NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
540271 |
2loq   |
18221 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2loq
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 267
_Distance_constraint_stats_list.Viol_count 175
_Distance_constraint_stats_list.Viol_total 79.625
_Distance_constraint_stats_list.Viol_max 0.161
_Distance_constraint_stats_list.Viol_rms 0.0067
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0228
_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 11 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 SER 0.097 0.017 17 0 "[ . 1 . 2]"
1 19 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ALA 0.004 0.004 4 0 "[ . 1 . 2]"
1 26 VAL 0.002 0.002 18 0 "[ . 1 . 2]"
1 27 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 GLY 0.003 0.001 4 0 "[ . 1 . 2]"
1 30 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 THR 0.954 0.064 10 0 "[ . 1 . 2]"
1 36 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 LEU 0.019 0.009 13 0 "[ . 1 . 2]"
1 38 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ALA 0.265 0.028 18 0 "[ . 1 . 2]"
1 40 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 MET 0.026 0.014 18 0 "[ . 1 . 2]"
1 44 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 PHE 0.008 0.006 10 0 "[ . 1 . 2]"
1 46 THR 0.083 0.043 13 0 "[ . 1 . 2]"
1 47 SER 0.409 0.049 6 0 "[ . 1 . 2]"
1 48 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ALA 0.061 0.031 19 0 "[ . 1 . 2]"
1 57 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 LYS 0.270 0.044 15 0 "[ . 1 . 2]"
1 59 MET 0.049 0.049 6 0 "[ . 1 . 2]"
1 60 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ASN 0.001 0.001 8 0 "[ . 1 . 2]"
1 68 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 VAL 0.001 0.001 17 0 "[ . 1 . 2]"
1 72 ALA 0.002 0.002 20 0 "[ . 1 . 2]"
1 73 ALA 0.001 0.001 12 0 "[ . 1 . 2]"
1 74 GLY 0.022 0.011 14 0 "[ . 1 . 2]"
1 75 SER 0.916 0.064 10 0 "[ . 1 . 2]"
1 76 LEU 0.009 0.003 17 0 "[ . 1 . 2]"
1 77 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 LEU 0.349 0.031 15 0 "[ . 1 . 2]"
1 81 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 SER 0.100 0.054 15 0 "[ . 1 . 2]"
1 83 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 LEU 0.362 0.038 8 0 "[ . 1 . 2]"
1 89 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 VAL 1.833 0.161 15 0 "[ . 1 . 2]"
1 91 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 SER 1.862 0.161 15 0 "[ . 1 . 2]"
1 93 LYS 0.040 0.040 19 0 "[ . 1 . 2]"
1 94 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 GLY 0.020 0.009 8 0 "[ . 1 . 2]"
