NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
540392 |
2lon   |
18218 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lon
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 407
_Distance_constraint_stats_list.Viol_count 165
_Distance_constraint_stats_list.Viol_total 28.243
_Distance_constraint_stats_list.Viol_max 0.050
_Distance_constraint_stats_list.Viol_rms 0.0019
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0086
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ASP 0.000 0.000 6 0 "[ . 1 . 2]"
1 16 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 LEU 0.014 0.002 15 0 "[ . 1 . 2]"
1 22 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 THR 0.015 0.007 3 0 "[ . 1 . 2]"
1 26 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 SER 0.193 0.031 19 0 "[ . 1 . 2]"
1 30 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ILE 0.162 0.020 9 0 "[ . 1 . 2]"
1 34 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 LEU 0.092 0.017 8 0 "[ . 1 . 2]"
1 36 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 GLY 0.098 0.031 19 0 "[ . 1 . 2]"
1 38 CYS 0.585 0.050 12 0 "[ . 1 . 2]"
1 39 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 VAL 0.008 0.003 11 0 "[ . 1 . 2]"
1 41 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ALA 0.266 0.030 10 0 "[ . 1 . 2]"
1 44 TYR 0.029 0.013 19 0 "[ . 1 . 2]"
1 45 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ARG 0.016 0.009 17 0 "[ . 1 . 2]"
1 49 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 SER 0.005 0.003 16 0 "[ . 1 . 2]"
1 52 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 THR 0.000 0.000 17 0 "[ . 1 . 2]"
1 56 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 SER 0.005 0.003 10 0 "[ . 1 . 2]"
1 59 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ILE 0.009 0.005 10 0 "[ . 1 . 2]"
1 63 HIS 0.002 0.002 6 0 "[ . 1 . 2]"
1 64 THR 0.002 0.001 3 0 "[ . 1 . 2]"
1 65 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ALA 0.006 0.004 2 0 "[ . 1 . 2]"
1 68 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ALA 0.069 0.026 13 0 "[ . 1 . 2]"
1 71 CYS 0.011 0.003 11 0 "[ . 1 . 2]"
1 72 ALA 0.009 0.005 10 0 "[ . 1 . 2]"
1 73 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 GLY 0.001 0.001 13 0 "[ . 1 . 2]"
1 75 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 ILE 0.012 0.006 17 0 "[ . 1 . 2]"
1 77 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ALA 0.009 0.006 15 0 "[ . 1 . 2]"
1 81 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 TYR 0.025 0.014 6 0 "[ . 1 . 2]"
1 83 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 SER 1.142 0.050 12 0 "[ . 1 . 2]"
1 87 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 LYS 0.016 0.008 17 0 "[ . 1 . 2]"
1 91 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 ALA 0.016 0.007 12 0 "[ . 1 . 2]"
1 94 GLN 0.007 0.004 5 0 "[ . 1 . 2]"
1 95 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 ALA 0.001 0.001 10 0 "[ . 1 . 2]"
1 97 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 SER H 1 28 SER CB . 25.000 . 40.011 29.279 52.613 . 0 0 "[ . 1 . 2]" 1
2 1 2 SER H 1 38 CYS CB . 25.000 . 41.615 33.761 49.115 . 0 0 "[ . 1 . 2]" 1
3 1 2 SER H 1 51 SER CB . 25.000 . 41.697 30.942 54.009 . 0 0 "[ . 1 . 2]" 1
4 1 2 SER H 1 58 SER CB . 25.000 . 34.683 25.312 47.539 . 0 0 "[ . 1 . 2]" 1
5 1 2 SER H 1 71 CYS CB . 25.000 . 31.640 25.317 38.126 . 0 0 "[ . 1 . 2]" 1
6 1 2 SER H 1 86 SER CB . 24.200 . 47.169 36.902 53.056 . 0 0 "[ . 1 . 2]" 1
7 1 3 ALA H 1 28 SER CB . 25.000 . 39.481 26.074 51.343 . 0 0 "[ . 1 . 2]" 1
8 1 3 ALA H 1 38 CYS CB . 25.000 . 41.067 31.150 48.371 . 0 0 "[ . 1 . 2]" 1
9 1 3 ALA H 1 51 SER CB . 25.000 . 41.309 32.467 52.024 . 0 0 "[ . 1 . 2]" 1
10 1 3 ALA H 1 58 SER CB . 25.000 . 34.124 26.359 45.414 . 0 0 "[ . 1 . 2]" 1
11 1 3 ALA H 1 71 CYS CB . 25.000 . 30.567 26.322 36.701 . 0 0 "[ . 1 . 2]" 1
12 1 3 ALA H 1 86 SER CB . 25.000 . 46.087 37.973 50.655 . 0 0 "[ . 1 . 2]" 1
13 1 4 ASN H 1 28 SER CB . 25.000 . 38.276 28.595 46.815 . 0 0 "[ . 1 . 2]" 1
14 1 4 ASN H 1 38 CYS CB . 25.000 . 39.720 34.123 45.369 . 0 0 "[ . 1 . 2]" 1
15 1 4 ASN H 1 51 SER CB . 25.000 . 40.237 32.983 50.149 . 0 0 "[ . 1 . 2]" 1
16 1 4 ASN H 1 58 SER CB . 25.000 . 32.953 26.203 43.692 . 0 0 "[ . 1 . 2]" 1
17 1 4 ASN H 1 71 CYS CB . 24.600 . 28.816 25.487 34.383 . 0 0 "[ . 1 . 2]" 1
18 1 4 ASN H 1 86 SER CB . 25.000 . 44.289 35.765 47.604 . 0 0 "[ . 1 . 2]" 1
19 1 5 ARG H 1 28 SER CB . 25.000 . 36.838 27.941 45.373 . 0 0 "[ . 1 . 2]" 1
20 1 5 ARG H 1 38 CYS CB . 25.000 . 38.313 31.794 41.993 . 0 0 "[ . 1 . 2]" 1
21 1 5 ARG H 1 51 SER CB . 25.000 . 39.390 34.424 47.276 . 0 0 "[ . 1 . 2]" 1
22 1 5 ARG H 1 58 SER CB . 25.000 . 32.176 26.689 41.010 . 0 0 "[ . 1 . 2]" 1
23 1 5 ARG H 1 71 CYS CB . 25.000 . 27.285 25.001 31.003 . 0 0 "[ . 1 . 2]" 1
24 1 5 ARG H 1 86 SER CB . 25.000 . 42.475 37.409 46.349 . 0 0 "[ . 1 . 2]" 1
25 1 6 ARG H 1 28 SER CB . 25.000 . 34.667 25.810 41.606 . 0 0 "[ . 1 . 2]" 1
26 1 6 ARG H 1 38 CYS CB . 25.000 . 36.308 30.330 40.911 . 0 0 "[ . 1 . 2]" 1
27 1 6 ARG H 1 51 SER CB . 25.000 . 38.257 32.591 45.405 . 0 0 "[ . 1 . 2]" 1
28 1 6 ARG H 1 58 SER CB . 25.000 . 31.235 25.837 39.312 . 0 0 "[ . 1 . 2]" 1
29 1 6 ARG H 1 71 CYS CB . 22.700 . 25.424 22.748 29.066 . 0 0 "[ . 1 . 2]" 1
30 1 6 ARG H 1 86 SER CB . 25.000 . 40.077 34.361 43.324 . 0 0 "[ . 1 . 2]" 1
31 1 7 TRP H 1 28 SER CB . 25.000 . 33.321 27.308 40.545 . 0 0 "[ . 1 . 2]" 1
32 1 7 TRP H 1 38 CYS CB . 25.000 . 34.749 30.699 38.703 . 0 0 "[ . 1 . 2]" 1
33 1 7 TRP H 1 51 SER CB . 25.000 . 37.140 32.814 41.829 . 0 0 "[ . 1 . 2]" 1
34 1 7 TRP H 1 58 SER CB . 25.000 . 30.228 26.556 36.182 . 0 0 "[ . 1 . 2]" 1
35 1 7 TRP H 1 71 CYS CB . 22.200 . 23.629 22.207 25.506 . 0 0 "[ . 1 . 2]" 1
36 1 7 TRP H 1 86 SER CB . 25.000 . 38.034 35.334 40.478 . 0 0 "[ . 1 . 2]" 1
37 1 8 TRP H 1 28 SER CB . 25.000 . 31.730 26.181 38.072 . 0 0 "[ . 1 . 2]" 1
38 1 8 TRP H 1 58 SER CB . 25.000 . 28.166 25.023 32.468 . 0 0 "[ . 1 . 2]" 1
39 1 8 TRP H 1 71 CYS CB . 14.400 22.400 20.875 18.595 22.339 . 0 0 "[ . 1 . 2]" 1
40 1 9 VAL H 1 28 SER CB . 24.700 . 30.066 25.506 35.393 . 0 0 "[ . 1 . 2]" 1
41 1 9 VAL H 1 51 SER CB . 25.000 . 35.126 31.408 38.513 . 0 0 "[ . 1 . 2]" 1
42 1 9 VAL H 1 58 SER CB . 25.000 . 28.710 25.960 32.531 . 0 0 "[ . 1 . 2]" 1
43 1 9 VAL H 1 71 CYS CB . 14.200 22.200 20.152 17.194 21.967 . 0 0 "[ . 1 . 2]" 1
44 1 9 VAL H 1 86 SER CB . 25.000 . 33.215 29.988 36.039 . 0 0 "[ . 1 . 2]" 1
45 1 12 ASP H 1 28 SER CB . 20.400 28.400 26.649 24.808 28.208 . 0 0 "[ . 1 . 2]" 1
46 1 12 ASP H 1 38 CYS CB . 25.000 . 28.044 26.299 29.529 . 0 0 "[ . 1 . 2]" 1
