ . 1]" 1
774 1 77 MET HA 1 77 MET QB 2.066 . 2.599 2.320 2.173 2.414 . 0 0 "[ . 1]" 1
775 1 76 ASN QB 1 77 MET HA 3.099 . 4.299 4.063 3.807 4.306 0.007 10 0 "[ . 1]" 1
776 1 30 LEU MD2 1 77 MET QB 2.948 . 4.034 2.366 2.079 2.848 . 0 0 "[ . 1]" 1
777 1 76 ASN QB 1 77 MET QB 3.176 . 4.437 4.402 4.182 4.482 0.045 1 0 "[ . 1]" 1
778 1 54 ILE MD 1 78 LEU QD 2.756 . 3.706 2.221 1.934 2.691 . 0 0 "[ . 1]" 1
779 1 78 LEU QB 1 78 LEU QD 2.315 . 2.985 2.035 2.006 2.045 . 0 0 "[ . 1]" 1
780 1 74 LEU HA 1 78 LEU QD 2.673 . 3.566 3.115 1.731 3.492 0.049 6 0 "[ . 1]" 1
781 1 78 LEU QD 1 78 LEU HG 1.982 . 2.473 1.895 1.875 1.899 . 0 0 "[ . 1]" 1
782 1 77 MET QB 1 78 LEU QD 2.909 . 3.967 2.918 2.521 3.972 0.005 9 0 "[ . 1]" 1
783 1 34 LYS HB3 1 78 LEU QD 2.883 . 3.922 3.686 2.461 4.036 0.114 1 0 "[ . 1]" 1
784 1 78 LEU QB 1 78 LEU HG 2.359 . 3.055 2.160 2.119 2.170 . 0 0 "[ . 1]" 1
785 1 23 ILE MG 1 78 LEU HG 2.364 . 3.063 2.623 2.255 2.774 . 0 0 "[ . 1]" 1
786 1 78 LEU HG 1 80 ILE MD 2.313 . 2.981 2.895 2.558 3.038 0.057 9 0 "[ . 1]" 1
787 1 23 ILE MD 1 78 LEU HG 2.356 . 3.050 2.765 2.561 3.082 0.032 6 0 "[ . 1]" 1
788 1 78 LEU HA 1 78 LEU QB 2.275 . 2.922 2.504 2.427 2.536 . 0 0 "[ . 1]" 1
789 1 78 LEU QB 1 80 ILE MD 3.259 . 3.600 2.433 2.018 3.338 . 0 0 "[ . 1]" 1
790 1 80 ILE HB 1 80 ILE MD 2.680 . 3.276 2.394 2.302 2.437 . 0 0 "[ . 1]" 1
791 1 80 ILE HB 1 80 ILE QG 2.565 . 3.387 2.381 2.361 2.421 . 0 0 "[ . 1]" 1
792 1 75 LEU MD2 1 80 ILE HB 2.851 . 3.867 3.128 2.744 3.906 0.039 9 0 "[ . 1]" 1
793 1 80 ILE HA 1 80 ILE MG 2.506 . 3.141 2.678 2.430 3.193 0.052 10 0 "[ . 1]" 1
794 1 80 ILE QG 1 80 ILE MG 2.058 . 2.588 2.296 2.250 2.326 . 0 0 "[ . 1]" 1
795 1 75 LEU MD2 1 80 ILE MG 2.367 . 3.068 2.678 1.811 3.065 . 0 0 "[ . 1]" 1
796 1 21 VAL MG1 1 80 ILE MG 2.350 . 3.040 1.982 1.749 2.203 . 0 0 "[ . 1]" 1
797 1 80 ILE MD 1 80 ILE MG 2.392 . 2.733 1.945 1.896 2.044 . 0 0 "[ . 1]" 1
798 1 78 LEU QB 1 80 ILE MG 2.865 . 3.891 3.560 2.508 3.997 0.106 2 0 "[ . 1]" 1
799 1 80 ILE MD 1 80 ILE QG 1.952 . 2.428 1.889 1.888 1.889 . 0 0 "[ . 1]" 1
800 1 80 ILE HA 1 80 ILE MD 2.862 . 3.886 3.773 3.638 3.819 . 0 0 "[ . 1]" 1
801 1 80 ILE HA 1 80 ILE QG 2.382 . 3.091 2.325 2.186 2.374 . 0 0 "[ . 1]" 1
802 1 81 SER HA 1 81 SER QB 2.530 . 3.330 2.348 2.256 2.412 . 0 0 "[ . 1]" 1
803 1 80 ILE MG 1 81 SER HA 2.969 . 4.071 3.880 3.792 4.012 . 0 0 "[ . 1]" 1
804 1 82 PRO QB 1 82 PRO QD 3.024 . 3.558 2.839 2.671 2.963 . 0 0 "[ . 1]" 1
805 1 82 PRO HA 1 82 PRO QD 2.902 . 3.955 3.471 3.410 3.529 . 0 0 "[ . 1]" 1
806 1 80 ILE MG 1 82 PRO HA 2.930 . 4.003 3.623 3.115 3.988 . 0 0 "[ . 1]" 1
807 1 82 PRO HA 1 82 PRO QG 2.603 . 3.450 3.417 2.943 3.522 0.072 8 0 "[ . 1]" 1
808 1 83 PHE HA 1 83 PHE QB 2.275 . 2.922 2.371 2.350 2.395 . 0 0 "[ . 1]" 1
809 1 18 PRO QD 1 83 PHE HA 3.154 . 4.397 3.232 2.857 3.611 . 0 0 "[ . 1]" 1
810 1 84 SER HA 1 84 SER QB 2.148 . 2.725 2.314 2.185 2.390 . 0 0 "[ . 1]" 1
811 1 83 PHE QB 1 84 SER HA 2.822 . 3.818 3.986 3.779 4.148 0.330 2 0 "[ . 1]" 1
812 1 9 ALA MB 1 84 SER HA 2.808 . 3.794 3.851 3.773 3.922 0.128 4 0 "[ . 1]" 1