1 97 GLY 0.006 0.006 10 0 "[ . 1 . 2]"
1 98 PHE 0.054 0.054 15 0 "[ . 1 . 2]"
1 99 ALA 0.001 0.000 4 0 "[ . 1 . 2]"
1 100 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 LEU 0.006 0.003 10 0 "[ . 1 . 2]"
1 104 GLY 0.026 0.016 7 0 "[ . 1 . 2]"
1 105 ALA 0.079 0.017 17 0 "[ . 1 . 2]"
1 107 LEU 0.008 0.005 5 0 "[ . 1 . 2]"
1 108 GLY 0.005 0.003 19 0 "[ . 1 . 2]"
1 109 SER 0.009 0.003 13 0 "[ . 1 . 2]"
1 112 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 SER 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 11 GLY H 1 18 SER CB . . 14.000 11.647 7.227 13.953 . 0 0 "[ . 1 . 2]" 1
2 1 12 LYS H 1 18 SER CB . . 14.000 11.712 6.199 13.925 . 0 0 "[ . 1 . 2]" 1
3 1 13 GLU H 1 18 SER CB . . 14.000 11.349 6.608 13.735 . 0 0 "[ . 1 . 2]" 1
4 1 14 SER H 1 18 SER CB . . 14.000 10.699 5.982 13.778 . 0 0 "[ . 1 . 2]" 1
5 1 15 GLY H 1 18 SER CB . . 14.000 9.588 5.806 11.953 . 0 0 "[ . 1 . 2]" 1
6 1 15 GLY H 1 82 SER CB . . 24.700 22.418 18.996 24.699 . 0 0 "[ . 1 . 2]" 1
7 1 16 TRP H 1 18 SER CB . . 14.000 7.790 4.895 9.308 . 0 0 "[ . 1 . 2]" 1
8 1 16 TRP H 1 82 SER CB . . 23.600 22.190 20.075 23.531 . 0 0 "[ . 1 . 2]" 1
9 1 17 ASP H 1 18 SER CB . . 14.000 5.398 4.088 6.108 . 0 0 "[ . 1 . 2]" 1
10 1 18 SER CB 1 19 GLY H . . 14.000 3.196 2.566 3.852 . 0 0 "[ . 1 . 2]" 1
11 1 18 SER CB 1 20 ARG H . . 14.000 6.161 5.106 6.978 . 0 0 "[ . 1 . 2]" 1
12 1 18 SER CB 1 21 ALA H . . 14.000 5.957 4.162 8.263 . 0 0 "[ . 1 . 2]" 1
13 1 18 SER CB 1 22 ALA H . . 14.000 4.052 3.107 6.096 . 0 0 "[ . 1 . 2]" 1
14 1 18 SER CB 1 23 VAL H . . 14.000 6.151 5.122 7.749 . 0 0 "[ . 1 . 2]" 1
15 1 18 SER CB 1 24 ALA H . . 14.000 7.678 7.021 9.687 . 0 0 "[ . 1 . 2]" 1
16 1 18 SER CB 1 25 ALA H . . 14.000 7.045 6.217 9.181 . 0 0 "[ . 1 . 2]" 1
17 1 18 SER CB 1 26 VAL H . . 14.000 8.200 7.567 10.279 . 0 0 "[ . 1 . 2]" 1
18 1 18 SER CB 1 27 VAL H . . 14.000 10.313 9.553 12.475 . 0 0 "[ . 1 . 2]" 1
19 1 18 SER CB 1 28 GLY H . 6.500 14.500 11.652 10.729 13.720 . 0 0 "[ . 1 . 2]" 1
20 1 18 SER CB 1 29 GLY H . 8.500 16.500 15.553 13.951 16.501 0.001 4 0 "[ . 1 . 2]" 1
21 1 18 SER CB 1 30 VAL H . 9.100 17.100 16.668 15.703 17.082 . 0 0 "[ . 1 . 2]" 1
22 1 18 SER CB 1 33 VAL H . 17.600 25.600 17.897 17.603 18.393 . 0 0 "[ . 1 . 2]" 1
23 1 18 SER CB 1 34 GLY H . 16.800 24.800 20.130 19.588 20.497 . 0 0 "[ . 1 . 2]" 1
24 1 18 SER CB 1 35 THR H . 19.100 27.100 22.154 21.456 22.641 . 0 0 "[ . 1 . 2]" 1
25 1 18 SER CB 1 36 VAL H . 14.400 22.400 21.242 20.341 21.761 . 0 0 "[ . 1 . 2]" 1