47 1 12 ASP H 1 51 SER CB . 25.000 . 35.210 33.001 38.441 . 0 0 "[ . 1 . 2]" 1
48 1 12 ASP H 1 58 SER CB . 25.000 . 30.017 26.482 33.813 . 0 0 "[ . 1 . 2]" 1
49 1 12 ASP H 1 71 CYS CB . 17.100 25.100 18.577 17.106 21.999 . 0 0 "[ . 1 . 2]" 1
50 1 12 ASP H 1 86 SER CB . 23.300 . 26.718 23.373 29.019 . 0 0 "[ . 1 . 2]" 1
51 1 13 ASP H 1 28 SER CB . 25.000 . 26.092 25.056 27.516 . 0 0 "[ . 1 . 2]" 1
52 1 13 ASP H 1 38 CYS CB . 19.100 27.100 26.707 25.630 27.099 . 0 0 "[ . 1 . 2]" 1
53 1 13 ASP H 1 51 SER CB . 25.000 . 34.341 31.851 37.198 . 0 0 "[ . 1 . 2]" 1
54 1 13 ASP H 1 58 SER CB . 25.000 . 29.674 26.318 33.183 . 0 0 "[ . 1 . 2]" 1
55 1 13 ASP H 1 86 SER CB . 17.500 25.500 24.142 19.140 25.414 . 0 0 "[ . 1 . 2]" 1
56 1 14 GLU H 1 28 SER CB . 25.000 . 26.343 25.004 28.541 . 0 0 "[ . 1 . 2]" 1
57 1 14 GLU H 1 38 CYS CB . 25.000 . 26.735 25.006 29.078 . 0 0 "[ . 1 . 2]" 1
58 1 14 GLU H 1 51 SER CB . 25.000 . 34.831 31.472 37.327 . 0 0 "[ . 1 . 2]" 1
59 1 14 GLU H 1 58 SER CB . 25.000 . 30.517 27.151 34.463 . 0 0 "[ . 1 . 2]" 1
60 1 14 GLU H 1 86 SER CB . 18.400 26.400 22.928 20.596 25.638 . 0 0 "[ . 1 . 2]" 1
61 1 15 ASP H 1 38 CYS CB . 16.900 24.900 24.182 22.559 24.900 . 6 0 "[ . 1 . 2]" 1
62 1 15 ASP H 1 51 SER CB . 25.000 . 33.487 31.925 35.762 . 0 0 "[ . 1 . 2]" 1
63 1 15 ASP H 1 58 SER CB . 25.000 . 29.788 26.362 32.343 . 0 0 "[ . 1 . 2]" 1
64 1 16 CYS H 1 38 CYS CB . 17.300 25.300 22.574 20.829 24.612 . 0 0 "[ . 1 . 2]" 1
65 1 16 CYS H 1 51 SER CB . 25.000 . 34.119 31.846 36.915 . 0 0 "[ . 1 . 2]" 1
66 1 16 CYS H 1 58 SER CB . 25.000 . 31.221 28.534 34.223 . 0 0 "[ . 1 . 2]" 1
67 1 16 CYS H 1 71 CYS CB . 12.200 20.200 17.908 15.726 19.990 . 0 0 "[ . 1 . 2]" 1
68 1 16 CYS H 1 86 SER CB . 14.600 22.600 17.697 16.501 18.684 . 0 0 "[ . 1 . 2]" 1
69 1 17 VAL H 1 28 SER CB . 18.600 26.600 19.181 18.602 20.216 . 0 0 "[ . 1 . 2]" 1
70 1 17 VAL H 1 38 CYS CB . 15.700 23.700 21.549 20.656 22.957 . 0 0 "[ . 1 . 2]" 1
71 1 17 VAL H 1 51 SER CB . 25.000 . 34.773 32.578 37.090 . 0 0 "[ . 1 . 2]" 1
72 1 17 VAL H 1 58 SER CB . 25.000 . 32.310 29.790 34.729 . 0 0 "[ . 1 . 2]" 1
73 1 17 VAL H 1 71 CYS CB . 17.700 25.700 18.944 17.702 20.678 . 0 0 "[ . 1 . 2]" 1
74 1 17 VAL H 1 86 SER CB . 9.100 17.100 16.633 15.539 17.099 . 0 0 "[ . 1 . 2]" 1
75 1 18 SER H 1 28 SER CB . 13.100 21.100 18.571 17.211 19.405 . 0 0 "[ . 1 . 2]" 1
76 1 18 SER H 1 38 CYS CB . 18.200 26.200 22.484 21.374 24.025 . 0 0 "[ . 1 . 2]" 1
77 1 18 SER H 1 51 SER CB . 25.000 . 36.558 34.286 38.756 . 0 0 "[ . 1 . 2]" 1
78 1 18 SER H 1 58 SER CB . 25.000 . 34.123 31.930 36.357 . 0 0 "[ . 1 . 2]" 1
79 1 18 SER H 1 71 CYS CB . 18.500 26.500 20.819 19.365 22.485 . 0 0 "[ . 1 . 2]" 1
80 1 18 SER H 1 86 SER CB . 12.200 20.200 17.559 16.242 19.174 . 0 0 "[ . 1 . 2]" 1
81 1 19 GLU H 1 28 SER CB . 16.400 24.400 19.202 17.465 19.887 . 0 0 "[ . 1 . 2]" 1
82 1 19 GLU H 1 38 CYS CB . 19.800 27.800 25.418 24.397 26.439 . 0 0 "[ . 1 . 2]" 1
83 1 19 GLU H 1 51 SER CB . 25.000 . 39.608 37.515 42.930 . 0 0 "[ . 1 . 2]" 1
84 1 19 GLU H 1 58 SER CB . 25.000 . 36.650 34.344 40.143 . 0 0 "[ . 1 . 2]" 1
85 1 20 LYS H 1 28 SER CB . 14.100 22.100 18.230 17.186 19.054 . 0 0 "[ . 1 . 2]" 1
86 1 20 LYS H 1 51 SER CB . 25.000 . 37.819 35.604 41.791 . 0 0 "[ . 1 . 2]" 1
87 1 20 LYS H 1 58 SER CB . 25.000 . 34.669 32.429 38.730 . 0 0 "[ . 1 . 2]" 1
88 1 20 LYS H 1 71 CYS CB . 19.800 27.800 21.856 19.825 24.875 . 0 0 "[ . 1 . 2]" 1
89 1 20 LYS H 1 86 SER CB . 16.100 24.100 21.699 20.893 22.440 . 0 0 "[ . 1 . 2]" 1
90 1 21 LEU H 1 28 SER CB . 9.900 17.900 16.398 15.674 17.325 . 0 0 "[ . 1 . 2]" 1
91 1 21 LEU H 1 38 CYS CB . 14.100 22.100 21.370 19.905 22.100 . 0 0 "[ . 1 . 2]" 1
92 1 21 LEU H 1 51 SER CB . 25.000 . 35.265 33.161 39.004 . 0 0 "[ . 1 . 2]" 1
93 1 21 LEU H 1 58 SER CB . 25.000 . 32.424 31.089 35.989 . 0 0 "[ . 1 . 2]" 1
94 1 21 LEU H 1 86 SER CB . 19.700 27.700 19.703 19.698 19.720 0.002 15 0 "[ . 1 . 2]" 1
95 1 22 LEU H 1 38 CYS CB . 16.700 24.700 21.116 19.716 22.657 . 0 0 "[ . 1 . 2]" 1
96 1 22 LEU H 1 51 SER CB . 25.000 . 36.440 34.053 39.549 . 0 0 "[ . 1 . 2]" 1
97 1 22 LEU H 1 58 SER CB . 25.000 . 34.094 32.339 36.966 . 0 0 "[ . 1 . 2]" 1
98 1 22 LEU H 1 71 CYS CB . 19.100 27.100 21.239 19.444 23.452 . 0 0 "[ . 1 . 2]" 1
99 1 23 ARG H 1 38 CYS CB . 16.600 24.600 22.178 20.394 23.047 . 0 0 "[ . 1 . 2]" 1
100 1 23 ARG H 1 51 SER CB . 25.000 . 37.901 35.482 41.474 . 0 0 "[ . 1 . 2]" 1
101 1 23 ARG H 1 58 SER CB . 25.000 . 35.469 33.361 38.781 . 0 0 "[ . 1 . 2]" 1
102 1 24 LYS H 1 38 CYS CB . 13.700 21.700 20.626 18.340 21.681 . 0 0 "[ . 1 . 2]" 1
103 1 24 LYS H 1 51 SER CB . 25.000 . 35.954 33.084 40.097 . 0 0 "[ . 1 . 2]" 1
104 1 24 LYS H 1 58 SER CB . 25.000 . 33.477 31.036 37.250 . 0 0 "[ . 1 . 2]" 1
105 1 25 THR H 1 28 SER CB . 10.400 18.400 10.658 10.393 11.596 0.007 3 0 "[ . 1 . 2]" 1
106 1 25 THR H 1 38 CYS CB . 12.600 20.600 18.145 16.301 20.493 . 0 0 "[ . 1 . 2]" 1
107 1 25 THR H 1 51 SER CB . 25.000 . 34.550 31.877 37.742 . 0 0 "[ . 1 . 2]" 1
108 1 25 THR H 1 58 SER CB . 25.000 . 32.714 30.574 35.199 . 0 0 "[ . 1 . 2]" 1
109 1 26 ARG H 1 38 CYS CB . 11.700 19.700 17.062 14.412 19.197 . 0 0 "[ . 1 . 2]" 1
110 1 26 ARG H 1 51 SER CB . 25.000 . 35.216 31.101 39.274 . 0 0 "[ . 1 . 2]" 1
111 1 26 ARG H 1 58 SER CB . 24.400 . 34.168 30.346 37.253 . 0 0 "[ . 1 . 2]" 1
112 1 26 ARG H 1 86 SER CB . 18.400 26.400 19.169 18.423 20.405 . 0 0 "[ . 1 . 2]" 1
113 1 27 GLU H 1 38 CYS CB . 12.600 20.600 17.586 15.861 19.733 . 0 0 "[ . 1 . 2]" 1
114 1 27 GLU H 1 51 SER CB . 25.000 . 36.823 34.259 39.494 . 0 0 "[ . 1 . 2]" 1
115 1 27 GLU H 1 58 SER CB . 25.000 . 36.323 34.051 39.147 . 0 0 "[ . 1 . 2]" 1
116 1 28 SER CB 1 31 VAL H . 4.800 12.800 7.434 6.701 7.732 . 0 0 "[ . 1 . 2]" 1
117 1 28 SER CB 1 34 GLY H . 7.300 15.300 8.200 7.672 8.924 . 0 0 "[ . 1 . 2]" 1
118 1 28 SER CB 1 37 GLY H . 11.200 19.200 11.290 11.169 11.692 0.031 19 0 "[ . 1 . 2]" 1
119 1 28 SER CB 1 38 CYS H . 12.300 20.300 13.380 13.086 14.054 . 0 0 "[ . 1 . 2]" 1
120 1 28 SER H 1 38 CYS CB . 9.400 17.400 16.908 15.669 17.423 0.023 19 0 "[ . 1 . 2]" 1
121 1 28 SER CB 1 39 LEU H . 11.300 19.300 15.320 14.581 16.168 . 0 0 "[ . 1 . 2]" 1
122 1 28 SER CB 1 40 VAL H . 13.700 21.700 16.057 15.593 16.705 . 0 0 "[ . 1 . 2]" 1
123 1 28 SER CB 1 41 VAL H . 16.200 24.200 16.889 16.592 17.271 . 0 0 "[ . 1 . 2]" 1
124 1 28 SER CB 1 43 ALA H . 18.400 26.400 20.326 19.810 20.920 . 0 0 "[ . 1 . 2]" 1
125 1 28 SER CB 1 49 LEU H . 25.000 . 28.839 28.447 29.279 . 0 0 "[ . 1 . 2]" 1
126 1 28 SER CB 1 50 ARG H . 25.000 . 30.590 30.230 31.002 . 0 0 "[ . 1 . 2]" 1
127 1 28 SER CB 1 51 SER H . 25.000 . 34.526 32.172 35.468 . 0 0 "[ . 1 . 2]" 1