813 1 9 ALA MB 1 85 TYR HA 3.110 . 4.319 3.855 2.911 4.276 . 0 0 "[ . 1]" 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 203
_Distance_constraint_stats_list.Viol_count 177
_Distance_constraint_stats_list.Viol_total 126.023
_Distance_constraint_stats_list.Viol_max 0.241
_Distance_constraint_stats_list.Viol_rms 0.0251
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0062
_Distance_constraint_stats_list.Viol_average_violations_only 0.0712
_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 5 ASN 0.800 0.182 10 0 "[ . 1]"
1 7 VAL 1.247 0.182 10 0 "[ . 1]"
1 8 GLN 0.070 0.061 4 0 "[ . 1]"
1 9 ALA 0.000 0.000 . 0 "[ . 1]"
1 10 PRO 0.000 0.000 . 0 "[ . 1]"
1 11 ALA 0.000 0.000 . 0 "[ . 1]"
1 12 ARG 0.000 0.000 . 0 "[ . 1]"
1 13 PRO 0.000 0.000 . 0 "[ . 1]"
1 14 GLY 0.000 0.000 . 0 "[ . 1]"
1 15 ALA 0.000 0.000 . 0 "[ . 1]"
1 16 ILE 0.000 0.000 . 0 "[ . 1]"
1 17 ALA 0.000 0.000 . 0 "[ . 1]"
1 18 PRO 0.000 0.000 . 0 "[ . 1]"
1 19 LEU 0.000 0.000 . 0 "[ . 1]"
1 20 SER 0.199 0.044 10 0 "[ . 1]"
1 21 VAL 0.989 0.108 4 0 "[ . 1]"
1 22 VAL 2.271 0.152 1 0 "[ . 1]"
1 23 ILE 0.223 0.058 6 0 "[ . 1]"
1 24 PRO 0.288 0.182 8 0 "[ . 1]"
1 25 ALA 0.236 0.053 7 0 "[ . 1]"
1 26 HIS 0.280 0.182 8 0 "[ . 1]"
1 27 ASN 0.000 0.000 . 0 "[ . 1]"
1 28 THR 0.051 0.041 3 0 "[ . 1]"
1 29 GLY 0.080 0.041 3 0 "[ . 1]"
1 30 LEU 0.062 0.023 2 0 "[ . 1]"
1 31 GLY 0.000 0.000 . 0 "[ . 1]"
1 32 PRO 0.000 0.000 . 0 "[ . 1]"
1 33 GLU 0.000 0.000 . 0 "[ . 1]"
1 34 LYS 0.726 0.098 3 0 "[ . 1]"
1 35 THR 0.726 0.098 3 0 "[ . 1]"
1 36 SER 0.000 0.000 . 0 "[ . 1]"
1 37 PHE 0.061 0.025 10 0 "[ . 1]"
1 38 PHE 1.047 0.126 8 0 "[ . 1]"
1 39 GLN 1.107 0.126 8 0 "[ . 1]"
1 40 ALA 0.788 0.101 4 0 "[ . 1]"
1 41 LEU 0.009 0.009 10 0 "[ . 1]"
1 42 SER 0.000 0.000 . 0 "[ . 1]"
1 43 ILE 0.788 0.101 4 0 "[ . 1]"
1 44 PRO 0.000 0.000 . 0 "[ . 1]"
1 45 THR 0.000 0.000 . 0 "[ . 1]"
1 46 LYS 0.000 0.000 . 0 "[ . 1]"
1 47 ILE 0.167 0.069 7 0 "[ . 1]"
1 48 SER 0.000 0.000 . 0 "[ . 1]"
1 49 LYS 0.000 0.000 . 0 "[ . 1]"
1 50 GLY 0.000 0.000 . 0 "[ . 1]"
1 51 THR 0.308 0.078 4 0 "[ . 1]"
1 52 ILE 0.113 0.078 4 0 "[ . 1]"
1 53 GLU 0.000 0.000 . 0 "[ . 1]"
1 54 ILE 0.000 0.000 . 0 "[ . 1]"
1 55 ILE 1.612 0.147 7 0 "[ . 1]"
1 56 ASN 1.108 0.147 7 0 "[ . 1]"
1 57 ASP 0.053 0.045 9 0 "[ . 1]"
1 58 VAL 0.191 0.053 7 0 "[ . 1]"
1 59 HIS 0.000 0.000 . 0 "[ . 1]"
1 60 ILE 0.121 0.033 10 0 "[ . 1]"
1 61 LEU 0.959 0.149 9 0 "[ . 1]"
1 62 LYS 0.959 0.149 9 0 "[ . 1]"
1 63 PRO 0.000 0.000 . 0 "[ . 1]"
1 64 GLY 0.000 0.000 . 0 "[ . 1]"
1 65 ASP 0.000 0.000 . 0 "[ . 1]"
1 66 LYS 0.000 0.000 . 0 "[ . 1]"
1 67 VAL 0.000 0.000 . 0 "[ . 1]"
1 68 GLY 0.000 0.000 . 0 "[ . 1]"
1 71 GLU 0.009 0.009 10 0 "[ . 1]"
1 72 ALA 0.000 0.000 . 0 "[ . 1]"
1 73 THR 0.000 0.000 . 0 "[ . 1]"
1 74 LEU 0.000 0.000 . 0 "[ . 1]"
1 75 LEU 0.740 0.241 6 0 "[ . 1]"
1 76 ASN 1.775 0.210 7 0 "[ . 1]"
1 77 MET 1.775 0.210 7 0 "[ . 1]"
1 78 LEU 0.963 0.241 6 0 "[ . 1]"
1 79 ASN 0.000 0.000 . 0 "[ . 1]"
1 80 ILE 0.000 0.000 . 0 "[ . 1]"
1 81 SER 0.000 0.000 . 0 "[ . 1]"
1 82 PRO 0.000 0.000 . 0 "[ . 1]"