26 1 18 SER CB 1 37 LEU H . 18.900 26.900 21.232 20.529 21.893 . 0 0 "[ . 1 . 2]" 1
27 1 18 SER CB 1 39 ALA H . 18.100 26.100 24.807 23.847 25.655 . 0 0 "[ . 1 . 2]" 1
28 1 18 SER CB 1 40 LEU H . 17.300 25.300 24.317 23.210 25.156 . 0 0 "[ . 1 . 2]" 1
29 1 18 SER CB 1 71 VAL H . 13.500 21.500 21.282 20.663 21.501 0.001 17 0 "[ . 1 . 2]" 1
30 1 18 SER CB 1 72 ALA H . 12.700 20.700 20.333 19.353 20.702 0.002 20 0 "[ . 1 . 2]" 1
31 1 18 SER CB 1 73 ALA H . 15.800 23.800 22.882 20.087 23.801 0.001 12 0 "[ . 1 . 2]" 1
32 1 18 SER CB 1 87 GLY H . 15.200 23.200 20.030 19.082 22.238 . 0 0 "[ . 1 . 2]" 1
33 1 18 SER CB 1 88 LEU H . 14.900 22.900 17.102 16.245 19.223 . 0 0 "[ . 1 . 2]" 1
34 1 18 SER CB 1 89 SER H . 16.800 24.800 18.706 17.808 20.986 . 0 0 "[ . 1 . 2]" 1
35 1 18 SER CB 1 90 VAL H . 16.700 24.700 21.089 20.392 23.015 . 0 0 "[ . 1 . 2]" 1
36 1 18 SER CB 1 91 THR H . 16.800 24.800 19.012 18.382 20.634 . 0 0 "[ . 1 . 2]" 1
37 1 18 SER CB 1 92 SER H . 14.600 22.600 16.873 16.041 18.528 . 0 0 "[ . 1 . 2]" 1
38 1 18 SER CB 1 93 LYS H . 16.800 24.800 19.420 18.381 21.174 . 0 0 "[ . 1 . 2]" 1
39 1 18 SER CB 1 96 GLY H . 15.900 23.900 19.247 17.999 21.112 . 0 0 "[ . 1 . 2]" 1
40 1 18 SER CB 1 98 PHE H . 13.500 21.500 17.769 15.502 21.089 . 0 0 "[ . 1 . 2]" 1
41 1 18 SER CB 1 99 ALA H . 16.600 24.600 17.467 16.633 19.802 . 0 0 "[ . 1 . 2]" 1
42 1 18 SER CB 1 104 GLY H . 12.400 20.400 20.049 19.001 20.403 0.003 10 0 "[ . 1 . 2]" 1
43 1 18 SER CB 1 105 ALA H . 15.800 23.800 23.084 20.665 23.817 0.017 17 0 "[ . 1 . 2]" 1
44 1 18 SER CB 1 107 LEU H . 16.900 24.900 24.409 22.839 24.905 0.005 5 0 "[ . 1 . 2]" 1
45 1 19 GLY H 1 92 SER CB . 15.400 23.400 19.196 17.603 21.892 . 0 0 "[ . 1 . 2]" 1
46 1 21 ALA H 1 92 SER CB . 15.600 21.600 20.547 18.556 21.438 . 0 0 "[ . 1 . 2]" 1
47 1 22 ALA H 1 35 THR CB . 20.500 26.500 22.714 22.083 23.402 . 0 0 "[ . 1 . 2]" 1
48 1 22 ALA H 1 92 SER CB . 13.600 19.600 18.349 16.584 19.597 . 0 0 "[ . 1 . 2]" 1
49 1 23 VAL H 1 35 THR CB . 16.800 22.800 20.956 20.261 21.691 . 0 0 "[ . 1 . 2]" 1
50 1 24 ALA H 1 35 THR CB . 18.100 24.100 20.035 19.567 20.671 . 0 0 "[ . 1 . 2]" 1
51 1 25 ALA H 1 35 THR CB . 18.100 24.100 18.609 18.096 19.025 0.004 4 0 "[ . 1 . 2]" 1
52 1 25 ALA H 1 92 SER CB . 11.300 17.300 16.259 14.515 17.282 . 0 0 "[ . 1 . 2]" 1
53 1 26 VAL H 1 35 THR CB . 11.700 17.700 16.665 16.139 17.209 . 0 0 "[ . 1 . 2]" 1
54 1 26 VAL H 1 47 SER CB . 20.100 26.100 24.949 23.929 26.102 0.002 18 0 "[ . 1 . 2]" 1
55 1 27 VAL H 1 35 THR CB . 11.400 17.400 15.578 15.065 16.265 . 0 0 "[ . 1 . 2]" 1