128 1 28 SER H 1 51 SER CB . 25.000 . 36.942 35.285 38.756 . 0 0 "[ . 1 . 2]" 1
129 1 28 SER CB 1 52 ARG H . 25.000 . 36.561 32.763 38.210 . 0 0 "[ . 1 . 2]" 1
130 1 28 SER CB 1 53 GLY H . 25.000 . 37.284 33.826 41.207 . 0 0 "[ . 1 . 2]" 1
131 1 28 SER CB 1 54 SER H . 25.000 . 38.320 35.914 40.533 . 0 0 "[ . 1 . 2]" 1
132 1 28 SER CB 1 55 THR H . 25.000 . 38.059 33.679 41.100 . 0 0 "[ . 1 . 2]" 1
133 1 28 SER CB 1 56 LYS H . 25.000 . 38.467 34.813 41.419 . 0 0 "[ . 1 . 2]" 1
134 1 28 SER CB 1 57 MET H . 25.000 . 37.820 33.489 40.391 . 0 0 "[ . 1 . 2]" 1
135 1 28 SER H 1 58 SER CB . 25.000 . 37.069 34.356 39.508 . 0 0 "[ . 1 . 2]" 1
136 1 28 SER CB 1 59 ILE H . 25.000 . 36.558 33.303 39.841 . 0 0 "[ . 1 . 2]" 1
137 1 28 SER CB 1 60 HIS H . 24.100 . 35.885 30.900 39.562 . 0 0 "[ . 1 . 2]" 1
138 1 28 SER CB 1 61 LEU H . 22.900 . 34.558 30.227 37.685 . 0 0 "[ . 1 . 2]" 1
139 1 28 SER CB 1 62 ILE H . 25.000 . 33.223 29.588 35.529 . 0 0 "[ . 1 . 2]" 1
140 1 28 SER CB 1 63 HIS H . 24.300 . 32.419 28.312 35.437 . 0 0 "[ . 1 . 2]" 1
141 1 28 SER CB 1 64 THR H . 25.000 . 31.219 28.498 33.938 . 0 0 "[ . 1 . 2]" 1
142 1 28 SER CB 1 65 ARG H . 25.000 . 29.388 27.533 31.162 . 0 0 "[ . 1 . 2]" 1
143 1 28 SER CB 1 66 VAL H . 25.000 . 27.740 26.504 29.507 . 0 0 "[ . 1 . 2]" 1
144 1 28 SER CB 1 67 ALA H . 22.700 . 27.518 26.104 28.575 . 0 0 "[ . 1 . 2]" 1
145 1 28 SER CB 1 68 ALA H . 23.500 . 27.711 26.632 28.545 . 0 0 "[ . 1 . 2]" 1
146 1 28 SER CB 1 69 GLN H . 22.200 . 25.343 24.255 26.437 . 0 0 "[ . 1 . 2]" 1
147 1 28 SER CB 1 70 ALA H . 18.100 26.100 23.274 21.951 24.392 . 0 0 "[ . 1 . 2]" 1
148 1 28 SER CB 1 71 CYS H . 17.600 25.600 24.078 22.760 24.843 . 0 0 "[ . 1 . 2]" 1
149 1 28 SER CB 1 72 ALA H . 16.200 24.200 23.701 22.517 24.205 0.005 10 0 "[ . 1 . 2]" 1
150 1 28 SER CB 1 73 VAL H . 14.800 22.800 20.925 19.645 21.638 . 0 0 "[ . 1 . 2]" 1
151 1 28 SER CB 1 74 GLY H . 14.200 22.200 20.240 18.636 21.175 . 0 0 "[ . 1 . 2]" 1
152 1 28 SER CB 1 75 ALA H . 14.700 22.700 21.213 19.777 22.302 . 0 0 "[ . 1 . 2]" 1
153 1 28 SER CB 1 76 ILE H . 12.700 20.700 19.898 18.595 20.706 0.006 17 0 "[ . 1 . 2]" 1
154 1 28 SER CB 1 77 MET H . 13.400 21.400 17.105 15.507 18.292 . 0 0 "[ . 1 . 2]" 1
155 1 28 SER CB 1 78 LEU H . 11.700 19.700 17.796 16.062 19.233 . 0 0 "[ . 1 . 2]" 1
156 1 28 SER CB 1 79 GLY H . 14.300 22.300 18.938 17.554 20.192 . 0 0 "[ . 1 . 2]" 1
157 1 28 SER CB 1 80 ALA H . 12.700 20.700 16.649 15.181 18.206 . 0 0 "[ . 1 . 2]" 1
158 1 28 SER CB 1 81 VAL H . 13.600 21.600 14.707 13.604 15.724 . 0 0 "[ . 1 . 2]" 1
159 1 28 SER CB 1 82 TYR H . 13.900 21.900 16.850 15.827 17.891 . 0 0 "[ . 1 . 2]" 1
160 1 28 SER CB 1 83 THR H . 11.900 19.900 17.391 16.076 18.876 . 0 0 "[ . 1 . 2]" 1
161 1 28 SER CB 1 84 MET H . 11.900 19.900 15.049 13.589 16.476 . 0 0 "[ . 1 . 2]" 1
162 1 28 SER CB 1 85 TYR H . 7.900 15.900 14.585 13.166 15.700 . 0 0 "[ . 1 . 2]" 1
163 1 28 SER CB 1 86 SER H . 11.900 19.900 17.293 16.145 18.709 . 0 0 "[ . 1 . 2]" 1
164 1 28 SER CB 1 87 ASP H . 12.000 20.000 17.639 16.228 19.068 . 0 0 "[ . 1 . 2]" 1
165 1 28 SER CB 1 88 TYR H . 9.400 17.400 16.401 15.205 17.258 . 0 0 "[ . 1 . 2]" 1
166 1 28 SER CB 1 89 VAL H . 11.900 19.900 18.849 17.975 19.858 . 0 0 "[ . 1 . 2]" 1
167 1 28 SER CB 1 90 LYS H . 13.600 21.600 21.146 20.151 21.603 0.003 10 0 "[ . 1 . 2]" 1
168 1 28 SER CB 1 91 ARG H . 16.600 24.600 22.823 21.457 23.487 . 0 0 "[ . 1 . 2]" 1
169 1 28 SER CB 1 92 MET H . 19.700 27.700 24.223 22.281 25.616 . 0 0 "[ . 1 . 2]" 1
170 1 28 SER CB 1 93 ALA H . 19.100 27.100 26.726 23.703 27.107 0.007 12 0 "[ . 1 . 2]" 1
171 1 28 SER CB 1 94 GLN H . 19.500 27.500 26.756 24.584 27.504 0.004 5 0 "[ . 1 . 2]" 1
172 1 28 SER CB 1 95 ASP H . 25.000 . 27.862 25.566 29.441 . 0 0 "[ . 1 . 2]" 1
173 1 28 SER CB 1 96 ALA H . 25.000 . 28.620 25.703 32.309 . 0 0 "[ . 1 . 2]" 1
174 1 28 SER CB 1 97 GLY H . 25.000 . 30.192 27.064 33.401 . 0 0 "[ . 1 . 2]" 1
175 1 28 SER CB 1 98 GLU H . 25.000 . 32.748 28.586 35.899 . 0 0 "[ . 1 . 2]" 1
176 1 28 SER CB 1 99 LYS H . 25.000 . 33.452 27.230 38.419 . 0 0 "[ . 1 . 2]" 1
177 1 30 LEU H 1 38 CYS CB . 9.500 17.500 11.653 11.213 12.385 . 0 0 "[ . 1 . 2]" 1
178 1 30 LEU H 1 51 SER CB . 25.000 . 32.965 31.713 34.892 . 0 0 "[ . 1 . 2]" 1
179 1 30 LEU H 1 58 SER CB . 25.000 . 34.448 32.975 35.744 . 0 0 "[ . 1 . 2]" 1
180 1 30 LEU H 1 86 SER CB . 12.500 20.500 13.884 13.170 15.311 . 0 0 "[ . 1 . 2]" 1
181 1 31 VAL H 1 51 SER CB . 25.000 . 32.012 30.660 33.779 . 0 0 "[ . 1 . 2]" 1
182 1 31 VAL H 1 58 SER CB . 25.000 . 33.947 32.462 35.233 . 0 0 "[ . 1 . 2]" 1
183 1 31 VAL H 1 86 SER CB . 10.800 18.800 14.238 13.687 15.354 . 0 0 "[ . 1 . 2]" 1
184 1 33 ILE H 1 38 CYS CB . 8.500 16.500 9.388 9.106 9.619 . 0 0 "[ . 1 . 2]" 1
185 1 33 ILE H 1 51 SER CB . 25.000 . 29.864 28.138 31.546 . 0 0 "[ . 1 . 2]" 1
186 1 33 ILE H 1 58 SER CB . 25.000 . 31.158 29.754 32.320 . 0 0 "[ . 1 . 2]" 1
187 1 33 ILE H 1 71 CYS CB . 14.900 22.900 21.957 21.093 22.368 . 0 0 "[ . 1 . 2]" 1
188 1 33 ILE H 1 86 SER CB . 9.100 17.100 17.098 16.900 17.120 0.020 9 0 "[ . 1 . 2]" 1
189 1 34 GLY H 1 51 SER CB . 25.000 . 28.093 26.594 29.800 . 0 0 "[ . 1 . 2]" 1
190 1 34 GLY H 1 58 SER CB . 25.000 . 29.656 28.258 30.904 . 0 0 "[ . 1 . 2]" 1
191 1 34 GLY H 1 71 CYS CB . 17.400 . 20.204 19.338 20.686 . 0 0 "[ . 1 . 2]" 1
192 1 34 GLY H 1 86 SER CB . 8.800 16.800 14.519 14.335 14.662 . 0 0 "[ . 1 . 2]" 1
193 1 35 LEU H 1 51 SER CB . 25.000 . 26.757 25.321 28.327 . 0 0 "[ . 1 . 2]" 1
194 1 35 LEU H 1 58 SER CB . 25.000 . 29.043 27.556 30.299 . 0 0 "[ . 1 . 2]" 1
195 1 35 LEU H 1 71 CYS CB . 14.200 22.200 20.563 19.759 20.970 . 0 0 "[ . 1 . 2]" 1
196 1 35 LEU H 1 86 SER CB . 7.100 15.100 15.078 14.964 15.117 0.017 8 0 "[ . 1 . 2]" 1
197 1 36 GLY H 1 51 SER CB . 19.400 27.400 25.401 23.604 27.049 . 0 0 "[ . 1 . 2]" 1
198 1 36 GLY H 1 71 CYS CB . 12.300 20.300 19.697 18.787 20.168 . 0 0 "[ . 1 . 2]" 1
199 1 36 GLY H 1 86 SER CB . 15.600 23.600 17.434 17.205 17.602 . 0 0 "[ . 1 . 2]" 1
200 1 37 GLY H 1 58 SER CB . 19.600 27.600 25.297 23.873 26.570 . 0 0 "[ . 1 . 2]" 1
201 1 37 GLY H 1 86 SER CB . 14.500 22.500 16.864 16.390 17.419 . 0 0 "[ . 1 . 2]" 1
202 1 38 CYS CB 1 44 TYR H . 7.600 15.600 8.935 8.529 9.193 . 0 0 "[ . 1 . 2]" 1
203 1 38 CYS CB 1 48 ARG H . 7.700 15.700 14.033 13.640 14.362 . 0 0 "[ . 1 . 2]" 1
204 1 38 CYS CB 1 49 LEU H . 8.200 16.200 14.924 14.708 15.255 . 0 0 "[ . 1 . 2]" 1
205 1 38 CYS CB 1 50 ARG H . 12.200 20.200 16.371 16.059 16.676 . 0 0 "[ . 1 . 2]" 1
206 1 38 CYS CB 1 51 SER H . 14.500 22.500 20.510 18.646 21.192 . 0 0 "[ . 1 . 2]" 1