1 83 PHE 0.000 0.000 . 0 "[ . 1]"
1 84 SER 0.000 0.000 . 0 "[ . 1]"
1 85 TYR 0.195 0.074 2 0 "[ . 1]"
1 86 GLY 0.146 0.097 10 0 "[ . 1]"
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 5 ASN H 1 7 VAL HA 3.170 . 4.426 4.469 4.225 4.608 0.182 10 0 "[ . 1]" 2
2 1 7 VAL HA 1 8 GLN H 2.743 . 3.494 3.150 2.273 3.555 0.061 4 0 "[ . 1]" 2
3 1 8 GLN HA 1 9 ALA H 2.623 . 3.483 2.152 2.086 2.244 . 0 0 "[ . 1]" 2
4 1 10 PRO HA 1 11 ALA H 2.687 . 3.167 2.303 2.171 2.464 . 0 0 "[ . 1]" 2
5 1 12 ARG H 1 12 ARG HA 2.773 . 3.734 2.923 2.918 2.929 . 0 0 "[ . 1]" 2
6 1 11 ALA HA 1 12 ARG H 2.513 . 3.134 2.147 2.124 2.163 . 0 0 "[ . 1]" 2
7 1 13 PRO HA 1 14 GLY H 3.100 . 4.301 2.140 2.120 2.194 . 0 0 "[ . 1]" 2
8 1 14 GLY H 1 15 ALA H 3.765 . 4.654 2.357 2.160 2.550 . 0 0 "[ . 1]" 2
9 1 15 ALA H 1 67 VAL HB 3.126 . 4.348 3.177 2.914 3.404 . 0 0 "[ . 1]" 2
10 1 16 ILE H 1 16 ILE HB 2.395 . 3.112 2.479 2.432 2.546 . 0 0 "[ . 1]" 2
11 1 15 ALA HA 1 16 ILE H 2.275 . 2.886 2.259 2.208 2.310 . 0 0 "[ . 1]" 2
12 1 16 ILE HA 1 17 ALA H 2.634 . 3.502 2.153 2.115 2.226 . 0 0 "[ . 1]" 2
13 1 17 ALA HA 1 19 LEU H 3.645 . 5.306 3.802 3.639 3.987 . 0 0 "[ . 1]" 2
14 1 20 SER H 1 21 VAL HA 3.385 . 4.817 4.837 4.819 4.861 0.044 10 0 "[ . 1]" 2
15 1 20 SER H 1 21 VAL H 3.178 . 4.440 3.846 3.742 3.955 . 0 0 "[ . 1]" 2
16 1 21 VAL H 1 61 LEU H 3.139 . 4.371 3.364 3.251 3.511 . 0 0 "[ . 1]" 2
17 1 20 SER HA 1 21 VAL H 2.420 . 3.119 2.294 2.256 2.368 . 0 0 "[ . 1]" 2
18 1 21 VAL H 1 21 VAL HB 2.844 . 3.855 2.659 2.625 2.703 . 0 0 "[ . 1]" 2
19 1 22 VAL H 1 22 VAL HA 2.985 . 4.099 2.933 2.929 2.935 . 0 0 "[ . 1]" 2
20 1 21 VAL HA 1 22 VAL H 2.231 . 2.853 2.137 2.110 2.157 . 0 0 "[ . 1]" 2
21 1 22 VAL H 1 22 VAL HB 2.597 . 3.440 2.543 2.525 2.568 . 0 0 "[ . 1]" 2
22 1 22 VAL H 1 22 VAL MG1 2.705 . 3.620 3.756 3.745 3.772 0.152 1 0 "[ . 1]" 2
23 1 22 VAL HA 1 23 ILE H 2.427 . 3.160 2.149 2.137 2.166 . 0 0 "[ . 1]" 2
24 1 23 ILE H 1 23 ILE HB 2.747 . 3.690 2.479 2.447 2.552 . 0 0 "[ . 1]" 2
25 1 23 ILE H 1 23 ILE HG13 2.944 . 3.756 2.425 2.222 2.578 . 0 0 "[ . 1]" 2
26 1 25 ALA H 1 25 ALA HA 2.838 . 3.845 2.849 2.830 2.887 . 0 0 "[ . 1]" 2
27 1 24 PRO HA 1 25 ALA H 2.233 . 2.856 2.084 2.035 2.124 . 0 0 "[ . 1]" 2
28 1 25 ALA H 1 57 ASP HA 2.604 . 3.452 3.016 2.871 3.188 . 0 0 "[ . 1]" 2
29 1 25 ALA H 1 57 ASP H 3.217 . 4.511 4.165 3.865 4.556 0.045 9 0 "[ . 1]" 2
30 1 24 PRO HA 1 26 HIS H 3.490 . 5.012 4.979 4.767 5.194 0.182 8 0 "[ . 1]" 2
31 1 26 HIS H 1 26 HIS HA 2.643 . 3.516 2.839 2.786 2.893 . 0 0 "[ . 1]" 2
32 1 26 HIS H 1 54 ILE H 2.906 . 3.962 2.818 2.569 3.388 . 0 0 "[ . 1]" 2
33 1 25 ALA HA 1 26 HIS H 2.309 . 2.976 2.305 2.226 2.413 . 0 0 "[ . 1]" 2
34 1 28 THR H 1 28 THR HG1 2.762 . 3.715 2.513 2.193 2.992 . 0 0 "[ . 1]" 2
35 1 28 THR H 1 29 GLY H 2.866 . 3.893 2.251 1.921 2.425 0.041 3 0 "[ . 1]" 2
36 1 28 THR H 1 53 GLU HA 2.763 . 3.717 3.096 2.749 3.485 . 0 0 "[ . 1]" 2
37 1 28 THR H 1 28 THR HA 2.894 . 3.941 2.919 2.891 2.951 . 0 0 "[ . 1]" 2
38 1 27 ASN HA 1 28 THR H 2.587 . 3.424 2.179 2.126 2.276 . 0 0 "[ . 1]" 2
