NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
456940 |
2kug   |
16764 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kug
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 73
_Distance_constraint_stats_list.Viol_count 28
_Distance_constraint_stats_list.Viol_total 83.292
_Distance_constraint_stats_list.Viol_max 1.336
_Distance_constraint_stats_list.Viol_rms 0.1786
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0456
_Distance_constraint_stats_list.Viol_average_violations_only 0.5949
_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 12 PHE 0.000 0.000 . 0 "[ .]"
1 16 PHE 0.000 0.000 . 0 "[ .]"
1 19 PHE 0.000 0.000 . 0 "[ .]"
1 27 ILE 0.000 0.000 . 0 "[ .]"
1 29 THR 0.000 0.000 . 0 "[ .]"
1 32 LEU 1.151 1.151 3 1 "[ + .]"
1 35 VAL 0.000 0.000 . 0 "[ .]"
1 36 MET 3.345 0.757 3 5 [*-+**]
1 39 LEU 0.000 0.000 . 0 "[ .]"
1 40 GLY 0.000 0.000 . 0 "[ .]"
1 41 GLN 0.000 0.000 . 0 "[ .]"
1 42 ASN 0.000 0.000 . 0 "[ .]"
1 43 PRO 0.000 0.000 . 0 "[ .]"
1 47 GLU 0.000 0.000 . 0 "[ .]"
1 48 LEU 0.000 0.000 . 0 "[ .]"
1 51 MET 1.003 0.628 3 1 "[ + .]"
1 55 VAL 1.336 1.336 3 1 "[ + .]"
1 63 ILE 0.000 0.000 . 0 "[ .]"
1 65 PHE 0.000 0.000 . 0 "[ .]"
1 68 PHE 0.000 0.000 . 0 "[ .]"
1 71 MET 6.318 0.912 1 5 [+**-*]
1 72 MET 0.000 0.000 . 0 "[ .]"
1 74 ARG 0.000 0.000 . 0 "[ .]"
1 75 LYS 3.505 1.009 5 2 "[ - +]"
1 76 MET 0.000 0.000 . 0 "[ .]"
4 1 HLT 16.658 1.336 3 5 [*-+**]
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 32 LEU QD 4 1 HLT HC1 6.000 4.500 8.000 5.190 3.349 6.050 1.151 3 1 "[ + .]" 1
2 1 35 VAL MG1 4 1 HLT HC1 6.000 4.500 8.000 6.628 6.520 6.801 . 0 0 "[ .]" 1
3 1 36 MET ME 4 1 HLT HC1 6.000 4.500 8.000 3.849 3.743 3.918 0.757 3 5 [*-+**] 1
4 1 39 LEU MD2 4 1 HLT HC1 5.500 4.500 7.500 5.641 5.180 6.328 . 0 0 "[ .]" 1
5 1 51 MET ME 4 1 HLT HC1 5.000 4.000 6.500 5.095 4.449 5.522 . 0 0 "[ .]" 1
6 1 55 VAL QG 4 1 HLT HC1 5.500 4.500 7.500 4.845 3.164 5.581 1.336 3 1 "[ + .]" 1
7 1 71 MET ME 4 1 HLT HC1 4.000 3.500 5.000 2.732 2.588 2.937 0.912 1 5 [+**-*] 1
8 1 72 MET ME 4 1 HLT HC1 5.000 4.000 6.500 4.699 4.066 5.255 . 0 0 "[ .]" 1
9 1 76 MET ME 4 1 HLT HC1 7.000 5.000 9.500 7.994 7.804 8.173 . 0 0 "[ .]" 1
10 1 12 PHE HE1 4 1 HLT HC1 4.000 3.900 24.000 9.836 8.974 10.709 . 0 0 "[ .]" 1
11 1 12 PHE HD1 4 1 HLT HC1 4.000 3.900 24.000 10.897 10.379 11.808 . 0 0 "[ .]" 1
12 1 12 PHE HE2 4 1 HLT HC1 4.000 3.900 24.000 11.256 10.141 11.970 . 0 0 "[ .]" 1
13 1 12 PHE HD2 4 1 HLT HC1 4.000 3.900 24.000 12.194 11.319 13.036 . 0 0 "[ .]" 1
14 1 16 PHE QB 4 1 HLT HC1 5.000 4.900 25.000 12.307 10.217 13.204 . 0 0 "[ .]" 1
15 1 16 PHE QD 4 1 HLT HC1 4.000 3.900 24.000 11.775 9.157 12.776 . 0 0 "[ .]" 1
16 1 16 PHE HE2 4 1 HLT HC1 4.000 3.900 24.000 17.015 14.144 18.096 . 0 0 "[ .]" 1
17 1 16 PHE HE1 4 1 HLT HC1 4.000 3.900 24.000 13.135 10.104 14.162 . 0 0 "[ .]" 1
18 1 16 PHE HZ 4 1 HLT HC1 4.000 3.900 24.000 15.615 12.591 16.653 . 0 0 "[ .]" 1
19 1 19 PHE HE1 4 1 HLT HC1 4.000 3.900 24.000 8.949 5.120 10.903 . 0 0 "[ .]" 1
20 1 19 PHE HD1 4 1 HLT HC1 4.000 3.900 24.000 10.782 6.997 12.553 . 0 0 "[ .]" 1
21 1 19 PHE HE2 4 1 HLT HC1 4.000 3.900 24.000 8.782 6.807 9.486 . 0 0 "[ .]" 1
22 1 19 PHE HD2 4 1 HLT HC1 4.000 3.900 24.000 10.597 8.306 11.357 . 0 0 "[ .]" 1
23 1 27 ILE MG 4 1 HLT HC1 6.000 5.900 26.000 9.168 6.538 10.044 . 0 0 "[ .]" 1
24 1 27 ILE MD 4 1 HLT HC1 6.000 5.900 26.000 9.095 6.426 9.933 . 0 0 "[ .]" 1
25 1 29 THR HG1 4 1 HLT HC1 5.000 4.900 25.000 11.483 9.529 12.297 . 0 0 "[ .]" 1
26 1 32 LEU QB 4 1 HLT HC1 5.000 4.900 25.000 8.686 6.644 9.472 . 0 0 "[ .]" 1
27 1 32 LEU HG 4 1 HLT HC1 4.000 3.900 24.000 7.751 5.896 8.423 . 0 0 "[ .]" 1
28 1 36 MET HA 4 1 HLT HC1 4.000 3.900 24.000 7.040 6.891 7.274 . 0 0 "[ .]" 1
29 1 36 MET QG 4 1 HLT HC1 5.000 4.900 25.000 5.255 4.810 5.566 0.090 3 0 "[ .]" 1
30 1 39 LEU MD1 4 1 HLT HC1 6.000 5.900 26.000 7.904 7.591 8.084 . 0 0 "[ .]" 1
31 1 40 GLY QA 4 1 HLT HC1 5.000 4.900 25.000 11.534 10.947 12.865 . 0 0 "[ .]" 1
32 1 41 GLN HA 4 1 HLT HC1 4.000 3.900 24.000 11.436 10.655 13.079 . 0 0 "[ .]" 1
33 1 41 GLN QB 4 1 HLT HC1 5.000 4.900 25.000 8.178 7.536 9.364 . 0 0 "[ .]" 1
34 1 41 GLN QG 4 1 HLT HC1 5.000 4.900 25.000 7.357 6.641 9.129 . 0 0 "[ .]" 1
35 1 41 GLN QE 4 1 HLT HC1 5.000 4.900 25.000 8.877 7.210 11.001 . 0 0 "[ .]" 1
36 1 42 ASN QB 4 1 HLT HC1 5.000 4.900 25.000 12.499 11.847 13.409 . 0 0 "[ .]" 1
37 1 42 ASN QD 4 1 HLT HC1 5.000 4.900 25.000 14.085 13.512 14.566 . 0 0 "[ .]" 1
38 1 43 PRO QB 4 1 HLT HC1 5.000 4.900 25.000 8.413 7.996 8.804 . 0 0 "[ .]" 1
39 1 43 PRO QG 4 1 HLT HC1 5.000 4.900 25.000 9.291 8.983 9.552 . 0 0 "[ .]" 1
40 1 47 GLU QB 4 1 HLT HC1 5.000 4.900 25.000 8.540 7.817 9.108 . 0 0 "[ .]" 1
41 1 48 LEU MD1 4 1 HLT HC1 5.000 4.900 25.000 9.423 9.013 9.766 . 0 0 "[ .]" 1
42 1 51 MET QB 4 1 HLT HC1 5.000 4.900 25.000 5.716 4.272 6.460 0.628 3 1 "[ + .]" 1
43 1 51 MET QG 4 1 HLT HC1 5.000 4.900 25.000 5.372 4.525 5.968 0.375 3 0 "[ .]" 1
44 1 63 ILE MD 4 1 HLT HC1 5.000 4.900 25.000 8.454 5.803 9.481 . 0 0 "[ .]" 1
45 1 65 PHE HE1 4 1 HLT HC1 4.000 3.900 24.000 13.393 11.830 13.920 . 0 0 "[ .]" 1
46 1 65 PHE HD1 4 1 HLT HC1 4.000 3.900 24.000 12.936 10.824 13.570 . 0 0 "[ .]" 1
47 1 65 PHE HE2 4 1 HLT HC1 4.000 3.900 24.000 16.999 15.030 17.673 . 0 0 "[ .]" 1
48 1 65 PHE HD2 4 1 HLT HC1 4.000 3.900 24.000 16.636 14.252 17.298 . 0 0 "[ .]" 1
49 1 68 PHE HD2 4 1 HLT HC1 4.000 3.900 24.000 10.564 8.677 11.196 . 0 0 "[ .]" 1
50 1 68 PHE QB 4 1 HLT HC1 5.000 4.900 25.000 8.991 6.507 9.696 . 0 0 "[ .]" 1
51 1 68 PHE HE2 4 1 HLT HC1 4.000 3.900 24.000 9.992 8.715 10.503 . 0 0 "[ .]" 1
52 1 68 PHE HD1 4 1 HLT HC1 4.000 3.900 24.000 7.251 4.516 7.983 . 0 0 "[ .]" 1
53 1 68 PHE HE1 4 1 HLT HC1 4.000 3.900 24.000 6.421 4.584 7.077 . 0 0 "[ .]" 1
54 1 68 PHE HZ 4 1 HLT HC1 4.000 3.900 24.000 8.065 6.980 8.661 . 0 0 "[ .]" 1
55 1 71 MET QB 4 1 HLT HC1 5.000 4.900 25.000 6.069 4.456 6.617 0.444 3 0 "[ .]" 1
56 1 71 MET QG 4 1 HLT HC1 5.000 4.900 25.000 4.493 4.265 4.851 0.635 3 3 "[* +-.]" 1
57 1 72 MET HA 4 1 HLT HC1 4.000 3.900 24.000 6.526 6.036 7.363 . 0 0 "[ .]" 1
58 1 72 MET QB 4 1 HLT HC1 5.000 4.900 25.000 7.888 7.583 8.303 . 0 0 "[ .]" 1
59 1 72 MET QG 4 1 HLT HC1 5.000 4.900 25.000 7.124 6.179 8.153 . 0 0 "[ .]" 1
60 1 74 ARG H 4 1 HLT HC1 4.000 3.900 24.000 8.118 7.684 9.370 . 0 0 "[ .]" 1
61 1 74 ARG QB 4 1 HLT HC1 5.000 4.900 25.000 6.040 5.494 7.830 . 0 0 "[ .]" 1
62 1 74 ARG QG 4 1 HLT HC1 5.000 4.900 25.000 7.525 7.132 8.468 . 0 0 "[ .]" 1
63 1 74 ARG QD 4 1 HLT HC1 5.000 4.900 25.000 8.513 7.770 10.335 . 0 0 "[ .]" 1
64 1 74 ARG QH2 4 1 HLT HC1 5.000 4.900 25.000 9.873 8.807 11.315 . 0 0 "[ .]" 1
65 1 74 ARG QH1 4 1 HLT HC1 5.000 4.900 25.000 8.262 6.429 10.508 . 0 0 "[ .]" 1
66 1 75 LYS HA 4 1 HLT HC1 4.000 3.900 24.000 5.867 4.469 9.619 . 0 0 "[ .]" 1
67 1 75 LYS QB 4 1 HLT HC1 5.000 4.900 25.000 5.083 4.180 6.766 0.720 5 1 "[ +]" 1
68 1 75 LYS QG 4 1 HLT HC1 5.000 4.900 25.000 5.014 3.891 7.672 1.009 5 2 "[ - +]" 1
69 1 75 LYS QE 4 1 HLT HC1 5.000 4.900 25.000 6.398 5.428 7.178 . 0 0 "[ .]" 1
70 1 75 LYS QZ 4 1 HLT HC1 5.000 4.900 25.000 7.351 6.916 7.857 . 0 0 "[ .]" 1
71 1 76 MET H 4 1 HLT HC1 4.000 3.900 24.000 7.627 6.270 11.231 . 0 0 "[ .]" 1
72 1 76 MET HA 4 1 HLT HC1 4.000 3.900 24.000 9.722 8.302 13.255 . 0 0 "[ .]" 1
73 1 76 MET QB 4 1 HLT HC1 5.000 4.900 25.000 9.601 8.637 11.793 . 0 0 "[ .]" 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 689
_Distance_constraint_stats_list.Viol_count 585
_Distance_constraint_stats_list.Viol_total 681.709
_Distance_constraint_stats_list.Viol_max 1.120
_Distance_constraint_stats_list.Viol_rms 0.1294
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0396
_Distance_constraint_stats_list.Viol_average_violations_only 0.2331
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ASP 0.201 0.197 3 0 "[ .]"
1 3 GLN 0.369 0.096 3 0 "[ .]"
1 4 LEU 9.464 1.120 1 5 [+**-*]
1 5 THR 1.515 0.238 4 0 "[ .]"
1 6 GLU 1.035 0.238 4 0 "[ .]"
1 7 GLU 0.341 0.190 3 0 "[ .]"
1 8 GLN 0.000 0.000 . 0 "[ .]"
1 9 ILE 3.202 0.443 1 0 "[ .]"
1 10 ALA 2.060 0.255 4 0 "[ .]"
1 11 GLU 2.320 0.255 4 0 "[ .]"
1 12 PHE 2.434 0.432 4 0 "[ .]"
1 13 LYS 0.158 0.092 3 0 "[ .]"
1 14 GLU 1.028 0.195 1 0 "[ .]"
1 15 ALA 2.881 0.696 4 1 "[ +.]"
1 16 PHE 4.233 0.740 3 5 [**+-*]
1 17 SER 0.000 0.000 . 0 "[ .]"
1 18 LEU 4.506 0.696 4 2 "[ -+.]"
1 19 PHE 5.948 0.481 5 0 "[ .]"
1 20 ASP 1.137 0.324 1 0 "[ .]"
1 21 LYS 1.439 0.324 1 0 "[ .]"
1 22 ASP 0.446 0.130 4 0 "[ .]"
1 23 GLY 0.362 0.130 4 0 "[ .]"
1 24 ASP 1.002 0.201 4 0 "[ .]"
1 25 GLY 0.000 0.000 . 0 "[ .]"
1 26 THR 3.157 0.293 1 0 "[ .]"
1 27 ILE 15.600 0.888 1 5 [+**-*]
1 28 THR 3.118 0.536 4 2 "[ +-]"
1 29 THR 5.509 0.791 3 5 [**+*-]
1 30 LYS 0.237 0.195 3 0 "[ .]"
1 31 GLU 0.080 0.050 1 0 "[ .]"
1 32 LEU 17.971 1.120 3 5 [*-+**]
1 33 GLY 1.486 0.414 3 0 "[ .]"
1 34 THR 1.022 0.198 4 0 "[ .]"
1 35 VAL 5.414 0.450 1 0 "[ .]"
1 36 MET 3.736 0.450 1 0 "[ .]"
1 37 ARG 0.506 0.140 1 0 "[ .]"
1 38 SER 0.762 0.198 4 0 "[ .]"
1 39 LEU 2.396 0.402 4 0 "[ .]"
1 40 GLY 0.075 0.075 1 0 "[ .]"
1 41 GLN 0.581 0.140 1 0 "[ .]"
1 42 ASN 1.701 0.257 3 0 "[ .]"
1 43 PRO 3.023 0.257 3 0 "[ .]"
1 44 THR 0.575 0.134 4 0 "[ .]"
1 45 GLU 0.195 0.195 3 0 "[ .]"
1 46 ALA 0.000 0.000 . 0 "[ .]"
1 47 GLU 1.138 0.198 1 0 "[ .]"
1 48 LEU 2.473 0.466 2 0 "[ .]"
1 49 GLN 0.000 0.000 . 0 "[ .]"
1 50 ASP 0.033 0.033 3 0 "[ .]"
1 51 MET 12.845 1.120 3 5 [**+-*]
1 52 ILE 10.276 0.791 3 5 [**+-*]
1 53 ASN 1.547 0.153 1 0 "[ .]"
1 54 GLU 5.448 0.950 1 5 [+*-**]
1 55 VAL 18.657 0.950 1 5 [+**-*]
1 56 ASP 1.168 0.153 1 0 "[ .]"
1 57 ALA 1.368 0.144 2 0 "[ .]"
1 58 ASP 0.395 0.105 2 0 "[ .]"
1 59 GLY 0.000 0.000 . 0 "[ .]"
1 60 ASN 0.009 0.009 3 0 "[ .]"
1 61 GLY 0.000 0.000 . 0 "[ .]"
1 62 THR 1.887 0.256 3 0 "[ .]"
1 63 ILE 13.148 0.984 1 5 [+***-]
1 64 ASP 0.239 0.090 2 0 "[ .]"