207 1 38 CYS H 1 51 SER CB . 19.700 27.700 22.331 20.940 23.877 . 0 0 "[ . 1 . 2]" 1
208 1 38 CYS CB 1 52 ARG H . 16.300 24.300 22.984 19.617 24.278 . 0 0 "[ . 1 . 2]" 1
209 1 38 CYS CB 1 53 GLY H . 19.500 27.500 24.144 21.650 26.891 . 0 0 "[ . 1 . 2]" 1
210 1 38 CYS CB 1 54 SER H . 23.600 . 25.791 23.894 28.142 . 0 0 "[ . 1 . 2]" 1
211 1 38 CYS CB 1 55 THR H . 22.300 . 26.156 22.740 28.615 . 0 0 "[ . 1 . 2]" 1
212 1 38 CYS CB 1 56 LYS H . 23.600 . 26.870 23.928 29.629 . 0 0 "[ . 1 . 2]" 1
213 1 38 CYS CB 1 57 MET H . 22.000 . 26.400 22.357 29.716 . 0 0 "[ . 1 . 2]" 1
214 1 38 CYS CB 1 58 SER H . 22.600 . 25.727 22.830 27.966 . 0 0 "[ . 1 . 2]" 1
215 1 38 CYS H 1 58 SER CB . 22.900 . 24.406 22.897 25.649 0.003 10 0 "[ . 1 . 2]" 1
216 1 38 CYS CB 1 59 ILE H . 21.900 . 25.625 22.152 29.265 . 0 0 "[ . 1 . 2]" 1
217 1 38 CYS CB 1 61 LEU H . 18.600 26.600 24.358 20.428 26.356 . 0 0 "[ . 1 . 2]" 1
218 1 38 CYS CB 1 62 ILE H . 16.200 24.200 23.659 21.781 24.205 0.005 10 0 "[ . 1 . 2]" 1
219 1 38 CYS CB 1 63 HIS H . 17.800 25.800 23.749 21.185 25.802 0.002 6 0 "[ . 1 . 2]" 1
220 1 38 CYS CB 1 64 THR H . 21.100 29.100 23.293 21.624 24.985 . 0 0 "[ . 1 . 2]" 1
221 1 38 CYS CB 1 65 ARG H . 16.900 24.900 22.383 21.423 23.886 . 0 0 "[ . 1 . 2]" 1
222 1 38 CYS CB 1 66 VAL H . 14.500 22.500 20.498 19.256 21.521 . 0 0 "[ . 1 . 2]" 1
223 1 38 CYS CB 1 67 ALA H . 15.100 23.100 18.985 18.322 19.712 . 0 0 "[ . 1 . 2]" 1
224 1 38 CYS CB 1 68 ALA H . 14.700 22.700 19.657 19.014 20.416 . 0 0 "[ . 1 . 2]" 1
225 1 38 CYS CB 1 69 GLN H . 16.000 24.000 18.620 17.917 19.519 . 0 0 "[ . 1 . 2]" 1
226 1 38 CYS CB 1 70 ALA H . 12.200 20.200 15.762 15.097 16.544 . 0 0 "[ . 1 . 2]" 1
227 1 38 CYS CB 1 71 CYS H . 14.100 22.100 15.918 15.306 16.553 . 0 0 "[ . 1 . 2]" 1
228 1 38 CYS H 1 71 CYS CB . 10.400 18.400 16.497 15.748 17.112 . 0 0 "[ . 1 . 2]" 1
229 1 38 CYS CB 1 72 ALA H . 11.600 19.600 16.786 16.149 17.347 . 0 0 "[ . 1 . 2]" 1
230 1 38 CYS CB 1 73 VAL H . 8.200 16.200 15.333 14.443 16.102 . 0 0 "[ . 1 . 2]" 1
231 1 38 CYS CB 1 74 GLY H . 11.400 19.400 12.880 12.241 13.829 . 0 0 "[ . 1 . 2]" 1
232 1 38 CYS CB 1 75 ALA H . 11.800 19.800 13.631 13.019 14.472 . 0 0 "[ . 1 . 2]" 1
233 1 38 CYS CB 1 76 ILE H . 12.400 20.400 14.308 13.661 15.179 . 0 0 "[ . 1 . 2]" 1
234 1 38 CYS CB 1 77 MET H . 11.000 19.000 11.937 11.003 12.954 . 0 0 "[ . 1 . 2]" 1
235 1 38 CYS CB 1 78 LEU H . 5.900 13.900 10.284 9.446 11.015 . 0 0 "[ . 1 . 2]" 1
236 1 38 CYS CB 1 79 GLY H . 11.400 19.400 12.248 11.692 12.980 . 0 0 "[ . 1 . 2]" 1
237 1 38 CYS CB 1 80 ALA H . 12.100 20.100 12.404 12.094 12.967 0.006 15 0 "[ . 1 . 2]" 1
238 1 38 CYS CB 1 81 VAL H . 8.800 16.800 9.862 9.464 10.488 . 0 0 "[ . 1 . 2]" 1
239 1 38 CYS CB 1 82 TYR H . 9.900 17.900 10.062 9.886 10.528 0.014 6 0 "[ . 1 . 2]" 1
240 1 38 CYS CB 1 83 THR H . 11.900 19.900 12.791 12.341 13.044 . 0 0 "[ . 1 . 2]" 1
241 1 38 CYS CB 1 86 SER H . 12.100 20.100 12.405 12.111 12.715 . 0 0 "[ . 1 . 2]" 1
242 1 38 CYS H 1 86 SER CB . 15.700 23.700 15.676 15.650 15.700 0.050 12 0 "[ . 1 . 2]" 1
243 1 38 CYS CB 1 87 ASP H . 7.900 15.900 14.838 14.148 15.296 . 0 0 "[ . 1 . 2]" 1
244 1 38 CYS CB 1 88 TYR H . 8.100 16.100 14.411 13.760 15.038 . 0 0 "[ . 1 . 2]" 1
245 1 38 CYS CB 1 89 VAL H . 10.700 18.700 16.101 15.496 16.880 . 0 0 "[ . 1 . 2]" 1
246 1 38 CYS CB 1 90 LYS H . 18.500 26.500 19.538 18.492 21.044 0.008 17 0 "[ . 1 . 2]" 1
247 1 38 CYS CB 1 91 ARG H . 20.600 28.600 21.673 20.604 23.586 . 0 0 "[ . 1 . 2]" 1
248 1 38 CYS CB 1 93 ALA H . 25.000 . 25.538 24.997 27.065 0.003 19 0 "[ . 1 . 2]" 1
249 1 38 CYS CB 1 94 GLN H . 25.000 . 25.753 24.997 27.896 0.003 5 0 "[ . 1 . 2]" 1
250 1 38 CYS CB 1 95 ASP H . 25.000 . 26.348 25.002 28.136 . 0 0 "[ . 1 . 2]" 1
251 1 38 CYS CB 1 96 ALA H . 25.000 . 26.766 24.999 28.770 0.001 10 0 "[ . 1 . 2]" 1
252 1 38 CYS CB 1 97 GLY H . 25.000 . 27.916 26.118 29.569 . 0 0 "[ . 1 . 2]" 1
253 1 38 CYS CB 1 98 GLU H . 25.000 . 30.564 26.052 33.679 . 0 0 "[ . 1 . 2]" 1
254 1 38 CYS CB 1 99 LYS H . 25.000 . 31.595 25.546 34.938 . 0 0 "[ . 1 . 2]" 1
255 1 39 LEU H 1 51 SER CB . 14.700 22.700 20.851 19.417 22.342 . 0 0 "[ . 1 . 2]" 1
256 1 39 LEU H 1 58 SER CB . 16.900 24.900 23.632 21.877 24.900 . 0 0 "[ . 1 . 2]" 1
257 1 39 LEU H 1 86 SER CB . 16.800 24.800 17.308 16.980 17.691 . 0 0 "[ . 1 . 2]" 1
258 1 40 VAL H 1 58 SER CB . 18.300 26.300 21.428 19.876 22.771 . 0 0 "[ . 1 . 2]" 1
259 1 40 VAL H 1 71 CYS CB . 7.500 15.500 15.133 14.108 15.503 0.003 11 0 "[ . 1 . 2]" 1
260 1 40 VAL H 1 86 SER CB . 15.900 23.900 18.614 18.182 19.079 . 0 0 "[ . 1 . 2]" 1
261 1 41 VAL H 1 58 SER CB . 15.800 23.800 19.919 18.357 21.133 . 0 0 "[ . 1 . 2]" 1
262 1 41 VAL H 1 86 SER CB . 15.700 23.700 17.301 16.991 17.835 . 0 0 "[ . 1 . 2]" 1
263 1 42 ALA H 1 51 SER CB . 15.900 23.900 17.050 15.902 18.631 . 0 0 "[ . 1 . 2]" 1
264 1 42 ALA H 1 58 SER CB . 14.900 22.900 19.745 17.897 21.287 . 0 0 "[ . 1 . 2]" 1
265 1 42 ALA H 1 71 CYS CB . 8.400 16.400 13.334 12.447 14.202 . 0 0 "[ . 1 . 2]" 1
266 1 42 ALA H 1 86 SER CB . 12.300 20.300 16.571 16.274 16.893 . 0 0 "[ . 1 . 2]" 1
267 1 43 ALA H 1 51 SER CB . 8.800 16.800 15.284 13.786 16.802 0.002 15 0 "[ . 1 . 2]" 1
268 1 43 ALA H 1 58 SER CB . 12.200 20.200 18.447 16.655 19.902 . 0 0 "[ . 1 . 2]" 1
269 1 43 ALA H 1 86 SER CB . 11.400 19.400 19.404 19.257 19.430 0.030 10 0 "[ . 1 . 2]" 1
270 1 44 TYR H 1 51 SER CB . 8.900 16.900 13.686 12.340 15.437 . 0 0 "[ . 1 . 2]" 1
271 1 44 TYR H 1 86 SER CB . 12.600 20.600 20.498 20.109 20.613 0.013 19 0 "[ . 1 . 2]" 1
272 1 45 ARG H 1 51 SER CB . 9.900 17.900 12.785 11.907 14.144 . 0 0 "[ . 1 . 2]" 1
273 1 45 ARG H 1 58 SER CB . 10.900 18.900 15.324 13.475 16.976 . 0 0 "[ . 1 . 2]" 1
274 1 45 ARG H 1 71 CYS CB . 9.800 17.800 10.730 9.845 11.915 . 0 0 "[ . 1 . 2]" 1
275 1 45 ARG H 1 86 SER CB . 12.900 20.900 19.246 18.877 19.556 . 0 0 "[ . 1 . 2]" 1
276 1 46 ILE H 1 51 SER CB . 8.400 16.400 11.359 10.525 12.504 . 0 0 "[ . 1 . 2]" 1
277 1 46 ILE H 1 71 CYS CB . 10.300 18.300 13.131 12.370 14.446 . 0 0 "[ . 1 . 2]" 1
278 1 46 ILE H 1 86 SER CB . 15.900 23.900 20.341 19.846 20.828 . 0 0 "[ . 1 . 2]" 1
279 1 47 TYR H 1 58 SER CB . 7.900 15.900 13.656 11.122 15.431 . 0 0 "[ . 1 . 2]" 1
280 1 47 TYR H 1 71 CYS CB . 10.100 18.100 13.318 12.288 14.621 . 0 0 "[ . 1 . 2]" 1
281 1 47 TYR H 1 86 SER CB . 15.400 23.400 23.049 22.655 23.380 . 0 0 "[ . 1 . 2]" 1
282 1 48 ARG H 1 86 SER CB . 15.500 23.500 23.279 22.905 23.509 0.009 17 0 "[ . 1 . 2]" 1
283 1 49 LEU H 1 58 SER CB . 7.300 15.300 12.073 9.536 14.582 . 0 0 "[ . 1 . 2]" 1
284 1 49 LEU H 1 86 SER CB . 16.000 24.000 22.923 22.276 23.498 . 0 0 "[ . 1 . 2]" 1