39 1 29 GLY H 1 51 THR HG1 3.666 . 5.346 4.828 3.730 5.365 0.019 4 0 "[ . 1]" 2
40 1 30 LEU H 1 30 LEU HG 2.637 . 3.506 2.635 2.360 2.894 . 0 0 "[ . 1]" 2
41 1 28 THR HG1 1 30 LEU H 2.984 . 4.097 3.213 2.794 3.619 . 0 0 "[ . 1]" 2
42 1 30 LEU HA 1 31 GLY H 2.283 . 2.935 2.270 2.235 2.299 . 0 0 "[ . 1]" 2
43 1 31 GLY H 1 34 LYS H 3.321 . 4.700 4.457 4.357 4.673 . 0 0 "[ . 1]" 2
44 1 33 GLU H 1 34 LYS H 3.440 . 4.919 2.565 2.184 2.810 . 0 0 "[ . 1]" 2
45 1 32 PRO HA 1 33 GLU H 3.610 . 5.239 3.412 3.213 3.509 . 0 0 "[ . 1]" 2
46 1 34 LYS H 1 34 LYS HB2 2.494 . 3.272 2.525 2.462 2.712 . 0 0 "[ . 1]" 2
47 1 32 PRO HA 1 34 LYS H 3.139 . 4.371 3.889 3.803 3.997 . 0 0 "[ . 1]" 2
48 1 34 LYS H 1 34 LYS HA 2.598 . 3.441 2.849 2.831 2.866 . 0 0 "[ . 1]" 2
49 1 35 THR H 1 35 THR HB 2.669 . 3.559 2.470 2.387 2.548 . 0 0 "[ . 1]" 2
50 1 33 GLU HA 1 35 THR H 3.200 . 4.480 3.630 3.476 3.820 . 0 0 "[ . 1]" 2
51 1 34 LYS HA 1 35 THR H 2.471 . 3.234 3.307 3.265 3.332 0.098 3 0 "[ . 1]" 2
52 1 35 THR H 1 35 THR HA 2.496 . 3.275 2.836 2.822 2.846 . 0 0 "[ . 1]" 2
53 1 35 THR H 1 38 PHE H 3.501 . 5.033 4.717 4.694 4.742 . 0 0 "[ . 1]" 2
54 1 37 PHE H 1 39 GLN H 3.402 . 4.848 4.085 4.039 4.107 . 0 0 "[ . 1]" 2
55 1 37 PHE H 1 38 PHE H 2.572 . 3.399 2.520 2.469 2.590 . 0 0 "[ . 1]" 2
56 1 34 LYS HA 1 37 PHE H 2.656 . 3.345 3.209 3.104 3.340 . 0 0 "[ . 1]" 2
57 1 37 PHE H 1 37 PHE HA 2.530 . 3.330 2.858 2.846 2.869 . 0 0 "[ . 1]" 2
58 1 37 PHE H 1 39 GLN HB2 3.492 . 5.017 4.996 4.920 5.042 0.025 10 0 "[ . 1]" 2
59 1 38 PHE H 1 38 PHE HA 2.688 . 3.591 2.814 2.810 2.818 . 0 0 "[ . 1]" 2
60 1 38 PHE H 1 39 GLN HB2 3.240 . 4.552 4.657 4.634 4.678 0.126 8 0 "[ . 1]" 2
61 1 39 GLN H 1 39 GLN HB2 2.349 . 3.039 2.291 2.255 2.328 . 0 0 "[ . 1]" 2
62 1 39 GLN H 1 39 GLN HA 2.428 . 3.165 2.822 2.811 2.836 . 0 0 "[ . 1]" 2
63 1 38 PHE H 1 39 GLN H 2.448 . 3.197 2.723 2.702 2.744 . 0 0 "[ . 1]" 2
64 1 39 GLN H 1 41 LEU H 3.473 . 4.981 4.193 4.061 4.258 . 0 0 "[ . 1]" 2
65 1 39 GLN H 1 40 ALA H 2.687 . 3.590 2.600 2.541 2.620 . 0 0 "[ . 1]" 2
66 1 40 ALA H 1 41 LEU H 2.650 . 3.527 2.646 2.551 2.714 . 0 0 "[ . 1]" 2
67 1 39 GLN HB2 1 40 ALA H 2.500 . 3.281 2.900 2.825 2.978 . 0 0 "[ . 1]" 2
68 1 37 PHE H 1 40 ALA H 3.405 . 4.854 4.358 4.297 4.393 . 0 0 "[ . 1]" 2
69 1 40 ALA H 1 43 ILE H 3.258 . 4.585 4.664 4.644 4.686 0.101 4 0 "[ . 1]" 2
70 1 41 LEU H 1 42 SER H 2.391 . 3.106 2.739 2.624 2.878 . 0 0 "[ . 1]" 2
71 1 41 LEU H 1 43 ILE H 3.216 . 4.462 3.863 3.748 3.963 . 0 0 "[ . 1]" 2
72 1 41 LEU H 1 41 LEU HA 2.750 . 3.695 2.915 2.900 2.926 . 0 0 "[ . 1]" 2
73 1 42 SER H 1 43 ILE H 2.706 . 3.518 2.844 2.754 2.947 . 0 0 "[ . 1]" 2
74 1 41 LEU HA 1 42 SER H 2.846 . 3.859 2.983 2.883 3.036 . 0 0 "[ . 1]" 2
75 1 42 SER H 1 42 SER HA 2.148 . 2.725 2.261 2.255 2.267 . 0 0 "[ . 1]" 2
76 1 43 ILE H 1 43 ILE HA 2.793 . 3.768 2.934 2.921 2.944 . 0 0 "[ . 1]" 2
77 1 42 SER HA 1 43 ILE H 2.488 . 3.262 2.677 2.557 2.786 . 0 0 "[ . 1]" 2
78 1 43 ILE H 1 43 ILE HB 2.409 . 3.134 2.462 2.432 2.493 . 0 0 "[ . 1]" 2
79 1 45 THR H 1 45 THR HA 2.955 . 3.970 2.941 2.935 2.945 . 0 0 "[ . 1]" 2