1 65 PHE 0.260 0.093 2 0 "[ .]"
1 66 PRO 0.000 0.000 . 0 "[ .]"
1 67 GLU 0.082 0.038 2 0 "[ .]"
1 68 PHE 1.020 0.256 5 0 "[ .]"
1 69 LEU 2.398 0.259 2 0 "[ .]"
1 70 THR 1.466 0.501 3 1 "[ + .]"
1 71 MET 7.207 0.843 1 5 [+***-]
1 72 MET 1.673 0.426 5 0 "[ .]"
1 73 ALA 4.018 0.501 3 1 "[ + .]"
1 74 ARG 1.488 0.334 1 0 "[ .]"
1 75 LYS 1.456 0.639 3 1 "[ + .]"
1 76 MET 2.239 0.639 3 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 2 ASP HA 1 2 ASP HB3 3.700 2.500 5.500 2.474 2.303 2.525 0.197 3 0 "[ .]" 2
2 1 2 ASP HA 1 2 ASP HB2 3.100 2.300 4.500 2.956 2.616 3.044 . 0 0 "[ .]" 2
3 1 2 ASP HA 1 3 GLN H 3.300 2.100 4.900 3.550 3.525 3.567 . 0 0 "[ .]" 2
4 1 2 ASP H 1 4 LEU HA 3.700 2.400 5.300 5.147 4.983 5.302 0.002 5 0 "[ .]" 2
5 1 2 ASP HB2 1 4 LEU H 3.900 2.700 5.900 4.531 4.208 5.224 . 0 0 "[ .]" 2
6 1 3 GLN H 1 3 GLN HA 3.100 2.300 4.300 2.942 2.922 2.957 . 0 0 "[ .]" 2
7 1 3 GLN HA 1 3 GLN HB3 3.500 2.200 5.100 2.490 2.469 2.517 . 0 0 "[ .]" 2
8 1 3 GLN HA 1 3 GLN HB2 3.400 2.100 5.000 3.031 3.028 3.035 . 0 0 "[ .]" 2
9 1 3 GLN HA 1 3 GLN HG2 3.600 2.300 5.300 2.919 2.418 3.714 . 0 0 "[ .]" 2
10 1 3 GLN HB3 1 3 GLN HE21 4.600 3.100 7.100 4.125 3.633 4.686 . 0 0 "[ .]" 2
11 1 3 GLN HB3 1 3 GLN HG3 3.100 2.300 4.500 2.716 2.433 3.039 . 0 0 "[ .]" 2
12 1 3 GLN HB2 1 3 GLN HG2 2.600 . 3.900 2.719 2.444 3.040 . 0 0 "[ .]" 2
13 1 3 GLN HE21 1 3 GLN HG3 3.900 2.400 5.800 3.087 2.396 3.289 0.004 4 0 "[ .]" 2
14 1 3 GLN HB3 1 4 LEU H 3.800 2.600 6.100 3.259 3.210 3.326 . 0 0 "[ .]" 2
15 1 3 GLN HB2 1 4 LEU H 3.100 2.300 4.600 2.227 2.204 2.277 0.096 3 0 "[ .]" 2
16 1 3 GLN HG3 1 4 LEU H 3.900 2.700 6.400 4.512 4.225 4.825 . 0 0 "[ .]" 2
17 1 3 GLN HB2 1 9 ILE H 3.700 2.700 5.400 5.226 5.163 5.272 . 0 0 "[ .]" 2
18 1 3 GLN HB2 1 9 ILE MG 4.500 2.900 7.000 4.516 4.315 4.705 . 0 0 "[ .]" 2
19 1 3 GLN HA 1 73 ALA MB 4.500 2.900 7.000 5.097 4.773 5.392 . 0 0 "[ .]" 2
20 1 4 LEU H 1 4 LEU HB2 3.700 2.400 5.400 2.858 2.795 2.902 . 0 0 "[ .]" 2
21 1 4 LEU H 1 4 LEU HB3 3.700 2.300 5.400 3.589 3.551 3.615 . 0 0 "[ .]" 2
22 1 4 LEU H 1 4 LEU QD 3.700 2.700 5.500 3.581 3.523 3.621 . 0 0 "[ .]" 2
23 1 4 LEU HA 1 4 LEU QD 3.500 2.800 5.200 1.706 1.680 1.756 1.120 1 5 [+**-*] 2
24 1 4 LEU HA 1 4 LEU HG 3.900 2.600 5.700 3.557 3.544 3.595 . 0 0 "[ .]" 2
25 1 4 LEU HB3 1 4 LEU QD 3.900 2.800 5.900 2.493 2.458 2.513 0.342 4 0 "[ .]" 2
26 1 4 LEU QD 1 4 LEU HG 3.400 2.200 5.000 1.883 1.880 1.885 0.320 4 0 "[ .]" 2
27 1 4 LEU H 1 5 THR H 3.800 2.700 5.700 4.313 4.297 4.335 . 0 0 "[ .]" 2
28 1 4 LEU HA 1 5 THR H 3.100 2.200 4.300 2.710 2.671 2.746 . 0 0 "[ .]" 2
29 1 4 LEU QD 1 5 THR H 3.600 2.300 5.400 2.211 2.088 2.362 0.212 1 0 "[ .]" 2
30 1 4 LEU QD 1 8 GLN H 4.200 2.900 6.400 4.787 4.699 4.852 . 0 0 "[ .]" 2
31 1 4 LEU HG 1 8 GLN HA 3.900 2.600 5.900 5.513 5.424 5.588 . 0 0 "[ .]" 2
32 1 4 LEU HB2 1 9 ILE H 3.900 2.600 5.900 4.169 4.028 4.280 . 0 0 "[ .]" 2
33 1 4 LEU HB3 1 9 ILE H 3.900 2.700 5.900 3.801 3.678 3.936 . 0 0 "[ .]" 2
34 1 4 LEU QD 1 73 ALA HA 4.600 3.100 7.600 5.726 5.118 6.339 . 0 0 "[ .]" 2
35 1 5 THR H 1 5 THR HA 3.300 2.200 4.500 2.870 2.862 2.894 . 0 0 "[ .]" 2
36 1 5 THR HB 1 5 THR MG 3.200 2.200 4.300 2.154 2.142 2.170 0.058 3 0 "[ .]" 2
37 1 5 THR HA 1 6 GLU H 3.500 2.200 4.900 2.342 2.326 2.350 . 0 0 "[ .]" 2
38 1 5 THR HA 1 6 GLU HG3 4.300 3.000 6.600 6.542 6.429 6.710 0.110 1 0 "[ .]" 2
39 1 5 THR HA 1 6 GLU HG2 3.900 2.700 6.400 6.517 6.361 6.638 0.238 4 0 "[ .]" 2
40 1 5 THR MG 1 6 GLU H 3.800 2.700 5.700 3.910 3.813 4.004 . 0 0 "[ .]" 2
41 1 5 THR HA 1 7 GLU H 3.700 2.500 5.600 4.101 4.084 4.116 . 0 0 "[ .]" 2
42 1 5 THR HB 1 7 GLU H 3.500 2.200 5.200 2.968 2.784 3.172 . 0 0 "[ .]" 2
43 1 5 THR MG 1 7 GLU H 3.800 2.700 5.700 4.310 4.243 4.373 . 0 0 "[ .]" 2
44 1 5 THR MG 1 8 GLN H 4.100 2.800 6.300 4.473 4.338 4.589 . 0 0 "[ .]" 2
45 1 6 GLU H 1 6 GLU HA 3.800 2.700 5.600 2.753 2.733 2.767 . 0 0 "[ .]" 2
46 1 6 GLU H 1 6 GLU HG2 3.800 2.700 5.600 4.442 4.358 4.505 . 0 0 "[ .]" 2
47 1 6 GLU HB2 1 6 GLU HG3 2.300 . 3.200 2.322 2.252 2.383 . 0 0 "[ .]" 2
48 1 6 GLU HB2 1 6 GLU HG2 2.200 . 3.000 2.920 2.748 3.036 0.036 4 0 "[ .]" 2
49 1 6 GLU H 1 7 GLU H 3.100 2.300 4.600 2.859 2.798 2.924 . 0 0 "[ .]" 2
50 1 6 GLU H 1 7 GLU HB2 3.600 2.300 5.400 5.056 4.957 5.227 . 0 0 "[ .]" 2
51 1 6 GLU HB3 1 7 GLU H 3.100 2.300 4.600 2.932 2.823 3.028 . 0 0 "[ .]" 2
52 1 6 GLU HA 1 9 ILE MD 4.000 2.700 6.000 2.743 2.535 2.831 0.165 3 0 "[ .]" 2
53 1 6 GLU HG3 1 9 ILE MD 4.300 3.000 6.600 4.458 4.113 5.045 . 0 0 "[ .]" 2
54 1 7 GLU H 1 7 GLU HA 3.500 2.200 5.100 2.816 2.792 2.847 . 0 0 "[ .]" 2
55 1 7 GLU H 1 7 GLU HB3 3.200 2.300 4.600 3.577 3.533 3.623 . 0 0 "[ .]" 2
56 1 7 GLU H 1 7 GLU HG3 3.300 2.200 4.800 3.022 2.172 3.557 0.028 4 0 "[ .]" 2
57 1 7 GLU H 1 7 GLU HG2 3.300 2.200 4.800 3.024 2.010 3.718 0.190 3 0 "[ .]" 2
58 1 7 GLU HB3 1 7 GLU HG3 2.400 . 3.800 2.659 2.491 3.029 . 0 0 "[ .]" 2
59 1 7 GLU H 1 8 GLN H 2.800 2.100 4.100 2.855 2.782 2.915 . 0 0 "[ .]" 2
60 1 7 GLU H 1 8 GLN HB2 4.100 2.800 6.300 5.245 5.108 5.308 . 0 0 "[ .]" 2
61 1 7 GLU HB3 1 8 GLN HB2 3.300 2.400 4.900 4.816 4.760 4.894 . 0 0 "[ .]" 2
62 1 7 GLU HA 1 9 ILE H 3.300 2.400 4.900 4.778 4.697 4.890 . 0 0 "[ .]" 2
63 1 7 GLU HA 1 10 ALA MB 3.800 2.700 5.700 2.829 2.759 2.882 . 0 0 "[ .]" 2
64 1 8 GLN H 1 8 GLN HA 3.100 2.300 4.500 2.857 2.820 2.866 . 0 0 "[ .]" 2
65 1 8 GLN H 1 8 GLN HB2 3.400 2.100 5.000 2.464 2.404 2.504 . 0 0 "[ .]" 2
66 1 8 GLN H 1 9 ILE H 3.200 2.300 4.700 2.742 2.707 2.855 . 0 0 "[ .]" 2
67 1 8 GLN HA 1 10 ALA MB 4.100 2.800 6.300 4.705 4.636 4.735 . 0 0 "[ .]" 2
68 1 8 GLN HA 1 11 GLU H 3.100 2.300 4.600 3.378 3.311 3.438 . 0 0 "[ .]" 2
69 1 8 GLN HE21 1 11 GLU HG3 4.300 3.000 6.600 5.535 5.138 6.451 . 0 0 "[ .]" 2
70 1 9 ILE H 1 9 ILE HA 3.300 2.400 4.800 2.844 2.823 2.863 . 0 0 "[ .]" 2
71 1 9 ILE H 1 9 ILE HB 3.300 2.300 4.800 2.584 2.521 2.619 . 0 0 "[ .]" 2
72 1 9 ILE H 1 9 ILE MD 3.900 2.700 5.800 3.669 3.556 3.712 . 0 0 "[ .]" 2
73 1 9 ILE H 1 9 ILE MG 4.500 3.000 6.800 3.835 3.825 3.843 . 0 0 "[ .]" 2
74 1 9 ILE HA 1 9 ILE MD 4.500 3.100 6.900 3.788 3.762 3.822 . 0 0 "[ .]" 2
75 1 9 ILE HA 1 9 ILE MG 4.000 2.600 6.100 2.442 2.415 2.469 0.185 5 0 "[ .]" 2
76 1 9 ILE HB 1 9 ILE MD 3.500 2.400 5.100 2.467 2.389 2.514 0.011 3 0 "[ .]" 2
77 1 9 ILE MD 1 9 ILE MG 3.500 2.300 5.100 1.865 1.857 1.880 0.443 1 0 "[ .]" 2
78 1 9 ILE H 1 10 ALA H 3.000 2.200 4.400 2.825 2.756 2.894 . 0 0 "[ .]" 2
79 1 9 ILE HA 1 10 ALA H 4.300 3.000 6.600 3.514 3.504 3.520 . 0 0 "[ .]" 2
80 1 9 ILE HB 1 10 ALA H 3.600 2.400 5.500 2.536 2.519 2.557 . 0 0 "[ .]" 2
81 1 9 ILE MD 1 10 ALA H 4.200 2.800 6.400 4.595 4.524 4.632 . 0 0 "[ .]" 2
82 1 9 ILE MG 1 10 ALA H 4.200 2.900 6.500 3.308 3.274 3.334 . 0 0 "[ .]" 2
83 1 9 ILE HA 1 12 PHE H 4.500 3.100 7.000 3.310 3.265 3.363 . 0 0 "[ .]" 2
84 1 9 ILE HA 1 12 PHE HE2 4.000 2.900 6.000 4.335 3.999 4.823 . 0 0 "[ .]" 2
85 1 9 ILE HA 1 13 LYS HB2 3.700 2.500 6.100 5.916 5.658 6.166 0.066 3 0 "[ .]" 2
86 1 9 ILE MG 1 13 LYS H 4.200 2.800 6.400 4.284 4.159 4.371 . 0 0 "[ .]" 2
87 1 9 ILE MG 1 65 PHE HE1 4.200 2.800 6.400 4.325 4.128 4.535 . 0 0 "[ .]" 2
88 1 9 ILE HA 1 69 LEU MD1 4.200 2.800 6.400 4.072 3.870 4.155 . 0 0 "[ .]" 2
89 1 9 ILE MD 1 69 LEU MD1 3.700 2.800 5.800 3.793 3.650 4.004 . 0 0 "[ .]" 2
90 1 9 ILE MG 1 69 LEU MD1 4.100 2.700 6.200 2.990 2.788 3.303 . 0 0 "[ .]" 2
91 1 10 ALA H 1 10 ALA HA 3.300 2.300 4.700 2.841 2.834 2.850 . 0 0 "[ .]" 2
92 1 10 ALA H 1 10 ALA MB 3.500 2.400 5.200 2.285 2.276 2.294 0.124 3 0 "[ .]" 2
93 1 10 ALA HA 1 10 ALA MB 3.200 2.200 4.500 2.143 2.140 2.149 0.060 5 0 "[ .]" 2
94 1 10 ALA HA 1 11 GLU HB2 3.700 2.400 5.600 5.814 5.796 5.855 0.255 4 0 "[ .]" 2
95 1 10 ALA MB 1 11 GLU H 3.500 2.300 5.100 2.274 2.254 2.290 0.046 1 0 "[ .]" 2
96 1 10 ALA MB 1 11 GLU HA 4.300 3.000 6.600 3.805 3.771 3.834 . 0 0 "[ .]" 2
97 1 10 ALA H 1 12 PHE H 3.700 2.500 5.600 3.897 3.795 3.963 . 0 0 "[ .]" 2
98 1 10 ALA HA 1 13 LYS H 3.500 2.200 5.000 3.299 3.245 3.423 . 0 0 "[ .]" 2
99 1 10 ALA HA 1 13 LYS HD3 4.200 2.900 6.500 6.080 5.104 6.432 . 0 0 "[ .]" 2
100 1 10 ALA MB 1 13 LYS H 3.700 2.500 5.600 4.386 4.340 4.454 . 0 0 "[ .]" 2
101 1 10 ALA MB 1 14 GLU HG3 4.100 2.700 6.200 4.101 3.741 4.679 . 0 0 "[ .]" 2
102 1 11 GLU H 1 12 PHE H 2.900 2.100 4.200 2.826 2.726 2.884 . 0 0 "[ .]" 2
103 1 11 GLU HB2 1 12 PHE H 3.200 2.300 4.600 2.929 2.802 3.086 . 0 0 "[ .]" 2
104 1 11 GLU HA 1 13 LYS HD2 4.300 3.100 6.600 6.174 6.025 6.692 0.092 3 0 "[ .]" 2
105 1 11 GLU HA 1 14 GLU H 2.700 . 3.900 2.723 2.595 2.888 . 0 0 "[ .]" 2
106 1 11 GLU HA 1 14 GLU HB2 2.600 . 3.800 2.455 2.381 2.566 . 0 0 "[ .]" 2
107 1 11 GLU HA 1 14 GLU HG3 2.700 . 3.900 2.459 2.183 3.366 . 0 0 "[ .]" 2
108 1 11 GLU HB2 1 14 GLU H 3.500 2.600 5.100 5.203 5.158 5.295 0.195 1 0 "[ .]" 2
109 1 11 GLU HG3 1 14 GLU H 3.400 2.600 4.900 4.993 4.851 5.092 0.192 1 0 "[ .]" 2
110 1 12 PHE H 1 12 PHE HA 4.200 2.900 6.400 2.894 2.886 2.903 0.014 4 0 "[ .]" 2
111 1 12 PHE H 1 12 PHE HD2 3.700 2.600 5.500 4.246 3.778 4.622 . 0 0 "[ .]" 2
112 1 12 PHE H 1 12 PHE HE2 4.000 2.800 6.000 5.839 5.529 6.093 0.093 4 0 "[ .]" 2
113 1 12 PHE HA 1 12 PHE HB2 4.100 2.800 6.200 3.014 3.009 3.018 . 0 0 "[ .]" 2
114 1 12 PHE HA 1 12 PHE HD1 3.300 2.100 4.700 1.920 1.853 1.997 0.247 3 0 "[ .]" 2
115 1 12 PHE H 1 13 LYS H 3.000 2.200 4.500 2.585 2.543 2.630 . 0 0 "[ .]" 2
