Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
540322 | 2lop RC | 18220 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lop
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 335
_Distance_constraint_stats_list.Viol_count 207
_Distance_constraint_stats_list.Viol_total 682.757
_Distance_constraint_stats_list.Viol_max 1.007
_Distance_constraint_stats_list.Viol_rms 0.0599
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0051
_Distance_constraint_stats_list.Viol_average_violations_only 0.1649
_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 16 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ALA 0.008 0.004 7 0 "[ . 1 . 2]"
1 20 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ILE 0.026 0.007 14 0 "[ . 1 . 2]"
1 27 PHE 0.011 0.010 20 0 "[ . 1 . 2]"
1 28 GLY 0.077 0.040 14 0 "[ . 1 . 2]"
1 29 TYR 0.026 0.005 20 0 "[ . 1 . 2]"
1 30 LYS 0.002 0.002 7 0 "[ . 1 . 2]"
1 31 ARG 0.004 0.002 10 0 "[ . 1 . 2]"
1 32 ARG 0.006 0.004 19 0 "[ . 1 . 2]"
1 33 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLY 0.006 0.003 12 0 "[ . 1 . 2]"
1 35 VAL 0.166 0.160 20 0 "[ . 1 . 2]"
1 37 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ILE 0.022 0.012 19 0 "[ . 1 . 2]"
1 40 ALA 0.008 0.007 19 0 "[ . 1 . 2]"
1 41 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 VAL 0.001 0.001 7 0 "[ . 1 . 2]"
1 45 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 CYS 4.254 0.309 20 0 "[ . 1 . 2]"
1 47 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 TYR 0.084 0.042 20 0 "[ . 1 . 2]"
1 51 GLY 0.026 0.026 20 0 "[ . 1 . 2]"
1 52 ALA 0.330 0.330 10 0 "[ . 1 . 2]"
1 53 TYR 0.003 0.003 10 0 "[ . 1 . 2]"
1 54 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 VAL 4.116 0.326 19 0 "[ . 1 . 2]"
1 56 SER 0.090 0.037 15 0 "[ . 1 . 2]"
1 57 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ASP 0.285 0.285 15 0 "[ . 1 . 2]"
1 59 LYS 0.924 0.334 17 0 "[ . 1 . 2]"
1 60 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ASP 0.285 0.285 8 0 "[ . 1 . 2]"
1 62 VAL 3.502 0.951 11 4 "[ -* 1+ .* 2]"
1 63 LYS 0.001 0.001 9 0 "[ . 1 . 2]"
1 64 VAL 4.042 0.309 20 0 "[ . 1 . 2]"
1 65 SER 4.360 0.326 19 0 "[ . 1 . 2]"
1 66 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 LEU 0.036 0.009 7 0 "[ . 1 . 2]"
1 73 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 THR 0.015 0.011 7 0 "[ . 1 . 2]"
1 75 ILE 19.606 1.007 8 20 [-******+************]
1 76 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 GLY 0.004 0.004 17 0 "[ . 1 . 2]"
1 78 VAL 0.032 0.007 20 0 "[ . 1 . 2]"
1 79 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 PHE 0.003 0.002 18 0 "[ . 1 . 2]"
1 81 LYS 0.001 0.001 18 0 "[ . 1 . 2]"
1 82 ARG 0.000 0.000 8 0 "[ . 1 . 2]"
1 83 SER 0.409 0.056 4 0 "[ . 1 . 2]"
1 89 ALA 0.001 0.001 4 0 "[ . 1 . 2]"
1 90 GLY 0.004 0.004 14 0 "[ . 1 . 2]"
1 91 LEU 0.005 0.005 19 0 "[ . 1 . 2]"
1 92 VAL 0.004 0.003 19 0 "[ . 1 . 2]"
1 93 ALA 0.378 0.056 4 0 "[ . 1 . 2]"
1 94 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 SER 0.200 0.160 20 0 "[ . 1 . 2]"
1 97 LEU 0.000 0.000 10 0 "[ . 1 . 2]"
1 98 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 MET 0.019 0.010 17 0 "[ . 1 . 2]"
1 100 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 ARG 0.003 0.003 19 0 "[ . 1 . 2]"
1 103 LEU 0.005 0.003 20 0 "[ . 1 . 2]"
1 104 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 LEU 24.883 1.007 8 20 [***-***+************]
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 16 GLY H 1 29 TYR CB . 17.800 25.800 21.861 20.302 22.122 . 0 0 "[ . 1 . 2]" 1
2 1 17 TYR H 1 29 TYR CB . 15.900 23.900 20.487 19.030 20.805 . 0 0 "[ . 1 . 2]" 1
3 1 18 ALA H 1 29 TYR CB . 13.100 21.100 18.594 17.037 18.912 . 0 0 "[ . 1 . 2]" 1
4 1 19 ALA H 1 29 TYR CB . 10.200 18.200 17.195 15.616 17.465 . 0 0 "[ . 1 . 2]" 1
5 1 19 ALA H 1 108 LEU CB . 20.800 28.800 27.625 25.623 28.804 0.004 7 0 "[ . 1 . 2]" 1
6 1 20 LEU H 1 29 TYR CB . 8.600 16.600 16.072 14.645 16.350 . 0 0 "[ . 1 . 2]" 1
7 1 21 VAL H 1 46 CYS CB . 22.700 28.700 27.253 26.062 28.190 . 0 0 "[ . 1 . 2]" 1
8 1 22 THR H 1 29 TYR CB . . 14.700 12.684 11.273 12.832 . 0 0 "[ . 1 . 2]" 1
9 1 22 THR H 1 46 CYS CB . 23.700 29.700 24.959 23.854 25.955 . 0 0 "[ . 1 . 2]" 1
10 1 23 PHE H 1 29 TYR CB . . 14.700 11.819 10.349 12.006 . 0 0 "[ . 1 . 2]" 1
11 1 23 PHE H 1 46 CYS CB . 22.500 28.500 23.413 22.995 24.779 . 0 0 "[ . 1 . 2]" 1
12 1 24 GLY H 1 29 TYR CB . . 15.000 10.723 9.359 10.973 . 0 0 "[ . 1 . 2]" 1
13 1 24 GLY H 1 46 CYS CB . 21.900 27.900 23.553 23.034 24.142 . 0 0 "[ . 1 . 2]" 1
14 1 25 SER H 1 29 TYR CB . . 15.000 8.884 7.532 9.248 . 0 0 "[ . 1 . 2]" 1
15 1 25 SER H 1 46 CYS CB . 20.800 26.800 22.907 21.240 23.866 . 0 0 "[ . 1 . 2]" 1
16 1 25 SER H 1 108 LEU CB . 20.300 28.300 25.615 23.794 27.520 . 0 0 "[ . 1 . 2]" 1
17 1 26 ILE H 1 29 TYR CB . . 14.800 7.121 5.299 7.379 . 0 0 "[ . 1 . 2]" 1
18 1 26 ILE H 1 46 CYS CB . 20.100 26.100 20.280 20.093 21.061 0.007 14 0 "[ . 1 . 2]" 1
19 1 26 ILE H 1 65 SER CB . 21.500 27.500 27.116 26.328 27.507 0.007 20 0 "[ . 1 . 2]" 1
20 1 26 ILE H 1 96 SER CB . 23.200 29.200 25.239 24.448 26.848 . 0 0 "[ . 1 . 2]" 1
21 1 27 PHE H 1 29 TYR CB . . 14.700 6.632 5.585 7.190 . 0 0 "[ . 1 . 2]" 1
22 1 27 PHE H 1 46 CYS CB . 18.500 24.500 19.486 18.490 21.509 0.010 20 0 "[ . 1 . 2]" 1
23 1 27 PHE H 1 96 SER CB . 23.100 29.100 25.470 23.120 28.557 . 0 0 "[ . 1 . 2]" 1
24 1 28 GLY H 1 29 TYR CB . . 14.900 5.157 4.710 5.248 . 0 0 "[ . 1 . 2]" 1
25 1 28 GLY H 1 46 CYS CB . 15.200 21.200 19.600 18.210 20.423 . 0 0 "[ . 1 . 2]" 1
26 1 28 GLY H 1 65 SER CB . 21.900 27.900 27.555 25.992 27.909 0.009 13 0 "[ . 1 . 2]" 1
27 1 28 GLY H 1 96 SER CB . 21.500 27.500 26.985 24.768 27.504 0.004 11 0 "[ . 1 . 2]" 1
28 1 28 GLY H 1 108 LEU CB . 18.300 26.300 23.450 20.421 26.340 0.040 14 0 "[ . 1 . 2]" 1
29 1 29 TYR CB 1 30 LYS H . . 14.800 3.606 2.479 4.071 . 0 0 "[ . 1 . 2]" 1
30 1 29 TYR CB 1 31 ARG H . . 14.800 5.869 4.418 7.391 . 0 0 "[ . 1 . 2]" 1
31 1 29 TYR CB 1 32 ARG H . . 14.700 7.682 5.906 10.085 . 0 0 "[ . 1 . 2]" 1
32 1 29 TYR CB 1 33 GLY H . . 14.700 9.679 8.243 12.004 . 0 0 "[ . 1 . 2]" 1
33 1 29 TYR CB 1 34 GLY H . . 14.900 12.066 9.667 13.017 . 0 0 "[ . 1 . 2]" 1
34 1 29 TYR CB 1 35 VAL H . . 15.100 13.973 11.938 15.101 0.001 15 0 "[ . 1 . 2]" 1
35 1 29 TYR CB 1 38 LEU H . 10.800 18.800 16.884 14.859 18.343 . 0 0 "[ . 1 . 2]" 1
36 1 29 TYR CB 1 39 ILE H . 10.500 18.500 14.308 12.628 15.530 . 0 0 "[ . 1 . 2]" 1
37 1 29 TYR CB 1 40 ALA H . 10.300 18.300 15.632 13.939 16.890 . 0 0 "[ . 1 . 2]" 1
38 1 29 TYR CB 1 41 GLY H . 9.900 17.900 16.894 15.699 17.729 . 0 0 "[ . 1 . 2]" 1
39 1 29 TYR CB 1 42 LEU H . 10.700 18.700 15.325 14.341 16.108 . 0 0 "[ . 1 . 2]" 1
40 1 29 TYR CB 1 44 VAL H . 10.200 18.200 17.436 15.984 18.201 0.001 7 0 "[ . 1 . 2]" 1
41 1 29 TYR CB 1 45 GLY H . 11.600 19.600 18.494 17.213 19.374 . 0 0 "[ . 1 . 2]" 1
42 1 29 TYR H 1 46 CYS CB . 13.600 19.600 17.802 16.556 18.816 . 0 0 "[ . 1 . 2]" 1
43 1 29 TYR CB 1 48 ALA H . 18.200 26.200 20.647 19.855 21.257 . 0 0 "[ . 1 . 2]" 1
44 1 29 TYR CB 1 49 GLY H . 18.700 26.700 21.089 20.304 21.921 . 0 0 "[ . 1 . 2]" 1
45 1 29 TYR CB 1 50 TYR H . 18.600 26.600 19.659 18.975 20.736 . 0 0 "[ . 1 . 2]" 1
46 1 29 TYR CB 1 51 GLY H . 17.800 25.800 21.102 20.517 21.964 . 0 0 "[ . 1 . 2]" 1
47 1 29 TYR CB 1 52 ALA H . 17.500 25.500 23.764 23.318 24.720 . 0 0 "[ . 1 . 2]" 1
48 1 29 TYR CB 1 53 TYR H . 20.100 28.100 23.627 22.696 24.704 . 0 0 "[ . 1 . 2]" 1
49 1 29 TYR CB 1 54 ARG H . 17.500 25.500 23.859 22.844 24.844 . 0 0 "[ . 1 . 2]" 1
50 1 29 TYR CB 1 55 VAL H . 18.700 26.700 25.838 24.150 26.705 0.005 20 0 "[ . 1 . 2]" 1