80 1 44 PRO HA 1 45 THR H 2.108 . 2.664 2.174 2.163 2.188 . 0 0 "[ . 1]" 2
81 1 45 THR H 1 45 THR HB 3.021 . 4.162 3.767 3.729 3.807 . 0 0 "[ . 1]" 2
82 1 45 THR HA 1 46 LYS H 2.480 . 3.176 2.289 2.174 2.401 . 0 0 "[ . 1]" 2
83 1 45 THR HB 1 46 LYS H 2.481 . 3.250 2.606 2.229 2.904 . 0 0 "[ . 1]" 2
84 1 46 LYS H 1 46 LYS HA 2.876 . 3.910 2.897 2.844 2.922 . 0 0 "[ . 1]" 2
85 1 46 LYS H 1 53 GLU H 3.188 . 4.415 3.128 2.955 3.352 . 0 0 "[ . 1]" 2
86 1 46 LYS H 1 55 ILE H 3.615 . 5.249 4.472 4.226 4.739 . 0 0 "[ . 1]" 2
87 1 45 THR H 1 46 LYS H 3.552 . 5.129 4.445 4.406 4.467 . 0 0 "[ . 1]" 2
88 1 46 LYS HA 1 47 ILE H 2.294 . 2.952 2.281 2.186 2.442 . 0 0 "[ . 1]" 2
89 1 48 SER H 1 51 THR H 2.983 . 4.095 3.533 3.049 3.990 . 0 0 "[ . 1]" 2
90 1 47 ILE HA 1 48 SER H 2.311 . 2.979 2.137 2.111 2.156 . 0 0 "[ . 1]" 2
91 1 47 ILE HB 1 48 SER H 3.314 . 4.687 4.229 4.084 4.351 . 0 0 "[ . 1]" 2
92 1 50 GLY H 1 51 THR H 2.929 . 3.809 2.306 1.876 2.709 . 0 0 "[ . 1]" 2
93 1 49 LYS HA 1 50 GLY H 2.787 . 3.758 2.921 2.270 3.559 . 0 0 "[ . 1]" 2
94 1 49 LYS H 1 50 GLY H 3.560 . 5.144 2.913 2.340 3.398 . 0 0 "[ . 1]" 2
95 1 51 THR H 1 51 THR HG1 3.090 . 4.283 3.059 1.979 3.625 . 0 0 "[ . 1]" 2
96 1 47 ILE HA 1 51 THR H 3.227 . 4.529 4.470 4.176 4.598 0.069 7 0 "[ . 1]" 2
97 1 51 THR H 1 52 ILE H 3.646 . 5.308 4.407 4.358 4.436 . 0 0 "[ . 1]" 2
98 1 52 ILE H 1 52 ILE HB 2.635 . 3.503 2.741 2.674 2.796 . 0 0 "[ . 1]" 2
99 1 51 THR HB 1 52 ILE H 2.794 . 3.733 2.707 2.614 2.792 . 0 0 "[ . 1]" 2
100 1 51 THR HA 1 52 ILE H 2.762 . 3.293 2.300 2.272 2.334 . 0 0 "[ . 1]" 2
101 1 28 THR HG1 1 52 ILE H 3.373 . 4.795 4.184 3.723 4.766 . 0 0 "[ . 1]" 2
102 1 51 THR HG1 1 52 ILE H 3.435 . 4.910 4.632 4.045 4.988 0.078 4 0 "[ . 1]" 2
103 1 30 LEU H 1 52 ILE H 3.542 . 5.110 3.996 3.747 4.202 . 0 0 "[ . 1]" 2
104 1 47 ILE HA 1 53 GLU H 3.092 . 4.287 2.947 2.714 3.181 . 0 0 "[ . 1]" 2
105 1 52 ILE HA 1 53 GLU H 2.494 . 3.272 2.138 2.120 2.152 . 0 0 "[ . 1]" 2
106 1 53 GLU HA 1 54 ILE H 2.564 . 3.386 2.238 2.182 2.317 . 0 0 "[ . 1]" 2
107 1 55 ILE H 1 56 ASN H 2.739 . 3.650 2.252 2.197 2.293 . 0 0 "[ . 1]" 2
108 1 45 THR HA 1 55 ILE H 2.971 . 3.816 3.196 2.974 3.458 . 0 0 "[ . 1]" 2
109 1 54 ILE HA 1 55 ILE H 2.433 . 3.173 2.215 2.180 2.247 . 0 0 "[ . 1]" 2
110 1 56 ASN H 1 56 ASN HA 2.769 . 3.727 2.948 2.942 2.952 . 0 0 "[ . 1]" 2
111 1 55 ILE HA 1 56 ASN H 2.837 . 3.843 3.501 3.490 3.516 . 0 0 "[ . 1]" 2
112 1 55 ILE HB 1 56 ASN H 2.729 . 3.660 3.771 3.730 3.807 0.147 7 0 "[ . 1]" 2
113 1 58 VAL H 1 58 VAL HA 2.926 . 3.996 2.914 2.893 2.933 . 0 0 "[ . 1]" 2
114 1 57 ASP HA 1 58 VAL H 2.368 . 3.069 2.121 2.102 2.138 . 0 0 "[ . 1]" 2
115 1 25 ALA H 1 58 VAL H 3.343 . 4.740 4.756 4.710 4.793 0.053 7 0 "[ . 1]" 2
116 1 60 ILE H 1 61 LEU H 3.306 . 4.630 2.725 2.616 2.817 . 0 0 "[ . 1]" 2
117 1 22 VAL HA 1 60 ILE H 2.992 . 4.111 2.569 2.497 2.626 . 0 0 "[ . 1]" 2
118 1 60 ILE H 1 60 ILE HB 3.089 . 4.282 2.638 2.570 2.669 . 0 0 "[ . 1]" 2
119 1 60 ILE HA 1 61 LEU H 3.554 . 5.133 3.578 3.550 3.600 . 0 0 "[ . 1]" 2