116 1 12 PHE HA 1 15 ALA H 4.400 3.000 6.800 3.158 3.076 3.211 . 0 0 "[ .]" 2
117 1 12 PHE HA 1 15 ALA MB 4.100 2.700 6.200 2.427 2.268 2.594 0.432 4 0 "[ .]" 2
118 1 12 PHE HD1 1 15 ALA H 4.100 2.800 6.300 4.656 4.577 4.755 . 0 0 "[ .]" 2
119 1 12 PHE HE1 1 15 ALA MB 3.700 2.500 5.600 4.748 4.702 4.802 . 0 0 "[ .]" 2
120 1 12 PHE HD2 1 65 PHE HE1 3.500 2.400 5.600 4.538 3.857 4.841 . 0 0 "[ .]" 2
121 1 12 PHE H 1 69 LEU MD1 4.600 3.100 7.100 5.882 5.629 5.981 . 0 0 "[ .]" 2
122 1 12 PHE HD2 1 69 LEU MD2 4.100 2.600 6.700 5.309 4.805 5.561 . 0 0 "[ .]" 2
123 1 12 PHE HE2 1 69 LEU MD1 4.100 3.000 6.300 4.408 3.340 5.044 . 0 0 "[ .]" 2
124 1 12 PHE HE2 1 69 LEU HG 3.700 2.400 5.500 5.048 4.272 5.348 . 0 0 "[ .]" 2
125 1 12 PHE HE1 1 72 MET ME 3.500 2.200 5.100 3.741 3.350 4.119 . 0 0 "[ .]" 2
126 1 13 LYS H 1 13 LYS HA 3.000 . 4.100 2.906 2.889 2.917 . 0 0 "[ .]" 2
127 1 13 LYS H 1 13 LYS HB2 3.100 2.200 4.100 2.630 2.602 2.665 . 0 0 "[ .]" 2
128 1 13 LYS H 1 13 LYS HG3 4.200 2.900 6.400 4.677 4.644 4.706 . 0 0 "[ .]" 2
129 1 13 LYS HA 1 13 LYS HD3 4.300 3.000 6.500 4.411 4.025 4.626 . 0 0 "[ .]" 2
130 1 13 LYS HB2 1 13 LYS HD3 3.600 2.300 5.300 4.119 3.594 4.263 . 0 0 "[ .]" 2
131 1 13 LYS HB2 1 13 LYS HG3 3.500 2.200 5.100 2.261 2.239 2.279 . 0 0 "[ .]" 2
132 1 13 LYS HD3 1 13 LYS HG3 3.300 2.400 4.800 2.581 2.496 2.814 . 0 0 "[ .]" 2
133 1 13 LYS H 1 14 GLU H 3.000 2.200 4.400 2.632 2.547 2.688 . 0 0 "[ .]" 2
134 1 13 LYS H 1 15 ALA H 4.400 3.000 6.800 3.996 3.866 4.103 . 0 0 "[ .]" 2
135 1 13 LYS HB2 1 68 PHE HD2 4.300 3.000 7.200 6.873 6.798 7.062 . 0 0 "[ .]" 2
136 1 13 LYS H 1 69 LEU MD1 4.200 2.900 7.100 5.732 5.617 5.875 . 0 0 "[ .]" 2
137 1 14 GLU H 1 14 GLU HA 2.900 2.100 4.300 2.839 2.829 2.854 . 0 0 "[ .]" 2
138 1 14 GLU HA 1 17 SER H 3.300 2.400 4.900 3.288 3.206 3.498 . 0 0 "[ .]" 2
139 1 15 ALA H 1 15 ALA HA 3.300 2.400 4.800 2.874 2.855 2.887 . 0 0 "[ .]" 2
140 1 15 ALA H 1 15 ALA MB 3.000 2.200 4.000 2.306 2.299 2.309 . 0 0 "[ .]" 2
141 1 15 ALA H 1 16 PHE H 3.200 2.300 4.700 2.628 2.572 2.655 . 0 0 "[ .]" 2
142 1 15 ALA MB 1 16 PHE H 3.700 2.500 5.400 2.600 2.581 2.608 . 0 0 "[ .]" 2
143 1 15 ALA HA 1 18 LEU H 4.100 2.800 6.300 3.180 3.032 3.286 . 0 0 "[ .]" 2
144 1 15 ALA HA 1 18 LEU MD1 3.700 2.300 5.400 2.023 1.604 2.274 0.696 4 1 "[ +.]" 2
145 1 15 ALA HA 1 18 LEU MD2 4.500 3.100 7.000 3.966 3.458 4.370 . 0 0 "[ .]" 2
146 1 15 ALA MB 1 18 LEU MD1 3.800 2.700 5.700 3.348 2.910 3.750 . 0 0 "[ .]" 2
147 1 15 ALA HA 1 19 PHE HD2 4.000 2.700 6.100 5.664 5.120 6.167 0.067 2 0 "[ .]" 2
148 1 15 ALA MB 1 68 PHE HE2 3.600 2.300 6.000 3.017 2.568 3.309 . 0 0 "[ .]" 2
149 1 16 PHE H 1 16 PHE HA 3.100 2.200 4.100 2.802 2.767 2.823 . 0 0 "[ .]" 2
150 1 16 PHE H 1 16 PHE QD 4.100 2.800 6.200 4.115 4.090 4.133 . 0 0 "[ .]" 2
151 1 16 PHE HA 1 16 PHE QD 3.200 2.100 4.500 2.245 1.992 2.501 0.108 4 0 "[ .]" 2
152 1 16 PHE HB2 1 16 PHE QD 3.900 2.700 5.800 2.634 2.540 2.727 0.160 2 0 "[ .]" 2
153 1 16 PHE HA 1 17 SER H 3.200 2.200 4.500 3.512 3.489 3.530 . 0 0 "[ .]" 2
154 1 16 PHE HA 1 17 SER HB3 4.400 3.000 6.800 5.818 5.789 5.852 . 0 0 "[ .]" 2
155 1 16 PHE H 1 18 LEU H 4.100 2.800 6.200 4.081 3.989 4.145 . 0 0 "[ .]" 2
156 1 16 PHE HA 1 19 PHE HD2 3.600 2.300 5.200 2.419 2.022 2.717 0.278 3 0 "[ .]" 2
157 1 16 PHE HA 1 19 PHE HE2 3.300 2.200 4.700 3.642 2.923 4.051 . 0 0 "[ .]" 2
158 1 16 PHE QD 1 19 PHE HD2 3.300 2.100 4.900 2.863 2.757 2.956 . 0 0 "[ .]" 2
159 1 16 PHE HE1 1 19 PHE HD2 3.200 2.300 4.500 4.436 4.323 4.652 0.152 3 0 "[ .]" 2
160 1 16 PHE HA 1 27 ILE MD 4.100 2.800 6.300 3.468 3.262 3.672 . 0 0 "[ .]" 2
161 1 16 PHE QD 1 27 ILE MD 4.200 2.900 6.700 2.297 2.160 2.356 0.740 3 5 [**+-*] 2
162 1 16 PHE HB3 1 65 PHE HE1 4.400 3.000 7.400 5.792 5.588 5.955 . 0 0 "[ .]" 2
163 1 16 PHE HA 1 68 PHE HE2 3.700 2.600 6.200 5.166 4.278 5.574 . 0 0 "[ .]" 2
164 1 16 PHE QD 1 68 PHE HD2 2.800 . 4.700 4.149 3.711 4.456 . 0 0 "[ .]" 2
165 1 16 PHE HE1 1 68 PHE HB3 3.900 2.800 5.800 4.499 4.336 4.656 . 0 0 "[ .]" 2
166 1 17 SER H 1 17 SER HB3 3.000 2.100 4.000 2.625 2.597 2.647 . 0 0 "[ .]" 2
167 1 17 SER HA 1 17 SER HB3 3.300 2.200 4.700 3.035 3.032 3.036 . 0 0 "[ .]" 2
168 1 17 SER H 1 18 LEU H 3.200 2.300 4.700 2.698 2.630 2.762 . 0 0 "[ .]" 2
169 1 18 LEU H 1 18 LEU HA 2.800 2.200 3.700 2.872 2.826 2.916 . 0 0 "[ .]" 2
170 1 18 LEU H 1 18 LEU HB3 3.900 2.700 5.700 3.647 3.608 3.661 . 0 0 "[ .]" 2
171 1 18 LEU H 1 18 LEU HB2 3.000 2.200 3.900 2.417 2.383 2.460 . 0 0 "[ .]" 2
172 1 18 LEU H 1 18 LEU MD1 3.900 2.700 5.800 2.847 2.249 3.607 0.451 5 0 "[ .]" 2
173 1 18 LEU H 1 18 LEU MD2 4.100 2.800 6.200 3.930 3.513 4.162 . 0 0 "[ .]" 2
174 1 18 LEU HA 1 18 LEU HB3 3.800 2.700 5.600 2.548 2.534 2.556 0.166 3 0 "[ .]" 2
175 1 18 LEU HA 1 18 LEU HB2 3.600 2.500 5.400 3.015 3.012 3.022 . 0 0 "[ .]" 2
176 1 18 LEU HA 1 18 LEU MD1 4.300 3.000 6.500 3.502 3.042 3.834 . 0 0 "[ .]" 2
177 1 18 LEU HA 1 18 LEU MD2 3.800 2.400 5.500 2.792 1.865 3.686 0.535 3 1 "[ + .]" 2
178 1 18 LEU HB2 1 18 LEU MD2 4.100 2.800 6.200 2.922 2.550 3.225 0.250 2 0 "[ .]" 2
179 1 18 LEU H 1 19 PHE H 3.100 2.300 4.600 2.641 2.454 2.830 . 0 0 "[ .]" 2
180 1 18 LEU HB3 1 19 PHE H 4.300 3.000 6.600 3.808 3.731 3.861 . 0 0 "[ .]" 2
181 1 18 LEU HB2 1 19 PHE H 4.500 3.000 7.200 3.042 2.937 3.124 0.063 3 0 "[ .]" 2
182 1 18 LEU H 1 20 ASP H 3.500 2.200 5.200 4.550 4.436 4.633 . 0 0 "[ .]" 2
183 1 18 LEU MD2 1 39 LEU MD1 4.400 2.900 6.800 4.632 4.551 4.741 . 0 0 "[ .]" 2
184 1 19 PHE H 1 19 PHE HA 2.900 2.200 4.000 2.917 2.904 2.942 . 0 0 "[ .]" 2
185 1 19 PHE HA 1 19 PHE HB3 2.600 2.200 3.500 2.428 2.375 2.461 . 0 0 "[ .]" 2
186 1 19 PHE HB3 1 19 PHE HD1 3.700 2.500 5.600 3.015 2.496 3.389 0.004 4 0 "[ .]" 2
187 1 19 PHE H 1 20 ASP H 2.900 2.500 3.800 2.531 2.434 2.575 0.066 4 0 "[ .]" 2
188 1 19 PHE HA 1 20 ASP H 3.500 2.200 4.500 3.582 3.550 3.602 . 0 0 "[ .]" 2
189 1 19 PHE H 1 21 LYS HA 4.300 3.000 6.600 5.710 5.654 5.733 . 0 0 "[ .]" 2
190 1 19 PHE HD2 1 27 ILE MD 3.700 2.400 5.700 2.408 2.204 2.710 0.196 1 0 "[ .]" 2
191 1 19 PHE HE2 1 27 ILE MG 4.400 3.000 6.900 5.441 5.344 5.634 . 0 0 "[ .]" 2
192 1 19 PHE HB3 1 28 THR H 3.800 2.700 5.900 5.392 4.748 5.907 0.007 1 0 "[ .]" 2
193 1 19 PHE HD1 1 32 LEU HA 3.700 2.300 5.500 4.482 2.047 5.981 0.481 5 0 "[ .]" 2
194 1 19 PHE HE1 1 32 LEU HA 4.300 2.800 6.600 5.317 3.099 6.743 0.143 1 0 "[ .]" 2
195 1 19 PHE HD1 1 35 VAL MG2 3.800 2.700 6.000 2.436 2.283 2.698 0.417 2 0 "[ .]" 2
196 1 19 PHE HE1 1 35 VAL HB 3.600 2.300 5.700 4.025 2.324 5.120 . 0 0 "[ .]" 2
197 1 19 PHE HE1 1 35 VAL MG1 3.500 2.300 6.000 2.739 2.642 2.928 . 0 0 "[ .]" 2
198 1 19 PHE HE1 1 35 VAL MG2 3.800 2.700 5.200 3.374 3.130 3.683 . 0 0 "[ .]" 2
199 1 19 PHE HZ 1 36 MET H 4.300 2.800 6.600 6.171 5.817 6.478 . 0 0 "[ .]" 2
200 1 19 PHE HZ 1 36 MET HA 4.300 2.800 6.600 6.236 5.482 6.750 0.150 4 0 "[ .]" 2
201 1 19 PHE HE1 1 36 MET ME 3.900 2.700 6.200 4.101 2.279 5.191 0.421 3 0 "[ .]" 2
202 1 19 PHE HE1 1 39 LEU MD2 3.900 2.600 6.000 4.564 3.813 5.125 . 0 0 "[ .]" 2
203 1 19 PHE HZ 1 68 PHE HD1 3.700 2.500 5.300 4.866 3.796 5.556 0.256 5 0 "[ .]" 2
204 1 20 ASP H 1 20 ASP HA 3.000 2.500 3.700 2.886 2.874 2.913 . 0 0 "[ .]" 2
205 1 20 ASP H 1 20 ASP HB3 3.200 2.200 4.200 2.668 2.614 2.713 . 0 0 "[ .]" 2
206 1 20 ASP HA 1 21 LYS H 2.700 2.300 3.300 2.086 1.976 2.130 0.324 1 0 "[ .]" 2
207 1 20 ASP H 1 27 ILE MD 4.300 2.900 6.400 4.137 3.761 4.612 . 0 0 "[ .]" 2
208 1 20 ASP HA 1 27 ILE MD 4.600 2.700 7.200 5.242 5.034 5.358 . 0 0 "[ .]" 2
209 1 21 LYS H 1 21 LYS HA 2.600 2.200 3.200 2.947 2.919 2.966 . 0 0 "[ .]" 2
210 1 21 LYS H 1 21 LYS HB3 3.100 2.200 4.500 2.673 2.491 2.827 . 0 0 "[ .]" 2
211 1 21 LYS H 1 21 LYS HD3 3.400 2.100 5.000 3.931 2.222 4.833 . 0 0 "[ .]" 2
212 1 21 LYS HA 1 21 LYS HB3 2.800 2.100 3.800 2.487 2.390 2.568 . 0 0 "[ .]" 2
213 1 21 LYS HA 1 21 LYS HD3 3.500 2.200 5.100 4.740 4.060 5.379 0.279 1 0 "[ .]" 2
214 1 21 LYS HA 1 22 ASP H 3.500 2.200 4.700 3.445 3.393 3.469 . 0 0 "[ .]" 2
215 1 21 LYS HE3 1 23 GLY H 3.800 2.700 5.700 5.032 4.705 5.739 0.039 4 0 "[ .]" 2
216 1 21 LYS H 1 31 GLU HG3 4.100 2.900 6.200 5.206 4.854 6.250 0.050 1 0 "[ .]" 2
217 1 21 LYS HE2 1 34 THR MG 4.300 2.800 6.800 5.023 3.887 5.540 . 0 0 "[ .]" 2
218 1 22 ASP H 1 22 ASP HA 2.900 2.300 3.900 2.928 2.922 2.932 . 0 0 "[ .]" 2
219 1 22 ASP HA 1 22 ASP HB3 2.800 2.200 3.800 2.373 2.367 2.386 . 0 0 "[ .]" 2
220 1 22 ASP HA 1 22 ASP HB2 2.900 2.200 3.900 2.549 2.542 2.556 . 0 0 "[ .]" 2
221 1 22 ASP H 1 23 GLY H 2.500 2.200 2.900 2.144 2.070 2.242 0.130 4 0 "[ .]" 2
222 1 22 ASP HA 1 23 GLY HA3 4.200 2.900 6.300 4.506 4.443 4.551 . 0 0 "[ .]" 2
223 1 22 ASP H 1 24 ASP H 3.100 2.300 4.600 3.798 3.684 3.917 . 0 0 "[ .]" 2
224 1 22 ASP HB2 1 24 ASP HA 3.400 2.200 4.900 4.849 4.739 5.014 0.114 4 0 "[ .]" 2
225 1 23 GLY H 1 24 ASP H 2.600 2.100 3.200 2.339 2.277 2.438 . 0 0 "[ .]" 2
226 1 24 ASP H 1 24 ASP HB2 3.700 2.600 5.300 3.674 3.650 3.694 . 0 0 "[ .]" 2
227 1 24 ASP HA 1 24 ASP HB3 3.700 2.600 5.300 2.424 2.399 2.440 0.201 4 0 "[ .]" 2
228 1 24 ASP HA 1 24 ASP HB2 2.700 2.200 3.400 2.448 2.413 2.495 . 0 0 "[ .]" 2
229 1 24 ASP H 1 25 GLY H 2.600 2.200 3.100 2.280 2.215 2.324 . 0 0 "[ .]" 2
230 1 24 ASP H 1 26 THR H 3.100 2.300 4.600 3.388 3.328 3.468 . 0 0 "[ .]" 2
231 1 25 GLY H 1 25 GLY HA3 2.900 2.200 3.900 2.953 2.940 2.961 . 0 0 "[ .]" 2
232 1 25 GLY H 1 25 GLY HA2 2.900 2.200 3.900 2.393 2.384 2.404 . 0 0 "[ .]" 2