51 1 29 TYR CB 1 89 ALA H . 20.500 28.500 27.588 26.348 28.466 . 0 0 "[ . 1 . 2]" 1
52 1 29 TYR CB 1 92 VAL H . 18.200 26.200 25.583 24.368 26.203 0.003 19 0 "[ . 1 . 2]" 1
53 1 29 TYR CB 1 95 LEU H . 20.700 28.700 22.954 22.011 23.735 . 0 0 "[ . 1 . 2]" 1
54 1 29 TYR CB 1 96 SER H . 18.900 26.900 24.375 24.021 24.748 . 0 0 "[ . 1 . 2]" 1
55 1 29 TYR H 1 96 SER CB . 20.300 26.300 25.754 24.417 26.303 0.003 3 0 "[ . 1 . 2]" 1
56 1 29 TYR CB 1 97 LEU H . 16.400 24.400 22.752 22.130 23.766 . 0 0 "[ . 1 . 2]" 1
57 1 29 TYR CB 1 104 VAL H . 21.200 29.200 25.019 23.776 26.397 . 0 0 "[ . 1 . 2]" 1
58 1 29 TYR CB 1 108 LEU H . 17.300 25.300 25.004 24.296 25.304 0.004 7 0 "[ . 1 . 2]" 1
59 1 29 TYR H 1 108 LEU CB . 16.500 24.500 23.068 20.941 24.479 . 0 0 "[ . 1 . 2]" 1
60 1 30 LYS H 1 46 CYS CB . 16.900 22.900 18.089 16.898 19.396 0.002 7 0 "[ . 1 . 2]" 1
61 1 30 LYS H 1 96 SER CB . 21.700 27.700 25.942 24.644 27.204 . 0 0 "[ . 1 . 2]" 1
62 1 31 ARG H 1 46 CYS CB . 16.800 22.800 18.357 16.959 21.117 . 0 0 "[ . 1 . 2]" 1
63 1 31 ARG H 1 96 SER CB . 23.200 29.200 26.022 23.198 29.200 0.002 10 0 "[ . 1 . 2]" 1
64 1 32 ARG H 1 46 CYS CB . 14.900 20.900 18.076 15.034 20.898 . 0 0 "[ . 1 . 2]" 1
65 1 32 ARG H 1 65 SER CB . 22.900 28.900 25.457 23.323 27.576 . 0 0 "[ . 1 . 2]" 1
66 1 32 ARG H 1 96 SER CB . 19.600 25.600 24.519 23.247 25.604 0.004 19 0 "[ . 1 . 2]" 1
67 1 33 GLY H 1 46 CYS CB . 13.800 19.800 17.218 14.412 19.715 . 0 0 "[ . 1 . 2]" 1
68 1 33 GLY H 1 65 SER CB . 19.600 25.600 23.834 21.589 25.406 . 0 0 "[ . 1 . 2]" 1
69 1 33 GLY H 1 96 SER CB . 18.100 24.100 22.613 20.589 24.099 . 0 0 "[ . 1 . 2]" 1
70 1 33 GLY H 1 108 LEU CB . 21.300 29.300 27.155 24.913 28.807 . 0 0 "[ . 1 . 2]" 1
71 1 34 GLY H 1 46 CYS CB . 13.900 19.900 16.645 14.381 19.576 . 0 0 "[ . 1 . 2]" 1
72 1 34 GLY H 1 65 SER CB . 20.700 26.700 22.396 20.768 23.863 . 0 0 "[ . 1 . 2]" 1
73 1 34 GLY H 1 83 SER CB . 20.200 28.200 22.746 20.197 25.054 0.003 12 0 "[ . 1 . 2]" 1
74 1 34 GLY H 1 96 SER CB . 17.300 23.300 21.077 18.840 22.752 . 0 0 "[ . 1 . 2]" 1
75 1 34 GLY H 1 108 LEU CB . 20.300 28.300 27.450 26.308 28.302 0.002 12 0 "[ . 1 . 2]" 1
76 1 35 VAL H 1 46 CYS CB . 15.300 21.300 16.670 15.433 18.245 . 0 0 "[ . 1 . 2]" 1
77 1 35 VAL H 1 65 SER CB . 20.500 26.500 21.608 20.632 23.715 . 0 0 "[ . 1 . 2]" 1
78 1 35 VAL H 1 83 SER CB . 18.900 26.900 20.923 18.895 25.249 0.005 19 0 "[ . 1 . 2]" 1
79 1 35 VAL H 1 96 SER CB . 17.600 23.600 20.101 18.080 23.760 0.160 20 0 "[ . 1 . 2]" 1
80 1 37 SER H 1 65 SER CB . 15.500 21.500 17.781 16.505 18.635 . 0 0 "[ . 1 . 2]" 1
81 1 37 SER H 1 83 SER CB . 15.500 23.500 18.223 15.918 20.968 . 0 0 "[ . 1 . 2]" 1
82 1 38 LEU H 1 46 CYS CB . 9.300 15.300 13.462 12.994 14.178 . 0 0 "[ . 1 . 2]" 1
83 1 38 LEU H 1 65 SER CB . 15.600 21.600 16.132 15.625 16.926 . 0 0 "[ . 1 . 2]" 1
84 1 38 LEU H 1 83 SER CB . 16.400 24.400 17.230 16.452 18.447 . 0 0 "[ . 1 . 2]" 1
85 1 38 LEU H 1 96 SER CB . 12.700 18.700 15.042 13.003 16.116 . 0 0 "[ . 1 . 2]" 1
86 1 39 ILE H 1 56 SER CB . 20.100 28.100 25.884 24.976 26.418 . 0 0 "[ . 1 . 2]" 1
87 1 39 ILE H 1 65 SER CB . 15.900 21.900 16.078 15.888 16.502 0.012 19 0 "[ . 1 . 2]" 1
88 1 39 ILE H 1 83 SER CB . 17.300 25.300 20.137 19.394 21.312 . 0 0 "[ . 1 . 2]" 1
89 1 39 ILE H 1 96 SER CB . 11.700 17.700 16.149 14.303 17.100 . 0 0 "[ . 1 . 2]" 1
90 1 39 ILE H 1 108 LEU CB . 18.700 26.700 23.627 22.657 24.862 . 0 0 "[ . 1 . 2]" 1
91 1 40 ALA H 1 46 CYS CB . . 12.000 10.592 10.330 11.429 . 0 0 "[ . 1 . 2]" 1
92 1 40 ALA H 1 56 SER CB . 20.400 28.400 24.246 23.251 25.095 . 0 0 "[ . 1 . 2]" 1
93 1 40 ALA H 1 65 SER CB . 13.800 19.800 15.453 14.440 17.055 . 0 0 "[ . 1 . 2]" 1
94 1 40 ALA H 1 83 SER CB . 16.600 24.600 20.622 19.058 22.320 . 0 0 "[ . 1 . 2]" 1
95 1 40 ALA H 1 96 SER CB . 11.900 17.900 17.011 15.220 17.907 0.007 19 0 "[ . 1 . 2]" 1
96 1 41 GLY H 1 46 CYS CB . . 12.000 9.423 9.092 10.237 . 0 0 "[ . 1 . 2]" 1
97 1 41 GLY H 1 56 SER CB . 16.900 24.900 22.773 21.763 23.569 . 0 0 "[ . 1 . 2]" 1
98 1 41 GLY H 1 65 SER CB . 11.600 17.600 12.887 12.071 14.841 . 0 0 "[ . 1 . 2]" 1
99 1 41 GLY H 1 83 SER CB . 17.200 25.200 19.768 18.820 21.154 . 0 0 "[ . 1 . 2]" 1
100 1 41 GLY H 1 96 SER CB . 10.900 16.900 14.657 12.870 16.404 . 0 0 "[ . 1 . 2]" 1
101 1 41 GLY H 1 108 LEU CB . 19.500 27.500 22.571 21.518 23.583 . 0 0 "[ . 1 . 2]" 1
102 1 42 LEU H 1 46 CYS CB . . 12.000 7.244 6.797 7.983 . 0 0 "[ . 1 . 2]" 1
103 1 42 LEU H 1 83 SER CB . 19.800 27.800 21.731 21.004 22.703 . 0 0 "[ . 1 . 2]" 1
104 1 42 LEU H 1 96 SER CB . 10.400 16.400 14.461 12.847 15.473 . 0 0 "[ . 1 . 2]" 1
105 1 42 LEU H 1 108 LEU CB . 17.500 25.500 20.364 19.673 21.319 . 0 0 "[ . 1 . 2]" 1
106 1 43 PHE H 1 46 CYS CB . . 12.000 5.819 5.499 6.531 . 0 0 "[ . 1 . 2]" 1
107 1 44 VAL H 1 46 CYS CB . . 12.000 5.959 5.527 6.796 . 0 0 "[ . 1 . 2]" 1
108 1 44 VAL H 1 56 SER CB . 13.200 21.200 18.305 17.145 19.220 . 0 0 "[ . 1 . 2]" 1
109 1 44 VAL H 1 65 SER CB . 9.700 15.700 11.438 10.084 14.000 . 0 0 "[ . 1 . 2]" 1
110 1 44 VAL H 1 83 SER CB . 20.900 28.900 23.633 22.426 25.370 . 0 0 "[ . 1 . 2]" 1
111 1 44 VAL H 1 96 SER CB . 12.700 18.700 16.422 14.848 18.319 . 0 0 "[ . 1 . 2]" 1
112 1 44 VAL H 1 108 LEU CB . 17.100 25.100 20.995 19.941 22.054 . 0 0 "[ . 1 . 2]" 1
113 1 45 GLY H 1 46 CYS CB . . 12.000 5.348 5.046 5.496 . 0 0 "[ . 1 . 2]" 1
114 1 45 GLY H 1 56 SER CB . 12.400 20.400 17.313 16.315 17.890 . 0 0 "[ . 1 . 2]" 1
115 1 45 GLY H 1 65 SER CB . 7.200 13.200 8.784 7.515 11.670 . 0 0 "[ . 1 . 2]" 1
116 1 45 GLY H 1 96 SER CB . 10.900 16.900 14.212 12.379 16.690 . 0 0 "[ . 1 . 2]" 1
117 1 45 GLY H 1 108 LEU CB . 17.200 25.200 19.041 17.747 21.030 . 0 0 "[ . 1 . 2]" 1
118 1 46 CYS CB 1 47 LEU H . . 12.000 2.908 2.723 3.362 . 0 0 "[ . 1 . 2]" 1
119 1 46 CYS CB 1 48 ALA H . . 12.000 5.041 4.657 5.703 . 0 0 "[ . 1 . 2]" 1
120 1 46 CYS CB 1 49 GLY H . . 12.000 5.340 5.041 5.800 . 0 0 "[ . 1 . 2]" 1
121 1 46 CYS CB 1 50 TYR H . . 12.000 4.518 4.081 4.772 . 0 0 "[ . 1 . 2]" 1
122 1 46 CYS CB 1 51 GLY H . . 12.000 6.052 5.520 6.698 . 0 0 "[ . 1 . 2]" 1
123 1 46 CYS CB 1 52 ALA H . . 12.000 8.371 7.913 8.816 . 0 0 "[ . 1 . 2]" 1
124 1 46 CYS CB 1 54 ARG H . . 12.100 10.020 9.454 10.507 . 0 0 "[ . 1 . 2]" 1
125 1 46 CYS CB 1 55 VAL H . . 13.300 11.893 10.693 13.301 0.001 18 0 "[ . 1 . 2]" 1
126 1 46 CYS CB 1 56 SER H . 8.700 14.700 13.839 12.365 14.737 0.037 15 0 "[ . 1 . 2]" 1
127 1 46 CYS CB 1 57 ASN H . 11.600 17.600 15.450 13.913 17.210 . 0 0 "[ . 1 . 2]" 1
128 1 46 CYS CB 1 58 ASP H . 12.300 18.300 15.789 13.956 17.738 . 0 0 "[ . 1 . 2]" 1
129 1 46 CYS CB 1 59 LYS H . 10.300 16.300 15.766 12.792 16.310 0.010 13 0 "[ . 1 . 2]" 1
130 1 46 CYS CB 1 62 VAL H . 9.100 15.100 13.228 11.319 15.107 0.007 12 0 "[ . 1 . 2]" 1
131 1 46 CYS CB 1 63 LYS H . 9.900 15.900 14.597 14.177 15.099 . 0 0 "[ . 1 . 2]" 1
132 1 46 CYS CB 1 64 VAL H . 6.700 12.700 12.863 12.351 13.009 0.309 20 0 "[ . 1 . 2]" 1
133 1 46 CYS CB 1 65 SER H . 9.200 15.200 10.922 10.651 11.208 . 0 0 "[ . 1 . 2]" 1
134 1 46 CYS CB 1 66 LEU H . 10.200 16.200 13.211 12.956 13.494 . 0 0 "[ . 1 . 2]" 1
135 1 46 CYS CB 1 67 PHE H . 8.100 14.100 13.514 13.240 13.923 . 0 0 "[ . 1 . 2]" 1
136 1 46 CYS CB 1 68 THR H . 6.900 12.900 11.820 11.546 12.263 . 0 0 "[ . 1 . 2]" 1
137 1 46 CYS CB 1 69 ALA H . 9.900 15.900 12.445 11.867 13.021 . 0 0 "[ . 1 . 2]" 1
138 1 46 CYS CB 1 70 PHE H . 12.800 18.800 14.806 14.308 15.365 . 0 0 "[ . 1 . 2]" 1
139 1 46 CYS CB 1 71 PHE H . 11.300 17.300 14.916 14.542 15.561 . 0 0 "[ . 1 . 2]" 1
140 1 46 CYS CB 1 72 LEU H . 13.900 19.900 13.934 13.891 14.259 0.009 7 0 "[ . 1 . 2]" 1