56 1 27 VAL H 1 92 SER CB . 13.100 19.100 17.094 15.634 18.875 . 0 0 "[ . 1 . 2]" 1
57 1 30 VAL H 1 35 THR CB . 9.100 15.100 10.078 9.685 10.371 . 0 0 "[ . 1 . 2]" 1
58 1 30 VAL H 1 92 SER CB . 15.200 21.200 17.858 16.356 19.461 . 0 0 "[ . 1 . 2]" 1
59 1 32 ALA H 1 35 THR CB . . 13.500 6.195 5.860 6.468 . 0 0 "[ . 1 . 2]" 1
60 1 32 ALA H 1 47 SER CB . 14.300 20.300 18.493 18.253 18.895 . 0 0 "[ . 1 . 2]" 1
61 1 33 VAL H 1 35 THR CB . . 13.300 6.305 6.051 6.672 . 0 0 "[ . 1 . 2]" 1
62 1 33 VAL H 1 47 SER CB . 14.700 20.700 16.834 16.387 17.212 . 0 0 "[ . 1 . 2]" 1
63 1 33 VAL H 1 75 SER CB . 16.700 22.700 21.440 20.925 22.018 . 0 0 "[ . 1 . 2]" 1
64 1 33 VAL H 1 92 SER CB . 14.800 20.800 16.740 15.567 18.046 . 0 0 "[ . 1 . 2]" 1
65 1 34 GLY H 1 35 THR CB . . 12.000 5.052 4.987 5.129 . 0 0 "[ . 1 . 2]" 1
66 1 34 GLY H 1 47 SER CB . 14.200 20.200 14.748 14.334 15.109 . 0 0 "[ . 1 . 2]" 1
67 1 34 GLY H 1 75 SER CB . 16.600 22.600 20.972 20.480 21.268 . 0 0 "[ . 1 . 2]" 1
68 1 35 THR CB 1 37 LEU H . . 12.000 5.254 4.905 5.474 . 0 0 "[ . 1 . 2]" 1
69 1 35 THR CB 1 38 VAL H . . 12.000 5.356 4.913 5.698 . 0 0 "[ . 1 . 2]" 1
70 1 35 THR CB 1 40 LEU H . . 12.000 7.676 7.378 7.917 . 0 0 "[ . 1 . 2]" 1
71 1 35 THR CB 1 41 SER H . . 12.000 9.442 8.989 9.801 . 0 0 "[ . 1 . 2]" 1
72 1 35 THR CB 1 43 MET H . . 12.000 11.709 10.717 12.014 0.014 18 0 "[ . 1 . 2]" 1
73 1 35 THR CB 1 44 GLY H . 10.100 16.100 13.474 10.270 14.353 . 0 0 "[ . 1 . 2]" 1
74 1 35 THR CB 1 45 PHE H . 9.400 15.400 14.447 11.865 15.406 0.006 10 0 "[ . 1 . 2]" 1
75 1 35 THR CB 1 46 THR H . 9.800 15.800 15.134 13.965 15.816 0.016 19 0 "[ . 1 . 2]" 1
76 1 35 THR CB 1 47 SER H . 11.100 17.100 15.917 14.106 16.872 . 0 0 "[ . 1 . 2]" 1
77 1 35 THR CB 1 48 VAL H . 14.600 20.600 15.806 14.919 16.201 . 0 0 "[ . 1 . 2]" 1
78 1 35 THR CB 1 51 ALA H . 17.700 23.700 18.571 18.123 19.202 . 0 0 "[ . 1 . 2]" 1
79 1 35 THR CB 1 52 ALA H . . 21.900 20.175 18.919 20.625 . 0 0 "[ . 1 . 2]" 1
80 1 35 THR CB 1 53 SER H . 19.000 25.000 22.222 21.303 22.724 . 0 0 "[ . 1 . 2]" 1
81 1 35 THR CB 1 55 ILE H . 18.600 24.600 22.010 20.584 22.352 . 0 0 "[ . 1 . 2]" 1
82 1 35 THR CB 1 56 ALA H . 18.600 24.600 24.149 21.513 24.631 0.031 19 0 "[ . 1 . 2]" 1
83 1 35 THR CB 1 57 ALA H . 20.900 26.900 26.091 24.235 26.644 . 0 0 "[ . 1 . 2]" 1
84 1 35 THR CB 1 71 VAL H . 19.100 25.100 22.643 20.700 25.092 . 0 0 "[ . 1 . 2]" 1
85 1 35 THR CB 1 72 ALA H . 19.800 25.800 21.147 20.034 23.759 . 0 0 "[ . 1 . 2]" 1