285 1 50 ARG H 1 71 CYS CB . 10.500 18.500 15.114 13.953 16.836 . 0 0 "[ . 1 . 2]" 1
286 1 50 ARG H 1 86 SER CB . 20.600 28.600 25.099 24.394 25.618 . 0 0 "[ . 1 . 2]" 1
287 1 51 SER CB 1 60 HIS H . 6.200 14.600 11.295 6.220 14.558 . 0 0 "[ . 1 . 2]" 1
288 1 51 SER CB 1 62 ILE H . 8.100 16.100 13.357 10.013 15.534 . 0 0 "[ . 1 . 2]" 1
289 1 51 SER CB 1 64 THR H . 12.100 20.100 16.255 12.692 20.011 . 0 0 "[ . 1 . 2]" 1
290 1 51 SER CB 1 65 ARG H . 13.300 21.300 17.440 15.208 20.083 . 0 0 "[ . 1 . 2]" 1
291 1 51 SER CB 1 68 ALA H . 14.500 22.500 15.993 14.819 17.040 . 0 0 "[ . 1 . 2]" 1
292 1 51 SER CB 1 69 GLN H . 15.600 23.600 18.205 16.859 19.075 . 0 0 "[ . 1 . 2]" 1
293 1 51 SER CB 1 70 ALA H . 15.300 23.300 17.167 15.732 18.112 . 0 0 "[ . 1 . 2]" 1
294 1 51 SER CB 1 71 CYS H . 15.700 23.700 16.985 16.049 18.040 . 0 0 "[ . 1 . 2]" 1
295 1 51 SER H 1 71 CYS CB . 12.600 20.600 17.671 15.648 18.798 . 0 0 "[ . 1 . 2]" 1
296 1 51 SER CB 1 73 VAL H . 17.800 . 21.039 19.971 22.071 . 0 0 "[ . 1 . 2]" 1
297 1 51 SER CB 1 78 LEU H . 19.200 . 22.041 21.135 23.842 . 0 0 "[ . 1 . 2]" 1
298 1 51 SER CB 1 79 GLY H . 22.800 . 23.796 22.939 25.628 . 0 0 "[ . 1 . 2]" 1
299 1 51 SER CB 1 80 ALA H . 25.000 . 26.269 25.271 27.494 . 0 0 "[ . 1 . 2]" 1
300 1 51 SER CB 1 81 VAL H . 25.000 . 25.963 25.126 27.189 . 0 0 "[ . 1 . 2]" 1
301 1 51 SER CB 1 82 TYR H . 25.000 . 25.483 24.997 26.675 0.003 16 0 "[ . 1 . 2]" 1
302 1 51 SER CB 1 83 THR H . 25.000 . 28.191 27.505 29.557 . 0 0 "[ . 1 . 2]" 1
303 1 51 SER CB 1 84 MET H . 25.000 . 29.614 28.769 30.990 . 0 0 "[ . 1 . 2]" 1
304 1 51 SER CB 1 85 TYR H . 25.000 . 28.965 28.066 30.269 . 0 0 "[ . 1 . 2]" 1
305 1 51 SER CB 1 86 SER H . 25.000 . 29.641 28.815 30.477 . 0 0 "[ . 1 . 2]" 1
306 1 51 SER H 1 86 SER CB . 25.000 . 29.207 28.132 30.104 . 0 0 "[ . 1 . 2]" 1
307 1 51 SER CB 1 87 ASP H . 25.000 . 32.210 31.364 33.474 . 0 0 "[ . 1 . 2]" 1
308 1 51 SER CB 1 88 TYR H . 24.100 . 33.075 32.092 34.493 . 0 0 "[ . 1 . 2]" 1
309 1 51 SER CB 1 89 VAL H . 25.000 . 34.148 32.809 35.241 . 0 0 "[ . 1 . 2]" 1
310 1 51 SER CB 1 90 LYS H . 25.000 . 37.564 36.053 39.424 . 0 0 "[ . 1 . 2]" 1
311 1 51 SER CB 1 91 ARG H . 25.000 . 39.243 36.936 40.846 . 0 0 "[ . 1 . 2]" 1
312 1 51 SER CB 1 92 MET H . 25.000 . 40.429 38.029 42.910 . 0 0 "[ . 1 . 2]" 1
313 1 51 SER CB 1 93 ALA H . 25.000 . 41.693 40.256 44.424 . 0 0 "[ . 1 . 2]" 1
314 1 51 SER CB 1 94 GLN H . 25.000 . 41.747 39.536 46.510 . 0 0 "[ . 1 . 2]" 1
315 1 51 SER CB 1 95 ASP H . 25.000 . 41.434 37.864 45.566 . 0 0 "[ . 1 . 2]" 1
316 1 51 SER CB 1 96 ALA H . 25.000 . 41.164 38.699 44.766 . 0 0 "[ . 1 . 2]" 1
317 1 51 SER CB 1 97 GLY H . 25.000 . 41.502 37.566 45.372 . 0 0 "[ . 1 . 2]" 1
318 1 51 SER CB 1 98 GLU H . 25.000 . 43.598 36.892 47.691 . 0 0 "[ . 1 . 2]" 1
319 1 51 SER CB 1 99 LYS H . 25.000 . 44.656 36.626 50.381 . 0 0 "[ . 1 . 2]" 1
320 1 52 ARG H 1 86 SER CB . 25.000 . 31.419 29.458 32.742 . 0 0 "[ . 1 . 2]" 1
321 1 53 GLY H 1 86 SER CB . 25.000 . 32.097 28.382 35.484 . 0 0 "[ . 1 . 2]" 1
322 1 54 SER H 1 71 CYS CB . 12.200 20.200 17.656 14.329 20.112 . 0 0 "[ . 1 . 2]" 1
323 1 54 SER H 1 86 SER CB . 25.000 . 33.730 30.464 37.455 . 0 0 "[ . 1 . 2]" 1
324 1 55 THR H 1 71 CYS CB . 10.700 18.700 16.867 11.186 18.700 0.000 17 0 "[ . 1 . 2]" 1
325 1 55 THR H 1 86 SER CB . 25.000 . 33.941 29.915 36.987 . 0 0 "[ . 1 . 2]" 1
326 1 56 LYS H 1 71 CYS CB . 10.200 18.200 16.672 13.174 18.140 . 0 0 "[ . 1 . 2]" 1
327 1 56 LYS H 1 86 SER CB . 25.000 . 34.520 29.801 37.560 . 0 0 "[ . 1 . 2]" 1
328 1 57 MET H 1 71 CYS CB . 9.500 17.500 15.702 12.068 17.500 . 0 0 "[ . 1 . 2]" 1
329 1 57 MET H 1 86 SER CB . 25.000 . 34.028 29.777 37.749 . 0 0 "[ . 1 . 2]" 1
330 1 58 SER CB 1 66 VAL H . 9.100 17.100 11.061 9.195 13.650 . 0 0 "[ . 1 . 2]" 1
331 1 58 SER CB 1 70 ALA H . 7.800 15.800 13.681 12.221 14.769 . 0 0 "[ . 1 . 2]" 1
332 1 58 SER CB 1 71 CYS H . 7.200 15.200 13.617 12.260 14.771 . 0 0 "[ . 1 . 2]" 1
333 1 58 SER H 1 71 CYS CB . 9.200 17.200 15.112 11.747 17.201 0.001 15 0 "[ . 1 . 2]" 1
334 1 58 SER CB 1 72 ALA H . 10.100 18.100 15.670 14.141 17.057 . 0 0 "[ . 1 . 2]" 1
335 1 58 SER CB 1 73 VAL H . 14.600 22.600 17.828 16.559 18.802 . 0 0 "[ . 1 . 2]" 1
336 1 58 SER CB 1 74 GLY H . 10.100 18.100 17.382 16.340 18.101 0.001 13 0 "[ . 1 . 2]" 1
337 1 58 SER CB 1 75 ALA H . 13.900 21.900 18.263 17.135 19.657 . 0 0 "[ . 1 . 2]" 1
338 1 58 SER CB 1 76 ILE H . 18.400 26.400 20.866 19.482 22.064 . 0 0 "[ . 1 . 2]" 1
339 1 58 SER CB 1 78 LEU H . 16.100 24.100 21.631 20.600 22.731 . 0 0 "[ . 1 . 2]" 1
340 1 58 SER CB 1 79 GLY H . 16.900 24.900 23.322 22.215 24.663 . 0 0 "[ . 1 . 2]" 1
341 1 58 SER CB 1 80 ALA H . 25.000 . 25.709 25.010 26.743 . 0 0 "[ . 1 . 2]" 1
342 1 58 SER CB 1 81 VAL H . 25.000 . 26.201 25.215 27.407 . 0 0 "[ . 1 . 2]" 1
343 1 58 SER CB 1 82 TYR H . 25.000 . 26.396 25.484 28.063 . 0 0 "[ . 1 . 2]" 1
344 1 58 SER CB 1 83 THR H . 25.000 . 28.792 27.750 30.415 . 0 0 "[ . 1 . 2]" 1
345 1 58 SER CB 1 84 MET H . 25.000 . 30.440 29.435 32.053 . 0 0 "[ . 1 . 2]" 1
346 1 58 SER CB 1 85 TYR H . 25.000 . 30.580 29.234 32.094 . 0 0 "[ . 1 . 2]" 1
347 1 58 SER CB 1 86 SER H . 25.000 . 31.473 30.351 33.000 . 0 0 "[ . 1 . 2]" 1
348 1 58 SER H 1 86 SER CB . 24.600 . 33.646 31.278 35.569 . 0 0 "[ . 1 . 2]" 1
349 1 58 SER CB 1 87 ASP H . 25.000 . 33.745 32.644 35.255 . 0 0 "[ . 1 . 2]" 1
350 1 58 SER CB 1 88 TYR H . 25.000 . 35.028 33.636 36.548 . 0 0 "[ . 1 . 2]" 1
351 1 58 SER CB 1 89 VAL H . 25.000 . 36.580 35.132 38.585 . 0 0 "[ . 1 . 2]" 1
352 1 58 SER CB 1 90 LYS H . 25.000 . 40.276 38.785 43.037 . 0 0 "[ . 1 . 2]" 1
353 1 58 SER CB 1 91 ARG H . 25.000 . 41.709 38.977 43.921 . 0 0 "[ . 1 . 2]" 1
354 1 58 SER CB 1 92 MET H . 25.000 . 42.741 40.424 45.952 . 0 0 "[ . 1 . 2]" 1
355 1 58 SER CB 1 93 ALA H . 25.000 . 43.795 41.376 45.795 . 0 0 "[ . 1 . 2]" 1
356 1 58 SER CB 1 94 GLN H . 25.000 . 43.675 40.766 47.225 . 0 0 "[ . 1 . 2]" 1
357 1 58 SER CB 1 95 ASP H . 25.000 . 43.183 39.684 46.948 . 0 0 "[ . 1 . 2]" 1
358 1 58 SER CB 1 96 ALA H . 25.000 . 42.769 38.178 46.148 . 0 0 "[ . 1 . 2]" 1
359 1 58 SER CB 1 97 GLY H . 25.000 . 43.144 40.032 48.081 . 0 0 "[ . 1 . 2]" 1
360 1 58 SER CB 1 98 GLU H . 25.000 . 45.270 40.119 50.001 . 0 0 "[ . 1 . 2]" 1
361 1 58 SER CB 1 99 LYS H . 25.000 . 46.305 40.619 52.181 . 0 0 "[ . 1 . 2]" 1
362 1 59 ILE H 1 71 CYS CB . 11.800 19.800 14.651 12.205 17.632 . 0 0 "[ . 1 . 2]" 1
363 1 59 ILE H 1 86 SER CB . 25.000 . 33.551 30.633 37.596 . 0 0 "[ . 1 . 2]" 1
364 1 60 HIS H 1 71 CYS CB . 10.300 18.300 13.974 11.253 16.829 . 0 0 "[ . 1 . 2]" 1
365 1 61 LEU H 1 71 CYS CB . 10.200 18.200 12.768 10.201 16.452 . 0 0 "[ . 1 . 2]" 1