141 1 46 CYS CB 1 73 ALA H . 11.300 17.300 15.828 15.345 16.224 . 0 0 "[ . 1 . 2]" 1
142 1 46 CYS CB 1 74 THR H . 12.200 18.200 18.033 17.765 18.211 0.011 7 0 "[ . 1 . 2]" 1
143 1 46 CYS CB 1 75 ILE H . 15.900 21.900 17.619 17.180 17.916 . 0 0 "[ . 1 . 2]" 1
144 1 46 CYS CB 1 76 MET H . 14.300 20.300 18.402 17.875 18.790 . 0 0 "[ . 1 . 2]" 1
145 1 46 CYS CB 1 77 GLY H . 16.200 22.200 20.669 19.811 21.340 . 0 0 "[ . 1 . 2]" 1
146 1 46 CYS CB 1 78 VAL H . 18.100 24.100 23.086 21.192 24.107 0.007 12 0 "[ . 1 . 2]" 1
147 1 46 CYS CB 1 79 ARG H . 19.300 25.300 24.018 21.866 25.272 . 0 0 "[ . 1 . 2]" 1
148 1 46 CYS CB 1 80 PHE H . 21.700 27.700 23.782 21.698 26.208 0.002 18 0 "[ . 1 . 2]" 1
149 1 46 CYS CB 1 89 ALA H . 17.100 23.100 21.557 20.352 23.000 . 0 0 "[ . 1 . 2]" 1
150 1 46 CYS CB 1 90 GLY H . 14.700 20.700 19.856 19.014 20.704 0.004 14 0 "[ . 1 . 2]" 1
151 1 46 CYS CB 1 91 LEU H . 12.300 18.300 17.215 16.342 18.305 0.005 19 0 "[ . 1 . 2]" 1
152 1 46 CYS CB 1 92 VAL H . 14.400 20.400 17.454 16.265 18.887 . 0 0 "[ . 1 . 2]" 1
153 1 46 CYS CB 1 93 ALA H . 12.800 18.800 17.301 16.524 18.052 . 0 0 "[ . 1 . 2]" 1
154 1 46 CYS CB 1 94 GLY H . 10.500 16.500 14.845 14.102 15.801 . 0 0 "[ . 1 . 2]" 1
155 1 46 CYS CB 1 95 LEU H . 11.800 17.800 13.468 12.406 14.672 . 0 0 "[ . 1 . 2]" 1
156 1 46 CYS CB 1 96 SER H . 11.800 17.800 15.028 14.016 16.017 . 0 0 "[ . 1 . 2]" 1
157 1 46 CYS CB 1 97 LEU H . 10.900 16.900 14.814 14.063 15.802 . 0 0 "[ . 1 . 2]" 1
158 1 46 CYS CB 1 98 MET H . 10.600 16.600 12.247 11.356 13.206 . 0 0 "[ . 1 . 2]" 1
159 1 46 CYS CB 1 99 MET H . 10.600 16.600 13.070 11.678 13.956 . 0 0 "[ . 1 . 2]" 1
160 1 46 CYS CB 1 100 ILE H . 11.300 17.300 15.300 14.228 15.817 . 0 0 "[ . 1 . 2]" 1
161 1 46 CYS CB 1 101 LEU H . 10.700 16.700 14.112 13.597 15.153 . 0 0 "[ . 1 . 2]" 1
162 1 46 CYS CB 1 102 ARG H . 11.300 17.300 13.345 12.546 13.878 . 0 0 "[ . 1 . 2]" 1
163 1 46 CYS CB 1 103 LEU H . 12.400 18.400 15.574 14.717 16.191 . 0 0 "[ . 1 . 2]" 1
164 1 46 CYS CB 1 104 VAL H . 15.100 21.100 16.761 16.077 17.227 . 0 0 "[ . 1 . 2]" 1
165 1 46 CYS CB 1 105 LEU H . 14.800 20.800 15.135 14.990 15.735 . 0 0 "[ . 1 . 2]" 1
166 1 46 CYS CB 1 106 LEU H . 15.700 21.700 16.138 15.701 16.988 . 0 0 "[ . 1 . 2]" 1
167 1 46 CYS CB 1 107 LEU H . 15.700 21.700 18.396 17.614 19.313 . 0 0 "[ . 1 . 2]" 1
168 1 46 CYS CB 1 108 LEU H . 14.700 20.700 17.370 16.658 17.986 . 0 0 "[ . 1 . 2]" 1
169 1 48 ALA H 1 96 SER CB . 13.600 19.600 16.893 15.002 19.421 . 0 0 "[ . 1 . 2]" 1
170 1 48 ALA H 1 108 LEU CB . 15.700 23.700 18.122 16.317 20.344 . 0 0 "[ . 1 . 2]" 1
171 1 49 GLY H 1 56 SER CB . 7.500 15.500 11.997 10.576 13.397 . 0 0 "[ . 1 . 2]" 1
172 1 49 GLY H 1 96 SER CB . 12.300 18.300 15.624 14.621 17.504 . 0 0 "[ . 1 . 2]" 1
173 1 49 GLY H 1 108 LEU CB . 12.700 20.700 15.515 13.366 18.846 . 0 0 "[ . 1 . 2]" 1
174 1 50 TYR H 1 65 SER CB . 9.400 15.400 9.465 9.358 9.795 0.042 20 0 "[ . 1 . 2]" 1
175 1 50 TYR H 1 96 SER CB . 14.400 20.400 17.405 17.383 17.424 . 0 0 "[ . 1 . 2]" 1
176 1 50 TYR H 1 108 LEU CB . 12.400 20.400 14.034 12.746 15.846 . 0 0 "[ . 1 . 2]" 1
177 1 51 GLY H 1 56 SER CB . . 12.000 9.398 8.316 10.075 . 0 0 "[ . 1 . 2]" 1
178 1 51 GLY H 1 65 SER CB . . 12.000 11.068 9.890 12.026 0.026 20 0 "[ . 1 . 2]" 1
179 1 51 GLY H 1 96 SER CB . 15.500 21.500 19.763 18.761 20.485 . 0 0 "[ . 1 . 2]" 1
180 1 51 GLY H 1 108 LEU CB . 12.800 20.800 16.483 15.302 17.903 . 0 0 "[ . 1 . 2]" 1
181 1 52 ALA H 1 56 SER CB . . 12.000 7.672 6.105 9.013 . 0 0 "[ . 1 . 2]" 1
182 1 52 ALA H 1 65 SER CB . . 12.000 10.159 8.879 11.445 . 0 0 "[ . 1 . 2]" 1
183 1 52 ALA H 1 96 SER CB . 15.100 21.100 19.568 18.208 20.783 . 0 0 "[ . 1 . 2]" 1
184 1 52 ALA H 1 108 LEU CB . 14.500 22.500 16.495 14.170 18.736 0.330 10 0 "[ . 1 . 2]" 1
185 1 53 TYR H 1 56 SER CB . . 12.000 7.242 5.980 8.827 . 0 0 "[ . 1 . 2]" 1
186 1 53 TYR H 1 65 SER CB . 7.600 13.600 11.278 10.705 11.764 . 0 0 "[ . 1 . 2]" 1
187 1 53 TYR H 1 96 SER CB . 19.700 25.700 20.310 19.697 20.913 0.003 10 0 "[ . 1 . 2]" 1
188 1 53 TYR H 1 108 LEU CB . 11.100 19.100 14.673 12.606 16.518 . 0 0 "[ . 1 . 2]" 1
189 1 54 ARG H 1 56 SER CB . . 12.000 6.400 5.653 7.575 . 0 0 "[ . 1 . 2]" 1
190 1 55 VAL H 1 56 SER CB . . 12.000 5.127 3.965 5.900 . 0 0 "[ . 1 . 2]" 1
191 1 55 VAL H 1 65 SER CB . 8.700 14.700 14.718 13.544 15.026 0.326 19 0 "[ . 1 . 2]" 1
192 1 55 VAL H 1 108 LEU CB . 13.600 21.600 18.025 15.326 20.351 . 0 0 "[ . 1 . 2]" 1
193 1 56 SER CB 1 57 ASN H . . 12.000 3.232 2.580 4.045 . 0 0 "[ . 1 . 2]" 1
194 1 56 SER CB 1 58 ASP H . . 12.000 5.688 3.768 7.422 . 0 0 "[ . 1 . 2]" 1
195 1 56 SER CB 1 61 ASP H . 7.100 15.100 11.610 8.570 14.097 . 0 0 "[ . 1 . 2]" 1
196 1 56 SER CB 1 62 VAL H . 8.200 16.200 13.541 10.704 15.368 . 0 0 "[ . 1 . 2]" 1
197 1 56 SER CB 1 63 LYS H . 12.400 20.400 13.711 12.399 15.612 0.001 9 0 "[ . 1 . 2]" 1
198 1 56 SER CB 1 64 VAL H . 5.900 13.900 12.215 10.891 13.347 . 0 0 "[ . 1 . 2]" 1
199 1 56 SER CB 1 65 SER H . 8.100 16.100 13.948 13.277 15.137 . 0 0 "[ . 1 . 2]" 1
200 1 56 SER CB 1 67 PHE H . 9.600 17.600 15.466 14.113 16.250 . 0 0 "[ . 1 . 2]" 1
201 1 56 SER CB 1 68 THR H . 10.200 18.200 15.941 15.070 16.660 . 0 0 "[ . 1 . 2]" 1
202 1 56 SER CB 1 69 ALA H . 13.400 21.400 18.372 17.597 19.175 . 0 0 "[ . 1 . 2]" 1
203 1 56 SER CB 1 70 PHE H . 13.900 21.900 19.437 18.228 20.532 . 0 0 "[ . 1 . 2]" 1
204 1 56 SER CB 1 71 PHE H . 13.500 21.500 18.825 17.732 19.964 . 0 0 "[ . 1 . 2]" 1
205 1 56 SER CB 1 72 LEU H . 13.900 21.900 19.902 18.709 21.117 . 0 0 "[ . 1 . 2]" 1
206 1 56 SER CB 1 73 ALA H . 16.600 24.600 22.696 21.615 23.887 . 0 0 "[ . 1 . 2]" 1
207 1 56 SER CB 1 74 THR H . 17.400 25.400 23.323 22.261 24.505 . 0 0 "[ . 1 . 2]" 1
208 1 56 SER CB 1 76 MET H . 18.600 26.600 25.402 24.278 26.599 . 0 0 "[ . 1 . 2]" 1
209 1 56 SER CB 1 99 MET H . 20.900 28.900 21.446 20.890 22.679 0.010 17 0 "[ . 1 . 2]" 1
210 1 56 SER CB 1 100 ILE H . 21.900 29.900 23.359 22.588 24.734 . 0 0 "[ . 1 . 2]" 1
211 1 56 SER CB 1 101 LEU H . 21.100 29.100 22.981 22.110 24.282 . 0 0 "[ . 1 . 2]" 1
212 1 56 SER CB 1 102 ARG H . 18.700 26.700 20.671 19.701 21.893 . 0 0 "[ . 1 . 2]" 1
213 1 56 SER CB 1 103 LEU H . 18.800 26.800 21.516 20.389 23.313 . 0 0 "[ . 1 . 2]" 1
214 1 56 SER CB 1 104 VAL H . 19.300 27.300 22.764 21.448 24.232 . 0 0 "[ . 1 . 2]" 1
215 1 56 SER CB 1 105 LEU H . 18.300 26.300 20.950 19.631 22.620 . 0 0 "[ . 1 . 2]" 1
216 1 56 SER CB 1 106 LEU H . 17.500 25.500 19.678 18.251 21.375 . 0 0 "[ . 1 . 2]" 1
217 1 56 SER CB 1 107 LEU H . 15.500 23.500 21.337 19.416 23.026 . 0 0 "[ . 1 . 2]" 1
218 1 56 SER CB 1 108 LEU H . 14.800 22.800 20.967 18.717 22.582 . 0 0 "[ . 1 . 2]" 1
219 1 57 ASN H 1 96 SER CB . 22.500 28.500 24.831 23.010 27.100 . 0 0 "[ . 1 . 2]" 1
220 1 57 ASN H 1 108 LEU CB . 15.500 23.500 20.191 18.328 21.881 . 0 0 "[ . 1 . 2]" 1
221 1 58 ASP H 1 65 SER CB . 9.500 15.500 13.914 12.461 15.183 . 0 0 "[ . 1 . 2]" 1
222 1 58 ASP H 1 96 SER CB . 22.300 28.300 23.630 22.317 25.168 . 0 0 "[ . 1 . 2]" 1
223 1 58 ASP H 1 108 LEU CB . 16.400 24.400 19.881 16.115 22.852 0.285 15 0 "[ . 1 . 2]" 1
224 1 59 LYS H 1 96 SER CB . 20.900 26.900 21.894 20.999 23.504 . 0 0 "[ . 1 . 2]" 1
225 1 59 LYS H 1 108 LEU CB . 12.700 20.700 18.337 14.930 21.034 0.334 17 0 "[ . 1 . 2]" 1
226 1 60 ARG H 1 65 SER CB . . 12.000 9.826 8.496 11.908 . 0 0 "[ . 1 . 2]" 1
227 1 60 ARG H 1 96 SER CB . 16.100 22.100 18.745 17.269 21.357 . 0 0 "[ . 1 . 2]" 1
228 1 61 ASP H 1 65 SER CB . . 12.000 8.572 6.293 10.323 . 0 0 "[ . 1 . 2]" 1
229 1 61 ASP H 1 96 SER CB . 14.100 20.100 16.823 14.815 18.290 . 0 0 "[ . 1 . 2]" 1