86 1 35 THR CB 1 73 ALA H . 18.900 24.900 21.438 19.765 24.686 . 0 0 "[ . 1 . 2]" 1
87 1 35 THR CB 1 74 GLY H . 17.200 23.200 21.987 19.967 23.211 0.011 14 0 "[ . 1 . 2]" 1
88 1 35 THR CB 1 75 SER H . 16.900 22.900 21.465 20.505 21.890 . 0 0 "[ . 1 . 2]" 1
89 1 35 THR H 1 75 SER CB . 14.600 20.600 20.502 20.068 20.664 0.064 10 0 "[ . 1 . 2]" 1
90 1 35 THR CB 1 76 LEU H . 16.700 22.700 18.856 17.979 19.464 . 0 0 "[ . 1 . 2]" 1
91 1 35 THR CB 1 77 VAL H . 16.500 22.500 19.438 18.801 20.269 . 0 0 "[ . 1 . 2]" 1
92 1 35 THR CB 1 78 ALA H . 16.900 22.900 19.723 19.254 20.215 . 0 0 "[ . 1 . 2]" 1
93 1 35 THR CB 1 80 LEU H . 16.400 22.400 16.383 16.369 16.396 0.031 15 0 "[ . 1 . 2]" 1
94 1 35 THR CB 1 81 GLN H . 16.900 22.900 18.027 17.934 18.263 . 0 0 "[ . 1 . 2]" 1
95 1 35 THR CB 1 82 SER H . 14.700 20.700 17.717 17.392 18.234 . 0 0 "[ . 1 . 2]" 1
96 1 35 THR CB 1 83 VAL H . 12.600 18.600 14.836 14.508 15.432 . 0 0 "[ . 1 . 2]" 1
97 1 35 THR CB 1 84 GLY H . 13.300 19.300 15.202 14.527 15.677 . 0 0 "[ . 1 . 2]" 1
98 1 35 THR CB 1 85 ALA H . 15.000 21.000 17.290 16.424 17.864 . 0 0 "[ . 1 . 2]" 1
99 1 35 THR CB 1 86 ALA H . 15.900 21.900 16.924 16.122 17.609 . 0 0 "[ . 1 . 2]" 1
100 1 35 THR CB 1 87 GLY H . 12.300 18.300 14.040 13.301 14.692 . 0 0 "[ . 1 . 2]" 1
101 1 35 THR CB 1 88 LEU H . 8.600 14.600 14.417 14.022 14.617 0.017 15 0 "[ . 1 . 2]" 1
102 1 35 THR CB 1 89 SER H . 10.800 16.800 16.119 15.711 16.625 . 0 0 "[ . 1 . 2]" 1
103 1 35 THR CB 1 90 VAL H . 11.000 17.000 15.598 14.921 16.508 . 0 0 "[ . 1 . 2]" 1
104 1 35 THR CB 1 91 THR H . 12.100 18.100 14.378 14.060 14.967 . 0 0 "[ . 1 . 2]" 1
105 1 35 THR CB 1 92 SER H . 14.800 20.800 16.118 15.642 16.592 . 0 0 "[ . 1 . 2]" 1
106 1 35 THR CB 1 93 LYS H . 17.300 23.300 17.729 17.316 18.450 . 0 0 "[ . 1 . 2]" 1
107 1 35 THR CB 1 95 ILE H . 15.800 21.800 17.080 16.730 17.970 . 0 0 "[ . 1 . 2]" 1
108 1 35 THR CB 1 96 GLY H . 19.500 25.500 19.701 19.491 20.524 0.009 8 0 "[ . 1 . 2]" 1
109 1 35 THR CB 1 97 GLY H . 18.500 24.500 21.804 21.143 23.218 . 0 0 "[ . 1 . 2]" 1
110 1 35 THR CB 1 99 ALA H . 16.600 24.600 24.020 22.742 24.601 0.000 4 0 "[ . 1 . 2]" 1
111 1 35 THR CB 1 103 LEU H . 11.800 19.800 19.433 17.126 19.803 0.003 10 0 "[ . 1 . 2]" 1
112 1 35 THR CB 1 104 GLY H . 12.500 20.500 18.732 15.901 20.516 0.016 7 0 "[ . 1 . 2]" 1
113 1 35 THR CB 1 105 ALA H . 16.500 24.500 20.166 16.653 24.490 . 0 0 "[ . 1 . 2]" 1
114 1 35 THR CB 1 107 LEU H . 15.600 23.600 19.685 15.787 22.989 . 0 0 "[ . 1 . 2]" 1