366 1 62 ILE H 1 71 CYS CB . 6.400 14.400 11.254 7.786 14.351 . 0 0 "[ . 1 . 2]" 1
367 1 62 ILE H 1 86 SER CB . 25.000 . 31.024 28.451 34.102 . 0 0 "[ . 1 . 2]" 1
368 1 63 HIS H 1 86 SER CB . 25.000 . 30.999 26.652 35.267 . 0 0 "[ . 1 . 2]" 1
369 1 64 THR H 1 71 CYS CB . 4.900 12.900 10.047 6.426 12.901 0.001 3 0 "[ . 1 . 2]" 1
370 1 64 THR H 1 86 SER CB . 25.000 . 30.707 27.664 33.063 . 0 0 "[ . 1 . 2]" 1
371 1 65 ARG H 1 71 CYS CB . 8.800 16.800 9.810 8.804 10.912 . 0 0 "[ . 1 . 2]" 1
372 1 65 ARG H 1 86 SER CB . 25.000 . 30.227 29.006 31.200 . 0 0 "[ . 1 . 2]" 1
373 1 66 VAL H 1 86 SER CB . 25.000 . 29.077 28.756 29.346 . 0 0 "[ . 1 . 2]" 1
374 1 67 ALA H 1 86 SER CB . 19.400 27.400 27.227 26.967 27.404 0.004 2 0 "[ . 1 . 2]" 1
375 1 68 ALA H 1 86 SER CB . 20.300 28.300 26.439 26.027 26.757 . 0 0 "[ . 1 . 2]" 1
376 1 69 GLN H 1 71 CYS CB . 5.100 13.100 5.643 5.302 6.104 . 0 0 "[ . 1 . 2]" 1
377 1 69 GLN H 1 86 SER CB . 17.600 25.600 25.351 25.060 25.532 . 0 0 "[ . 1 . 2]" 1
378 1 70 ALA H 1 86 SER CB . 15.300 23.300 23.294 23.139 23.326 0.026 13 0 "[ . 1 . 2]" 1
379 1 71 CYS CB 1 77 MET H . 8.400 16.400 9.330 8.876 9.668 . 0 0 "[ . 1 . 2]" 1
380 1 71 CYS CB 1 81 VAL H . 7.700 15.700 14.259 14.015 14.495 . 0 0 "[ . 1 . 2]" 1
381 1 71 CYS CB 1 82 TYR H . 7.600 15.600 14.889 14.533 15.203 . 0 0 "[ . 1 . 2]" 1
382 1 71 CYS CB 1 83 THR H . 11.200 19.200 16.757 16.249 17.208 . 0 0 "[ . 1 . 2]" 1
383 1 71 CYS CB 1 84 MET H . 14.800 22.800 18.542 18.205 18.895 . 0 0 "[ . 1 . 2]" 1
384 1 71 CYS CB 1 85 TYR H . 15.400 23.400 19.502 19.207 19.736 . 0 0 "[ . 1 . 2]" 1
385 1 71 CYS CB 1 86 SER H . 16.300 24.300 20.448 20.151 20.997 . 0 0 "[ . 1 . 2]" 1
386 1 71 CYS H 1 86 SER CB . 15.800 23.800 21.910 21.664 22.144 . 0 0 "[ . 1 . 2]" 1
387 1 71 CYS CB 1 87 ASP H . 18.700 26.700 22.248 21.819 22.673 . 0 0 "[ . 1 . 2]" 1
388 1 71 CYS CB 1 88 TYR H . 18.500 26.500 23.898 23.483 24.262 . 0 0 "[ . 1 . 2]" 1
389 1 71 CYS CB 1 89 VAL H . 18.500 26.500 25.853 25.242 26.266 . 0 0 "[ . 1 . 2]" 1
390 1 71 CYS CB 1 90 LYS H . 25.000 . 29.685 28.245 30.853 . 0 0 "[ . 1 . 2]" 1
391 1 71 CYS CB 1 91 ARG H . 25.000 . 30.821 29.495 32.272 . 0 0 "[ . 1 . 2]" 1
392 1 71 CYS CB 1 92 MET H . 25.000 . 31.718 28.716 34.849 . 0 0 "[ . 1 . 2]" 1
393 1 71 CYS CB 1 93 ALA H . 25.000 . 32.617 30.794 35.786 . 0 0 "[ . 1 . 2]" 1
394 1 71 CYS CB 1 94 GLN H . 25.000 . 32.351 28.824 35.944 . 0 0 "[ . 1 . 2]" 1
395 1 71 CYS CB 1 95 ASP H . 25.000 . 31.810 27.993 35.118 . 0 0 "[ . 1 . 2]" 1
396 1 71 CYS CB 1 96 ALA H . 25.000 . 31.386 28.151 34.869 . 0 0 "[ . 1 . 2]" 1
397 1 71 CYS CB 1 97 GLY H . 25.000 . 31.965 28.330 35.162 . 0 0 "[ . 1 . 2]" 1
398 1 71 CYS CB 1 98 GLU H . 25.000 . 34.317 27.631 39.289 . 0 0 "[ . 1 . 2]" 1
399 1 71 CYS CB 1 99 LYS H . 25.000 . 35.447 28.904 40.715 . 0 0 "[ . 1 . 2]" 1
400 1 74 GLY H 1 86 SER CB . 14.900 22.900 18.322 18.012 18.537 . 0 0 "[ . 1 . 2]" 1
401 1 75 ALA H 1 86 SER CB . 11.400 19.400 16.700 16.336 17.010 . 0 0 "[ . 1 . 2]" 1
402 1 76 ILE H 1 86 SER CB . 10.500 18.500 15.787 15.372 16.204 . 0 0 "[ . 1 . 2]" 1
403 1 78 LEU H 1 86 SER CB . 10.700 18.700 12.749 12.339 13.128 . 0 0 "[ . 1 . 2]" 1
404 1 79 GLY H 1 86 SER CB . 7.200 15.200 11.039 10.595 11.433 . 0 0 "[ . 1 . 2]" 1
405 1 80 ALA H 1 86 SER CB . 8.100 16.100 10.383 9.893 10.810 . 0 0 "[ . 1 . 2]" 1
406 1 86 SER CB 1 97 GLY H . 7.600 15.600 14.914 12.730 15.588 . 0 0 "[ . 1 . 2]" 1
407 1 86 SER CB 1 99 LYS H . 15.900 23.900 19.396 16.627 21.812 . 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 74
_Distance_constraint_stats_list.Viol_count 16
_Distance_constraint_stats_list.Viol_total 0.909
_Distance_constraint_stats_list.Viol_max 0.012
_Distance_constraint_stats_list.Viol_rms 0.0004
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0028
_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 28 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 CYS 0.012 0.006 6 0 "[ . 1 . 2]"
1 39 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 SER 0.004 0.004 15 0 "[ . 1 . 2]"
1 52 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 SER 0.010 0.007 10 0 "[ . 1 . 2]"
1 59 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ALA 0.004 0.004 15 0 "[ . 1 . 2]"
1 68 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 GLN 0.010 0.007 10 0 "[ . 1 . 2]"
1 70 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 CYS 0.019 0.012 6 0 "[ . 1 . 2]"
1 72 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ALA 0.019 0.012 6 0 "[ . 1 . 2]"
1 81 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 MET 0.012 0.006 6 0 "[ . 1 . 2]"
1 85 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 SER 0.001 0.001 8 0 "[ . 1 . 2]"
1 87 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 ASP 0.001 0.001 8 0 "[ . 1 . 2]"
1 96 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 28 SER CB 1 33 ILE H . . 12.000 5.985 5.283 6.851 . 0 0 "[ . 1 . 2]" 2
2 1 28 SER CB 1 35 LEU H . . 12.000 10.230 9.445 11.264 . 0 0 "[ . 1 . 2]" 2
3 1 31 VAL H 1 38 CYS CB . . 12.000 10.475 10.102 11.091 . 0 0 "[ . 1 . 2]" 2
4 1 34 GLY H 1 38 CYS CB . . 10.000 7.071 6.763 7.381 . 0 0 "[ . 1 . 2]" 2
5 1 35 LEU H 1 38 CYS CB . . 10.000 5.443 5.239 5.671 . 0 0 "[ . 1 . 2]" 2
6 1 36 GLY H 1 38 CYS CB . . 10.000 5.561 5.370 5.728 . 0 0 "[ . 1 . 2]" 2
7 1 37 GLY H 1 38 CYS CB . . 12.000 5.293 5.208 5.440 . 0 0 "[ . 1 . 2]" 2
8 1 38 CYS CB 1 39 LEU H . . 12.000 2.910 2.716 3.150 . 0 0 "[ . 1 . 2]" 2
9 1 38 CYS CB 1 41 VAL H . . 12.000 5.211 4.808 5.632 . 0 0 "[ . 1 . 2]" 2
10 1 38 CYS CB 1 43 ALA H . . 12.000 6.769 6.509 7.085 . 0 0 "[ . 1 . 2]" 2
11 1 38 CYS CB 1 45 ARG H . . 12.000 9.409 9.046 9.648 . 0 0 "[ . 1 . 2]" 2
12 1 38 CYS CB 1 46 ILE H . . 12.000 10.440 10.258 10.691 . 0 0 "[ . 1 . 2]" 2
13 1 38 CYS CB 1 47 TYR H . . 13.100 12.423 12.234 12.679 . 0 0 "[ . 1 . 2]" 2
14 1 38 CYS CB 1 84 MET H . . 12.400 12.188 11.541 12.406 0.006 6 0 "[ . 1 . 2]" 2
15 1 38 CYS CB 1 85 TYR H . . 12.000 10.391 9.834 10.768 . 0 0 "[ . 1 . 2]" 2
16 1 48 ARG H 1 51 SER CB . . 12.000 8.181 7.038 10.220 . 0 0 "[ . 1 . 2]" 2
17 1 48 ARG H 1 58 SER CB . . 14.900 11.322 9.022 12.842 . 0 0 "[ . 1 . 2]" 2
18 1 48 ARG H 1 71 CYS CB . . 17.600 11.173 10.235 12.728 . 0 0 "[ . 1 . 2]" 2
19 1 49 LEU H 1 51 SER CB . . 12.000 7.637 6.557 8.564 . 0 0 "[ . 1 . 2]" 2
20 1 50 ARG H 1 51 SER CB . . 12.000 5.994 5.510 6.554 . 0 0 "[ . 1 . 2]" 2
21 1 50 ARG H 1 58 SER CB . . 14.800 12.525 9.148 14.374 . 0 0 "[ . 1 . 2]" 2
22 1 51 SER CB 1 52 ARG H . . 14.500 3.433 2.676 4.079 . 0 0 "[ . 1 . 2]" 2
23 1 51 SER CB 1 53 GLY H . . 14.800 5.582 4.166 7.109 . 0 0 "[ . 1 . 2]" 2