230 1 61 ASP H 1 108 LEU CB . 11.900 19.900 14.108 11.615 17.333 0.285 8 0 "[ . 1 . 2]" 1
231 1 62 VAL H 1 65 SER CB . . 12.000 5.942 4.573 7.158 . 0 0 "[ . 1 . 2]" 1
232 1 62 VAL H 1 96 SER CB . 11.500 17.500 13.885 11.995 15.369 . 0 0 "[ . 1 . 2]" 1
233 1 62 VAL H 1 108 LEU CB . 12.900 20.900 13.814 11.949 15.766 0.951 11 4 "[ -* 1+ .* 2]" 1
234 1 63 LYS H 1 65 SER CB . . 12.000 6.150 5.614 6.434 . 0 0 "[ . 1 . 2]" 1
235 1 63 LYS H 1 96 SER CB . 10.100 16.100 14.352 13.151 14.890 . 0 0 "[ . 1 . 2]" 1
236 1 64 VAL H 1 96 SER CB . 10.800 16.800 14.906 14.336 15.227 . 0 0 "[ . 1 . 2]" 1
237 1 64 VAL H 1 108 LEU CB . 11.200 19.200 16.893 15.644 17.844 . 0 0 "[ . 1 . 2]" 1
238 1 65 SER CB 1 66 LEU H . . 12.000 3.032 2.936 3.089 . 0 0 "[ . 1 . 2]" 1
239 1 65 SER CB 1 67 PHE H . . 12.000 4.960 4.774 5.061 . 0 0 "[ . 1 . 2]" 1
240 1 65 SER CB 1 71 PHE H . . 12.000 8.980 8.712 9.342 . 0 0 "[ . 1 . 2]" 1
241 1 65 SER CB 1 72 LEU H . 6.400 12.400 9.555 9.370 9.755 . 0 0 "[ . 1 . 2]" 1
242 1 65 SER CB 1 73 ALA H . . 12.000 10.858 10.321 11.303 . 0 0 "[ . 1 . 2]" 1
243 1 65 SER CB 1 74 THR H . 7.300 13.300 12.758 12.335 13.129 . 0 0 "[ . 1 . 2]" 1
244 1 65 SER CB 1 75 ILE H . 8.100 14.100 14.036 13.865 14.117 0.017 17 0 "[ . 1 . 2]" 1
245 1 65 SER CB 1 76 MET H . 9.600 15.600 15.200 14.724 15.514 . 0 0 "[ . 1 . 2]" 1
246 1 65 SER CB 1 81 LYS H . 14.900 20.900 19.011 17.057 20.901 0.001 18 0 "[ . 1 . 2]" 1
247 1 65 SER CB 1 82 ARG H . 17.200 23.200 20.840 18.873 23.200 0.000 8 0 "[ . 1 . 2]" 1
248 1 65 SER CB 1 83 SER H . 17.100 23.100 21.990 20.567 22.831 . 0 0 "[ . 1 . 2]" 1
249 1 65 SER H 1 83 SER CB . 21.000 29.000 25.737 25.171 26.226 . 0 0 "[ . 1 . 2]" 1
250 1 65 SER CB 1 89 ALA H . 14.600 20.600 17.496 16.248 18.634 . 0 0 "[ . 1 . 2]" 1
251 1 65 SER CB 1 90 GLY H . 13.300 19.300 16.564 15.465 17.552 . 0 0 "[ . 1 . 2]" 1
252 1 65 SER CB 1 91 LEU H . 12.300 18.300 14.058 12.709 15.178 . 0 0 "[ . 1 . 2]" 1
253 1 65 SER CB 1 92 VAL H . 10.100 16.100 12.492 11.669 13.161 . 0 0 "[ . 1 . 2]" 1
254 1 65 SER CB 1 93 ALA H . 10.200 16.200 12.642 11.972 13.318 . 0 0 "[ . 1 . 2]" 1
255 1 65 SER CB 1 94 GLY H . 8.200 14.200 10.990 10.053 11.980 . 0 0 "[ . 1 . 2]" 1
256 1 65 SER CB 1 95 LEU H . 6.600 12.600 8.426 7.562 9.406 . 0 0 "[ . 1 . 2]" 1
257 1 65 SER CB 1 96 SER H . 6.200 12.200 8.678 8.168 9.130 . 0 0 "[ . 1 . 2]" 1
258 1 65 SER H 1 96 SER CB . 10.400 16.400 12.396 11.883 12.515 . 0 0 "[ . 1 . 2]" 1
259 1 65 SER CB 1 97 LEU H . 8.700 14.700 9.873 9.133 10.425 . 0 0 "[ . 1 . 2]" 1
260 1 65 SER CB 1 98 MET H . . 11.900 7.758 6.562 8.737 . 0 0 "[ . 1 . 2]" 1
261 1 65 SER CB 1 99 MET H . . 10.500 6.371 5.889 6.825 . 0 0 "[ . 1 . 2]" 1
262 1 65 SER CB 1 100 ILE H . 6.900 12.900 8.962 8.632 9.751 . 0 0 "[ . 1 . 2]" 1
263 1 65 SER CB 1 101 LEU H . 8.400 14.400 9.888 8.742 10.490 . 0 0 "[ . 1 . 2]" 1
264 1 65 SER CB 1 102 ARG H . 7.800 13.800 8.550 7.797 9.182 0.003 19 0 "[ . 1 . 2]" 1
265 1 65 SER CB 1 103 LEU H . 9.700 15.700 9.991 9.697 11.056 0.003 20 0 "[ . 1 . 2]" 1
266 1 65 SER CB 1 104 VAL H . 10.200 16.200 12.585 11.660 13.838 . 0 0 "[ . 1 . 2]" 1
267 1 65 SER CB 1 105 LEU H . 10.900 16.900 12.195 11.297 13.114 . 0 0 "[ . 1 . 2]" 1
268 1 65 SER CB 1 106 LEU H . 11.500 17.500 12.327 11.629 13.498 . 0 0 "[ . 1 . 2]" 1
269 1 65 SER CB 1 107 LEU H . 13.100 19.100 15.261 14.562 16.390 . 0 0 "[ . 1 . 2]" 1
270 1 65 SER CB 1 108 LEU H . 13.800 19.800 15.910 15.413 16.513 . 0 0 "[ . 1 . 2]" 1
271 1 65 SER H 1 108 LEU CB . 9.300 17.300 16.127 15.356 16.681 . 0 0 "[ . 1 . 2]" 1
272 1 66 LEU H 1 83 SER CB . 17.400 25.400 23.892 22.962 24.513 . 0 0 "[ . 1 . 2]" 1
273 1 66 LEU H 1 96 SER CB . 8.300 14.300 11.251 10.486 11.890 . 0 0 "[ . 1 . 2]" 1
274 1 66 LEU H 1 108 LEU CB . 10.600 18.600 18.055 17.406 18.599 . 0 0 "[ . 1 . 2]" 1
275 1 67 PHE H 1 96 SER CB . 10.900 16.900 13.316 12.553 13.980 . 0 0 "[ . 1 . 2]" 1
276 1 67 PHE H 1 108 LEU CB . 15.700 23.700 20.191 19.503 20.778 . 0 0 "[ . 1 . 2]" 1
277 1 68 THR H 1 83 SER CB . 15.100 23.100 22.641 22.140 23.009 . 0 0 "[ . 1 . 2]" 1
278 1 68 THR H 1 96 SER CB . 10.700 16.700 12.755 12.116 13.341 . 0 0 "[ . 1 . 2]" 1
279 1 68 THR H 1 108 LEU CB . 17.600 25.600 20.288 19.764 20.726 . 0 0 "[ . 1 . 2]" 1
280 1 69 ALA H 1 83 SER CB . 18.300 26.300 20.162 19.638 20.553 . 0 0 "[ . 1 . 2]" 1
281 1 69 ALA H 1 96 SER CB . 8.900 14.900 10.989 10.314 11.785 . 0 0 "[ . 1 . 2]" 1
282 1 69 ALA H 1 108 LEU CB . 18.800 26.800 20.957 20.661 21.235 . 0 0 "[ . 1 . 2]" 1
283 1 70 PHE H 1 83 SER CB . 18.100 26.100 19.567 18.978 20.267 . 0 0 "[ . 1 . 2]" 1
284 1 70 PHE H 1 96 SER CB . 10.800 16.800 12.220 11.365 13.108 . 0 0 "[ . 1 . 2]" 1
285 1 70 PHE H 1 108 LEU CB . 20.900 28.900 23.167 22.732 23.545 . 0 0 "[ . 1 . 2]" 1
286 1 71 PHE H 1 83 SER CB . 18.900 26.900 20.415 19.904 20.946 . 0 0 "[ . 1 . 2]" 1
287 1 71 PHE H 1 96 SER CB . 13.100 19.100 14.790 14.020 15.970 . 0 0 "[ . 1 . 2]" 1
288 1 72 LEU H 1 83 SER CB . 12.700 20.700 18.919 18.149 19.687 . 0 0 "[ . 1 . 2]" 1
289 1 72 LEU H 1 96 SER CB . 10.500 16.500 14.420 13.548 15.661 . 0 0 "[ . 1 . 2]" 1
290 1 73 ALA H 1 83 SER CB . 9.700 17.700 16.074 15.386 16.802 . 0 0 "[ . 1 . 2]" 1
291 1 73 ALA H 1 96 SER CB . 10.500 16.500 13.499 12.635 14.765 . 0 0 "[ . 1 . 2]" 1
292 1 74 THR H 1 96 SER CB . 13.400 19.400 15.841 14.944 17.020 . 0 0 "[ . 1 . 2]" 1
293 1 75 ILE H 1 83 SER CB . 15.900 23.900 17.337 16.977 18.063 . 0 0 "[ . 1 . 2]" 1
294 1 75 ILE H 1 96 SER CB . 14.900 20.900 17.532 16.749 18.794 . 0 0 "[ . 1 . 2]" 1
295 1 75 ILE H 1 108 LEU CB . 20.500 28.500 29.477 29.270 29.507 1.007 8 20 [-******+************] 1
296 1 76 MET H 1 83 SER CB . 14.800 22.800 15.271 14.994 15.968 . 0 0 "[ . 1 . 2]" 1
297 1 76 MET H 1 96 SER CB . 15.400 21.400 17.392 16.663 18.738 . 0 0 "[ . 1 . 2]" 1
298 1 77 GLY H 1 83 SER CB . 12.900 20.900 13.552 12.896 14.777 0.004 17 0 "[ . 1 . 2]" 1
299 1 77 GLY H 1 96 SER CB . 13.500 19.500 17.753 16.768 19.004 . 0 0 "[ . 1 . 2]" 1
300 1 78 VAL H 1 83 SER CB . . 12.000 11.745 10.948 12.007 0.007 20 0 "[ . 1 . 2]" 1
301 1 78 VAL H 1 96 SER CB . 15.800 21.800 18.280 16.252 21.406 . 0 0 "[ . 1 . 2]" 1
302 1 79 ARG H 1 96 SER CB . 13.800 19.800 17.401 15.286 19.460 . 0 0 "[ . 1 . 2]" 1
303 1 80 PHE H 1 83 SER CB . 7.600 15.600 9.925 8.078 11.961 . 0 0 "[ . 1 . 2]" 1
304 1 83 SER CB 1 89 ALA H . . 12.000 7.231 6.896 8.178 . 0 0 "[ . 1 . 2]" 1
305 1 83 SER CB 1 90 GLY H . . 12.600 9.481 8.667 10.528 . 0 0 "[ . 1 . 2]" 1
306 1 83 SER CB 1 92 VAL H . . 12.500 11.815 11.562 12.193 . 0 0 "[ . 1 . 2]" 1
307 1 83 SER CB 1 93 ALA H . . 13.100 13.116 13.042 13.156 0.056 4 0 "[ . 1 . 2]" 1
308 1 83 SER CB 1 96 SER H . 10.500 18.500 17.426 17.233 17.701 . 0 0 "[ . 1 . 2]" 1
309 1 83 SER CB 1 98 MET H . 20.400 28.400 20.881 20.707 21.008 . 0 0 "[ . 1 . 2]" 1
310 1 89 ALA H 1 96 SER CB . . 12.000 11.752 11.371 12.001 0.001 4 0 "[ . 1 . 2]" 1
311 1 90 GLY H 1 96 SER CB . . 12.000 10.460 10.254 10.584 . 0 0 "[ . 1 . 2]" 1
312 1 91 LEU H 1 108 LEU CB . 20.200 28.200 25.396 24.700 26.237 . 0 0 "[ . 1 . 2]" 1
313 1 92 VAL H 1 108 LEU CB . 18.700 26.700 24.405 23.856 25.075 . 0 0 "[ . 1 . 2]" 1
314 1 94 GLY H 1 96 SER CB . . 12.000 5.738 5.517 5.889 . 0 0 "[ . 1 . 2]" 1
315 1 94 GLY H 1 108 LEU CB . 19.600 27.600 20.955 20.290 21.678 . 0 0 "[ . 1 . 2]" 1
316 1 95 LEU H 1 108 LEU CB . 18.500 26.500 19.683 19.119 20.494 . 0 0 "[ . 1 . 2]" 1
317 1 96 SER CB 1 100 ILE H . . 12.000 5.096 4.880 5.239 . 0 0 "[ . 1 . 2]" 1
318 1 96 SER CB 1 101 LEU H . . 12.000 7.283 6.988 7.531 . 0 0 "[ . 1 . 2]" 1