115 1 35 THR CB 1 108 GLY H . 14.800 22.800 21.935 19.707 22.803 0.003 19 0 "[ . 1 . 2]" 1
116 1 36 VAL H 1 47 SER CB . 8.600 14.600 13.842 13.501 14.330 . 0 0 "[ . 1 . 2]" 1
117 1 36 VAL H 1 75 SER CB . 12.800 18.800 18.222 17.754 18.582 . 0 0 "[ . 1 . 2]" 1
118 1 36 VAL H 1 92 SER CB . 15.300 21.300 17.211 16.680 17.960 . 0 0 "[ . 1 . 2]" 1
119 1 37 LEU H 1 47 SER CB . . 12.000 11.783 11.136 12.009 0.009 13 0 "[ . 1 . 2]" 1
120 1 37 LEU H 1 75 SER CB . 10.600 16.600 16.480 16.078 16.585 . 0 0 "[ . 1 . 2]" 1
121 1 38 VAL H 1 47 SER CB . . 12.000 9.546 9.083 10.400 . 0 0 "[ . 1 . 2]" 1
122 1 38 VAL H 1 75 SER CB . 11.000 17.000 16.775 16.555 16.967 . 0 0 "[ . 1 . 2]" 1
123 1 39 ALA H 1 47 SER CB . . 12.000 10.040 9.489 11.220 . 0 0 "[ . 1 . 2]" 1
124 1 39 ALA H 1 75 SER CB . 8.700 15.400 15.407 15.278 15.428 0.028 18 0 "[ . 1 . 2]" 1
125 1 40 LEU H 1 47 SER CB . . 12.000 9.795 9.013 11.018 . 0 0 "[ . 1 . 2]" 1
126 1 40 LEU H 1 75 SER CB . 10.600 16.600 12.791 12.457 13.101 . 0 0 "[ . 1 . 2]" 1
127 1 41 SER H 1 47 SER CB . . 12.000 7.404 6.543 8.245 . 0 0 "[ . 1 . 2]" 1
128 1 41 SER H 1 75 SER CB . 10.600 16.600 12.284 11.675 13.266 . 0 0 "[ . 1 . 2]" 1
129 1 42 ALA H 1 47 SER CB . . 12.000 6.086 4.786 8.444 . 0 0 "[ . 1 . 2]" 1
130 1 42 ALA H 1 75 SER CB . 11.700 17.700 13.793 13.055 14.477 . 0 0 "[ . 1 . 2]" 1
131 1 43 MET H 1 47 SER CB . . 12.000 7.449 5.275 11.075 . 0 0 "[ . 1 . 2]" 1
132 1 43 MET H 1 75 SER CB . 9.700 15.700 12.846 11.182 15.509 . 0 0 "[ . 1 . 2]" 1
133 1 44 GLY H 1 47 SER CB . . 12.000 7.535 5.705 10.116 . 0 0 "[ . 1 . 2]" 1
134 1 44 GLY H 1 75 SER CB . 10.000 16.000 13.270 10.447 15.701 . 0 0 "[ . 1 . 2]" 1
135 1 45 PHE H 1 47 SER CB . . 12.000 6.965 5.806 9.203 . 0 0 "[ . 1 . 2]" 1
136 1 45 PHE H 1 75 SER CB . 10.900 16.900 14.423 10.902 16.861 . 0 0 "[ . 1 . 2]" 1
137 1 46 THR H 1 75 SER CB . 12.800 18.800 15.549 12.838 18.843 0.043 13 0 "[ . 1 . 2]" 1
138 1 47 SER CB 1 48 VAL H . . 12.000 3.106 2.365 3.625 . 0 0 "[ . 1 . 2]" 1
139 1 47 SER CB 1 49 GLY H . . 12.000 6.288 5.940 6.556 . 0 0 "[ . 1 . 2]" 1
140 1 47 SER CB 1 50 ILE H . . 12.000 5.892 5.502 6.905 . 0 0 "[ . 1 . 2]" 1
141 1 47 SER CB 1 51 ALA H . . 12.000 4.705 3.553 5.037 . 0 0 "[ . 1 . 2]" 1
142 1 47 SER CB 1 53 SER H . . 12.000 8.485 7.276 9.009 . 0 0 "[ . 1 . 2]" 1
143 1 47 SER CB 1 54 SER H . . 12.000 8.942 7.360 9.542 . 0 0 "[ . 1 . 2]" 1
144 1 47 SER CB 1 55 ILE H . . 14.000 9.620 7.415 10.543 . 0 0 "[ . 1 . 2]" 1
145 1 47 SER CB 1 56 ALA H . . 14.000 11.619 8.944 12.438 . 0 0 "[ . 1 . 2]" 1