24 1 51 SER CB 1 54 SER H . . 14.600 6.963 4.497 9.415 . 0 0 "[ . 1 . 2]" 2
25 1 51 SER CB 1 56 LYS H . . 25.200 9.391 5.423 13.187 . 0 0 "[ . 1 . 2]" 2
26 1 51 SER CB 1 57 MET H . . 14.600 9.448 5.338 13.140 . 0 0 "[ . 1 . 2]" 2
27 1 51 SER CB 1 58 SER H . . 14.700 8.989 5.988 11.377 . 0 0 "[ . 1 . 2]" 2
28 1 51 SER H 1 58 SER CB . . 14.700 11.447 6.675 13.930 . 0 0 "[ . 1 . 2]" 2
29 1 51 SER CB 1 59 ILE H . . 14.700 10.236 5.426 14.030 . 0 0 "[ . 1 . 2]" 2
30 1 51 SER CB 1 61 LEU H . . 14.600 12.131 7.137 13.974 . 0 0 "[ . 1 . 2]" 2
31 1 51 SER CB 1 63 HIS H . . 27.400 15.169 11.261 19.478 . 0 0 "[ . 1 . 2]" 2
32 1 51 SER CB 1 67 ALA H . . 14.900 14.476 12.834 14.904 0.004 15 0 "[ . 1 . 2]" 2
33 1 52 ARG H 1 58 SER CB . . 14.700 9.983 6.130 12.879 . 0 0 "[ . 1 . 2]" 2
34 1 53 GLY H 1 58 SER CB . . 14.600 9.137 4.140 13.560 . 0 0 "[ . 1 . 2]" 2
35 1 54 SER H 1 58 SER CB . . 14.800 7.698 2.877 11.986 . 0 0 "[ . 1 . 2]" 2
36 1 55 THR H 1 58 SER CB . . 14.500 7.316 4.142 10.886 . 0 0 "[ . 1 . 2]" 2
37 1 56 LYS H 1 58 SER CB . . 14.700 6.458 4.239 9.173 . 0 0 "[ . 1 . 2]" 2
38 1 57 MET H 1 58 SER CB . . 14.900 5.058 3.979 5.930 . 0 0 "[ . 1 . 2]" 2
39 1 58 SER CB 1 59 ILE H . . 14.500 3.341 2.677 4.077 . 0 0 "[ . 1 . 2]" 2
40 1 58 SER CB 1 60 HIS H . . 14.800 4.997 3.121 6.875 . 0 0 "[ . 1 . 2]" 2
41 1 58 SER CB 1 61 LEU H . . 14.600 6.000 2.800 9.633 . 0 0 "[ . 1 . 2]" 2
42 1 58 SER CB 1 62 ILE H . . 15.000 6.871 3.231 9.796 . 0 0 "[ . 1 . 2]" 2
43 1 58 SER CB 1 63 HIS H . . 14.900 8.328 4.736 12.121 . 0 0 "[ . 1 . 2]" 2
44 1 58 SER CB 1 64 THR H . . 14.600 9.362 5.411 12.617 . 0 0 "[ . 1 . 2]" 2
45 1 58 SER CB 1 65 ARG H . . 15.000 10.979 8.151 13.373 . 0 0 "[ . 1 . 2]" 2
46 1 58 SER CB 1 67 ALA H . . 14.900 9.645 8.056 11.749 . 0 0 "[ . 1 . 2]" 2
47 1 58 SER CB 1 68 ALA H . . 14.700 10.655 8.903 12.101 . 0 0 "[ . 1 . 2]" 2
48 1 58 SER CB 1 69 GLN H . . 14.600 13.328 11.948 14.607 0.007 10 0 "[ . 1 . 2]" 2
49 1 66 VAL H 1 71 CYS CB . . 12.000 9.385 8.936 9.811 . 0 0 "[ . 1 . 2]" 2
50 1 67 ALA H 1 71 CYS CB . . 12.000 7.381 7.059 7.734 . 0 0 "[ . 1 . 2]" 2
51 1 68 ALA H 1 71 CYS CB . . 12.000 5.579 5.247 5.960 . 0 0 "[ . 1 . 2]" 2
52 1 70 ALA H 1 71 CYS CB . . 12.000 5.229 4.953 5.420 . 0 0 "[ . 1 . 2]" 2
53 1 71 CYS CB 1 72 ALA H . . 12.000 2.950 2.714 3.184 . 0 0 "[ . 1 . 2]" 2
54 1 71 CYS CB 1 73 VAL H . . 12.000 5.558 5.170 5.823 . 0 0 "[ . 1 . 2]" 2
55 1 71 CYS CB 1 74 GLY H . . 12.000 5.267 4.872 5.615 . 0 0 "[ . 1 . 2]" 2
56 1 71 CYS CB 1 75 ALA H . . 12.000 5.214 4.944 5.479 . 0 0 "[ . 1 . 2]" 2
57 1 71 CYS CB 1 76 ILE H . . 12.000 7.549 7.283 7.755 . 0 0 "[ . 1 . 2]" 2
58 1 71 CYS CB 1 78 LEU H . . 12.000 9.550 9.278 9.817 . 0 0 "[ . 1 . 2]" 2
59 1 71 CYS CB 1 79 GLY H . . 12.000 10.808 10.225 11.227 . 0 0 "[ . 1 . 2]" 2
60 1 71 CYS CB 1 80 ALA H . . 13.100 12.998 12.705 13.112 0.012 6 0 "[ . 1 . 2]" 2
61 1 81 VAL H 1 86 SER CB . . 12.000 9.385 8.992 9.881 . 0 0 "[ . 1 . 2]" 2
62 1 82 TYR H 1 86 SER CB . . 12.000 7.076 6.718 7.552 . 0 0 "[ . 1 . 2]" 2
63 1 83 THR H 1 86 SER CB . . 12.000 5.622 5.202 6.032 . 0 0 "[ . 1 . 2]" 2
64 1 84 MET H 1 86 SER CB . . 12.000 5.711 5.241 6.212 . 0 0 "[ . 1 . 2]" 2
65 1 85 TYR H 1 86 SER CB . . 12.000 5.404 5.101 5.618 . 0 0 "[ . 1 . 2]" 2
66 1 86 SER CB 1 87 ASP H . . 12.000 2.889 2.675 3.164 . 0 0 "[ . 1 . 2]" 2
67 1 86 SER CB 1 88 TYR H . . 12.000 4.731 4.344 5.165 . 0 0 "[ . 1 . 2]" 2
68 1 86 SER CB 1 89 VAL H . . 12.000 5.186 5.011 5.426 . 0 0 "[ . 1 . 2]" 2
69 1 86 SER CB 1 90 LYS H . . 12.000 8.806 6.830 9.818 . 0 0 "[ . 1 . 2]" 2
70 1 86 SER CB 1 91 ARG H . . 14.600 9.662 8.382 11.088 . 0 0 "[ . 1 . 2]" 2
71 1 86 SER CB 1 92 MET H . . 15.000 10.713 7.798 13.657 . 0 0 "[ . 1 . 2]" 2
72 1 86 SER CB 1 93 ALA H . . 14.800 12.326 10.831 14.797 . 0 0 "[ . 1 . 2]" 2
73 1 86 SER CB 1 95 ASP H . . 14.600 13.054 11.328 14.601 0.001 8 0 "[ . 1 . 2]" 2
74 1 86 SER CB 1 96 ALA H . . 15.000 13.463 10.782 14.975 . 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 84
_Distance_constraint_stats_list.Viol_count 1475
_Distance_constraint_stats_list.Viol_total 4283.198
_Distance_constraint_stats_list.Viol_max 0.316
_Distance_constraint_stats_list.Viol_rms 0.0904
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1275
_Distance_constraint_stats_list.Viol_average_violations_only 0.1452
_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 VAL 6.548 0.297 11 0 "[ . 1 . 2]"
1 18 SER 6.128 0.292 11 0 "[ . 1 . 2]"
1 19 GLU 5.709 0.287 4 0 "[ . 1 . 2]"
1 20 LYS 6.963 0.283 13 0 "[ . 1 . 2]"
1 21 LEU 11.346 0.297 11 0 "[ . 1 . 2]"
1 22 LEU 6.128 0.292 11 0 "[ . 1 . 2]"
1 23 ARG 5.709 0.287 4 0 "[ . 1 . 2]"
1 24 LYS 6.963 0.283 13 0 "[ . 1 . 2]"
1 25 THR 4.798 0.257 1 0 "[ . 1 . 2]"
1 31 VAL 8.963 0.289 20 0 "[ . 1 . 2]"
1 32 PRO 5.591 0.255 19 0 "[ . 1 . 2]"
1 33 ILE 9.039 0.308 1 0 "[ . 1 . 2]"
1 34 GLY 3.198 0.218 7 0 "[ . 1 . 2]"
1 35 LEU 17.492 0.292 17 0 "[ . 1 . 2]"
1 36 GLY 14.927 0.316 5 0 "[ . 1 . 2]"
1 37 GLY 15.423 0.308 1 0 "[ . 1 . 2]"
1 38 CYS 3.896 0.218 7 0 "[ . 1 . 2]"
1 39 LEU 16.325 0.292 17 0 "[ . 1 . 2]"
1 40 VAL 13.868 0.316 5 0 "[ . 1 . 2]"
1 41 VAL 11.167 0.279 16 0 "[ . 1 . 2]"
1 42 ALA 4.292 0.242 10 0 "[ . 1 . 2]"
1 43 ALA 14.600 0.298 7 0 "[ . 1 . 2]"
1 44 TYR 10.116 0.288 11 0 "[ . 1 . 2]"
1 45 ARG 10.984 0.296 15 0 "[ . 1 . 2]"
1 46 ILE 8.862 0.290 10 0 "[ . 1 . 2]"
1 47 TYR 6.804 0.298 7 0 "[ . 1 . 2]"
1 48 ARG 5.583 0.288 11 0 "[ . 1 . 2]"
1 49 LEU 6.201 0.296 15 0 "[ . 1 . 2]"
1 50 ARG 5.269 0.290 10 0 "[ . 1 . 2]"
1 65 ARG 4.310 0.294 15 0 "[ . 1 . 2]"
1 66 VAL 4.516 0.262 19 0 "[ . 1 . 2]"
1 67 ALA 3.438 0.213 15 0 "[ . 1 . 2]"
1 68 ALA 6.459 0.282 10 0 "[ . 1 . 2]"
1 69 GLN 7.174 0.294 15 0 "[ . 1 . 2]"
1 70 ALA 8.322 0.262 19 0 "[ . 1 . 2]"
1 71 CYS 6.462 0.213 15 0 "[ . 1 . 2]"
1 72 ALA 14.803 0.298 6 0 "[ . 1 . 2]"
1 73 VAL 5.074 0.217 15 0 "[ . 1 . 2]"
1 74 GLY 5.724 0.227 10 0 "[ . 1 . 2]"
1 75 ALA 8.959 0.283 7 0 "[ . 1 . 2]"
1 76 ILE 15.222 0.299 12 0 "[ . 1 . 2]"
1 77 MET 4.253 0.294 14 0 "[ . 1 . 2]"
1 78 LEU 4.293 0.246 17 0 "[ . 1 . 2]"
1 79 GLY 12.800 0.302 19 0 "[ . 1 . 2]"
1 80 ALA 13.331 0.299 12 0 "[ . 1 . 2]"
1 81 VAL 3.930 0.294 14 0 "[ . 1 . 2]"
1 82 TYR 5.498 0.246 17 0 "[ . 1 . 2]"
1 83 THR 9.589 0.302 19 0 "[ . 1 . 2]"
1 84 MET 9.738 0.264 9 0 "[ . 1 . 2]"
1 85 TYR 1.887 0.265 14 0 "[ . 1 . 2]"
1 86 SER 8.381 0.304 10 0 "[ . 1 . 2]"
1 87 ASP 2.724 0.212 11 0 "[ . 1 . 2]"
1 88 TYR 3.285 0.214 16 0 "[ . 1 . 2]"
1 89 VAL 5.258 0.304 10 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 17 VAL O 1 21 LEU H . . 1.800 1.953 1.808 2.021 0.221 9 0 "[ . 1 . 2]" 3