319 1 96 SER CB 1 102 ARG H . . 12.000 8.743 8.555 8.858 . 0 0 "[ . 1 . 2]" 1
320 1 96 SER CB 1 103 LEU H . . 12.000 9.666 9.445 9.875 . 0 0 "[ . 1 . 2]" 1
321 1 96 SER CB 1 105 LEU H . 9.400 15.400 13.039 12.909 13.245 . 0 0 "[ . 1 . 2]" 1
322 1 96 SER CB 1 106 LEU H . 12.400 18.400 14.462 13.958 14.761 . 0 0 "[ . 1 . 2]" 1
323 1 96 SER CB 1 107 LEU H . 14.800 20.800 16.851 16.453 17.148 . 0 0 "[ . 1 . 2]" 1
324 1 96 SER CB 1 108 LEU H . 17.700 23.700 17.864 17.697 18.216 0.003 13 0 "[ . 1 . 2]" 1
325 1 96 SER H 1 108 LEU CB . 15.800 23.800 18.798 18.390 19.318 . 0 0 "[ . 1 . 2]" 1
326 1 97 LEU H 1 108 LEU CB . 16.700 24.700 17.199 16.700 17.624 . 10 0 "[ . 1 . 2]" 1
327 1 98 MET H 1 108 LEU CB . 13.500 21.500 15.111 14.609 15.684 . 0 0 "[ . 1 . 2]" 1
328 1 99 MET H 1 108 LEU CB . 13.400 21.400 14.326 13.909 14.821 . 0 0 "[ . 1 . 2]" 1
329 1 100 ILE H 1 108 LEU CB . . 14.600 13.597 13.175 14.156 . 0 0 "[ . 1 . 2]" 1
330 1 101 LEU H 1 108 LEU CB . 7.100 15.100 11.402 10.893 12.028 . 0 0 "[ . 1 . 2]" 1
331 1 102 ARG H 1 108 LEU CB . . 14.700 9.916 9.547 10.206 . 0 0 "[ . 1 . 2]" 1
332 1 103 LEU H 1 108 LEU CB . . 14.900 9.699 9.291 10.291 . 0 0 "[ . 1 . 2]" 1
333 1 105 LEU H 1 108 LEU CB . . 14.500 5.792 5.195 6.550 . 0 0 "[ . 1 . 2]" 1
334 1 106 LEU H 1 108 LEU CB . . 14.800 5.903 5.630 6.265 . 0 0 "[ . 1 . 2]" 1
335 1 107 LEU H 1 108 LEU CB . . 14.600 5.090 4.795 5.348 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 217
_Distance_constraint_stats_list.Viol_count 75
_Distance_constraint_stats_list.Viol_total 428.724
_Distance_constraint_stats_list.Viol_max 1.007
_Distance_constraint_stats_list.Viol_rms 0.0663
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0049
_Distance_constraint_stats_list.Viol_average_violations_only 0.2858
_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 11 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ALA 0.002 0.002 5 0 "[ . 1 . 2]"
1 20 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 PHE 0.001 0.001 13 0 "[ . 1 . 2]"
1 24 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ILE 0.011 0.007 7 0 "[ . 1 . 2]"
1 27 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 TYR 21.052 1.007 11 19 [-********1+*********]
1 30 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 SER 0.059 0.017 12 0 "[ . 1 . 2]"
1 57 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 ILE 0.011 0.009 20 0 "[ . 1 . 2]"
1 76 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 SER 0.312 0.037 3 0 "[ . 1 . 2]"
1 84 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 MET 0.001 0.001 6 0 "[ . 1 . 2]"
1 89 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 GLY 0.013 0.006 17 0 "[ . 1 . 2]"
1 95 LEU 0.010 0.006 2 0 "[ . 1 . 2]"
1 96 SER 0.041 0.017 12 0 "[ . 1 . 2]"
1 97 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 MET 19.019 1.007 11 19 [*******-*1+*********]
1 99 MET 0.188 0.037 3 0 "[ . 1 . 2]"
1 100 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 LEU 2.143 0.556 19 2 "[- . 1 . +2]"
1 102 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 LEU 0.011 0.007 7 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 11 ASP H 1 29 TYR CB . 21.700 . 25.916 23.055 28.888 . 0 0 "[ . 1 . 2]" 2
2 1 11 ASP H 1 46 CYS CB . 27.500 . 36.331 31.557 40.593 . 0 0 "[ . 1 . 2]" 2
3 1 11 ASP H 1 56 SER CB . 23.700 . 50.769 45.648 54.958 . 0 0 "[ . 1 . 2]" 2
4 1 11 ASP H 1 65 SER CB . 25.000 . 39.473 33.624 45.883 . 0 0 "[ . 1 . 2]" 2
5 1 11 ASP H 1 83 SER CB . 25.000 . 34.347 25.004 43.694 . 0 0 "[ . 1 . 2]" 2
6 1 11 ASP H 1 96 SER CB . 24.300 . 33.080 26.116 40.508 . 0 0 "[ . 1 . 2]" 2
7 1 12 LEU H 1 29 TYR CB . 25.000 . 26.795 25.103 28.155 . 0 0 "[ . 1 . 2]" 2
8 1 12 LEU H 1 46 CYS CB . 25.000 . 37.350 32.151 41.228 . 0 0 "[ . 1 . 2]" 2
9 1 12 LEU H 1 56 SER CB . 25.000 . 51.625 45.253 56.828 . 0 0 "[ . 1 . 2]" 2
10 1 12 LEU H 1 65 SER CB . 24.400 . 40.408 32.674 46.141 . 0 0 "[ . 1 . 2]" 2
11 1 12 LEU H 1 83 SER CB . 25.000 . 36.110 25.001 43.074 . 0 0 "[ . 1 . 2]" 2
12 1 12 LEU H 1 96 SER CB . 24.300 . 33.887 25.194 40.195 . 0 0 "[ . 1 . 2]" 2
13 1 12 LEU H 1 108 LEU CB . 24.400 . 37.921 25.759 42.489 . 0 0 "[ . 1 . 2]" 2
14 1 13 ILE H 1 29 TYR CB . 21.800 . 25.033 23.319 26.943 . 0 0 "[ . 1 . 2]" 2
15 1 13 ILE H 1 46 CYS CB . 25.000 . 35.857 32.418 38.699 . 0 0 "[ . 1 . 2]" 2
16 1 13 ILE H 1 56 SER CB . 25.000 . 49.986 46.564 54.101 . 0 0 "[ . 1 . 2]" 2
17 1 13 ILE H 1 65 SER CB . 25.000 . 39.156 33.864 43.750 . 0 0 "[ . 1 . 2]" 2
18 1 13 ILE H 1 83 SER CB . 25.000 . 36.493 27.099 43.407 . 0 0 "[ . 1 . 2]" 2
19 1 13 ILE H 1 96 SER CB . 25.000 . 32.917 27.115 37.743 . 0 0 "[ . 1 . 2]" 2
20 1 13 ILE H 1 108 LEU CB . 24.600 . 35.758 27.328 39.075 . 0 0 "[ . 1 . 2]" 2
21 1 14 GLY H 1 29 TYR CB . 21.400 . 24.159 21.591 25.563 . 0 0 "[ . 1 . 2]" 2
22 1 14 GLY H 1 46 CYS CB . 25.300 . 35.492 31.429 37.006 . 0 0 "[ . 1 . 2]" 2
23 1 14 GLY H 1 56 SER CB . 25.000 . 49.447 43.368 51.093 . 0 0 "[ . 1 . 2]" 2
24 1 14 GLY H 1 65 SER CB . 20.400 . 39.198 34.661 41.991 . 0 0 "[ . 1 . 2]" 2
25 1 14 GLY H 1 83 SER CB . 25.000 . 37.915 29.391 42.312 . 0 0 "[ . 1 . 2]" 2
26 1 14 GLY H 1 96 SER CB . 27.700 . 33.352 28.684 37.032 . 0 0 "[ . 1 . 2]" 2
27 1 14 GLY H 1 108 LEU CB . 22.200 . 34.870 25.097 37.196 . 0 0 "[ . 1 . 2]" 2
28 1 15 PHE H 1 29 TYR CB . 20.200 . 23.172 21.570 23.566 . 0 0 "[ . 1 . 2]" 2
29 1 15 PHE H 1 46 CYS CB . 25.000 . 33.596 32.572 35.107 . 0 0 "[ . 1 . 2]" 2
30 1 15 PHE H 1 56 SER CB . 25.000 . 47.282 44.722 49.252 . 0 0 "[ . 1 . 2]" 2
31 1 15 PHE H 1 65 SER CB . 25.000 . 36.875 34.382 39.580 . 0 0 "[ . 1 . 2]" 2
32 1 15 PHE H 1 83 SER CB . 25.000 . 36.740 31.894 45.041 . 0 0 "[ . 1 . 2]" 2
33 1 15 PHE H 1 96 SER CB . 28.100 . 30.923 28.142 34.228 . 0 0 "[ . 1 . 2]" 2
34 1 15 PHE H 1 108 LEU CB . 23.600 . 32.045 27.306 34.018 . 0 0 "[ . 1 . 2]" 2
35 1 16 GLY H 1 46 CYS CB . 25.000 . 32.237 31.233 33.636 . 0 0 "[ . 1 . 2]" 2
36 1 16 GLY H 1 56 SER CB . 25.000 . 45.680 43.141 47.413 . 0 0 "[ . 1 . 2]" 2
37 1 16 GLY H 1 65 SER CB . 25.000 . 35.714 34.229 38.134 . 0 0 "[ . 1 . 2]" 2
38 1 16 GLY H 1 83 SER CB . 25.000 . 37.023 33.028 44.795 . 0 0 "[ . 1 . 2]" 2
39 1 16 GLY H 1 96 SER CB . 26.900 . 30.128 28.238 34.621 . 0 0 "[ . 1 . 2]" 2
40 1 16 GLY H 1 108 LEU CB . 22.300 . 30.166 27.629 32.023 . 0 0 "[ . 1 . 2]" 2
41 1 17 TYR H 1 46 CYS CB . 25.000 . 32.048 31.309 33.257 . 0 0 "[ . 1 . 2]" 2
42 1 17 TYR H 1 56 SER CB . 25.000 . 45.614 43.485 47.185 . 0 0 "[ . 1 . 2]" 2
43 1 17 TYR H 1 65 SER CB . 25.000 . 36.320 34.712 38.586 . 0 0 "[ . 1 . 2]" 2
44 1 17 TYR H 1 83 SER CB . 25.000 . 38.011 31.261 41.892 . 0 0 "[ . 1 . 2]" 2
45 1 17 TYR H 1 96 SER CB . 27.500 . 31.312 29.408 34.235 . 0 0 "[ . 1 . 2]" 2
46 1 17 TYR H 1 108 LEU CB . 25.000 . 30.706 27.774 32.655 . 0 0 "[ . 1 . 2]" 2
47 1 18 ALA H 1 46 CYS CB . 25.000 . 30.178 28.667 31.482 . 0 0 "[ . 1 . 2]" 2
48 1 18 ALA H 1 56 SER CB . 25.000 . 44.091 41.181 45.901 . 0 0 "[ . 1 . 2]" 2
49 1 18 ALA H 1 65 SER CB . 25.000 . 34.583 31.791 36.943 . 0 0 "[ . 1 . 2]" 2
50 1 18 ALA H 1 83 SER CB . 25.000 . 35.770 29.146 40.565 . 0 0 "[ . 1 . 2]" 2
51 1 18 ALA H 1 96 SER CB . 25.000 . 29.660 26.566 32.602 . 0 0 "[ . 1 . 2]" 2
52 1 18 ALA H 1 108 LEU CB . 20.100 . 30.004 24.913 31.453 . 0 0 "[ . 1 . 2]" 2
53 1 19 ALA H 1 46 CYS CB . 24.300 . 28.208 27.436 29.410 . 0 0 "[ . 1 . 2]" 2
54 1 19 ALA H 1 56 SER CB . 25.000 . 41.947 40.014 43.587 . 0 0 "[ . 1 . 2]" 2
55 1 19 ALA H 1 65 SER CB . 25.000 . 32.554 31.023 34.607 . 0 0 "[ . 1 . 2]" 2
56 1 19 ALA H 1 83 SER CB . 25.000 . 34.949 30.897 41.333 . 0 0 "[ . 1 . 2]" 2
57 1 19 ALA H 1 96 SER CB . 26.200 . 27.833 26.198 31.336 0.002 5 0 "[ . 1 . 2]" 2