233 1 25 GLY H 1 26 THR H 2.600 2.100 3.200 2.366 2.306 2.409 . 0 0 "[ .]" 2
234 1 25 GLY HA3 1 26 THR H 3.200 2.300 4.200 3.540 3.526 3.566 . 0 0 "[ .]" 2
235 1 25 GLY HA2 1 26 THR H 3.000 2.300 3.900 3.124 3.042 3.175 . 0 0 "[ .]" 2
236 1 26 THR H 1 26 THR HA 4.200 2.900 6.400 2.878 2.836 2.896 0.064 3 0 "[ .]" 2
237 1 26 THR H 1 26 THR HB 3.800 2.600 5.200 3.910 3.782 3.980 . 0 0 "[ .]" 2
238 1 26 THR H 1 26 THR MG 3.500 2.200 5.200 3.403 3.331 3.476 . 0 0 "[ .]" 2
239 1 26 THR HA 1 26 THR HB 3.900 2.600 5.500 2.466 2.365 2.610 0.235 3 0 "[ .]" 2
240 1 26 THR HA 1 26 THR MG 3.800 2.600 5.200 2.398 2.307 2.449 0.293 1 0 "[ .]" 2
241 1 26 THR HB 1 26 THR MG 3.200 2.200 4.700 2.123 2.111 2.150 0.089 3 0 "[ .]" 2
242 1 26 THR HA 1 27 ILE H 3.200 2.200 4.600 2.005 1.923 2.056 0.277 4 0 "[ .]" 2
243 1 26 THR HB 1 27 ILE H 3.800 2.500 5.300 3.234 3.008 3.526 . 0 0 "[ .]" 2
244 1 26 THR MG 1 27 ILE H 4.900 3.300 7.800 3.835 3.759 3.962 . 0 0 "[ .]" 2
245 1 26 THR HB 1 62 THR HB 3.900 2.600 5.600 2.843 2.676 3.114 . 0 0 "[ .]" 2
246 1 26 THR HB 1 63 ILE H 4.400 3.000 6.800 4.283 4.061 4.487 . 0 0 "[ .]" 2
247 1 27 ILE H 1 27 ILE MD 4.500 2.900 7.000 3.739 3.615 3.819 . 0 0 "[ .]" 2
248 1 27 ILE H 1 27 ILE MG 4.600 3.100 7.100 3.868 3.835 3.909 . 0 0 "[ .]" 2
249 1 27 ILE HA 1 27 ILE MG 3.900 2.900 5.800 2.487 2.452 2.527 0.448 5 0 "[ .]" 2
250 1 27 ILE HB 1 27 ILE HG12 3.400 2.100 5.000 3.031 3.024 3.035 . 0 0 "[ .]" 2
251 1 27 ILE HB 1 27 ILE MG 3.900 2.200 5.900 2.144 2.139 2.148 0.061 4 0 "[ .]" 2
252 1 27 ILE MD 1 27 ILE MG 4.000 2.700 6.000 1.892 1.812 1.992 0.888 1 5 [+**-*] 2
253 1 27 ILE HA 1 28 THR H 3.500 2.100 5.400 2.031 1.978 2.114 0.122 2 0 "[ .]" 2
254 1 27 ILE MG 1 28 THR H 4.100 2.800 6.300 3.056 3.011 3.116 . 0 0 "[ .]" 2
255 1 27 ILE MG 1 28 THR MG 5.600 3.300 8.600 4.422 4.396 4.462 . 0 0 "[ .]" 2
256 1 27 ILE MG 1 31 GLU H 4.100 2.800 6.400 4.306 4.256 4.387 . 0 0 "[ .]" 2
257 1 27 ILE MG 1 32 LEU H 4.100 2.900 6.400 3.092 3.024 3.292 . 0 0 "[ .]" 2
258 1 27 ILE MG 1 32 LEU HA 3.700 2.600 5.300 3.320 3.209 3.380 . 0 0 "[ .]" 2
259 1 27 ILE MG 1 32 LEU HB2 4.000 2.700 6.000 2.988 2.895 3.167 . 0 0 "[ .]" 2
260 1 27 ILE MG 1 34 THR HB 4.800 3.200 7.700 5.797 5.557 5.867 . 0 0 "[ .]" 2
261 1 27 ILE MG 1 35 VAL HB 4.700 3.200 7.500 4.800 4.155 5.369 . 0 0 "[ .]" 2
262 1 27 ILE HB 1 52 ILE MD 3.700 2.700 5.300 3.653 3.449 3.806 . 0 0 "[ .]" 2
263 1 27 ILE H 1 63 ILE H . 2.600 2.700 2.872 2.815 2.946 0.246 5 0 "[ .]" 2
264 1 27 ILE MD 1 63 ILE MG 4.000 2.800 6.000 2.178 2.013 2.542 0.787 3 4 "[ *+*-]" 2
265 1 27 ILE MG 1 63 ILE HB 3.900 2.800 5.700 2.718 2.614 2.806 0.186 3 0 "[ .]" 2
266 1 27 ILE MD 1 68 PHE HD1 3.800 2.700 5.500 3.807 3.735 3.962 . 0 0 "[ .]" 2
267 1 27 ILE MD 1 68 PHE HE1 4.000 2.800 6.000 5.018 4.918 5.224 . 0 0 "[ .]" 2
268 1 28 THR H 1 28 THR MG 3.900 2.600 5.700 2.110 2.064 2.171 0.536 4 2 "[ +-]" 2
269 1 28 THR HA 1 28 THR MG 3.000 2.300 4.000 2.515 2.488 2.541 . 0 0 "[ .]" 2
270 1 28 THR HA 1 29 THR H 2.500 2.200 3.000 2.298 2.247 2.385 . 0 0 "[ .]" 2
271 1 28 THR MG 1 29 THR H 3.500 2.200 5.200 3.792 3.753 3.821 . 0 0 "[ .]" 2
272 1 28 THR MG 1 30 LYS H 3.800 2.700 5.700 4.446 4.397 4.510 . 0 0 "[ .]" 2
273 1 28 THR H 1 31 GLU H 3.700 2.600 5.600 3.884 3.628 4.061 . 0 0 "[ .]" 2
274 1 28 THR HA 1 62 THR MG 4.100 2.800 6.100 2.762 2.586 2.863 0.214 4 0 "[ .]" 2
275 1 28 THR HA 1 63 ILE H 3.900 2.700 6.300 4.195 4.045 4.274 . 0 0 "[ .]" 2
276 1 29 THR H 1 29 THR HA 3.000 2.200 4.400 2.820 2.808 2.831 . 0 0 "[ .]" 2
277 1 29 THR H 1 29 THR HB 3.600 2.300 5.100 3.631 3.613 3.649 . 0 0 "[ .]" 2
278 1 29 THR HA 1 29 THR HB 3.400 2.100 4.800 2.374 2.357 2.381 . 0 0 "[ .]" 2
279 1 29 THR HB 1 29 THR MG 3.400 2.100 4.800 2.142 2.140 2.144 . 0 0 "[ .]" 2
280 1 29 THR H 1 30 LYS H 3.100 2.400 4.200 2.650 2.622 2.697 . 0 0 "[ .]" 2
281 1 29 THR HA 1 32 LEU H 4.300 2.800 6.500 3.275 3.029 3.419 . 0 0 "[ .]" 2
282 1 29 THR HA 1 32 LEU QD 4.500 3.100 7.000 3.798 3.633 4.086 . 0 0 "[ .]" 2
283 1 29 THR MG 1 49 GLN H 3.900 2.700 6.200 4.551 4.378 4.753 . 0 0 "[ .]" 2
284 1 29 THR MG 1 49 GLN HA 3.500 2.400 5.000 2.710 2.454 2.879 . 0 0 "[ .]" 2
285 1 29 THR MG 1 49 GLN HB2 4.400 3.000 7.100 3.860 3.467 4.085 . 0 0 "[ .]" 2
286 1 29 THR MG 1 49 GLN HG2 4.400 3.000 7.100 4.864 3.448 5.435 . 0 0 "[ .]" 2
287 1 29 THR H 1 52 ILE MD 4.000 2.600 6.000 2.907 2.867 2.975 . 0 0 "[ .]" 2
288 1 29 THR HA 1 52 ILE MD 3.900 2.600 5.800 2.064 1.936 2.156 0.664 4 4 "[** +-]" 2
289 1 29 THR MG 1 52 ILE H 4.800 3.300 7.600 4.596 4.476 4.644 . 0 0 "[ .]" 2
290 1 29 THR MG 1 52 ILE MD 3.900 2.700 5.700 2.134 1.909 2.338 0.791 3 4 "[**+ -]" 2
291 1 30 LYS H 1 30 LYS HA 2.900 2.300 3.700 2.884 2.865 2.903 . 0 0 "[ .]" 2
292 1 30 LYS H 1 30 LYS HB3 2.900 2.300 3.700 2.858 2.786 2.896 . 0 0 "[ .]" 2
293 1 30 LYS H 1 30 LYS HG3 3.900 2.600 5.800 4.667 4.643 4.678 . 0 0 "[ .]" 2
294 1 30 LYS HA 1 30 LYS HB3 3.400 2.400 5.000 3.017 3.010 3.035 . 0 0 "[ .]" 2
295 1 30 LYS HA 1 30 LYS HD3 3.500 2.200 5.100 3.610 3.329 3.754 . 0 0 "[ .]" 2
296 1 30 LYS HA 1 30 LYS HE2 3.800 2.300 5.500 3.241 2.285 3.714 0.015 3 0 "[ .]" 2
297 1 30 LYS HB2 1 30 LYS HG3 3.300 2.400 4.800 3.040 3.035 3.048 . 0 0 "[ .]" 2
298 1 30 LYS HD2 1 30 LYS HE2 2.800 2.100 4.000 2.488 2.453 2.527 . 0 0 "[ .]" 2
299 1 30 LYS HD2 1 30 LYS HG3 2.400 2.100 2.900 2.824 2.697 2.926 0.026 3 0 "[ .]" 2
300 1 30 LYS HE2 1 30 LYS HG3 2.900 2.200 3.900 2.908 2.327 3.604 . 0 0 "[ .]" 2
301 1 30 LYS HB3 1 31 GLU H 3.100 2.300 4.600 2.648 2.598 2.712 . 0 0 "[ .]" 2
302 1 30 LYS HD3 1 45 GLU HG2 3.700 2.500 5.800 5.700 5.427 5.995 0.195 3 0 "[ .]" 2
303 1 30 LYS HA 1 48 LEU MD1 4.100 2.800 6.600 4.288 4.060 4.574 . 0 0 "[ .]" 2
304 1 30 LYS HA 1 48 LEU HG 3.700 2.300 5.900 3.089 2.663 3.626 . 0 0 "[ .]" 2
305 1 30 LYS HE2 1 48 LEU MD1 4.200 2.900 6.800 4.398 3.908 5.211 . 0 0 "[ .]" 2
306 1 30 LYS HE2 1 48 LEU HG 3.500 2.200 5.500 4.590 4.059 5.266 . 0 0 "[ .]" 2
307 1 31 GLU H 1 31 GLU HG3 3.000 2.200 4.000 2.440 2.368 2.506 . 0 0 "[ .]" 2
308 1 31 GLU H 1 32 LEU H 3.100 2.300 4.100 2.707 2.578 2.776 . 0 0 "[ .]" 2
309 1 31 GLU HA 1 32 LEU H 3.100 2.300 4.100 3.607 3.569 3.626 . 0 0 "[ .]" 2
310 1 31 GLU H 1 33 GLY H 4.000 2.600 6.000 4.068 4.041 4.079 . 0 0 "[ .]" 2
311 1 31 GLU HA 1 33 GLY H 3.200 2.300 4.300 4.194 4.056 4.330 0.030 4 0 "[ .]" 2
312 1 32 LEU H 1 32 LEU HB3 2.900 2.300 3.700 2.697 2.597 2.945 . 0 0 "[ .]" 2
313 1 32 LEU HA 1 32 LEU QD 3.900 2.700 5.800 2.424 1.959 3.001 0.741 1 3 "[+ *-.]" 2
314 1 32 LEU HB2 1 32 LEU QD 3.900 2.700 5.800 2.277 2.149 2.406 0.551 5 2 "[ - +]" 2
315 1 32 LEU HB3 1 33 GLY H 3.600 2.400 5.100 2.442 2.244 2.545 0.156 3 0 "[ .]" 2
316 1 32 LEU QD 1 33 GLY HA2 4.700 3.200 7.400 3.102 2.786 3.652 0.414 3 0 "[ .]" 2
317 1 32 LEU HA 1 35 VAL H 4.000 2.800 6.000 3.254 3.019 3.780 . 0 0 "[ .]" 2
318 1 32 LEU HA 1 35 VAL HB 3.500 2.200 5.000 2.592 1.892 3.689 0.308 1 0 "[ .]" 2
319 1 32 LEU HA 1 36 MET HB2 3.600 2.500 5.200 5.224 5.057 5.349 0.149 4 0 "[ .]" 2
320 1 32 LEU HA 1 36 MET ME 3.900 2.700 6.000 4.834 4.573 4.938 . 0 0 "[ .]" 2
321 1 32 LEU QD 1 36 MET HG3 4.000 2.500 6.300 2.498 2.217 2.650 0.283 3 0 "[ .]" 2
322 1 32 LEU QD 1 48 LEU HG 4.100 2.800 6.200 3.495 2.891 4.391 . 0 0 "[ .]" 2
323 1 32 LEU QD 1 48 LEU HA 3.600 2.400 6.300 2.252 1.934 3.119 0.466 2 0 "[ .]" 2
324 1 32 LEU HB2 1 51 MET H 4.100 2.800 6.600 6.784 6.687 6.889 0.289 4 0 "[ .]" 2
325 1 32 LEU QD 1 51 MET H 4.000 2.800 6.000 3.809 3.581 4.069 . 0 0 "[ .]" 2
326 1 32 LEU QD 1 51 MET QB 3.800 2.500 5.700 1.891 1.819 2.063 0.681 5 4 "[ *-*+]" 2
327 1 32 LEU QD 1 51 MET ME 4.500 3.200 7.000 4.145 4.038 4.304 . 0 0 "[ .]" 2
328 1 32 LEU QD 1 51 MET QG 4.500 3.100 7.400 2.317 1.980 2.897 1.120 3 4 "[*-+ *]" 2
329 1 32 LEU QD 1 52 ILE MD 4.200 2.900 6.500 3.020 2.747 3.462 0.153 1 0 "[ .]" 2
330 1 33 GLY H 1 33 GLY HA3 3.200 2.200 4.400 2.414 2.383 2.450 . 0 0 "[ .]" 2
331 1 33 GLY H 1 33 GLY HA2 3.000 2.300 3.900 2.860 2.838 2.880 . 0 0 "[ .]" 2
332 1 33 GLY H 1 34 THR H 2.900 2.300 3.700 2.781 2.685 2.872 . 0 0 "[ .]" 2
333 1 33 GLY HA3 1 48 LEU MD1 3.500 2.300 5.100 2.398 2.272 2.612 0.028 3 0 "[ .]" 2
334 1 33 GLY HA2 1 48 LEU MD2 4.500 3.000 7.200 3.714 3.157 4.039 . 0 0 "[ .]" 2
335 1 34 THR H 1 34 THR HA 2.700 2.200 3.300 2.878 2.850 2.901 . 0 0 "[ .]" 2
336 1 34 THR H 1 34 THR HB 2.700 2.200 3.300 2.469 2.451 2.487 . 0 0 "[ .]" 2
337 1 34 THR H 1 34 THR MG 3.600 2.300 5.300 3.793 3.762 3.819 . 0 0 "[ .]" 2
338 1 34 THR HA 1 34 THR MG 3.300 2.300 4.700 2.471 2.444 2.495 . 0 0 "[ .]" 2
339 1 34 THR HB 1 34 THR MG 2.800 2.200 3.700 2.141 2.138 2.146 0.062 1 0 "[ .]" 2
340 1 34 THR H 1 35 VAL H 3.000 2.200 4.000 2.714 2.611 2.883 . 0 0 "[ .]" 2
341 1 34 THR H 1 35 VAL HA 4.100 2.800 6.300 5.324 5.285 5.378 . 0 0 "[ .]" 2
342 1 34 THR HA 1 35 VAL H 4.800 3.200 7.600 3.535 3.491 3.594 . 0 0 "[ .]" 2
343 1 34 THR HB 1 35 VAL H 3.200 2.100 4.400 2.583 2.378 2.658 . 0 0 "[ .]" 2
344 1 34 THR MG 1 35 VAL H 3.900 2.700 6.400 3.408 3.282 3.510 . 0 0 "[ .]" 2
345 1 34 THR MG 1 35 VAL MG2 4.900 2.900 7.600 3.459 2.971 3.819 . 0 0 "[ .]" 2
346 1 34 THR HA 1 37 ARG H 4.000 2.700 6.000 3.833 3.748 3.987 . 0 0 "[ .]" 2
347 1 34 THR HB 1 38 SER H 3.800 2.600 5.600 5.746 5.712 5.798 0.198 4 0 "[ .]" 2
348 1 34 THR H 1 48 LEU MD1 4.800 3.200 7.800 4.701 4.648 4.766 . 0 0 "[ .]" 2