120 1 61 LEU HA 1 62 LYS H 2.448 . 3.176 2.215 2.100 2.314 . 0 0 "[ . 1]" 2
121 1 61 LEU HG 1 62 LYS H 3.373 . 4.796 4.892 4.846 4.945 0.149 9 0 "[ . 1]" 2
122 1 64 GLY H 1 65 ASP H 3.250 . 3.585 2.225 2.091 2.370 . 0 0 "[ . 1]" 2
123 1 63 PRO HA 1 64 GLY H 2.746 . 3.689 2.188 2.149 2.220 . 0 0 "[ . 1]" 2
124 1 65 ASP H 1 65 ASP HA 2.639 . 3.509 2.894 2.870 2.910 . 0 0 "[ . 1]" 2
125 1 63 PRO HA 1 65 ASP H 3.082 . 4.269 3.702 3.561 3.867 . 0 0 "[ . 1]" 2
126 1 65 ASP HA 1 66 LYS H 2.403 . 2.793 2.547 2.318 2.716 . 0 0 "[ . 1]" 2
127 1 66 LYS HA 1 67 VAL H 3.026 . 3.154 2.116 2.079 2.151 . 0 0 "[ . 1]" 2
128 1 71 GLU H 1 72 ALA H 2.782 . 3.590 2.666 2.635 2.690 . 0 0 "[ . 1]" 2
129 1 71 GLU H 1 71 GLU HA 2.550 . 3.363 2.834 2.826 2.843 . 0 0 "[ . 1]" 2
130 1 68 GLY H 1 71 GLU H 3.432 . 4.905 4.300 4.172 4.401 . 0 0 "[ . 1]" 2
131 1 72 ALA H 1 73 THR H 2.715 . 3.516 2.708 2.663 2.754 . 0 0 "[ . 1]" 2
132 1 71 GLU H 1 73 THR H 3.498 . 5.027 3.899 3.826 3.967 . 0 0 "[ . 1]" 2
133 1 73 THR H 1 74 LEU H 2.651 . 3.404 2.719 2.671 2.763 . 0 0 "[ . 1]" 2
134 1 73 THR H 1 73 THR HB 2.266 . 2.908 2.636 2.589 2.726 . 0 0 "[ . 1]" 2
135 1 73 THR H 1 73 THR HA 2.516 . 3.307 2.787 2.777 2.801 . 0 0 "[ . 1]" 2
136 1 74 LEU H 1 75 LEU H 2.672 . 3.565 2.749 2.631 2.960 . 0 0 "[ . 1]" 2
137 1 73 THR HB 1 74 LEU H 2.593 . 3.434 2.542 2.368 2.639 . 0 0 "[ . 1]" 2
138 1 76 ASN H 1 76 ASN HA 2.741 . 3.680 2.859 2.845 2.880 . 0 0 "[ . 1]" 2
139 1 76 ASN H 1 77 MET HA 3.436 . 4.912 5.089 5.054 5.122 0.210 7 0 "[ . 1]" 2
140 1 75 LEU HA 1 76 ASN H 2.788 . 3.759 3.462 3.415 3.510 . 0 0 "[ . 1]" 2
141 1 77 MET H 1 78 LEU H 2.619 . 3.285 2.493 2.348 2.573 . 0 0 "[ . 1]" 2
142 1 77 MET H 1 77 MET HA 2.636 . 3.308 2.828 2.805 2.866 . 0 0 "[ . 1]" 2
143 1 78 LEU H 1 78 LEU HA 2.676 . 3.571 2.855 2.813 2.870 . 0 0 "[ . 1]" 2
144 1 77 MET HA 1 78 LEU H 3.086 . 4.277 3.458 3.400 3.485 . 0 0 "[ . 1]" 2
145 1 75 LEU HA 1 78 LEU H 3.017 . 4.154 3.270 3.138 3.429 . 0 0 "[ . 1]" 2
146 1 79 ASN H 1 79 ASN HA 2.243 . 2.872 2.269 2.260 2.282 . 0 0 "[ . 1]" 2
147 1 81 SER H 1 81 SER HA 2.530 . 3.330 2.716 2.265 2.939 . 0 0 "[ . 1]" 2
148 1 81 SER HA 1 83 PHE H 2.665 . 3.553 3.357 3.137 3.537 . 0 0 "[ . 1]" 2
149 1 82 PRO HA 1 83 PHE H 2.946 . 4.031 3.372 3.265 3.435 . 0 0 "[ . 1]" 2
150 1 83 PHE H 1 83 PHE HA 2.809 . 3.795 2.941 2.929 2.951 . 0 0 "[ . 1]" 2
151 1 84 SER HA 1 85 TYR H 2.860 . 3.882 2.485 2.135 3.581 . 0 0 "[ . 1]" 2
152 1 7 VAL HA 1 86 GLY H 3.701 . 5.413 3.764 1.940 5.510 0.097 10 0 "[ . 1]" 2
153 1 7 VAL HA 1 7 VAL HB 2.551 . 3.139 2.583 2.416 3.023 . 0 0 "[ . 1]" 2
154 1 7 VAL H 1 7 VAL HB 2.841 . 3.850 3.238 2.403 3.885 0.035 7 0 "[ . 1]" 2
155 1 15 ALA H 1 15 ALA HA 2.988 . 4.104 2.886 2.862 2.920 . 0 0 "[ . 1]" 2
156 1 18 PRO HA 1 19 LEU H 3.033 . 4.183 3.540 3.515 3.573 . 0 0 "[ . 1]" 2
157 1 21 VAL HB 1 61 LEU H 3.208 . 4.495 2.550 2.387 2.835 . 0 0 "[ . 1]" 2
158 1 22 VAL HA 1 22 VAL HB 2.820 . 3.759 3.016 3.011 3.019 . 0 0 "[ . 1]" 2
159 1 24 PRO HA 1 57 ASP HA 2.593 . 3.434 3.176 3.015 3.442 0.008 2 0 "[ . 1]" 2