58 1 20 LEU H 1 46 CYS CB . 24.600 . 27.852 27.390 28.802 . 0 0 "[ . 1 . 2]" 2
59 1 20 LEU H 1 56 SER CB . 25.000 . 41.420 39.364 43.104 . 0 0 "[ . 1 . 2]" 2
60 1 20 LEU H 1 65 SER CB . 25.000 . 32.801 31.966 34.537 . 0 0 "[ . 1 . 2]" 2
61 1 20 LEU H 1 83 SER CB . 25.000 . 36.271 31.131 39.796 . 0 0 "[ . 1 . 2]" 2
62 1 20 LEU H 1 96 SER CB . 24.500 . 28.685 27.685 30.912 . 0 0 "[ . 1 . 2]" 2
63 1 20 LEU H 1 108 LEU CB . 20.700 . 27.274 25.462 29.833 . 0 0 "[ . 1 . 2]" 2
64 1 21 VAL H 1 56 SER CB . 25.000 . 41.030 39.464 42.488 . 0 0 "[ . 1 . 2]" 2
65 1 21 VAL H 1 65 SER CB . 24.900 . 32.825 30.572 34.660 . 0 0 "[ . 1 . 2]" 2
66 1 21 VAL H 1 83 SER CB . 25.000 . 36.161 29.017 38.938 . 0 0 "[ . 1 . 2]" 2
67 1 21 VAL H 1 96 SER CB . 25.000 . 29.166 26.645 31.634 . 0 0 "[ . 1 . 2]" 2
68 1 21 VAL H 1 108 LEU CB . 20.900 . 27.899 25.197 29.463 . 0 0 "[ . 1 . 2]" 2
69 1 22 THR H 1 56 SER CB . 25.000 . 38.985 37.220 40.429 . 0 0 "[ . 1 . 2]" 2
70 1 22 THR H 1 83 SER CB . 25.000 . 33.877 28.693 37.378 . 0 0 "[ . 1 . 2]" 2
71 1 22 THR H 1 96 SER CB . 24.300 . 26.912 24.658 29.051 . 0 0 "[ . 1 . 2]" 2
72 1 22 THR H 1 108 LEU CB . 21.300 . 26.391 23.516 27.489 . 0 0 "[ . 1 . 2]" 2
73 1 23 PHE H 1 56 SER CB . 25.000 . 37.088 35.141 39.059 . 0 0 "[ . 1 . 2]" 2
74 1 23 PHE H 1 65 SER CB . 25.000 . 28.959 28.268 31.451 . 0 0 "[ . 1 . 2]" 2
75 1 23 PHE H 1 83 SER CB . 25.000 . 34.067 31.593 38.694 . 0 0 "[ . 1 . 2]" 2
76 1 23 PHE H 1 96 SER CB . 25.000 . 25.761 24.999 29.908 0.001 13 0 "[ . 1 . 2]" 2
77 1 23 PHE H 1 108 LEU CB . 22.100 . 24.019 22.477 25.910 . 0 0 "[ . 1 . 2]" 2
78 1 24 GLY H 1 56 SER CB . 25.000 . 36.967 35.183 39.316 . 0 0 "[ . 1 . 2]" 2
79 1 24 GLY H 1 65 SER CB . 25.000 . 29.892 29.249 30.707 . 0 0 "[ . 1 . 2]" 2
80 1 24 GLY H 1 83 SER CB . 25.000 . 35.850 31.400 38.068 . 0 0 "[ . 1 . 2]" 2
81 1 24 GLY H 1 96 SER CB . 25.000 . 27.442 25.885 28.601 . 0 0 "[ . 1 . 2]" 2
82 1 24 GLY H 1 108 LEU CB . 20.500 . 24.479 23.130 27.668 . 0 0 "[ . 1 . 2]" 2
83 1 25 SER H 1 56 SER CB . 25.000 . 36.637 35.041 37.958 . 0 0 "[ . 1 . 2]" 2
84 1 25 SER H 1 65 SER CB . 25.000 . 29.841 27.683 30.413 . 0 0 "[ . 1 . 2]" 2
85 1 25 SER H 1 83 SER CB . 25.000 . 35.229 29.272 37.211 . 0 0 "[ . 1 . 2]" 2
86 1 25 SER H 1 96 SER CB . 24.500 . 27.803 25.881 28.871 . 0 0 "[ . 1 . 2]" 2
87 1 26 ILE H 1 56 SER CB . 25.000 . 34.259 33.344 35.616 . 0 0 "[ . 1 . 2]" 2
88 1 26 ILE H 1 83 SER CB . 25.000 . 33.005 29.823 35.323 . 0 0 "[ . 1 . 2]" 2
89 1 26 ILE H 1 108 LEU CB . 23.200 . 23.619 23.193 24.648 0.007 7 0 "[ . 1 . 2]" 2
90 1 27 PHE H 1 65 SER CB . 24.400 . 26.679 25.330 29.270 . 0 0 "[ . 1 . 2]" 2
91 1 27 PHE H 1 83 SER CB . 25.000 . 34.384 32.385 35.730 . 0 0 "[ . 1 . 2]" 2
92 1 28 GLY H 1 56 SER CB . 25.000 . 32.913 31.342 35.361 . 0 0 "[ . 1 . 2]" 2
93 1 28 GLY H 1 83 SER CB . 25.000 . 35.279 32.023 36.807 . 0 0 "[ . 1 . 2]" 2
94 1 29 TYR H 1 56 SER CB . 25.000 . 31.439 29.877 32.936 . 0 0 "[ . 1 . 2]" 2
95 1 29 TYR CB 1 57 ASN H . 25.000 . 30.456 28.730 32.143 . 0 0 "[ . 1 . 2]" 2
96 1 29 TYR CB 1 58 ASP H . 25.000 . 31.108 29.066 33.463 . 0 0 "[ . 1 . 2]" 2
97 1 29 TYR CB 1 59 LYS H . 25.000 . 31.122 27.882 32.680 . 0 0 "[ . 1 . 2]" 2
98 1 29 TYR CB 1 60 ARG H . 25.000 . 29.859 27.497 33.061 . 0 0 "[ . 1 . 2]" 2
99 1 29 TYR CB 1 61 ASP H . 25.000 . 28.909 25.471 33.122 . 0 0 "[ . 1 . 2]" 2
100 1 29 TYR CB 1 62 VAL H . 22.600 . 27.698 25.230 30.179 . 0 0 "[ . 1 . 2]" 2
101 1 29 TYR CB 1 63 LYS H . 25.000 . 29.512 28.700 30.333 . 0 0 "[ . 1 . 2]" 2
102 1 29 TYR CB 1 64 VAL H . 23.800 . 28.314 27.545 29.291 . 0 0 "[ . 1 . 2]" 2
103 1 29 TYR CB 1 65 SER H . 22.500 . 25.964 25.339 26.870 . 0 0 "[ . 1 . 2]" 2
104 1 29 TYR H 1 65 SER CB . 24.200 . 25.993 24.559 26.588 . 0 0 "[ . 1 . 2]" 2
105 1 29 TYR CB 1 66 LEU H . 22.400 . 27.807 27.116 28.799 . 0 0 "[ . 1 . 2]" 2
106 1 29 TYR CB 1 67 PHE H . 25.000 . 28.603 27.765 29.768 . 0 0 "[ . 1 . 2]" 2
107 1 29 TYR CB 1 68 THR H . 25.000 . 26.626 25.691 27.838 . 0 0 "[ . 1 . 2]" 2
108 1 29 TYR CB 1 69 ALA H . 25.000 . 26.241 25.237 27.376 . 0 0 "[ . 1 . 2]" 2
109 1 29 TYR CB 1 70 PHE H . 25.000 . 28.577 27.530 29.767 . 0 0 "[ . 1 . 2]" 2
110 1 29 TYR CB 1 71 PHE H . 25.000 . 28.920 27.744 30.358 . 0 0 "[ . 1 . 2]" 2
111 1 29 TYR CB 1 72 LEU H . 24.800 . 27.043 25.643 28.592 . 0 0 "[ . 1 . 2]" 2
112 1 29 TYR CB 1 73 ALA H . 25.000 . 27.812 26.254 29.390 . 0 0 "[ . 1 . 2]" 2
113 1 29 TYR CB 1 74 THR H . 25.000 . 30.389 28.837 32.031 . 0 0 "[ . 1 . 2]" 2
114 1 29 TYR CB 1 75 ILE H . 25.000 . 29.486 27.710 31.203 . 0 0 "[ . 1 . 2]" 2
115 1 29 TYR CB 1 76 MET H . 25.000 . 29.121 27.038 30.851 . 0 0 "[ . 1 . 2]" 2
116 1 29 TYR CB 1 77 GLY H . 25.000 . 31.000 27.934 32.611 . 0 0 "[ . 1 . 2]" 2
117 1 29 TYR CB 1 78 VAL H . 25.000 . 32.887 27.698 36.188 . 0 0 "[ . 1 . 2]" 2
118 1 29 TYR CB 1 79 ARG H . 22.400 . 33.856 27.807 36.549 . 0 0 "[ . 1 . 2]" 2
119 1 29 TYR CB 1 80 PHE H . 23.700 . 33.118 27.375 36.726 . 0 0 "[ . 1 . 2]" 2
120 1 29 TYR CB 1 81 LYS H . 23.300 . 32.670 26.370 36.970 . 0 0 "[ . 1 . 2]" 2
121 1 29 TYR CB 1 82 ARG H . 25.000 . 33.275 26.798 35.603 . 0 0 "[ . 1 . 2]" 2
122 1 29 TYR CB 1 83 SER H . 25.000 . 32.847 28.950 34.624 . 0 0 "[ . 1 . 2]" 2
123 1 29 TYR H 1 83 SER CB . 25.000 . 33.702 31.421 34.995 . 0 0 "[ . 1 . 2]" 2
124 1 29 TYR CB 1 84 LYS H . 25.000 . 33.355 29.077 35.814 . 0 0 "[ . 1 . 2]" 2
125 1 29 TYR CB 1 85 LYS H . 25.000 . 31.620 28.132 35.886 . 0 0 "[ . 1 . 2]" 2
126 1 29 TYR CB 1 86 ILE H . 25.000 . 29.626 25.316 36.472 . 0 0 "[ . 1 . 2]" 2
127 1 29 TYR CB 1 87 MET H . 25.000 . 28.082 24.999 33.677 0.001 6 0 "[ . 1 . 2]" 2
128 1 29 TYR CB 1 90 GLY H . 22.100 . 25.150 24.467 26.152 . 0 0 "[ . 1 . 2]" 2
129 1 29 TYR CB 1 91 LEU H . 22.500 . 23.926 22.629 24.787 . 0 0 "[ . 1 . 2]" 2
130 1 29 TYR CB 1 93 ALA H . 23.400 . 24.490 24.057 25.075 . 0 0 "[ . 1 . 2]" 2
131 1 29 TYR CB 1 94 GLY H . 22.100 . 22.406 22.094 22.833 0.006 17 0 "[ . 1 . 2]" 2
132 1 29 TYR CB 1 98 MET H . 22.400 . 21.449 21.393 21.903 1.007 11 19 [*******-*1+*********] 2
133 1 29 TYR CB 1 99 MET H . 23.400 . 23.638 23.396 23.924 0.004 3 0 "[ . 1 . 2]" 2
134 1 29 TYR CB 1 100 ILE H . 22.200 . 24.586 23.834 25.543 . 0 0 "[ . 1 . 2]" 2
135 1 29 TYR CB 1 101 LEU H . 22.100 . 22.382 21.544 23.748 0.556 19 2 "[- . 1 . +2]" 2
136 1 29 TYR CB 1 102 ARG H . 22.900 . 23.185 22.916 23.706 . 0 0 "[ . 1 . 2]" 2
137 1 29 TYR CB 1 103 LEU H . 24.700 . 25.279 24.702 26.050 . 0 0 "[ . 1 . 2]" 2
138 1 29 TYR CB 1 105 LEU H . 21.500 . 23.659 23.002 24.753 . 0 0 "[ . 1 . 2]" 2
139 1 29 TYR CB 1 106 LEU H . 20.400 . 25.872 25.341 26.388 . 0 0 "[ . 1 . 2]" 2
140 1 29 TYR CB 1 107 LEU H . 23.500 . 26.955 26.233 27.326 . 0 0 "[ . 1 . 2]" 2
141 1 30 LYS H 1 56 SER CB . 25.000 . 32.191 30.329 34.041 . 0 0 "[ . 1 . 2]" 2
142 1 30 LYS H 1 65 SER CB . 24.500 . 26.312 24.988 27.567 . 0 0 "[ . 1 . 2]" 2
143 1 30 LYS H 1 83 SER CB . 25.000 . 32.167 29.809 33.883 . 0 0 "[ . 1 . 2]" 2
144 1 31 ARG H 1 56 SER CB . 22.800 . 32.640 30.801 34.861 . 0 0 "[ . 1 . 2]" 2
145 1 31 ARG H 1 83 SER CB . 25.000 . 30.792 27.243 33.802 . 0 0 "[ . 1 . 2]" 2
146 1 31 ARG H 1 108 LEU CB . 21.400 . 26.918 24.038 30.652 . 0 0 "[ . 1 . 2]" 2
147 1 32 ARG H 1 56 SER CB . 23.600 . 32.726 29.453 35.844 . 0 0 "[ . 1 . 2]" 2
148 1 32 ARG H 1 83 SER CB . 25.000 . 28.332 25.277 30.479 . 0 0 "[ . 1 . 2]" 2
149 1 33 GLY H 1 56 SER CB . 24.400 . 32.067 29.394 34.739 . 0 0 "[ . 1 . 2]" 2
150 1 33 GLY H 1 83 SER CB . 22.300 . 25.451 22.311 27.981 . 0 0 "[ . 1 . 2]" 2
151 1 34 GLY H 1 56 SER CB . 25.000 . 31.419 28.646 34.213 . 0 0 "[ . 1 . 2]" 2