349 1 35 VAL H 1 35 VAL HA 3.300 2.200 4.500 2.817 2.771 2.870 . 0 0 "[ .]" 2
350 1 35 VAL H 1 35 VAL HB 2.800 2.200 3.500 2.415 2.311 2.544 . 0 0 "[ .]" 2
351 1 35 VAL H 1 35 VAL MG2 3.500 2.200 5.100 1.954 1.888 2.139 0.312 2 0 "[ .]" 2
352 1 35 VAL HA 1 35 VAL MG2 3.500 2.200 5.100 2.303 2.185 2.383 0.015 3 0 "[ .]" 2
353 1 35 VAL HB 1 35 VAL MG1 3.400 2.200 5.000 2.125 2.114 2.144 0.086 1 0 "[ .]" 2
354 1 35 VAL HB 1 35 VAL MG2 3.100 2.200 4.200 2.126 2.116 2.142 0.084 5 0 "[ .]" 2
355 1 35 VAL H 1 36 MET H 3.200 2.400 4.400 3.000 2.794 3.123 . 0 0 "[ .]" 2
356 1 35 VAL MG1 1 36 MET ME 3.600 2.300 5.400 2.034 1.850 2.480 0.450 1 0 "[ .]" 2
357 1 35 VAL MG2 1 36 MET H 4.600 3.100 7.200 3.684 3.602 3.862 . 0 0 "[ .]" 2
358 1 35 VAL MG2 1 36 MET ME 4.800 3.200 7.600 4.334 4.313 4.377 . 0 0 "[ .]" 2
359 1 35 VAL HB 1 38 SER H 3.500 2.600 5.200 5.145 5.099 5.233 0.033 4 0 "[ .]" 2
360 1 35 VAL MG1 1 38 SER H 3.900 2.800 5.800 4.484 4.168 4.672 . 0 0 "[ .]" 2
361 1 35 VAL MG2 1 38 SER H 4.000 2.800 6.000 4.905 4.496 5.102 . 0 0 "[ .]" 2
362 1 35 VAL HA 1 39 LEU MD2 4.100 2.800 6.300 4.841 4.624 5.040 . 0 0 "[ .]" 2
363 1 35 VAL MG2 1 39 LEU MD1 4.500 3.400 7.000 4.350 3.826 4.631 . 0 0 "[ .]" 2
364 1 35 VAL MG1 1 68 PHE HE1 3.900 2.800 6.000 3.960 3.342 4.987 . 0 0 "[ .]" 2
365 1 36 MET H 1 36 MET ME 4.000 2.700 6.000 3.058 2.867 3.176 . 0 0 "[ .]" 2
366 1 36 MET H 1 36 MET HG3 3.900 2.400 5.800 3.794 3.731 3.883 . 0 0 "[ .]" 2
367 1 36 MET ME 1 36 MET HG3 4.100 2.800 6.200 3.192 3.176 3.208 . 0 0 "[ .]" 2
368 1 36 MET H 1 37 ARG HB2 3.600 2.300 5.400 5.042 4.978 5.124 . 0 0 "[ .]" 2
369 1 36 MET HA 1 37 ARG H 2.900 2.100 4.200 3.444 3.435 3.467 . 0 0 "[ .]" 2
370 1 36 MET H 1 39 LEU MD2 4.200 2.900 6.500 4.634 4.368 4.755 . 0 0 "[ .]" 2
371 1 36 MET ME 1 41 GLN HB2 4.200 2.800 6.400 5.361 5.273 5.479 . 0 0 "[ .]" 2
372 1 36 MET HG3 1 41 GLN HB2 3.900 2.800 5.900 5.381 5.105 5.758 . 0 0 "[ .]" 2
373 1 36 MET HB3 1 43 PRO HA 3.800 2.700 5.800 5.203 5.136 5.325 . 0 0 "[ .]" 2
374 1 36 MET HG2 1 51 MET QG 3.300 . 4.700 4.110 3.667 4.498 . 0 0 "[ .]" 2
375 1 36 MET HG2 1 51 MET ME 3.800 2.500 5.800 5.877 5.669 6.103 0.303 3 0 "[ .]" 2
376 1 36 MET HG3 1 51 MET QG 3.500 2.400 5.100 2.982 2.722 3.335 . 0 0 "[ .]" 2
377 1 36 MET ME 1 68 PHE HE1 4.100 2.600 6.200 3.993 3.678 4.627 . 0 0 "[ .]" 2
378 1 36 MET ME 1 71 MET ME 4.300 2.800 6.600 3.112 2.544 3.891 0.256 2 0 "[ .]" 2
379 1 36 MET ME 1 72 MET ME 4.400 3.000 7.300 4.040 3.865 4.444 . 0 0 "[ .]" 2
380 1 37 ARG H 1 37 ARG HA 3.900 2.700 5.800 2.880 2.873 2.892 . 0 0 "[ .]" 2
381 1 37 ARG H 1 37 ARG HD2 4.100 2.800 6.200 4.162 4.124 4.219 . 0 0 "[ .]" 2
382 1 37 ARG HA 1 37 ARG HB2 3.500 2.400 5.100 2.549 2.525 2.566 . 0 0 "[ .]" 2
383 1 37 ARG H 1 38 SER H 2.600 2.100 3.200 2.668 2.624 2.686 . 0 0 "[ .]" 2
384 1 37 ARG HD3 1 38 SER H 4.400 3.000 6.900 6.251 6.118 6.380 . 0 0 "[ .]" 2
385 1 37 ARG HD2 1 41 GLN HB2 3.300 2.200 4.800 4.901 4.850 4.940 0.140 1 0 "[ .]" 2
386 1 37 ARG H 1 43 PRO HB3 3.600 2.400 5.300 5.180 5.104 5.279 . 0 0 "[ .]" 2
387 1 37 ARG HD2 1 43 PRO HB3 3.700 2.600 5.700 5.604 5.560 5.644 . 0 0 "[ .]" 2
388 1 38 SER H 1 38 SER HB3 3.300 2.400 4.500 2.638 2.611 2.674 . 0 0 "[ .]" 2
389 1 38 SER H 1 38 SER HB2 3.100 2.200 4.200 3.664 3.649 3.672 . 0 0 "[ .]" 2
390 1 38 SER HA 1 39 LEU MD1 4.900 3.300 7.800 4.450 4.415 4.499 . 0 0 "[ .]" 2
391 1 38 SER HB3 1 39 LEU HA 4.100 2.800 6.300 5.699 5.666 5.752 . 0 0 "[ .]" 2
392 1 39 LEU HA 1 39 LEU MD1 3.800 2.700 5.600 2.368 2.298 2.419 0.402 4 0 "[ .]" 2
393 1 39 LEU HA 1 39 LEU MD2 3.300 . 4.700 3.874 3.860 3.883 . 0 0 "[ .]" 2
394 1 39 LEU MD1 1 39 LEU HG 2.800 2.200 3.700 2.123 2.122 2.125 0.078 4 0 "[ .]" 2
395 1 39 LEU MD2 1 39 LEU HG 2.800 2.200 3.700 2.130 2.128 2.132 0.072 4 0 "[ .]" 2
396 1 39 LEU H 1 40 GLY H 3.000 2.200 4.000 2.653 2.513 2.727 . 0 0 "[ .]" 2
397 1 39 LEU MD2 1 40 GLY H 4.000 2.800 6.000 5.162 5.122 5.177 . 0 0 "[ .]" 2
398 1 39 LEU HA 1 41 GLN HG2 3.900 2.700 5.700 5.363 5.271 5.438 . 0 0 "[ .]" 2
399 1 39 LEU HB2 1 41 GLN H 4.100 2.800 6.200 4.763 4.652 4.890 . 0 0 "[ .]" 2
400 1 39 LEU MD2 1 72 MET ME 4.100 2.800 6.700 4.115 3.603 4.633 . 0 0 "[ .]" 2
401 1 40 GLY H 1 40 GLY HA3 2.500 2.200 3.000 2.947 2.942 2.951 . 0 0 "[ .]" 2
402 1 40 GLY H 1 40 GLY HA2 3.200 2.300 4.600 2.368 2.358 2.376 . 0 0 "[ .]" 2
403 1 40 GLY HA2 1 41 GLN H 3.600 2.500 5.200 2.555 2.425 2.596 0.075 1 0 "[ .]" 2
404 1 41 GLN H 1 41 GLN HA 3.000 2.300 4.000 2.957 2.947 2.964 . 0 0 "[ .]" 2
405 1 41 GLN H 1 41 GLN HG2 3.400 2.200 5.000 3.517 3.497 3.564 . 0 0 "[ .]" 2
406 1 41 GLN HB2 1 41 GLN HG3 3.500 2.200 5.100 2.455 2.415 2.475 . 0 0 "[ .]" 2
407 1 41 GLN HA 1 42 ASN H 3.300 2.300 4.500 2.606 2.564 2.628 . 0 0 "[ .]" 2
408 1 41 GLN HB2 1 42 ASN HA 4.500 3.000 6.900 4.434 4.392 4.480 . 0 0 "[ .]" 2
409 1 42 ASN H 1 42 ASN HB3 4.000 2.700 6.000 2.927 2.878 2.966 . 0 0 "[ .]" 2
410 1 42 ASN H 1 42 ASN HB2 4.000 2.600 6.000 3.188 3.175 3.206 . 0 0 "[ .]" 2
411 1 42 ASN HA 1 42 ASN HB3 3.900 2.600 5.700 3.033 3.031 3.035 . 0 0 "[ .]" 2
412 1 42 ASN HA 1 42 ASN HB2 3.900 2.600 5.700 2.526 2.504 2.536 0.096 3 0 "[ .]" 2
413 1 42 ASN HB3 1 42 ASN HD21 2.900 2.200 3.700 3.182 2.713 3.524 . 0 0 "[ .]" 2
414 1 42 ASN HB3 1 42 ASN HD22 3.700 2.300 5.300 3.897 3.662 4.076 . 0 0 "[ .]" 2
415 1 42 ASN HB2 1 42 ASN HD21 2.900 2.200 3.700 2.307 2.159 2.373 0.041 1 0 "[ .]" 2
416 1 42 ASN HB2 1 42 ASN HD22 3.500 2.200 5.100 3.499 3.436 3.529 . 0 0 "[ .]" 2
417 1 42 ASN HA 1 43 PRO HD3 3.600 2.300 5.600 2.273 2.236 2.336 0.064 5 0 "[ .]" 2
418 1 42 ASN HA 1 43 PRO HD2 3.600 2.300 5.600 2.077 2.043 2.106 0.257 3 0 "[ .]" 2
419 1 43 PRO HD2 1 43 PRO HG2 3.800 2.500 5.600 2.320 2.315 2.324 0.185 2 0 "[ .]" 2
420 1 43 PRO HA 1 44 THR H 2.600 2.200 3.300 2.135 2.099 2.170 0.101 3 0 "[ .]" 2
421 1 43 PRO HA 1 47 GLU HB2 3.800 2.700 6.400 2.949 2.843 3.088 . 0 0 "[ .]" 2
422 1 43 PRO HB3 1 47 GLU HA 3.700 2.800 5.500 5.601 5.543 5.698 0.198 1 0 "[ .]" 2
423 1 43 PRO HB2 1 51 MET QG 4.000 2.900 5.300 4.249 4.082 4.454 . 0 0 "[ .]" 2
424 1 44 THR H 1 44 THR MG 3.200 2.400 4.600 3.769 3.764 3.776 . 0 0 "[ .]" 2
425 1 44 THR HA 1 44 THR MG 3.100 2.300 4.300 2.461 2.413 2.511 . 0 0 "[ .]" 2
426 1 44 THR HA 1 45 GLU H 3.200 2.300 4.700 2.524 2.458 2.579 . 0 0 "[ .]" 2
427 1 44 THR HB 1 45 GLU H 3.500 2.200 5.200 3.611 3.493 3.762 . 0 0 "[ .]" 2
428 1 44 THR MG 1 45 GLU HB2 4.100 2.800 6.300 3.167 3.114 3.241 . 0 0 "[ .]" 2
429 1 44 THR MG 1 45 GLU HG3 4.200 2.900 6.500 3.794 3.749 3.864 . 0 0 "[ .]" 2
430 1 44 THR H 1 47 GLU H 3.300 2.400 4.700 3.218 3.170 3.297 . 0 0 "[ .]" 2
431 1 44 THR H 1 47 GLU HG3 3.100 2.100 4.700 2.909 1.966 4.038 0.134 4 0 "[ .]" 2
432 1 45 GLU H 1 45 GLU HA 3.000 2.300 4.000 2.823 2.809 2.831 . 0 0 "[ .]" 2
433 1 45 GLU H 1 45 GLU HB2 2.600 2.200 3.100 2.460 2.410 2.506 . 0 0 "[ .]" 2
434 1 45 GLU H 1 45 GLU HG3 2.800 2.200 3.500 2.385 2.274 2.441 . 0 0 "[ .]" 2
435 1 45 GLU H 1 46 ALA H 2.900 2.200 3.700 2.681 2.653 2.724 . 0 0 "[ .]" 2
436 1 45 GLU HB2 1 46 ALA H 3.100 2.300 4.600 2.683 2.627 2.703 . 0 0 "[ .]" 2
437 1 45 GLU HG3 1 46 ALA H 3.300 2.400 4.800 4.422 4.352 4.463 . 0 0 "[ .]" 2
438 1 46 ALA H 1 46 ALA MB 2.900 2.100 4.100 2.240 2.228 2.249 . 0 0 "[ .]" 2
439 1 46 ALA H 1 47 GLU H 2.800 2.200 3.500 2.710 2.701 2.717 . 0 0 "[ .]" 2
440 1 46 ALA MB 1 47 GLU H 3.200 2.300 4.400 2.472 2.365 2.560 . 0 0 "[ .]" 2
441 1 47 GLU H 1 47 GLU HG2 3.000 2.300 3.800 3.162 2.323 3.704 . 0 0 "[ .]" 2
442 1 47 GLU HA 1 47 GLU HB2 3.000 2.200 4.000 3.005 2.986 3.019 . 0 0 "[ .]" 2
443 1 47 GLU H 1 48 LEU H 2.900 2.200 3.800 2.763 2.682 2.865 . 0 0 "[ .]" 2
444 1 47 GLU HA 1 48 LEU H 3.400 2.300 5.000 3.480 3.443 3.524 . 0 0 "[ .]" 2
445 1 47 GLU HB3 1 48 LEU H 3.600 2.400 5.300 3.868 3.785 3.936 . 0 0 "[ .]" 2
446 1 47 GLU HB2 1 48 LEU MD1 3.800 2.600 6.200 2.829 2.740 2.916 . 0 0 "[ .]" 2
447 1 47 GLU HA 1 50 ASP HB3 3.800 2.700 5.700 4.178 4.012 4.254 . 0 0 "[ .]" 2
448 1 47 GLU HA 1 51 MET ME 3.600 2.300 5.500 4.129 3.655 4.432 . 0 0 "[ .]" 2
449 1 47 GLU HB3 1 51 MET HA 3.600 2.300 5.500 5.547 5.446 5.692 0.192 2 0 "[ .]" 2
450 1 48 LEU H 1 48 LEU MD1 3.500 2.300 5.100 2.284 2.255 2.297 0.045 4 0 "[ .]" 2
451 1 48 LEU HB3 1 48 LEU MD1 3.600 2.300 5.200 3.213 3.186 3.284 . 0 0 "[ .]" 2
452 1 48 LEU MD1 1 48 LEU HG 2.900 2.300 3.600 2.120 2.114 2.128 0.186 1 0 "[ .]" 2
453 1 48 LEU H 1 49 GLN HB3 3.300 2.400 4.900 4.665 4.586 4.740 . 0 0 "[ .]" 2
454 1 49 GLN H 1 49 GLN HA 3.000 2.300 3.900 2.892 2.882 2.907 . 0 0 "[ .]" 2
455 1 49 GLN H 1 49 GLN HG2 3.800 2.700 5.600 4.586 4.500 4.645 . 0 0 "[ .]" 2
456 1 49 GLN HA 1 49 GLN HB3 3.300 2.400 4.800 3.028 3.026 3.031 . 0 0 "[ .]" 2
457 1 49 GLN HA 1 49 GLN HG3 3.300 2.300 4.500 2.823 2.482 3.534 . 0 0 "[ .]" 2
458 1 49 GLN HA 1 49 GLN HG2 3.300 2.300 4.800 3.481 2.481 3.776 . 0 0 "[ .]" 2
459 1 49 GLN HB3 1 49 GLN HE21 3.300 2.300 4.900 3.899 3.488 4.063 . 0 0 "[ .]" 2
460 1 49 GLN HB2 1 49 GLN HG2 2.700 2.200 3.400 2.733 2.494 2.854 . 0 0 "[ .]" 2
461 1 49 GLN HE22 1 49 GLN HG2 3.700 2.600 5.500 4.004 3.515 4.146 . 0 0 "[ .]" 2
462 1 49 GLN HA 1 50 ASP H 3.600 2.500 5.300 3.518 3.496 3.553 . 0 0 "[ .]" 2
463 1 49 GLN HB3 1 50 ASP H 2.600 2.300 3.300 2.393 2.335 2.460 . 0 0 "[ .]" 2
464 1 49 GLN H 1 51 MET H 3.600 2.700 5.200 4.046 3.959 4.129 . 0 0 "[ .]" 2
465 1 49 GLN H 1 51 MET QG 4.200 2.900 6.400 5.985 5.552 6.323 . 0 0 "[ .]" 2