2 1 17 VAL O 1 21 LEU N . . 2.700 2.874 2.738 2.997 0.297 11 0 "[ . 1 . 2]" 3
3 1 18 SER O 1 22 LEU H . . 1.800 1.918 1.799 2.010 0.210 11 0 "[ . 1 . 2]" 3
4 1 18 SER O 1 22 LEU N . . 2.700 2.888 2.767 2.992 0.292 11 0 "[ . 1 . 2]" 3
5 1 19 GLU O 1 23 ARG H . . 1.800 1.922 1.818 2.001 0.201 13 0 "[ . 1 . 2]" 3
6 1 19 GLU O 1 23 ARG N . . 2.700 2.863 2.717 2.987 0.287 4 0 "[ . 1 . 2]" 3
7 1 20 LYS O 1 24 LYS H . . 1.800 1.950 1.854 2.001 0.201 1 0 "[ . 1 . 2]" 3
8 1 20 LYS O 1 24 LYS N . . 2.700 2.898 2.753 2.983 0.283 13 0 "[ . 1 . 2]" 3
9 1 21 LEU O 1 25 THR H . . 1.800 1.904 1.799 2.001 0.201 3 0 "[ . 1 . 2]" 3
10 1 21 LEU O 1 25 THR N . . 2.700 2.836 2.699 2.957 0.257 1 0 "[ . 1 . 2]" 3
11 1 31 VAL O 1 35 LEU H . . 1.800 2.020 2.000 2.045 0.245 11 0 "[ . 1 . 2]" 3
12 1 31 VAL O 1 35 LEU N . . 2.700 2.928 2.838 2.989 0.289 20 0 "[ . 1 . 2]" 3
13 1 32 PRO O 1 36 GLY H . . 1.800 1.918 1.789 2.006 0.206 19 0 "[ . 1 . 2]" 3
14 1 32 PRO O 1 36 GLY N . . 2.700 2.861 2.738 2.955 0.255 19 0 "[ . 1 . 2]" 3
15 1 33 ILE O 1 37 GLY H . . 1.800 2.001 1.823 2.036 0.236 19 0 "[ . 1 . 2]" 3
16 1 33 ILE O 1 37 GLY N . . 2.700 2.951 2.710 3.008 0.308 1 0 "[ . 1 . 2]" 3
17 1 34 GLY O 1 38 CYS H . . 1.800 1.960 1.892 2.018 0.218 7 0 "[ . 1 . 2]" 3
18 1 34 GLY O 1 38 CYS N . . 2.700 2.665 2.632 2.700 0.000 14 0 "[ . 1 . 2]" 3
19 1 35 LEU O 1 39 LEU H . . 1.800 1.994 1.870 2.020 0.220 10 0 "[ . 1 . 2]" 3
20 1 35 LEU O 1 39 LEU N . . 2.700 2.932 2.845 2.992 0.292 17 0 "[ . 1 . 2]" 3
21 1 36 GLY O 1 40 VAL H . . 1.800 2.011 1.938 2.033 0.233 11 0 "[ . 1 . 2]" 3
22 1 36 GLY O 1 40 VAL N . . 2.700 2.956 2.870 3.016 0.316 5 0 "[ . 1 . 2]" 3
23 1 37 GLY O 1 41 VAL H . . 1.800 1.936 1.793 2.021 0.221 11 0 "[ . 1 . 2]" 3
24 1 37 GLY O 1 41 VAL N . . 2.700 2.883 2.699 2.955 0.255 9 0 "[ . 1 . 2]" 3
25 1 38 CYS O 1 42 ALA H . . 1.800 1.827 1.759 1.905 0.105 20 0 "[ . 1 . 2]" 3
26 1 38 CYS O 1 42 ALA N . . 2.700 2.690 2.664 2.715 0.015 7 0 "[ . 1 . 2]" 3
27 1 39 LEU O 1 43 ALA H . . 1.800 2.001 1.899 2.025 0.225 10 0 "[ . 1 . 2]" 3
28 1 39 LEU O 1 43 ALA N . . 2.700 2.889 2.743 2.974 0.274 4 0 "[ . 1 . 2]" 3
29 1 40 VAL O 1 44 TYR H . . 1.800 1.885 1.786 2.007 0.207 16 0 "[ . 1 . 2]" 3
30 1 40 VAL O 1 44 TYR N . . 2.700 2.840 2.699 2.982 0.282 2 0 "[ . 1 . 2]" 3
31 1 41 VAL O 1 45 ARG H . . 1.800 1.903 1.792 2.006 0.206 13 0 "[ . 1 . 2]" 3
32 1 41 VAL O 1 45 ARG N . . 2.700 2.836 2.702 2.979 0.279 16 0 "[ . 1 . 2]" 3
33 1 42 ALA O 1 46 ILE H . . 1.800 1.866 1.797 2.005 0.205 10 0 "[ . 1 . 2]" 3
34 1 42 ALA O 1 46 ILE N . . 2.700 2.813 2.726 2.942 0.242 10 0 "[ . 1 . 2]" 3
35 1 43 ALA O 1 47 TYR H . . 1.800 1.946 1.797 2.021 0.221 11 0 "[ . 1 . 2]" 3
36 1 43 ALA O 1 47 TYR N . . 2.700 2.894 2.711 2.998 0.298 7 0 "[ . 1 . 2]" 3
37 1 44 TYR O 1 48 ARG H . . 1.800 1.914 1.796 2.024 0.224 11 0 "[ . 1 . 2]" 3
38 1 44 TYR O 1 48 ARG N . . 2.700 2.865 2.706 2.988 0.288 11 0 "[ . 1 . 2]" 3
39 1 45 ARG O 1 49 LEU H . . 1.800 1.916 1.802 2.004 0.204 15 0 "[ . 1 . 2]" 3
40 1 45 ARG O 1 49 LEU N . . 2.700 2.894 2.801 2.996 0.296 15 0 "[ . 1 . 2]" 3
41 1 46 ILE O 1 50 ARG H . . 1.800 1.919 1.806 2.003 0.203 10 0 "[ . 1 . 2]" 3
42 1 46 ILE O 1 50 ARG N . . 2.700 2.844 2.695 2.990 0.290 10 0 "[ . 1 . 2]" 3
43 1 65 ARG O 1 69 GLN H . . 1.800 1.881 1.791 2.022 0.222 15 0 "[ . 1 . 2]" 3
44 1 65 ARG O 1 69 GLN N . . 2.700 2.833 2.691 2.994 0.294 15 0 "[ . 1 . 2]" 3
45 1 66 VAL O 1 70 ALA H . . 1.800 1.891 1.782 2.001 0.201 14 0 "[ . 1 . 2]" 3
46 1 66 VAL O 1 70 ALA N . . 2.700 2.834 2.701 2.962 0.262 19 0 "[ . 1 . 2]" 3
47 1 67 ALA O 1 71 CYS H . . 1.800 1.948 1.799 2.013 0.213 15 0 "[ . 1 . 2]" 3
48 1 67 ALA O 1 71 CYS N . . 2.700 2.723 2.688 2.808 0.108 9 0 "[ . 1 . 2]" 3
49 1 68 ALA O 1 72 ALA H . . 1.800 1.949 1.801 2.010 0.210 10 0 "[ . 1 . 2]" 3
50 1 68 ALA O 1 72 ALA N . . 2.700 2.873 2.680 2.982 0.282 10 0 "[ . 1 . 2]" 3
51 1 69 GLN O 1 73 VAL H . . 1.800 1.913 1.799 2.017 0.217 15 0 "[ . 1 . 2]" 3
52 1 69 GLN O 1 73 VAL N . . 2.700 2.728 2.675 2.867 0.167 19 0 "[ . 1 . 2]" 3
53 1 70 ALA O 1 74 GLY H . . 1.800 1.982 1.831 2.027 0.227 10 0 "[ . 1 . 2]" 3
54 1 70 ALA O 1 74 GLY N . . 2.700 2.703 2.672 2.748 0.048 2 0 "[ . 1 . 2]" 3
55 1 71 CYS O 1 75 ALA H . . 1.800 1.891 1.789 2.009 0.209 14 0 "[ . 1 . 2]" 3
56 1 71 CYS O 1 75 ALA N . . 2.700 2.759 2.689 2.875 0.175 15 0 "[ . 1 . 2]" 3
57 1 72 ALA O 1 76 ILE H . . 1.800 1.984 1.823 2.016 0.216 11 0 "[ . 1 . 2]" 3
58 1 72 ALA O 1 76 ILE N . . 2.700 2.933 2.782 2.998 0.298 6 0 "[ . 1 . 2]" 3
59 1 73 VAL O 1 77 MET H . . 1.800 1.847 1.763 1.966 0.166 7 0 "[ . 1 . 2]" 3
60 1 73 VAL O 1 77 MET N . . 2.700 2.760 2.695 2.906 0.206 15 0 "[ . 1 . 2]" 3
61 1 74 GLY O 1 78 LEU H . . 1.800 1.856 1.782 2.010 0.210 11 0 "[ . 1 . 2]" 3
62 1 74 GLY O 1 78 LEU N . . 2.700 2.736 2.686 2.899 0.199 11 0 "[ . 1 . 2]" 3
63 1 75 ALA O 1 79 GLY H . . 1.800 1.925 1.801 2.006 0.206 3 0 "[ . 1 . 2]" 3
64 1 75 ALA O 1 79 GLY N . . 2.700 2.871 2.697 2.983 0.283 7 0 "[ . 1 . 2]" 3
65 1 76 ILE O 1 80 ALA H . . 1.800 1.943 1.788 2.003 0.203 12 0 "[ . 1 . 2]" 3
66 1 76 ILE O 1 80 ALA N . . 2.700 2.900 2.731 2.999 0.299 12 0 "[ . 1 . 2]" 3
67 1 77 MET O 1 81 VAL H . . 1.800 1.836 1.786 2.000 0.200 14 0 "[ . 1 . 2]" 3
68 1 77 MET O 1 81 VAL N . . 2.700 2.763 2.689 2.994 0.294 14 0 "[ . 1 . 2]" 3
69 1 78 LEU O 1 82 TYR H . . 1.800 1.861 1.794 2.022 0.222 10 0 "[ . 1 . 2]" 3
70 1 78 LEU O 1 82 TYR N . . 2.700 2.755 2.688 2.946 0.246 17 0 "[ . 1 . 2]" 3
71 1 79 GLY O 1 83 THR H . . 1.800 1.938 1.796 2.027 0.227 10 0 "[ . 1 . 2]" 3
72 1 79 GLY O 1 83 THR N . . 2.700 2.905 2.735 3.002 0.302 19 0 "[ . 1 . 2]" 3
73 1 80 ALA O 1 84 MET H . . 1.800 1.945 1.796 2.014 0.214 13 0 "[ . 1 . 2]" 3
74 1 80 ALA O 1 84 MET N . . 2.700 2.877 2.700 2.964 0.264 9 0 "[ . 1 . 2]" 3
75 1 81 VAL O 1 85 TYR H . . 1.800 1.868 1.784 2.002 0.202 14 0 "[ . 1 . 2]" 3
76 1 81 VAL O 1 85 TYR N . . 2.700 2.720 2.681 2.965 0.265 14 0 "[ . 1 . 2]" 3
77 1 82 TYR O 1 86 SER H . . 1.800 1.878 1.793 2.004 0.204 10 0 "[ . 1 . 2]" 3
78 1 82 TYR O 1 86 SER N . . 2.700 2.776 2.683 2.911 0.211 4 0 "[ . 1 . 2]" 3
79 1 83 THR O 1 87 ASP H . . 1.800 1.851 1.792 1.990 0.190 11 0 "[ . 1 . 2]" 3
80 1 83 THR O 1 87 ASP N . . 2.700 2.783 2.693 2.912 0.212 11 0 "[ . 1 . 2]" 3
81 1 84 MET O 1 88 TYR H . . 1.800 1.890 1.793 2.006 0.206 13 0 "[ . 1 . 2]" 3
82 1 84 MET O 1 88 TYR N . . 2.700 2.773 2.688 2.914 0.214 16 0 "[ . 1 . 2]" 3
83 1 86 SER O 1 89 VAL H . . 1.800 1.911 1.803 2.005 0.205 10 0 "[ . 1 . 2]" 3
84 1 86 SER O 1 89 VAL N . . 2.700 2.852 2.700 3.004 0.304 10 0 "[ . 1 . 2]" 3
stop_
save_
Contact the webmaster for help, if required. Tuesday, May 14, 2024 3:26:03 PM GMT (wattos1)