146 1 47 SER CB 1 57 ALA H . . 14.000 13.300 11.247 13.918 . 0 0 "[ . 1 . 2]" 1
147 1 47 SER CB 1 58 LYS H . 10.600 16.600 14.119 12.123 14.908 . 0 0 "[ . 1 . 2]" 1
148 1 47 SER CB 1 59 MET H . 10.500 18.500 16.223 14.011 18.549 0.049 6 0 "[ . 1 . 2]" 1
149 1 47 SER CB 1 60 MET H . 12.800 20.800 17.821 12.857 20.160 . 0 0 "[ . 1 . 2]" 1
150 1 47 SER CB 1 61 SER H . 14.300 22.300 18.750 14.312 21.227 . 0 0 "[ . 1 . 2]" 1
151 1 47 SER CB 1 62 THR H . 16.300 24.300 19.522 16.588 22.577 . 0 0 "[ . 1 . 2]" 1
152 1 47 SER CB 1 63 ALA H . 14.600 22.600 19.300 15.760 22.098 . 0 0 "[ . 1 . 2]" 1
153 1 47 SER CB 1 64 ALA H . 14.800 22.800 19.641 15.496 22.350 . 0 0 "[ . 1 . 2]" 1
154 1 47 SER CB 1 65 ILE H . 16.900 24.900 20.282 17.114 24.130 . 0 0 "[ . 1 . 2]" 1
155 1 47 SER CB 1 66 ALA H . 16.700 24.700 21.426 18.187 24.698 . 0 0 "[ . 1 . 2]" 1
156 1 47 SER CB 1 67 ASN H . 17.500 25.500 22.641 18.955 25.501 0.001 8 0 "[ . 1 . 2]" 1
157 1 47 SER CB 1 68 GLY H . 18.800 26.800 22.784 19.449 25.465 . 0 0 "[ . 1 . 2]" 1
158 1 47 SER CB 1 69 GLY H . 18.600 26.600 21.320 18.617 24.066 . 0 0 "[ . 1 . 2]" 1
159 1 47 SER CB 1 70 GLY H . 16.700 24.700 19.960 16.773 22.968 . 0 0 "[ . 1 . 2]" 1
160 1 47 SER CB 1 71 VAL H . 12.500 20.500 19.153 17.159 20.485 . 0 0 "[ . 1 . 2]" 1
161 1 47 SER CB 1 72 ALA H . 11.800 19.800 18.480 16.932 19.769 . 0 0 "[ . 1 . 2]" 1
162 1 47 SER CB 1 73 ALA H . 13.500 21.500 17.798 15.057 21.072 . 0 0 "[ . 1 . 2]" 1
163 1 47 SER CB 1 74 GLY H . 14.700 20.700 17.595 14.938 19.981 . 0 0 "[ . 1 . 2]" 1
164 1 47 SER CB 1 75 SER H . 14.600 20.600 16.011 15.191 17.112 . 0 0 "[ . 1 . 2]" 1
165 1 47 SER H 1 75 SER CB . 15.600 21.600 16.752 15.603 18.486 . 0 0 "[ . 1 . 2]" 1
166 1 47 SER CB 1 76 LEU H . 14.100 20.100 14.594 14.097 15.722 0.003 17 0 "[ . 1 . 2]" 1
167 1 47 SER CB 1 77 VAL H . 15.000 21.000 16.874 16.236 18.229 . 0 0 "[ . 1 . 2]" 1
168 1 47 SER CB 1 78 ALA H . 13.800 19.800 18.127 17.336 18.994 . 0 0 "[ . 1 . 2]" 1
169 1 47 SER CB 1 79 ILE H . 14.900 20.900 16.691 16.114 17.323 . 0 0 "[ . 1 . 2]" 1
170 1 47 SER CB 1 80 LEU H . 12.600 18.600 17.239 16.711 17.792 . 0 0 "[ . 1 . 2]" 1
171 1 47 SER CB 1 81 GLN H . 16.000 22.000 19.900 19.321 20.570 . 0 0 "[ . 1 . 2]" 1
172 1 47 SER CB 1 82 SER H . 15.800 21.800 20.516 20.029 20.973 . 0 0 "[ . 1 . 2]" 1
173 1 47 SER CB 1 83 VAL H . 14.800 20.800 18.898 18.425 19.320 . 0 0 "[ . 1 . 2]" 1
174 1 47 SER CB 1 84 GLY H . 16.600 22.600 20.153 19.552 20.481 . 0 0 "[ . 1 . 2]" 1
175 1 47 SER CB 1 85 ALA H . 18.700 24.700 23.086 22.413 23.527 . 0 0 "[ . 1 . 2]" 1