466 1 49 GLN H 1 52 ILE HG13 4.100 2.800 6.300 5.658 5.574 5.835 . 0 0 "[ .]" 2
467 1 49 GLN HE21 1 52 ILE MG 4.200 2.900 6.500 4.655 3.851 5.006 . 0 0 "[ .]" 2
468 1 49 GLN H 1 53 ASN H 4.200 2.900 6.600 5.916 5.778 6.033 . 0 0 "[ .]" 2
469 1 49 GLN HG2 1 53 ASN HD21 3.900 2.700 6.400 5.101 4.495 6.261 . 0 0 "[ .]" 2
470 1 50 ASP H 1 50 ASP HA 2.800 2.200 3.500 2.801 2.777 2.814 . 0 0 "[ .]" 2
471 1 50 ASP H 1 50 ASP HB3 2.900 2.100 3.800 3.580 3.547 3.622 . 0 0 "[ .]" 2
472 1 50 ASP H 1 50 ASP HB2 2.500 2.200 3.000 2.458 2.373 2.502 . 0 0 "[ .]" 2
473 1 50 ASP HA 1 50 ASP HB3 3.500 2.200 5.100 2.487 2.469 2.516 . 0 0 "[ .]" 2
474 1 50 ASP HA 1 50 ASP HB2 3.600 2.300 5.300 3.033 3.031 3.038 . 0 0 "[ .]" 2
475 1 50 ASP H 1 51 MET H 2.700 2.200 3.300 2.660 2.578 2.700 . 0 0 "[ .]" 2
476 1 50 ASP HB2 1 51 MET HA 3.700 2.600 5.600 4.329 4.285 4.388 . 0 0 "[ .]" 2
477 1 50 ASP HA 1 53 ASN H 4.100 2.800 6.300 3.311 3.163 3.377 . 0 0 "[ .]" 2
478 1 50 ASP HA 1 53 ASN HB3 3.600 2.300 5.400 2.581 2.305 2.781 . 0 0 "[ .]" 2
479 1 50 ASP HA 1 53 ASN HD22 3.900 2.700 5.900 5.675 5.489 5.933 0.033 3 0 "[ .]" 2
480 1 51 MET H 1 51 MET HA 2.800 2.200 3.500 2.876 2.850 2.892 . 0 0 "[ .]" 2
481 1 51 MET H 1 51 MET ME 3.600 2.400 5.300 4.073 3.708 4.191 . 0 0 "[ .]" 2
482 1 51 MET H 1 51 MET QG 3.200 2.500 4.500 3.259 2.594 3.559 . 0 0 "[ .]" 2
483 1 51 MET HA 1 51 MET QB 3.200 2.300 4.600 2.399 2.379 2.441 . 0 0 "[ .]" 2
484 1 51 MET HA 1 51 MET ME 3.200 2.200 4.500 2.553 2.392 2.599 . 0 0 "[ .]" 2
485 1 51 MET HA 1 51 MET QG 3.700 2.600 5.500 2.911 2.723 3.083 . 0 0 "[ .]" 2
486 1 51 MET ME 1 51 MET QG 3.800 2.600 4.700 2.047 2.020 2.080 0.580 3 5 [**+-*] 2
487 1 51 MET H 1 54 GLU H 3.600 2.300 5.400 4.729 4.669 4.779 . 0 0 "[ .]" 2
488 1 51 MET HA 1 54 GLU QG 2.900 2.100 4.200 1.877 1.846 1.925 0.254 2 0 "[ .]" 2
489 1 51 MET ME 1 54 GLU QG 3.700 3.200 5.500 3.293 3.067 3.570 0.133 4 0 "[ .]" 2
490 1 52 ILE H 1 52 ILE HA 3.400 2.200 4.600 2.900 2.895 2.903 . 0 0 "[ .]" 2
491 1 52 ILE H 1 52 ILE HB 2.500 2.200 2.900 2.349 2.309 2.371 . 0 0 "[ .]" 2
492 1 52 ILE H 1 52 ILE MD 4.100 2.800 6.200 4.101 4.045 4.120 . 0 0 "[ .]" 2
493 1 52 ILE H 1 52 ILE HG13 3.600 2.400 5.100 2.653 2.570 2.675 . 0 0 "[ .]" 2
494 1 52 ILE H 1 52 ILE HG12 3.000 2.300 3.800 3.365 3.286 3.471 . 0 0 "[ .]" 2
495 1 52 ILE HA 1 52 ILE MD 4.000 2.700 6.000 3.458 3.406 3.490 . 0 0 "[ .]" 2
496 1 52 ILE HA 1 52 ILE MG 3.400 2.800 4.800 2.595 2.533 2.634 0.267 3 0 "[ .]" 2
497 1 52 ILE HA 1 52 ILE HG12 3.300 2.100 4.500 1.994 1.960 2.042 0.140 4 0 "[ .]" 2
498 1 52 ILE HB 1 52 ILE MD 4.200 2.900 6.400 2.766 2.734 2.799 0.166 3 0 "[ .]" 2
499 1 52 ILE H 1 53 ASN H 3.100 2.300 4.200 2.636 2.572 2.679 . 0 0 "[ .]" 2
500 1 52 ILE HB 1 53 ASN H 2.800 2.200 3.500 2.522 2.505 2.549 . 0 0 "[ .]" 2
501 1 52 ILE HG12 1 53 ASN H 3.600 2.300 5.400 4.702 4.693 4.713 . 0 0 "[ .]" 2
502 1 52 ILE MG 1 53 ASN H 4.000 2.700 6.000 2.930 2.886 3.062 . 0 0 "[ .]" 2
503 1 52 ILE HA 1 55 VAL QG 4.500 3.100 7.000 2.623 2.567 2.695 0.533 1 2 "[+ -.]" 2
504 1 52 ILE MG 1 56 ASP HB2 3.500 2.300 5.100 2.528 2.411 2.599 . 0 0 "[ .]" 2
505 1 52 ILE MD 1 62 THR MG 4.000 2.700 6.000 3.889 3.759 3.942 . 0 0 "[ .]" 2
506 1 52 ILE MG 1 62 THR H 3.900 2.700 6.100 3.114 2.963 3.197 . 0 0 "[ .]" 2
507 1 52 ILE H 1 63 ILE MD 4.300 3.000 6.600 5.179 5.054 5.281 . 0 0 "[ .]" 2
508 1 52 ILE H 1 63 ILE HG13 4.300 3.000 6.800 5.373 5.304 5.519 . 0 0 "[ .]" 2
509 1 52 ILE HA 1 63 ILE HG13 3.900 2.600 5.700 2.785 2.726 2.927 . 0 0 "[ .]" 2
510 1 52 ILE HA 1 63 ILE MG 4.600 3.100 7.200 4.532 4.454 4.666 . 0 0 "[ .]" 2
511 1 52 ILE HG13 1 63 ILE HG12 3.300 2.400 5.100 4.314 4.256 4.399 . 0 0 "[ .]" 2
512 1 52 ILE MG 1 63 ILE H 4.500 3.000 6.900 3.857 3.738 3.936 . 0 0 "[ .]" 2
513 1 53 ASN H 1 53 ASN HB3 3.700 2.600 5.500 2.767 2.710 2.903 . 0 0 "[ .]" 2
514 1 53 ASN H 1 53 ASN HB2 2.800 2.200 3.500 2.348 2.307 2.388 . 0 0 "[ .]" 2
515 1 53 ASN HA 1 53 ASN HB3 3.600 2.300 5.300 3.018 3.016 3.019 . 0 0 "[ .]" 2
516 1 53 ASN HA 1 53 ASN HB2 3.700 2.400 5.500 2.524 2.509 2.565 . 0 0 "[ .]" 2
517 1 53 ASN HB3 1 53 ASN HD21 4.000 2.500 6.100 2.617 2.351 3.565 0.149 4 0 "[ .]" 2
518 1 53 ASN HB3 1 53 ASN HD22 3.600 2.300 5.300 3.646 3.505 4.111 . 0 0 "[ .]" 2
519 1 53 ASN HB2 1 53 ASN HD21 4.000 2.700 6.000 2.597 2.577 2.616 0.123 5 0 "[ .]" 2
520 1 53 ASN HB2 1 53 ASN HD22 3.800 2.700 5.600 3.578 3.564 3.593 . 0 0 "[ .]" 2
521 1 53 ASN H 1 54 GLU H 2.900 2.300 3.600 2.765 2.723 2.853 . 0 0 "[ .]" 2
522 1 53 ASN HA 1 54 GLU H 3.900 2.700 6.400 3.427 3.417 3.438 . 0 0 "[ .]" 2
523 1 53 ASN HB3 1 54 GLU H 3.300 2.300 4.500 2.903 2.853 2.980 . 0 0 "[ .]" 2
524 1 53 ASN HB2 1 54 GLU H 4.000 2.900 6.000 3.911 3.833 3.975 . 0 0 "[ .]" 2
525 1 53 ASN HD22 1 54 GLU HA 3.900 2.700 6.400 6.147 6.073 6.234 . 0 0 "[ .]" 2
526 1 53 ASN HA 1 55 VAL H 4.500 3.100 7.000 3.914 3.863 4.078 . 0 0 "[ .]" 2
527 1 53 ASN HA 1 56 ASP H 3.400 2.200 4.900 3.138 2.972 3.452 . 0 0 "[ .]" 2
528 1 53 ASN HD22 1 56 ASP HB2 4.300 3.000 6.600 6.552 5.848 6.753 0.153 1 0 "[ .]" 2
529 1 53 ASN HA 1 60 ASN H 4.200 2.600 6.700 6.428 6.171 6.709 0.009 3 0 "[ .]" 2
530 1 53 ASN HA 1 63 ILE MD 4.200 2.900 6.700 4.453 4.287 4.825 . 0 0 "[ .]" 2
531 1 54 GLU H 1 54 GLU HA 2.900 2.300 3.600 2.898 2.888 2.919 . 0 0 "[ .]" 2
532 1 54 GLU H 1 54 GLU HB3 3.400 2.100 5.000 2.713 2.682 2.795 . 0 0 "[ .]" 2
533 1 54 GLU H 1 54 GLU HB2 3.300 2.400 4.800 3.738 3.727 3.747 . 0 0 "[ .]" 2
534 1 54 GLU H 1 54 GLU QG 3.000 2.300 4.000 2.338 2.302 2.369 . 0 0 "[ .]" 2
535 1 54 GLU HA 1 54 GLU QG 2.800 2.100 4.000 3.366 3.358 3.377 . 0 0 "[ .]" 2
536 1 54 GLU H 1 55 VAL H 2.900 2.200 4.400 2.475 2.396 2.512 . 0 0 "[ .]" 2
537 1 54 GLU H 1 55 VAL QG 4.300 3.000 6.600 3.583 3.557 3.612 . 0 0 "[ .]" 2
538 1 54 GLU HB2 1 55 VAL H 4.300 3.000 6.600 4.079 4.051 4.097 . 0 0 "[ .]" 2
539 1 54 GLU QG 1 55 VAL QG 3.700 2.500 5.600 1.660 1.550 1.810 0.950 1 5 [+*-**] 2
540 1 54 GLU QG 1 63 ILE MD 4.500 3.000 7.000 5.013 4.943 5.035 . 0 0 "[ .]" 2
541 1 55 VAL H 1 55 VAL QG 3.600 2.400 5.300 2.126 2.077 2.190 0.323 4 0 "[ .]" 2
542 1 55 VAL HA 1 55 VAL HB 3.600 2.500 5.300 2.446 2.418 2.465 0.082 1 0 "[ .]" 2
543 1 55 VAL HA 1 55 VAL QG 4.000 2.700 6.000 2.231 2.198 2.260 0.502 3 1 "[ + .]" 2
544 1 55 VAL H 1 56 ASP H 2.700 2.200 3.300 2.338 2.276 2.384 . 0 0 "[ .]" 2
545 1 55 VAL QG 1 56 ASP HA 4.300 3.000 6.600 3.753 3.722 3.807 . 0 0 "[ .]" 2
546 1 55 VAL H 1 63 ILE MD 3.600 2.300 5.100 3.653 3.573 3.712 . 0 0 "[ .]" 2
547 1 55 VAL QG 1 63 ILE MD 3.800 2.700 5.500 1.913 1.890 1.925 0.810 3 5 [*-+**] 2
548 1 55 VAL QG 1 67 GLU HB3 3.800 2.700 5.900 3.965 3.839 4.162 . 0 0 "[ .]" 2
549 1 55 VAL QG 1 68 PHE HA 4.200 2.800 6.400 4.080 3.952 4.342 . 0 0 "[ .]" 2
550 1 55 VAL HB 1 71 MET HB2 3.100 2.300 4.900 2.386 2.257 2.706 0.043 5 0 "[ .]" 2
551 1 55 VAL QG 1 71 MET ME 4.500 3.100 7.000 3.317 3.033 3.584 0.067 2 0 "[ .]" 2
552 1 55 VAL QG 1 71 MET QG 3.900 2.600 5.700 1.815 1.757 1.893 0.843 1 5 [+*-**] 2
553 1 55 VAL QG 1 72 MET H 4.700 3.100 7.200 5.078 4.990 5.236 . 0 0 "[ .]" 2
554 1 55 VAL QG 1 74 ARG HG3 3.800 2.500 5.400 3.736 3.358 4.511 . 0 0 "[ .]" 2
555 1 56 ASP H 1 56 ASP HA 3.300 2.200 4.700 2.921 2.919 2.924 . 0 0 "[ .]" 2
556 1 56 ASP HA 1 57 ALA H 2.500 2.200 2.900 2.069 2.056 2.088 0.144 2 0 "[ .]" 2
557 1 56 ASP HA 1 57 ALA MB 5.100 3.400 8.100 3.982 3.972 3.994 . 0 0 "[ .]" 2
558 1 56 ASP HB3 1 57 ALA H 3.800 2.700 5.600 4.116 4.080 4.140 . 0 0 "[ .]" 2
559 1 56 ASP HB2 1 57 ALA H 3.900 2.700 5.800 4.253 4.221 4.266 . 0 0 "[ .]" 2
560 1 56 ASP HA 1 59 GLY H 3.400 2.400 5.000 4.223 4.202 4.238 . 0 0 "[ .]" 2
561 1 57 ALA H 1 57 ALA HA 2.900 2.400 3.600 3.001 2.996 3.006 . 0 0 "[ .]" 2
562 1 57 ALA H 1 57 ALA MB 3.200 2.300 4.400 2.474 2.456 2.491 . 0 0 "[ .]" 2
563 1 57 ALA HA 1 57 ALA MB 3.500 2.200 5.100 2.136 2.133 2.138 0.067 4 0 "[ .]" 2
564 1 57 ALA H 1 58 ASP H 2.500 2.200 2.900 2.122 2.095 2.148 0.105 2 0 "[ .]" 2
565 1 57 ALA HA 1 58 ASP H 3.500 2.400 5.000 3.472 3.470 3.475 . 0 0 "[ .]" 2
566 1 57 ALA MB 1 58 ASP H 3.500 2.200 5.200 2.904 2.893 2.920 . 0 0 "[ .]" 2
567 1 57 ALA H 1 59 GLY H 3.500 2.200 5.200 3.611 3.596 3.626 . 0 0 "[ .]" 2
568 1 57 ALA MB 1 59 GLY H 4.200 2.900 6.500 4.604 4.575 4.620 . 0 0 "[ .]" 2
569 1 57 ALA H 1 63 ILE MD 4.300 3.000 6.700 3.753 3.712 3.805 . 0 0 "[ .]" 2
570 1 58 ASP H 1 58 ASP HB3 3.300 2.400 4.700 2.876 2.847 2.918 . 0 0 "[ .]" 2
571 1 58 ASP H 1 58 ASP HB2 3.700 2.600 5.500 3.628 3.611 3.649 . 0 0 "[ .]" 2
572 1 58 ASP H 1 59 GLY HA2 4.100 2.800 6.300 4.699 4.671 4.708 . 0 0 "[ .]" 2
573 1 58 ASP HA 1 60 ASN HB3 3.700 2.600 5.600 5.409 5.374 5.468 . 0 0 "[ .]" 2
574 1 58 ASP H 1 67 GLU HG3 3.500 2.200 5.400 5.349 5.278 5.403 0.003 2 0 "[ .]" 2
575 1 59 GLY H 1 59 GLY HA3 2.500 2.200 3.000 2.975 2.971 2.980 . 0 0 "[ .]" 2
576 1 59 GLY H 1 59 GLY HA2 3.000 2.300 4.000 2.401 2.395 2.413 . 0 0 "[ .]" 2
577 1 59 GLY HA3 1 60 ASN H 4.400 3.000 6.800 3.476 3.464 3.485 . 0 0 "[ .]" 2
578 1 60 ASN H 1 60 ASN HA 2.900 2.300 3.600 2.935 2.932 2.938 . 0 0 "[ .]" 2
579 1 60 ASN H 1 60 ASN HB3 2.900 2.300 3.600 2.792 2.783 2.796 . 0 0 "[ .]" 2
580 1 60 ASN H 1 60 ASN HB2 3.600 2.300 5.300 3.732 3.724 3.737 . 0 0 "[ .]" 2
581 1 60 ASN H 1 61 GLY H 2.700 2.300 3.200 2.356 2.345 2.375 . 0 0 "[ .]" 2
582 1 61 GLY H 1 61 GLY HA3 3.000 2.300 3.900 2.984 2.977 2.988 . 0 0 "[ .]" 2