160 1 25 ALA HA 1 54 ILE HB 2.635 . 3.494 1.956 1.813 2.247 . 0 0 "[ . 1]" 2
161 1 25 ALA HA 1 54 ILE H 3.194 . 4.469 3.731 3.309 3.935 . 0 0 "[ . 1]" 2
162 1 28 THR HB 1 30 LEU HG 2.914 . 3.975 2.608 2.402 2.860 . 0 0 "[ . 1]" 2
163 1 30 LEU H 1 30 LEU HA 2.751 . 3.697 2.913 2.863 2.940 . 0 0 "[ . 1]" 2
164 1 32 PRO HA 1 52 ILE HB 2.725 . 3.653 2.177 2.032 2.390 . 0 0 "[ . 1]" 2
165 1 35 THR HA 1 35 THR HB 2.726 . 3.655 2.512 2.454 2.563 . 0 0 "[ . 1]" 2
166 1 40 ALA H 1 40 ALA HA 2.591 . 3.430 2.814 2.794 2.833 . 0 0 "[ . 1]" 2
167 1 41 LEU HG 1 71 GLU HA 2.399 . 3.119 2.486 2.391 2.539 . 0 0 "[ . 1]" 2
168 1 41 LEU HG 1 71 GLU H 3.371 . 4.791 4.723 4.644 4.800 0.009 10 0 "[ . 1]" 2
169 1 38 PHE HA 1 43 ILE HB 2.981 . 4.092 3.036 2.977 3.116 . 0 0 "[ . 1]" 2
170 1 45 THR HA 1 45 THR HB 2.470 . 3.233 2.501 2.460 2.550 . 0 0 "[ . 1]" 2
171 1 51 THR HA 1 51 THR HB 2.400 . 3.120 2.549 2.495 2.602 . 0 0 "[ . 1]" 2
172 1 45 THR HA 1 54 ILE HA 2.871 . 3.410 2.754 2.360 3.066 . 0 0 "[ . 1]" 2
173 1 55 ILE H 1 55 ILE HB 2.708 . 3.625 3.675 3.658 3.698 0.073 9 0 "[ . 1]" 2
174 1 55 ILE HA 1 55 ILE HB 2.774 . 3.736 2.418 2.403 2.437 . 0 0 "[ . 1]" 2
175 1 56 ASN HA 1 57 ASP H 2.289 . 2.944 2.183 2.151 2.234 . 0 0 "[ . 1]" 2
176 1 58 VAL H 1 58 VAL HB 2.860 . 3.883 2.628 2.598 2.657 . 0 0 "[ . 1]" 2
177 1 60 ILE HA 1 60 ILE HB 2.651 . 3.013 2.414 2.394 2.438 . 0 0 "[ . 1]" 2
178 1 22 VAL HA 1 60 ILE HB 3.156 . 4.401 4.394 4.314 4.434 0.033 10 0 "[ . 1]" 2
179 1 61 LEU HA 1 61 LEU HG 3.068 . 4.245 3.232 3.194 3.293 . 0 0 "[ . 1]" 2
180 1 67 VAL HB 1 68 GLY H 3.468 . 4.971 4.177 4.140 4.212 . 0 0 "[ . 1]" 2
181 1 72 ALA H 1 72 ALA HA 2.800 . 3.780 2.794 2.779 2.814 . 0 0 "[ . 1]" 2
182 1 75 LEU HA 1 78 LEU HG 2.724 . 3.651 3.725 3.670 3.892 0.241 6 0 "[ . 1]" 2
183 1 23 ILE HG12 1 78 LEU HG 2.074 . 2.612 2.618 2.489 2.670 0.058 6 0 "[ . 1]" 2
184 1 79 ASN HA 1 80 ILE H 2.674 . 3.567 2.818 2.673 2.944 . 0 0 "[ . 1]" 2
185 1 80 ILE H 1 80 ILE HB 2.852 . 3.869 2.491 2.357 2.612 . 0 0 "[ . 1]" 2
186 1 85 TYR HA 1 86 GLY H 2.684 . 3.585 2.835 2.148 3.515 . 0 0 "[ . 1]" 2
187 1 16 ILE HA 1 16 ILE HB 2.947 . 4.033 3.025 3.022 3.029 . 0 0 "[ . 1]" 2
188 1 21 VAL HA 1 21 VAL HB 2.726 . 3.655 3.019 3.015 3.022 . 0 0 "[ . 1]" 2
189 1 22 VAL HA 1 59 HIS HA 2.747 . 3.690 2.807 2.585 2.958 . 0 0 "[ . 1]" 2
190 1 21 VAL HA 1 22 VAL HB 3.083 . 4.271 4.350 4.337 4.379 0.108 4 0 "[ . 1]" 2
191 1 23 ILE HA 1 23 ILE HB 2.947 . 4.033 3.028 3.026 3.032 . 0 0 "[ . 1]" 2
192 1 23 ILE HB 1 58 VAL HB 2.690 . 3.498 1.927 1.853 2.107 . 0 0 "[ . 1]" 2
193 1 28 THR HA 1 28 THR HB 2.556 . 3.373 2.493 2.435 2.525 . 0 0 "[ . 1]" 2
194 1 30 LEU HA 1 30 LEU HG 2.387 . 3.099 3.080 2.964 3.122 0.023 2 0 "[ . 1]" 2
195 1 36 SER HA 1 39 GLN HB2 2.352 . 3.043 2.761 2.655 2.903 . 0 0 "[ . 1]" 2
196 1 43 ILE HA 1 44 PRO HD3 2.018 . 2.527 1.836 1.804 1.867 . 0 0 "[ . 1]" 2
197 1 43 ILE HA 1 43 ILE HB 2.991 . 4.109 3.003 3.000 3.006 . 0 0 "[ . 1]" 2
198 1 58 VAL HA 1 58 VAL HB 2.898 . 3.948 3.011 3.006 3.014 . 0 0 "[ . 1]" 2
199 1 21 VAL HB 1 61 LEU HG 2.869 . 3.898 2.759 2.645 2.845 . 0 0 "[ . 1]" 2