152 1 35 VAL H 1 56 SER CB . 25.000 . 31.183 28.857 32.987 . 0 0 "[ . 1 . 2]" 2
153 1 35 VAL H 1 108 LEU CB . 22.500 . 27.788 25.491 29.409 . 0 0 "[ . 1 . 2]" 2
154 1 37 SER H 1 56 SER CB . 25.000 . 27.792 25.038 29.309 . 0 0 "[ . 1 . 2]" 2
155 1 37 SER H 1 108 LEU CB . 24.400 . 26.707 25.301 28.283 . 0 0 "[ . 1 . 2]" 2
156 1 38 LEU H 1 56 SER CB . 25.000 . 27.311 26.164 28.006 . 0 0 "[ . 1 . 2]" 2
157 1 38 LEU H 1 108 LEU CB . 23.800 . 24.977 23.989 26.395 . 0 0 "[ . 1 . 2]" 2
158 1 40 ALA H 1 108 LEU CB . 22.400 . 24.242 23.584 25.257 . 0 0 "[ . 1 . 2]" 2
159 1 45 GLY H 1 83 SER CB . 22.400 . 23.208 22.402 24.480 . 0 0 "[ . 1 . 2]" 2
160 1 48 ALA H 1 83 SER CB . 25.000 . 27.200 26.369 28.701 . 0 0 "[ . 1 . 2]" 2
161 1 49 GLY H 1 83 SER CB . 25.000 . 27.802 26.852 28.851 . 0 0 "[ . 1 . 2]" 2
162 1 50 TYR H 1 83 SER CB . 25.000 . 30.222 29.300 31.192 . 0 0 "[ . 1 . 2]" 2
163 1 51 GLY H 1 83 SER CB . 25.000 . 31.543 30.769 32.727 . 0 0 "[ . 1 . 2]" 2
164 1 52 ALA H 1 83 SER CB . 25.000 . 31.812 31.259 33.221 . 0 0 "[ . 1 . 2]" 2
165 1 53 TYR H 1 83 SER CB . 25.000 . 33.631 32.672 34.788 . 0 0 "[ . 1 . 2]" 2
166 1 55 VAL H 1 83 SER CB . 25.000 . 36.504 35.540 37.658 . 0 0 "[ . 1 . 2]" 2
167 1 56 SER CB 1 75 ILE H . 22.400 . 23.381 22.391 24.567 0.009 20 0 "[ . 1 . 2]" 2
168 1 56 SER CB 1 77 GLY H . 25.000 . 27.554 26.561 28.915 . 0 0 "[ . 1 . 2]" 2
169 1 56 SER CB 1 78 VAL H . 22.800 . 30.050 27.504 32.591 . 0 0 "[ . 1 . 2]" 2
170 1 56 SER CB 1 79 ARG H . 22.300 . 30.847 28.283 33.333 . 0 0 "[ . 1 . 2]" 2
171 1 56 SER CB 1 80 PHE H . 25.000 . 31.240 28.505 35.071 . 0 0 "[ . 1 . 2]" 2
172 1 56 SER CB 1 81 LYS H . 25.000 . 33.054 30.537 34.723 . 0 0 "[ . 1 . 2]" 2
173 1 56 SER H 1 83 SER CB . 25.000 . 37.413 35.648 39.387 . 0 0 "[ . 1 . 2]" 2
174 1 56 SER CB 1 86 ILE H . 25.000 . 36.505 32.594 40.519 . 0 0 "[ . 1 . 2]" 2
175 1 56 SER CB 1 87 MET H . 25.000 . 34.344 31.647 37.394 . 0 0 "[ . 1 . 2]" 2
176 1 56 SER CB 1 89 ALA H . 25.000 . 32.468 31.305 33.443 . 0 0 "[ . 1 . 2]" 2
177 1 56 SER CB 1 90 GLY H . 25.000 . 31.566 30.898 32.169 . 0 0 "[ . 1 . 2]" 2
178 1 56 SER CB 1 91 LEU H . 25.000 . 28.689 27.908 29.353 . 0 0 "[ . 1 . 2]" 2
179 1 56 SER CB 1 92 VAL H . 25.000 . 27.808 26.947 28.624 . 0 0 "[ . 1 . 2]" 2
180 1 56 SER CB 1 93 ALA H . 25.000 . 28.252 27.910 28.823 . 0 0 "[ . 1 . 2]" 2
181 1 56 SER CB 1 94 GLY H . 25.000 . 26.253 25.781 26.971 . 0 0 "[ . 1 . 2]" 2
182 1 56 SER CB 1 95 LEU H . 23.600 . 23.899 23.594 24.429 0.006 2 0 "[ . 1 . 2]" 2
183 1 56 SER CB 1 96 SER H . 24.300 . 24.630 24.283 25.632 0.017 12 0 "[ . 1 . 2]" 2
184 1 56 SER CB 1 97 LEU H . 23.200 . 25.276 24.814 26.187 . 0 0 "[ . 1 . 2]" 2
185 1 56 SER CB 1 98 MET H . 21.700 . 22.590 21.997 23.574 . 0 0 "[ . 1 . 2]" 2
186 1 57 ASN H 1 83 SER CB . 25.000 . 37.066 35.000 39.791 . 0 0 "[ . 1 . 2]" 2
187 1 58 ASP H 1 83 SER CB . 25.000 . 35.968 33.373 38.737 . 0 0 "[ . 1 . 2]" 2
188 1 59 LYS H 1 83 SER CB . 25.000 . 34.985 31.713 38.747 . 0 0 "[ . 1 . 2]" 2
189 1 60 ARG H 1 83 SER CB . 25.000 . 32.873 30.930 35.666 . 0 0 "[ . 1 . 2]" 2
190 1 61 ASP H 1 83 SER CB . 25.000 . 31.801 29.255 33.228 . 0 0 "[ . 1 . 2]" 2
191 1 62 VAL H 1 83 SER CB . 25.000 . 29.062 27.369 30.493 . 0 0 "[ . 1 . 2]" 2
192 1 63 LYS H 1 83 SER CB . 25.000 . 28.622 27.652 29.437 . 0 0 "[ . 1 . 2]" 2
193 1 64 VAL H 1 83 SER CB . 25.000 . 28.085 27.369 28.592 . 0 0 "[ . 1 . 2]" 2
194 1 71 PHE H 1 108 LEU CB . 21.700 . 24.803 24.441 25.315 . 0 0 "[ . 1 . 2]" 2
195 1 72 LEU H 1 108 LEU CB . 21.500 . 25.007 24.740 25.210 . 0 0 "[ . 1 . 2]" 2
196 1 73 ALA H 1 108 LEU CB . 21.100 . 26.272 25.971 26.718 . 0 0 "[ . 1 . 2]" 2
197 1 74 THR H 1 108 LEU CB . 25.000 . 28.529 27.996 28.885 . 0 0 "[ . 1 . 2]" 2
198 1 76 MET H 1 108 LEU CB . 25.000 . 30.343 30.101 30.630 . 0 0 "[ . 1 . 2]" 2
199 1 77 GLY H 1 108 LEU CB . 25.000 . 31.921 31.198 32.707 . 0 0 "[ . 1 . 2]" 2
200 1 78 VAL H 1 108 LEU CB . 25.000 . 33.581 32.023 35.627 . 0 0 "[ . 1 . 2]" 2
201 1 79 ARG H 1 108 LEU CB . 22.600 . 33.394 30.761 35.041 . 0 0 "[ . 1 . 2]" 2
202 1 80 PHE H 1 108 LEU CB . 23.200 . 32.444 29.623 35.762 . 0 0 "[ . 1 . 2]" 2
203 1 83 SER CB 1 99 MET H . 22.100 . 22.127 22.063 22.289 0.037 3 0 "[ . 1 . 2]" 2
204 1 83 SER CB 1 100 ILE H . 22.600 . 23.216 22.918 23.458 . 0 0 "[ . 1 . 2]" 2
205 1 83 SER CB 1 101 LEU H . 24.900 . 24.902 24.870 24.954 0.030 4 0 "[ . 1 . 2]" 2
206 1 83 SER CB 1 102 ARG H . 25.000 . 26.473 26.332 26.681 . 0 0 "[ . 1 . 2]" 2
207 1 83 SER CB 1 103 LEU H . 25.000 . 27.773 27.530 27.964 . 0 0 "[ . 1 . 2]" 2
208 1 83 SER CB 1 104 VAL H . 25.000 . 29.875 29.675 30.202 . 0 0 "[ . 1 . 2]" 2
209 1 83 SER CB 1 105 LEU H . 25.000 . 30.904 30.705 31.102 . 0 0 "[ . 1 . 2]" 2
210 1 83 SER CB 1 106 LEU H . 25.000 . 32.430 31.997 32.768 . 0 0 "[ . 1 . 2]" 2
211 1 83 SER CB 1 107 LEU H . 25.000 . 34.940 34.531 35.308 . 0 0 "[ . 1 . 2]" 2
212 1 83 SER CB 1 108 LEU H . 25.000 . 35.707 35.433 35.976 . 0 0 "[ . 1 . 2]" 2
213 1 86 ILE H 1 108 LEU CB . 23.200 . 33.245 29.306 36.591 . 0 0 "[ . 1 . 2]" 2
214 1 87 MET H 1 108 LEU CB . 23.700 . 31.399 28.350 34.807 . 0 0 "[ . 1 . 2]" 2
215 1 89 ALA H 1 108 LEU CB . 25.000 . 28.997 28.424 29.574 . 0 0 "[ . 1 . 2]" 2
216 1 90 GLY H 1 108 LEU CB . 22.400 . 26.991 26.312 27.607 . 0 0 "[ . 1 . 2]" 2
217 1 93 ALA H 1 108 LEU CB . 20.100 . 22.888 22.266 23.358 . 0 0 "[ . 1 . 2]" 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 88
_Distance_constraint_stats_list.Viol_count 1635
_Distance_constraint_stats_list.Viol_total 6527.285
_Distance_constraint_stats_list.Viol_max 1.457
_Distance_constraint_stats_list.Viol_rms 0.1541
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1854
_Distance_constraint_stats_list.Viol_average_violations_only 0.1996
_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 17 TYR 6.893 0.250 4 0 "[ . 1 . 2]"
1 18 ALA 8.348 0.309 18 0 "[ . 1 . 2]"
1 19 ALA 8.724 0.293 11 0 "[ . 1 . 2]"
1 20 LEU 7.191 0.302 12 0 "[ . 1 . 2]"
1 21 VAL 9.863 0.250 4 0 "[ . 1 . 2]"
1 22 THR 10.662 0.309 18 0 "[ . 1 . 2]"
1 23 PHE 16.858 0.331 16 0 "[ . 1 . 2]"
1 24 GLY 15.455 0.302 12 0 "[ . 1 . 2]"
1 25 SER 2.970 0.232 7 0 "[ . 1 . 2]"
1 26 ILE 2.315 0.302 7 0 "[ . 1 . 2]"
1 27 PHE 8.134 0.331 16 0 "[ . 1 . 2]"
1 28 GLY 8.264 0.257 18 0 "[ . 1 . 2]"
1 37 SER 8.942 0.272 20 0 "[ . 1 . 2]"
1 38 LEU 5.972 0.227 15 0 "[ . 1 . 2]"
1 39 ILE 5.704 0.248 1 0 "[ . 1 . 2]"
1 40 ALA 9.369 0.304 19 0 "[ . 1 . 2]"
1 41 GLY 17.015 0.284 4 0 "[ . 1 . 2]"
1 42 LEU 10.278 0.243 15 0 "[ . 1 . 2]"
1 43 PHE 11.770 0.297 16 0 "[ . 1 . 2]"
1 44 VAL 15.745 0.304 19 0 "[ . 1 . 2]"
1 45 GLY 15.918 0.307 2 0 "[ . 1 . 2]"
1 46 CYS 8.262 0.262 15 0 "[ . 1 . 2]"
1 47 LEU 11.697 0.309 20 0 "[ . 1 . 2]"
1 48 ALA 9.274 0.287 7 0 "[ . 1 . 2]"
1 49 GLY 14.894 0.307 2 0 "[ . 1 . 2]"
1 50 TYR 3.956 0.262 15 0 "[ . 1 . 2]"
1 51 GLY 5.630 0.309 20 0 "[ . 1 . 2]"
1 52 ALA 2.898 0.287 7 0 "[ . 1 . 2]"
1 53 TYR 7.049 0.272 15 0 "[ . 1 . 2]"
1 62 VAL 37.469 1.457 19 18 "[****.***** *-*****+*]"
1 63 LYS 8.938 0.251 15 0 "[ . 1 . 2]"
1 64 VAL 5.185 0.228 20 0 "[ . 1 . 2]"
1 65 SER 6.006 0.257 5 0 "[ . 1 . 2]"
1 66 LEU 46.705 1.457 19 18 "[****.***** *-*****+*]"
1 67 PHE 18.664 0.302 7 0 "[ . 1 . 2]"
1 68 THR 10.604 0.281 4 0 "[ . 1 . 2]"
1 69 ALA 12.940 0.291 19 0 "[ . 1 . 2]"
1 70 PHE 15.844 0.303 10 0 "[ . 1 . 2]"
1 71 PHE 14.549 0.302 7 0 "[ . 1 . 2]"
1 72 LEU 10.452 0.281 4 0 "[ . 1 . 2]"
1 73 ALA 8.951 0.378 8 0 "[ . 1 . 2]"
1 74 THR 6.608 0.281 7 0 "[ . 1 . 2]"
1 75 ILE 4.823 0.218 10 0 "[ . 1 . 2]"
1 76 MET 5.034 0.223 8 0 "[ . 1 . 2]"
1 77 GLY 2.016 0.378 8 0 "[ . 1 . 2]"
1 89 ALA 8.625 0.275 3 0 "[ . 1 . 2]"