583 1 61 GLY H 1 61 GLY HA2 3.000 2.300 3.900 2.446 2.427 2.455 . 0 0 "[ .]" 2
584 1 61 GLY H 1 62 THR H 2.600 . 3.800 2.153 2.137 2.178 . 0 0 "[ .]" 2
585 1 61 GLY HA3 1 62 THR H 3.000 2.300 4.000 3.587 3.574 3.609 . 0 0 "[ .]" 2
586 1 61 GLY HA2 1 62 THR H 3.500 2.300 5.000 2.957 2.918 2.985 . 0 0 "[ .]" 2
587 1 62 THR H 1 62 THR HB 4.000 2.700 6.000 3.793 3.777 3.821 . 0 0 "[ .]" 2
588 1 62 THR H 1 62 THR MG 3.800 2.700 5.600 3.604 3.584 3.648 . 0 0 "[ .]" 2
589 1 62 THR HA 1 62 THR HB 4.100 2.700 6.700 2.633 2.608 2.655 0.092 3 0 "[ .]" 2
590 1 62 THR HB 1 62 THR MG 3.800 2.400 5.600 2.149 2.144 2.153 0.256 3 0 "[ .]" 2
591 1 62 THR H 1 63 ILE H 3.700 2.600 5.600 4.231 4.191 4.264 . 0 0 "[ .]" 2
592 1 62 THR HB 1 63 ILE H 3.200 2.200 4.400 2.513 2.479 2.544 . 0 0 "[ .]" 2
593 1 62 THR MG 1 63 ILE H 4.100 2.800 6.300 3.358 3.298 3.385 . 0 0 "[ .]" 2
594 1 63 ILE H 1 63 ILE HA 3.500 2.200 5.000 3.012 3.010 3.017 . 0 0 "[ .]" 2
595 1 63 ILE H 1 63 ILE MD 4.200 2.900 6.400 4.087 3.934 4.141 . 0 0 "[ .]" 2
596 1 63 ILE H 1 63 ILE MG 3.800 2.700 5.600 3.966 3.953 3.979 . 0 0 "[ .]" 2
597 1 63 ILE HA 1 63 ILE MD 4.400 3.100 6.800 2.185 2.116 2.229 0.984 1 5 [+**-*] 2
598 1 63 ILE MG 1 64 ASP H 3.800 2.600 5.300 2.588 2.510 2.664 0.090 2 0 "[ .]" 2
599 1 63 ILE MD 1 67 GLU HA 4.400 3.000 6.900 4.827 4.703 4.988 . 0 0 "[ .]" 2
600 1 63 ILE MD 1 67 GLU HB3 3.900 2.700 6.000 2.785 2.662 2.922 0.038 2 0 "[ .]" 2
601 1 63 ILE MD 1 67 GLU HG3 4.300 3.000 6.700 4.677 4.521 4.856 . 0 0 "[ .]" 2
602 1 63 ILE MD 1 67 GLU HG2 4.300 3.000 6.700 4.370 4.266 4.503 . 0 0 "[ .]" 2
603 1 63 ILE MG 1 68 PHE H 3.700 2.600 5.500 2.799 2.711 3.051 . 0 0 "[ .]" 2
604 1 63 ILE MG 1 68 PHE HA 3.800 2.500 5.400 2.987 2.778 3.177 . 0 0 "[ .]" 2
605 1 63 ILE MG 1 68 PHE HD1 4.000 2.700 6.000 3.424 3.298 3.574 . 0 0 "[ .]" 2
606 1 64 ASP HA 1 64 ASP HB3 3.900 2.500 5.900 2.498 2.442 2.519 0.058 3 0 "[ .]" 2
607 1 64 ASP HA 1 65 PHE H 3.400 2.300 4.700 2.559 2.457 2.603 . 0 0 "[ .]" 2
608 1 65 PHE HA 1 65 PHE HE1 3.600 2.400 5.300 4.903 4.889 4.916 . 0 0 "[ .]" 2
609 1 65 PHE H 1 66 PRO HD3 3.700 2.300 5.500 3.163 3.099 3.367 . 0 0 "[ .]" 2
610 1 65 PHE HE1 1 68 PHE HE2 3.000 2.300 4.200 4.252 4.202 4.293 0.093 2 0 "[ .]" 2
611 1 65 PHE HD1 1 69 LEU H 4.100 2.800 6.400 4.393 4.274 4.464 . 0 0 "[ .]" 2
612 1 66 PRO HA 1 66 PRO HG2 3.700 2.600 5.500 3.968 3.956 3.988 . 0 0 "[ .]" 2
613 1 66 PRO HB3 1 67 GLU H 3.200 2.300 4.700 3.961 3.886 4.063 . 0 0 "[ .]" 2
614 1 66 PRO HA 1 69 LEU MD2 4.400 3.000 6.800 4.125 3.843 4.247 . 0 0 "[ .]" 2
615 1 67 GLU H 1 67 GLU HG2 3.100 2.300 4.500 3.611 3.557 3.689 . 0 0 "[ .]" 2
616 1 67 GLU HG3 1 70 THR MG 4.400 3.000 6.700 5.130 4.927 5.298 . 0 0 "[ .]" 2
617 1 68 PHE H 1 68 PHE HB2 3.300 2.300 4.700 2.634 2.629 2.648 . 0 0 "[ .]" 2
618 1 68 PHE HA 1 68 PHE HB2 3.300 2.300 4.700 2.413 2.411 2.414 . 0 0 "[ .]" 2
619 1 68 PHE HA 1 68 PHE HD1 3.300 2.300 4.700 2.587 2.477 2.695 . 0 0 "[ .]" 2
620 1 68 PHE HB2 1 68 PHE HD2 3.000 2.300 4.000 3.568 3.514 3.619 . 0 0 "[ .]" 2
621 1 68 PHE H 1 69 LEU H 2.900 2.300 3.600 2.806 2.657 2.896 . 0 0 "[ .]" 2
622 1 68 PHE HA 1 69 LEU HA 3.500 2.200 5.200 4.707 4.666 4.747 . 0 0 "[ .]" 2
623 1 68 PHE HA 1 71 MET ME 4.100 2.700 6.100 4.585 3.990 5.325 . 0 0 "[ .]" 2
624 1 68 PHE HD1 1 71 MET ME 4.300 2.900 6.300 3.776 3.302 5.008 . 0 0 "[ .]" 2
625 1 68 PHE HE1 1 71 MET ME 3.500 2.300 5.100 3.283 2.811 4.387 . 0 0 "[ .]" 2
626 1 68 PHE HE1 1 72 MET ME 3.600 2.300 5.500 3.001 2.622 3.274 . 0 0 "[ .]" 2
627 1 69 LEU H 1 69 LEU HA 2.900 2.400 3.700 2.910 2.887 2.937 . 0 0 "[ .]" 2
628 1 69 LEU H 1 69 LEU HB3 4.000 2.700 6.000 2.601 2.574 2.673 0.126 3 0 "[ .]" 2
629 1 69 LEU H 1 69 LEU HB2 3.700 2.300 5.700 2.686 2.629 2.747 . 0 0 "[ .]" 2
630 1 69 LEU H 1 69 LEU MD1 4.500 3.000 6.500 4.370 4.301 4.399 . 0 0 "[ .]" 2
631 1 69 LEU H 1 69 LEU MD2 4.500 3.100 6.500 4.301 4.266 4.373 . 0 0 "[ .]" 2
632 1 69 LEU HA 1 69 LEU HB2 3.800 2.500 5.600 2.447 2.440 2.460 0.060 2 0 "[ .]" 2
633 1 69 LEU HA 1 69 LEU MD1 4.100 2.700 6.100 3.059 2.733 3.444 . 0 0 "[ .]" 2
634 1 69 LEU HA 1 69 LEU MD2 4.400 3.000 6.400 3.644 3.451 3.782 . 0 0 "[ .]" 2
635 1 69 LEU HB3 1 69 LEU MD1 4.300 3.000 6.500 2.933 2.741 3.087 0.259 2 0 "[ .]" 2
636 1 69 LEU HB3 1 69 LEU MD2 3.600 2.300 5.200 2.225 2.181 2.275 0.119 4 0 "[ .]" 2
637 1 69 LEU HB2 1 69 LEU MD2 3.500 2.200 5.000 3.049 2.923 3.187 . 0 0 "[ .]" 2
638 1 69 LEU MD2 1 69 LEU HG 3.100 . 4.300 2.122 2.117 2.129 . 0 0 "[ .]" 2
639 1 69 LEU H 1 70 THR H 3.100 2.100 4.300 2.595 2.579 2.611 . 0 0 "[ .]" 2
640 1 69 LEU HB3 1 70 THR H 3.300 2.300 4.600 2.631 2.539 2.709 . 0 0 "[ .]" 2
641 1 69 LEU HG 1 72 MET HA 3.900 2.700 5.900 6.049 5.969 6.114 0.214 2 0 "[ .]" 2
642 1 70 THR H 1 70 THR HA 3.000 2.400 3.700 2.833 2.827 2.841 . 0 0 "[ .]" 2
643 1 70 THR H 1 70 THR HB 3.600 2.300 5.300 3.626 3.607 3.675 . 0 0 "[ .]" 2
644 1 70 THR HA 1 70 THR MG 3.500 2.200 5.000 2.362 2.316 2.425 . 0 0 "[ .]" 2
645 1 70 THR H 1 72 MET H 3.200 2.300 4.700 4.037 4.016 4.046 . 0 0 "[ .]" 2
646 1 70 THR HA 1 73 ALA MB 4.600 3.100 6.600 2.807 2.599 2.901 0.501 3 1 "[ + .]" 2
647 1 71 MET ME 1 71 MET QG 3.700 2.600 5.500 2.090 1.998 2.200 0.602 2 2 "[ + -]" 2
648 1 71 MET ME 1 75 LYS HG3 3.900 2.600 6.000 4.455 3.219 5.113 . 0 0 "[ .]" 2
649 1 72 MET H 1 72 MET HA 3.100 2.300 4.100 2.846 2.828 2.855 . 0 0 "[ .]" 2
650 1 72 MET HA 1 72 MET ME 3.800 2.300 5.600 2.154 1.874 2.457 0.426 5 0 "[ .]" 2
651 1 72 MET H 1 73 ALA H 2.900 2.300 3.600 2.713 2.689 2.737 . 0 0 "[ .]" 2
652 1 72 MET HA 1 73 ALA H 4.300 3.000 6.600 3.483 3.456 3.502 . 0 0 "[ .]" 2
653 1 72 MET ME 1 73 ALA H 4.900 3.300 7.800 5.119 4.876 5.397 . 0 0 "[ .]" 2
654 1 72 MET HA 1 75 LYS HG3 3.800 2.500 5.700 4.642 4.289 5.355 . 0 0 "[ .]" 2
655 1 72 MET ME 1 75 LYS H 4.100 2.800 6.300 4.215 3.839 4.671 . 0 0 "[ .]" 2
656 1 72 MET ME 1 75 LYS HA 4.500 3.200 6.800 4.841 4.482 5.625 . 0 0 "[ .]" 2
657 1 73 ALA H 1 73 ALA HA 2.900 2.400 3.500 2.874 2.851 2.888 . 0 0 "[ .]" 2
658 1 73 ALA H 1 73 ALA MB 3.600 2.500 5.100 2.287 2.279 2.304 0.221 2 0 "[ .]" 2
659 1 73 ALA H 1 74 ARG H 3.100 2.300 4.200 2.569 2.471 2.654 . 0 0 "[ .]" 2
660 1 73 ALA MB 1 74 ARG H 4.300 2.900 6.800 2.602 2.566 2.715 0.334 1 0 "[ .]" 2
661 1 73 ALA MB 1 74 ARG HG2 4.400 3.000 6.800 3.303 3.201 3.442 . 0 0 "[ .]" 2
662 1 73 ALA H 1 75 LYS HB2 3.900 2.700 5.900 5.564 5.160 5.901 0.001 3 0 "[ .]" 2
663 1 73 ALA HA 1 75 LYS H 3.700 2.600 5.600 4.039 3.528 4.440 . 0 0 "[ .]" 2
664 1 73 ALA MB 1 75 LYS H 4.300 2.900 6.400 4.385 4.231 4.555 . 0 0 "[ .]" 2
665 1 73 ALA HA 1 76 MET ME 4.200 2.800 6.400 5.166 4.495 5.357 . 0 0 "[ .]" 2
666 1 74 ARG H 1 74 ARG HA 2.900 2.400 3.500 2.897 2.879 2.917 . 0 0 "[ .]" 2
667 1 74 ARG H 1 74 ARG HD3 4.200 2.900 6.400 4.300 3.632 4.811 . 0 0 "[ .]" 2
668 1 74 ARG H 1 74 ARG HG2 3.500 2.200 5.000 2.407 2.382 2.416 . 0 0 "[ .]" 2
669 1 75 LYS H 1 75 LYS HG3 3.600 2.300 5.300 4.520 4.376 4.587 . 0 0 "[ .]" 2
670 1 75 LYS HA 1 75 LYS HB3 3.400 2.100 5.000 3.022 3.014 3.025 . 0 0 "[ .]" 2
671 1 75 LYS HA 1 75 LYS HD2 3.600 2.300 5.300 4.765 4.506 4.963 . 0 0 "[ .]" 2
672 1 75 LYS HA 1 75 LYS HG3 3.700 2.600 5.500 3.066 2.754 3.396 . 0 0 "[ .]" 2
673 1 75 LYS HD3 1 75 LYS HG3 2.500 2.200 2.900 2.848 2.682 3.018 0.118 4 0 "[ .]" 2
674 1 75 LYS HE2 1 75 LYS HG3 3.100 2.300 4.200 3.008 2.061 3.769 0.239 3 0 "[ .]" 2
675 1 75 LYS H 1 76 MET ME 3.700 2.400 5.500 4.409 4.309 4.523 . 0 0 "[ .]" 2
676 1 75 LYS H 1 76 MET HG2 4.200 2.800 6.400 5.374 5.130 5.525 . 0 0 "[ .]" 2
677 1 75 LYS H 1 76 MET HG3 4.000 2.900 6.000 4.512 3.804 6.639 0.639 3 1 "[ + .]" 2
678 1 75 LYS HB3 1 76 MET ME 4.700 3.200 7.400 5.289 2.797 5.956 0.403 3 0 "[ .]" 2
679 1 75 LYS HG3 1 76 MET HA 3.900 2.700 6.000 5.794 5.559 5.994 . 0 0 "[ .]" 2
680 1 76 MET H 1 76 MET HB3 3.200 2.300 4.600 3.581 3.284 3.684 . 0 0 "[ .]" 2
681 1 76 MET H 1 76 MET HG2 3.800 2.600 5.600 4.321 4.199 4.402 . 0 0 "[ .]" 2
682 1 76 MET H 1 76 MET ME 3.900 2.700 5.800 3.780 3.037 4.815 . 0 0 "[ .]" 2
683 1 76 MET HA 1 76 MET HB3 3.300 2.300 4.700 2.336 2.234 2.378 0.066 3 0 "[ .]" 2
684 1 76 MET HA 1 76 MET HB2 3.300 2.300 4.700 2.513 2.490 2.524 . 0 0 "[ .]" 2
685 1 76 MET HA 1 76 MET ME 4.100 2.800 6.100 5.012 4.743 5.163 . 0 0 "[ .]" 2
686 1 76 MET HA 1 76 MET HG2 4.000 2.800 6.000 4.176 3.839 4.264 . 0 0 "[ .]" 2
687 1 76 MET HA 1 76 MET HG3 3.600 2.400 5.300 3.808 3.685 4.247 . 0 0 "[ .]" 2
688 1 76 MET ME 1 76 MET HG2 4.100 2.800 6.200 2.603 2.450 2.805 0.350 3 0 "[ .]" 2
689 1 76 MET ME 1 76 MET HG3 3.500 2.300 5.000 2.299 2.189 2.416 0.111 1 0 "[ .]" 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 29
_Distance_constraint_stats_list.Viol_count 57
_Distance_constraint_stats_list.Viol_total 55.569
_Distance_constraint_stats_list.Viol_max 1.206
_Distance_constraint_stats_list.Viol_rms 0.1918
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0766
_Distance_constraint_stats_list.Viol_average_violations_only 0.1950
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 20 ASP 3.460 0.643 3 2 "[- + .]"
1 22 ASP 5.918 1.206 4 3 "[* *+.]"
1 24 ASP 3.899 0.643 3 2 "[- + .]"
1 26 THR 1.242 0.406 5 0 "[ .]"
1 31 GLU 6.172 1.206 4 3 "[* *+.]"
1 56 ASP 0.251 0.042 2 0 "[ .]"
1 58 ASP 0.420 0.114 1 0 "[ .]"
1 60 ASN 0.237 0.042 2 0 "[ .]"
1 62 THR 0.079 0.035 1 0 "[ .]"
1 67 GLU 0.549 0.114 1 0 "[ .]"