200 1 20 SER HA 1 62 LYS HA 2.683 . 3.583 2.616 2.160 2.940 . 0 0 "[ . 1]" 2
201 1 73 THR HA 1 73 THR HB 2.983 . 4.095 3.023 3.021 3.026 . 0 0 "[ . 1]" 2
202 1 75 LEU HA 1 75 LEU HG 2.385 . 3.096 2.989 2.903 3.069 . 0 0 "[ . 1]" 2
203 1 7 VAL HA 1 85 TYR HA 2.397 . 3.115 2.975 2.603 3.189 0.074 2 0 "[ . 1]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 20
_Distance_constraint_stats_list.Viol_count 98
_Distance_constraint_stats_list.Viol_total 57.231
_Distance_constraint_stats_list.Viol_max 0.173
_Distance_constraint_stats_list.Viol_rms 0.0410
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0286
_Distance_constraint_stats_list.Viol_average_violations_only 0.0584
_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 34 LYS 2.141 0.173 2 0 "[ . 1]"
1 35 THR 0.183 0.035 7 0 "[ . 1]"
1 36 SER 0.532 0.077 9 0 "[ . 1]"
1 37 PHE 1.772 0.121 8 0 "[ . 1]"
1 38 PHE 2.141 0.173 2 0 "[ . 1]"
1 39 GLN 0.183 0.035 7 0 "[ . 1]"
1 40 ALA 0.532 0.077 9 0 "[ . 1]"
1 41 LEU 1.772 0.121 8 0 "[ . 1]"
1 68 GLY 0.000 0.000 . 0 "[ . 1]"
1 69 ALA 0.295 0.044 5 0 "[ . 1]"
1 70 SER 0.036 0.031 10 0 "[ . 1]"
1 71 GLU 0.207 0.053 2 0 "[ . 1]"
1 72 ALA 0.446 0.092 9 0 "[ . 1]"
1 73 THR 0.406 0.044 5 0 "[ . 1]"
1 74 LEU 0.036 0.031 10 0 "[ . 1]"
1 75 LEU 0.207 0.053 2 0 "[ . 1]"
1 76 ASN 0.446 0.092 9 0 "[ . 1]"
1 77 MET 0.111 0.030 6 0 "[ . 1]"
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 73 THR O 1 77 MET N 2.800 2.700 2.900 2.881 2.790 2.930 0.030 6 0 "[ . 1]" 3
2 1 73 THR O 1 77 MET H 1.900 . 2.000 1.974 1.903 2.013 0.013 6 0 "[ . 1]" 3
3 1 72 ALA O 1 76 ASN N 2.800 2.700 2.900 2.816 2.758 2.929 0.029 3 0 "[ . 1]" 3
4 1 72 ALA O 1 76 ASN H 1.900 . 2.000 2.042 2.014 2.092 0.092 9 0 "[ . 1]" 3
5 1 71 GLU O 1 75 LEU N 2.800 2.700 2.900 2.916 2.851 2.953 0.053 2 0 "[ . 1]" 3
6 1 71 GLU O 1 75 LEU H 1.900 . 2.000 1.960 1.914 2.001 0.001 4 0 "[ . 1]" 3
7 1 70 SER O 1 74 LEU N 2.800 2.700 2.900 2.786 2.709 2.903 0.003 10 0 "[ . 1]" 3
8 1 70 SER O 1 74 LEU H 1.900 . 2.000 1.916 1.798 2.031 0.031 10 0 "[ . 1]" 3
9 1 69 ALA O 1 73 THR N 2.800 2.700 2.900 2.928 2.888 2.944 0.044 5 0 "[ . 1]" 3
10 1 69 ALA O 1 73 THR H 1.900 . 2.000 1.968 1.936 1.985 . 0 0 "[ . 1]" 3
11 1 68 GLY O 1 72 ALA N 2.800 2.700 2.900 2.791 2.753 2.839 . 0 0 "[ . 1]" 3
12 1 68 GLY O 1 72 ALA H 1.900 . 2.000 1.883 1.842 1.944 . 0 0 "[ . 1]" 3
13 1 37 PHE O 1 41 LEU N 2.800 2.700 2.900 2.981 2.964 3.003 0.103 7 0 "[ . 1]" 3
14 1 37 PHE O 1 41 LEU H 1.900 . 2.000 2.096 2.058 2.121 0.121 8 0 "[ . 1]" 3
15 1 36 SER O 1 40 ALA N 2.800 2.700 2.900 2.800 2.765 2.845 . 0 0 "[ . 1]" 3
16 1 36 SER O 1 40 ALA H 1.900 . 2.000 2.053 2.029 2.077 0.077 9 0 "[ . 1]" 3
17 1 35 THR O 1 39 GLN N 2.800 2.700 2.900 2.743 2.718 2.799 . 0 0 "[ . 1]" 3
18 1 35 THR O 1 39 GLN H 1.900 . 2.000 1.789 1.765 1.853 0.035 7 0 "[ . 1]" 3
19 1 34 LYS O 1 38 PHE N 2.800 2.700 2.900 3.034 3.013 3.073 0.173 2 0 "[ . 1]" 3
20 1 34 LYS O 1 38 PHE H 1.900 . 2.000 2.080 2.062 2.120 0.120 2 0 "[ . 1]" 3
stop_
save_
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