1 90 GLY 5.089 0.228 12 0 "[ . 1 . 2]"
1 91 LEU 7.980 0.304 11 0 "[ . 1 . 2]"
1 92 VAL 9.885 0.312 17 0 "[ . 1 . 2]"
1 93 ALA 18.390 0.305 14 0 "[ . 1 . 2]"
1 94 GLY 12.215 0.294 19 0 "[ . 1 . 2]"
1 95 LEU 16.873 0.308 20 0 "[ . 1 . 2]"
1 96 SER 17.649 0.312 17 0 "[ . 1 . 2]"
1 97 LEU 18.289 0.305 14 0 "[ . 1 . 2]"
1 98 MET 11.440 0.294 19 0 "[ . 1 . 2]"
1 99 MET 14.873 0.308 20 0 "[ . 1 . 2]"
1 100 ILE 7.765 0.282 1 0 "[ . 1 . 2]"
1 101 LEU 8.525 0.303 12 0 "[ . 1 . 2]"
1 102 ARG 4.314 0.209 12 0 "[ . 1 . 2]"
1 103 LEU 5.980 0.225 15 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 24 GLY O 1 28 GLY H . . 1.800 2.034 2.024 2.057 0.257 18 0 "[ . 1 . 2]" 3
2 1 24 GLY O 1 28 GLY N . . 2.700 2.879 2.814 2.905 0.205 11 0 "[ . 1 . 2]" 3
3 1 23 PHE O 1 27 PHE H . . 1.800 1.987 1.794 2.131 0.331 16 0 "[ . 1 . 2]" 3
4 1 23 PHE O 1 27 PHE N . . 2.700 2.920 2.760 3.023 0.323 16 0 "[ . 1 . 2]" 3
5 1 22 THR O 1 26 ILE H . . 1.800 1.826 1.770 2.033 0.233 16 0 "[ . 1 . 2]" 3
6 1 22 THR O 1 26 ILE N . . 2.700 2.777 2.695 3.002 0.302 7 0 "[ . 1 . 2]" 3
7 1 21 VAL O 1 25 SER H . . 1.800 1.884 1.772 2.004 0.204 7 0 "[ . 1 . 2]" 3
8 1 21 VAL O 1 25 SER N . . 2.700 2.757 2.683 2.932 0.232 7 0 "[ . 1 . 2]" 3
9 1 20 LEU O 1 24 GLY H . . 1.800 1.947 1.838 2.024 0.224 19 0 "[ . 1 . 2]" 3
10 1 20 LEU O 1 24 GLY N . . 2.700 2.912 2.724 3.002 0.302 12 0 "[ . 1 . 2]" 3
11 1 19 ALA O 1 23 PHE H . . 1.800 1.992 1.932 2.013 0.213 6 0 "[ . 1 . 2]" 3
12 1 19 ALA O 1 23 PHE N . . 2.700 2.945 2.823 2.993 0.293 11 0 "[ . 1 . 2]" 3
13 1 18 ALA O 1 22 THR H . . 1.800 1.980 1.809 2.019 0.219 19 0 "[ . 1 . 2]" 3
14 1 18 ALA O 1 22 THR N . . 2.700 2.937 2.748 3.009 0.309 18 0 "[ . 1 . 2]" 3
15 1 17 TYR O 1 21 VAL H . . 1.800 1.953 1.810 2.009 0.209 14 0 "[ . 1 . 2]" 3
16 1 17 TYR O 1 21 VAL N . . 2.700 2.891 2.734 2.950 0.250 4 0 "[ . 1 . 2]" 3
17 1 49 GLY O 1 53 TYR H . . 1.800 2.004 1.864 2.072 0.272 15 0 "[ . 1 . 2]" 3
18 1 49 GLY O 1 53 TYR N . . 2.700 2.849 2.709 2.930 0.230 19 0 "[ . 1 . 2]" 3
19 1 48 ALA O 1 52 ALA H . . 1.800 1.837 1.768 2.005 0.205 12 0 "[ . 1 . 2]" 3
20 1 48 ALA O 1 52 ALA N . . 2.700 2.800 2.684 2.987 0.287 7 0 "[ . 1 . 2]" 3
21 1 47 LEU O 1 51 GLY H . . 1.800 1.990 1.896 2.029 0.229 20 0 "[ . 1 . 2]" 3
22 1 47 LEU O 1 51 GLY N . . 2.700 2.789 2.677 3.009 0.309 20 0 "[ . 1 . 2]" 3
23 1 46 CYS O 1 50 TYR H . . 1.800 1.997 1.793 2.062 0.262 15 0 "[ . 1 . 2]" 3
24 1 46 CYS O 1 50 TYR N . . 2.700 2.653 2.578 2.702 0.002 1 0 "[ . 1 . 2]" 3
25 1 45 GLY O 1 49 GLY H . . 1.800 1.975 1.783 2.018 0.218 15 0 "[ . 1 . 2]" 3
26 1 45 GLY O 1 49 GLY N . . 2.700 2.916 2.706 3.007 0.307 2 0 "[ . 1 . 2]" 3
27 1 44 VAL O 1 48 ALA H . . 1.800 1.934 1.797 2.017 0.217 19 0 "[ . 1 . 2]" 3
28 1 44 VAL O 1 48 ALA N . . 2.700 2.884 2.736 2.979 0.279 7 0 "[ . 1 . 2]" 3
29 1 43 PHE O 1 47 LEU H . . 1.800 1.920 1.795 2.032 0.232 14 0 "[ . 1 . 2]" 3
30 1 43 PHE O 1 47 LEU N . . 2.700 2.882 2.766 2.997 0.297 16 0 "[ . 1 . 2]" 3
31 1 42 LEU O 1 46 CYS H . . 1.800 1.899 1.788 2.001 0.201 4 0 "[ . 1 . 2]" 3
32 1 42 LEU O 1 46 CYS N . . 2.700 2.814 2.695 2.943 0.243 15 0 "[ . 1 . 2]" 3
33 1 41 GLY O 1 45 GLY H . . 1.800 2.005 1.958 2.020 0.220 14 0 "[ . 1 . 2]" 3
34 1 41 GLY O 1 45 GLY N . . 2.700 2.899 2.741 2.984 0.284 4 0 "[ . 1 . 2]" 3
35 1 40 ALA O 1 44 VAL H . . 1.800 1.998 1.949 2.015 0.215 14 0 "[ . 1 . 2]" 3
36 1 40 ALA O 1 44 VAL N . . 2.700 2.971 2.914 3.004 0.304 19 0 "[ . 1 . 2]" 3
37 1 39 ILE O 1 43 PHE H . . 1.800 1.926 1.799 2.008 0.208 20 0 "[ . 1 . 2]" 3
38 1 39 ILE O 1 43 PHE N . . 2.700 2.860 2.724 2.948 0.248 1 0 "[ . 1 . 2]" 3
39 1 38 LEU O 1 42 LEU H . . 1.800 2.014 1.972 2.027 0.227 15 0 "[ . 1 . 2]" 3
40 1 38 LEU O 1 42 LEU N . . 2.700 2.784 2.720 2.824 0.124 4 0 "[ . 1 . 2]" 3
41 1 37 SER O 1 41 GLY H . . 1.800 2.039 2.024 2.072 0.272 20 0 "[ . 1 . 2]" 3
42 1 37 SER O 1 41 GLY N . . 2.700 2.908 2.885 2.963 0.263 20 0 "[ . 1 . 2]" 3
43 1 73 ALA O 1 77 GLY H . . 1.800 1.749 1.536 2.178 0.378 8 0 "[ . 1 . 2]" 3
44 1 73 ALA O 1 77 GLY N . . 2.700 2.633 2.472 3.054 0.354 8 0 "[ . 1 . 2]" 3
45 1 72 LEU O 1 76 MET H . . 1.800 1.978 1.914 2.023 0.223 8 0 "[ . 1 . 2]" 3
46 1 72 LEU O 1 76 MET N . . 2.700 2.774 2.696 2.875 0.175 11 0 "[ . 1 . 2]" 3
47 1 71 PHE O 1 75 ILE H . . 1.800 1.976 1.891 2.012 0.212 10 0 "[ . 1 . 2]" 3
48 1 71 PHE O 1 75 ILE N . . 2.700 2.765 2.693 2.918 0.218 10 0 "[ . 1 . 2]" 3
49 1 70 PHE O 1 74 THR H . . 1.800 1.929 1.799 2.001 0.201 6 0 "[ . 1 . 2]" 3
50 1 70 PHE O 1 74 THR N . . 2.700 2.901 2.732 2.981 0.281 7 0 "[ . 1 . 2]" 3
51 1 69 ALA O 1 73 ALA H . . 1.800 1.941 1.791 2.017 0.217 10 0 "[ . 1 . 2]" 3
52 1 69 ALA O 1 73 ALA N . . 2.700 2.905 2.779 2.991 0.291 19 0 "[ . 1 . 2]" 3
53 1 68 THR O 1 72 LEU H . . 1.800 1.923 1.801 2.007 0.207 4 0 "[ . 1 . 2]" 3
54 1 68 THR O 1 72 LEU N . . 2.700 2.847 2.697 2.981 0.281 4 0 "[ . 1 . 2]" 3
55 1 67 PHE O 1 71 PHE H . . 1.800 2.013 2.003 2.022 0.222 15 0 "[ . 1 . 2]" 3
56 1 67 PHE O 1 71 PHE N . . 2.700 2.974 2.930 3.002 0.302 7 0 "[ . 1 . 2]" 3
57 1 66 LEU O 1 70 PHE H . . 1.800 2.012 2.003 2.034 0.234 19 0 "[ . 1 . 2]" 3
58 1 66 LEU O 1 70 PHE N . . 2.700 2.949 2.875 3.003 0.303 10 0 "[ . 1 . 2]" 3
59 1 65 SER O 1 69 ALA H . . 1.800 1.929 1.843 2.007 0.207 5 0 "[ . 1 . 2]" 3
60 1 65 SER O 1 69 ALA N . . 2.700 2.872 2.787 2.957 0.257 5 0 "[ . 1 . 2]" 3
61 1 64 VAL O 1 68 THR H . . 1.800 2.009 1.969 2.028 0.228 20 0 "[ . 1 . 2]" 3
62 1 64 VAL O 1 68 THR N . . 2.700 2.749 2.684 2.794 0.094 7 0 "[ . 1 . 2]" 3
63 1 63 LYS O 1 67 PHE H . . 1.800 2.035 2.027 2.051 0.251 15 0 "[ . 1 . 2]" 3
64 1 63 LYS O 1 67 PHE N . . 2.700 2.912 2.888 2.932 0.232 12 0 "[ . 1 . 2]" 3
65 1 62 VAL O 1 66 LEU H . . 1.800 2.724 1.832 3.208 1.408 19 17 "[****.***** * **-**+*]" 3
66 1 62 VAL O 1 66 LEU N . . 2.700 3.649 2.760 4.157 1.457 19 18 "[****.***** *-*****+*]" 3
67 1 99 MET O 1 103 LEU H . . 1.800 2.005 1.975 2.025 0.225 15 0 "[ . 1 . 2]" 3
68 1 99 MET O 1 103 LEU N . . 2.700 2.794 2.744 2.847 0.147 6 0 "[ . 1 . 2]" 3
69 1 98 MET O 1 102 ARG H . . 1.800 1.964 1.904 2.009 0.209 12 0 "[ . 1 . 2]" 3
70 1 98 MET O 1 102 ARG N . . 2.700 2.751 2.697 2.836 0.136 14 0 "[ . 1 . 2]" 3
71 1 97 LEU O 1 101 LEU H . . 1.800 1.971 1.856 2.023 0.223 4 0 "[ . 1 . 2]" 3
72 1 97 LEU O 1 101 LEU N . . 2.700 2.955 2.856 3.003 0.303 12 0 "[ . 1 . 2]" 3
73 1 96 SER O 1 100 ILE H . . 1.800 1.967 1.806 2.014 0.214 13 0 "[ . 1 . 2]" 3
74 1 96 SER O 1 100 ILE N . . 2.700 2.921 2.779 2.982 0.282 1 0 "[ . 1 . 2]" 3
75 1 95 LEU O 1 99 MET H . . 1.800 1.992 1.854 2.022 0.222 17 0 "[ . 1 . 2]" 3
76 1 95 LEU O 1 99 MET N . . 2.700 2.953 2.809 3.008 0.308 20 0 "[ . 1 . 2]" 3
77 1 94 GLY O 1 98 MET H . . 1.800 1.951 1.793 2.020 0.220 19 0 "[ . 1 . 2]" 3
78 1 94 GLY O 1 98 MET N . . 2.700 2.905 2.772 2.994 0.294 19 0 "[ . 1 . 2]" 3
79 1 93 ALA O 1 97 LEU H . . 1.800 2.004 1.918 2.028 0.228 11 0 "[ . 1 . 2]" 3
80 1 93 ALA O 1 97 LEU N . . 2.700 2.984 2.883 3.005 0.305 14 0 "[ . 1 . 2]" 3
81 1 92 VAL O 1 96 SER H . . 1.800 2.012 1.994 2.034 0.234 4 0 "[ . 1 . 2]" 3
82 1 92 VAL O 1 96 SER N . . 2.700 2.982 2.934 3.012 0.312 17 0 "[ . 1 . 2]" 3
83 1 91 LEU O 1 95 LEU H . . 1.800 1.976 1.811 2.041 0.241 11 0 "[ . 1 . 2]" 3
84 1 91 LEU O 1 95 LEU N . . 2.700 2.923 2.774 3.004 0.304 11 0 "[ . 1 . 2]" 3
85 1 90 GLY O 1 94 GLY H . . 1.800 1.990 1.893 2.028 0.228 12 0 "[ . 1 . 2]" 3
86 1 90 GLY O 1 94 GLY N . . 2.700 2.760 2.668 2.809 0.109 12 0 "[ . 1 . 2]" 3
87 1 89 ALA O 1 93 ALA H . . 1.800 2.025 1.911 2.056 0.256 20 0 "[ . 1 . 2]" 3
88 1 89 ALA O 1 93 ALA N . . 2.700 2.906 2.782 2.975 0.275 3 0 "[ . 1 . 2]" 3
stop_
save_