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 24 ASP OD1 1 26 THR O 3.170 2.870 3.470 2.753 2.592 2.939 0.278 4 0 "[ .]" 3
2 1 26 THR O 1 31 GLU OE1 2.920 2.620 3.220 3.138 2.978 3.305 0.085 1 0 "[ .]" 3
3 1 22 ASP OD1 1 24 ASP OD1 2.970 2.670 3.270 3.042 2.766 3.296 0.026 2 0 "[ .]" 3
4 1 20 ASP OD1 1 24 ASP OD1 3.420 3.120 3.720 2.737 2.477 3.035 0.643 3 2 "[- + .]" 3
5 1 24 ASP OD1 1 31 GLU OE1 4.660 4.360 4.960 4.890 4.788 5.033 0.073 3 0 "[ .]" 3
6 1 24 ASP OD1 1 31 GLU OE2 4.550 4.250 4.850 5.091 4.952 5.203 0.353 4 0 "[ .]" 3
7 1 22 ASP OD1 1 26 THR O 4.550 4.250 4.850 4.701 4.554 4.911 0.061 5 0 "[ .]" 3
8 1 22 ASP OD1 1 31 GLU OE1 4.320 4.020 4.620 4.914 4.551 5.391 0.771 4 1 "[ +.]" 3
9 1 22 ASP OD1 1 31 GLU OE2 2.880 2.580 3.180 3.806 3.227 4.386 1.206 4 3 "[* -+.]" 3
10 1 20 ASP OD1 1 22 ASP OD1 3.040 2.740 3.340 2.526 2.429 2.636 0.311 3 0 "[ .]" 3
11 1 20 ASP OD1 1 31 GLU OE2 3.520 3.220 3.820 3.657 3.505 3.836 0.016 1 0 "[ .]" 3
12 1 20 ASP OD1 1 31 GLU OE1 3.910 3.610 4.210 3.837 3.580 4.024 0.030 1 0 "[ .]" 3
13 1 20 ASP OD1 1 26 THR O 3.230 2.930 3.530 3.402 2.931 3.936 0.406 5 0 "[ .]" 3
14 1 26 THR O 1 31 GLU OE2 4.270 3.970 4.570 4.453 4.318 4.573 0.003 1 0 "[ .]" 3
15 1 26 THR C 1 31 GLU OE1 3.890 3.590 4.190 3.992 3.870 4.155 . 0 0 "[ .]" 3
16 1 62 THR C 1 67 GLU OE1 3.920 3.620 4.220 3.980 3.941 4.010 . 0 0 "[ .]" 3
17 1 56 ASP OD1 1 67 GLU OE2 3.150 2.850 3.450 3.150 3.011 3.228 . 0 0 "[ .]" 3
18 1 58 ASP OD1 1 67 GLU OE2 2.670 2.370 2.970 3.047 2.933 3.084 0.114 1 0 "[ .]" 3
19 1 60 ASN OD1 1 67 GLU OE2 4.530 4.230 4.830 4.819 4.712 4.865 0.035 2 0 "[ .]" 3
20 1 62 THR O 1 67 GLU OE2 4.360 4.060 4.660 4.307 4.242 4.350 . 0 0 "[ .]" 3
21 1 56 ASP OD1 1 67 GLU OE1 3.620 3.320 3.920 3.401 3.300 3.598 0.020 3 0 "[ .]" 3
22 1 58 ASP OD1 1 67 GLU OE1 4.360 4.060 4.660 4.345 4.309 4.429 . 0 0 "[ .]" 3
23 1 62 THR O 1 67 GLU OE1 2.890 2.590 3.190 3.101 3.074 3.128 . 0 0 "[ .]" 3
24 1 60 ASN OD1 1 62 THR O 3.000 2.700 3.300 3.065 3.006 3.208 . 0 0 "[ .]" 3
25 1 58 ASP OD1 1 62 THR O 4.270 3.970 4.570 4.307 4.280 4.377 . 0 0 "[ .]" 3
26 1 56 ASP OD1 1 62 THR O 3.180 2.880 3.480 2.892 2.845 3.018 0.035 1 0 "[ .]" 3
27 1 58 ASP OD1 1 60 ASN OD1 2.750 2.450 3.050 2.771 2.664 2.863 . 0 0 "[ .]" 3
28 1 56 ASP OD1 1 60 ASN OD1 3.340 3.040 3.640 3.035 2.998 3.154 0.042 2 0 "[ .]" 3
29 1 56 ASP OD1 1 58 ASP OD1 2.620 2.320 2.920 2.428 2.410 2.439 . 0 0 "[ .]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 75
_Distance_constraint_stats_list.Viol_count 67
_Distance_constraint_stats_list.Viol_total 40.981
_Distance_constraint_stats_list.Viol_max 0.539
_Distance_constraint_stats_list.Viol_rms 0.0683
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0219
_Distance_constraint_stats_list.Viol_average_violations_only 0.1223
_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 THR 0.000 0.000 . 0 "[ .]"
1 6 GLU 0.007 0.007 1 0 "[ .]"
1 7 GLU 0.000 0.000 . 0 "[ .]"
1 8 GLN 0.027 0.027 3 0 "[ .]"
1 9 ILE 0.000 0.000 3 0 "[ .]"
1 10 ALA 0.007 0.007 1 0 "[ .]"
1 11 GLU 0.004 0.004 4 0 "[ .]"
1 12 PHE 0.027 0.027 3 0 "[ .]"
1 13 LYS 0.074 0.074 4 0 "[ .]"
1 14 GLU 0.000 0.000 . 0 "[ .]"
1 15 ALA 0.108 0.090 4 0 "[ .]"
1 16 PHE 0.048 0.048 4 0 "[ .]"
1 17 SER 0.074 0.074 4 0 "[ .]"
1 18 LEU 0.000 0.000 . 0 "[ .]"
1 19 PHE 0.103 0.090 4 0 "[ .]"
1 20 ASP 1.390 0.403 4 0 "[ .]"
1 23 GLY 1.342 0.403 4 0 "[ .]"
1 27 ILE 1.783 0.154 2 0 "[ .]"
1 28 THR 0.009 0.009 1 0 "[ .]"
1 29 THR 0.000 0.000 . 0 "[ .]"
1 30 LYS 0.116 0.116 1 0 "[ .]"
1 31 GLU 0.000 0.000 . 0 "[ .]"
1 32 LEU 0.009 0.009 1 0 "[ .]"
1 33 GLY 0.000 0.000 . 0 "[ .]"
1 34 THR 0.467 0.149 1 0 "[ .]"
1 35 VAL 0.000 0.000 . 0 "[ .]"
1 36 MET 0.000 0.000 . 0 "[ .]"
1 37 ARG 0.000 0.000 . 0 "[ .]"
1 38 SER 0.351 0.149 1 0 "[ .]"
1 39 LEU 0.000 0.000 . 0 "[ .]"
1 44 THR 0.401 0.140 2 0 "[ .]"
1 45 GLU 0.250 0.125 4 0 "[ .]"
1 46 ALA 0.000 0.000 . 0 "[ .]"
1 47 GLU 0.000 0.000 . 0 "[ .]"
1 48 LEU 0.731 0.172 1 0 "[ .]"
1 49 GLN 0.250 0.125 4 0 "[ .]"
1 50 ASP 0.000 0.000 . 0 "[ .]"
1 51 MET 2.800 0.539 2 2 "[ + -]"
1 52 ILE 0.875 0.172 1 0 "[ .]"
1 53 ASN 0.000 0.000 . 0 "[ .]"
1 54 GLU 0.000 0.000 . 0 "[ .]"
1 55 VAL 2.800 0.539 2 2 "[ + -]"
1 56 ASP 0.546 0.148 2 0 "[ .]"
1 63 ILE 1.783 0.154 2 0 "[ .]"
1 64 ASP 0.004 0.004 4 0 "[ .]"
1 65 PHE 0.000 0.000 . 0 "[ .]"
1 66 PRO 0.000 0.000 . 0 "[ .]"
1 68 PHE 0.004 0.004 4 0 "[ .]"
1 69 LEU 0.000 0.000 . 0 "[ .]"
1 70 THR 0.000 0.000 . 0 "[ .]"
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 THR O 1 9 ILE N 3.100 2.700 3.500 3.152 3.134 3.197 . 0 0 "[ .]" 4
2 1 5 THR O 1 9 ILE H 2.000 . 2.300 2.158 2.134 2.198 . 0 0 "[ .]" 4
3 1 6 GLU O 1 10 ALA N 3.100 2.700 3.500 2.756 2.693 2.794 0.007 1 0 "[ .]" 4
4 1 6 GLU O 1 10 ALA H 2.000 . 2.300 1.823 1.777 1.859 . 0 0 "[ .]" 4
5 1 7 GLU O 1 11 GLU N 3.100 2.700 3.500 2.853 2.831 2.864 . 0 0 "[ .]" 4
6 1 7 GLU O 1 11 GLU H 2.000 . 2.300 1.863 1.837 1.873 . 0 0 "[ .]" 4
7 1 8 GLN O 1 12 PHE N 3.100 2.700 3.500 2.751 2.673 2.824 0.027 3 0 "[ .]" 4
8 1 8 GLN O 1 12 PHE H 2.000 . 2.300 1.902 1.882 1.934 . 0 0 "[ .]" 4
9 1 9 ILE O 1 13 LYS N 3.100 2.700 3.500 3.030 2.883 3.144 . 0 0 "[ .]" 4
10 1 9 ILE O 1 13 LYS H 2.000 . 2.300 2.196 2.092 2.300 0.000 3 0 "[ .]" 4
11 1 10 ALA O 1 14 GLU N 3.100 2.700 3.500 2.944 2.845 3.181 . 0 0 "[ .]" 4
12 1 10 ALA O 1 14 GLU H 2.000 . 2.300 2.036 1.920 2.277 . 0 0 "[ .]" 4
13 1 11 GLU O 1 15 ALA N 3.100 2.700 3.500 2.745 2.696 2.783 0.004 4 0 "[ .]" 4
14 1 11 GLU O 1 15 ALA H 2.000 . 2.300 1.818 1.783 1.846 . 0 0 "[ .]" 4
15 1 12 PHE O 1 16 PHE N 3.100 2.700 3.500 2.911 2.802 2.962 . 0 0 "[ .]" 4
16 1 12 PHE O 1 16 PHE H 2.000 . 2.300 2.021 1.902 2.078 . 0 0 "[ .]" 4
17 1 13 LYS O 1 17 SER N 3.100 2.700 3.500 3.166 3.032 3.354 . 0 0 "[ .]" 4
18 1 13 LYS O 1 17 SER H 2.000 . 2.300 2.235 2.093 2.374 0.074 4 0 "[ .]" 4
19 1 14 GLU O 1 18 LEU N 3.100 2.700 3.500 3.112 3.010 3.192 . 0 0 "[ .]" 4
20 1 14 GLU O 1 18 LEU H 2.000 . 2.300 2.219 2.053 2.299 . 0 0 "[ .]" 4
21 1 15 ALA O 1 19 PHE N 3.100 2.700 3.500 3.059 2.906 3.277 . 0 0 "[ .]" 4
22 1 15 ALA O 1 19 PHE H 2.000 . 2.500 2.350 2.184 2.590 0.090 4 0 "[ .]" 4
23 1 16 PHE O 1 20 ASP N 3.100 2.700 3.500 3.011 2.910 3.287 . 0 0 "[ .]" 4
24 1 16 PHE O 1 20 ASP H 2.000 . 2.300 2.048 1.927 2.348 0.048 4 0 "[ .]" 4
25 1 20 ASP O 1 23 GLY N 3.000 2.700 3.500 3.083 2.998 3.199 . 0 0 "[ .]" 4
26 1 20 ASP O 1 23 GLY H 2.000 . 2.300 2.568 2.431 2.703 0.403 4 0 "[ .]" 4
27 1 27 ILE O 1 63 ILE N 2.800 2.600 3.000 3.070 3.032 3.104 0.104 3 0 "[ .]" 4
28 1 27 ILE O 1 63 ILE H 1.800 . 2.000 2.121 2.089 2.154 0.154 2 0 "[ .]" 4
29 1 27 ILE C 1 63 ILE H 2.800 2.600 3.000 3.042 2.977 3.075 0.075 2 0 "[ .]" 4
30 1 27 ILE N 1 63 ILE O 2.800 2.600 3.000 2.821 2.784 2.865 . 0 0 "[ .]" 4
31 1 27 ILE H 1 63 ILE O 1.800 . 2.000 1.962 1.917 2.027 0.027 3 0 "[ .]" 4
32 1 27 ILE H 1 63 ILE C 2.800 2.600 3.000 3.060 3.021 3.085 0.085 2 0 "[ .]" 4
33 1 27 ILE O 1 63 ILE O 3.800 3.600 4.000 4.044 3.968 4.154 0.154 3 0 "[ .]" 4
34 1 27 ILE N 1 63 ILE N 4.000 3.800 4.200 4.096 4.043 4.137 . 0 0 "[ .]" 4
35 1 27 ILE C 1 63 ILE C 5.000 4.800 5.200 5.020 4.985 5.041 . 0 0 "[ .]" 4
36 1 28 THR O 1 32 LEU N 3.100 2.700 3.500 2.803 2.691 2.903 0.009 1 0 "[ .]" 4
37 1 28 THR O 1 32 LEU H 2.000 . 2.300 1.866 1.811 1.949 . 0 0 "[ .]" 4
38 1 29 THR O 1 33 GLY N 3.100 2.700 3.500 2.965 2.906 3.033 . 0 0 "[ .]" 4
39 1 29 THR O 1 33 GLY H 2.000 . 2.300 2.000 1.949 2.106 . 0 0 "[ .]" 4
40 1 30 LYS O 1 34 THR N 3.100 2.700 3.500 3.088 2.895 3.320 . 0 0 "[ .]" 4
41 1 30 LYS O 1 34 THR H 2.000 . 2.300 2.230 2.091 2.416 0.116 1 0 "[ .]" 4
42 1 31 GLU O 1 35 VAL N 3.100 2.700 3.500 2.882 2.776 3.153 . 0 0 "[ .]" 4
43 1 31 GLU O 1 35 VAL H 2.000 . 2.300 1.932 1.828 2.221 . 0 0 "[ .]" 4
44 1 32 LEU O 1 36 MET N 3.100 2.700 3.500 2.792 2.745 2.860 . 0 0 "[ .]" 4
45 1 32 LEU O 1 36 MET H 2.000 . 2.300 1.883 1.834 1.950 . 0 0 "[ .]" 4
46 1 33 GLY O 1 37 ARG N 3.100 2.700 3.500 2.815 2.760 2.862 . 0 0 "[ .]" 4
47 1 33 GLY O 1 37 ARG H 2.000 . 2.300 1.949 1.891 2.008 . 0 0 "[ .]" 4
48 1 34 THR O 1 38 SER N 3.100 2.700 3.500 2.660 2.551 2.782 0.149 1 0 "[ .]" 4
49 1 34 THR O 1 38 SER H 2.000 . 2.300 1.937 1.913 1.966 . 0 0 "[ .]" 4
50 1 35 VAL O 1 39 LEU N 3.100 2.700 3.500 3.075 2.887 3.201 . 0 0 "[ .]" 4
51 1 35 VAL O 1 39 LEU H 2.000 . 2.300 2.121 1.926 2.293 . 0 0 "[ .]" 4
52 1 44 THR O 1 48 LEU N 3.100 2.700 3.500 3.142 3.089 3.181 . 0 0 "[ .]" 4
53 1 44 THR O 1 48 LEU H 2.000 . 2.300 2.374 2.270 2.440 0.140 2 0 "[ .]" 4
54 1 45 GLU O 1 49 GLN N 3.100 2.700 3.500 3.307 3.279 3.366 . 0 0 "[ .]" 4
55 1 45 GLU O 1 49 GLN H 2.000 . 2.300 2.350 2.313 2.425 0.125 4 0 "[ .]" 4
56 1 46 ALA O 1 50 ASP N 3.100 2.700 3.500 2.754 2.723 2.785 . 0 0 "[ .]" 4
57 1 46 ALA O 1 50 ASP H 2.000 . 2.300 1.776 1.758 1.798 . 0 0 "[ .]" 4
58 1 47 GLU O 1 51 MET N 3.100 2.700 3.500 2.821 2.788 2.857 . 0 0 "[ .]" 4
59 1 47 GLU O 1 51 MET H 2.000 . 2.300 1.949 1.902 1.992 . 0 0 "[ .]" 4
60 1 48 LEU O 1 52 ILE N 3.100 2.700 3.500 3.262 3.172 3.392 . 0 0 "[ .]" 4
61 1 48 LEU O 1 52 ILE H 2.000 . 2.300 2.328 2.233 2.472 0.172 1 0 "[ .]" 4
62 1 49 GLN O 1 53 ASN N 3.100 2.700 3.500 2.910 2.812 3.100 . 0 0 "[ .]" 4
63 1 49 GLN O 1 53 ASN H 2.000 . 2.300 1.953 1.889 2.144 . 0 0 "[ .]" 4
64 1 50 ASP O 1 54 GLU N 3.100 2.700 3.500 2.714 2.701 2.731 . 0 0 "[ .]" 4
65 1 50 ASP O 1 54 GLU H 2.000 . 2.300 1.870 1.840 1.902 . 0 0 "[ .]" 4
66 1 51 MET O 1 55 VAL N 3.100 2.700 3.500 3.661 3.528 3.794 0.294 2 0 "[ .]" 4
67 1 51 MET O 1 55 VAL H 2.000 . 2.500 2.899 2.769 3.039 0.539 2 2 "[ + -]" 4
68 1 52 ILE O 1 56 ASP N 3.100 2.700 3.500 2.770 2.748 2.780 . 0 0 "[ .]" 4
69 1 52 ILE O 1 56 ASP H 2.000 . 2.300 2.407 2.292 2.448 0.148 2 0 "[ .]" 4
70 1 64 ASP O 1 68 PHE N 3.100 2.700 3.500 2.768 2.696 2.842 0.004 4 0 "[ .]" 4
71 1 64 ASP O 1 68 PHE H 2.000 . 2.300 1.822 1.762 1.896 . 0 0 "[ .]" 4
72 1 65 PHE O 1 69 LEU N 3.100 2.700 3.500 2.777 2.771 2.784 . 0 0 "[ .]" 4
73 1 65 PHE O 1 69 LEU H 2.000 . 2.300 1.926 1.906 1.947 . 0 0 "[ .]" 4
74 1 66 PRO O 1 70 THR N 3.100 2.700 3.500 3.020 2.890 3.156 . 0 0 "[ .]" 4
75 1 66 PRO O 1 70 THR H 2.000 . 2.300 2.045 1.899 2.199 . 0 0 "[ .]" 4
stop_
save_
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