176 1 47 SER CB 1 87 GLY H . 16.700 22.700 21.767 21.266 22.210 . 0 0 "[ . 1 . 2]" 1
177 1 47 SER CB 1 88 LEU H . 17.100 23.100 23.112 23.038 23.138 0.038 8 0 "[ . 1 . 2]" 1
178 1 47 SER CB 1 89 SER H . 20.100 26.100 25.295 24.990 25.596 . 0 0 "[ . 1 . 2]" 1
179 1 47 SER CB 1 90 VAL H . 20.700 26.700 25.581 24.936 26.296 . 0 0 "[ . 1 . 2]" 1
180 1 47 SER CB 1 91 THR H . 20.700 26.700 25.308 24.845 25.752 . 0 0 "[ . 1 . 2]" 1
181 1 47 SER CB 1 92 SER H . 21.600 27.600 27.419 27.184 27.625 0.025 19 0 "[ . 1 . 2]" 1
182 1 48 VAL H 1 75 SER CB . 13.900 21.900 18.139 17.438 19.530 . 0 0 "[ . 1 . 2]" 1
183 1 49 GLY H 1 75 SER CB . 14.700 22.700 20.455 19.426 21.519 . 0 0 "[ . 1 . 2]" 1
184 1 50 ILE H 1 75 SER CB . 13.500 21.500 18.141 17.102 20.078 . 0 0 "[ . 1 . 2]" 1
185 1 51 ALA H 1 75 SER CB . 12.700 20.700 17.125 16.719 17.494 . 0 0 "[ . 1 . 2]" 1
186 1 52 ALA H 1 75 SER CB . 15.500 23.500 19.404 18.681 19.788 . 0 0 "[ . 1 . 2]" 1
187 1 53 SER H 1 75 SER CB . 14.500 22.500 19.168 18.306 19.607 . 0 0 "[ . 1 . 2]" 1
188 1 54 SER H 1 75 SER CB . 10.800 18.800 17.494 16.461 18.044 . 0 0 "[ . 1 . 2]" 1
189 1 55 ILE H 1 75 SER CB . 14.600 22.600 18.560 17.299 19.706 . 0 0 "[ . 1 . 2]" 1
190 1 56 ALA H 1 75 SER CB . 13.600 21.600 20.981 19.675 21.601 0.001 20 0 "[ . 1 . 2]" 1
191 1 57 ALA H 1 75 SER CB . 13.700 21.700 20.657 19.019 21.402 . 0 0 "[ . 1 . 2]" 1
192 1 58 LYS H 1 75 SER CB . 12.600 20.600 19.778 18.105 20.644 0.044 15 0 "[ . 1 . 2]" 1
193 1 60 MET H 1 75 SER CB . 15.700 23.700 19.726 16.792 22.832 . 0 0 "[ . 1 . 2]" 1
194 1 62 THR H 1 75 SER CB . 13.800 21.800 17.058 13.806 20.227 . 0 0 "[ . 1 . 2]" 1
195 1 62 THR H 1 82 SER CB . 21.400 29.400 26.273 23.517 28.987 . 0 0 "[ . 1 . 2]" 1
196 1 63 ALA H 1 75 SER CB . 10.900 18.900 15.317 11.124 17.546 . 0 0 "[ . 1 . 2]" 1
197 1 64 ALA H 1 75 SER CB . 9.600 17.600 13.799 10.525 17.092 . 0 0 "[ . 1 . 2]" 1
198 1 65 ILE H 1 75 SER CB . 9.200 17.200 12.358 9.203 16.347 . 0 0 "[ . 1 . 2]" 1
199 1 66 ALA H 1 75 SER CB . 6.300 14.300 11.773 8.937 13.925 . 0 0 "[ . 1 . 2]" 1
200 1 67 ASN H 1 75 SER CB . 6.200 14.200 11.973 10.272 14.015 . 0 0 "[ . 1 . 2]" 1
201 1 68 GLY H 1 75 SER CB . . 14.000 11.806 6.677 13.949 . 0 0 "[ . 1 . 2]" 1
202 1 69 GLY H 1 75 SER CB . . 14.000 11.751 8.030 13.996 . 0 0 "[ . 1 . 2]" 1
203 1 70 GLY H 1 75 SER CB . . 14.000 12.108 9.031 13.987 . 0 0 "[ . 1 . 2]" 1
204 1 72 ALA H 1 75 SER CB . 6.800 14.800 11.344 9.708 12.874 . 0 0 "[ . 1 . 2]" 1
205 1 73 ALA H 1 75 SER CB . . 14.000 8.568 7.503 10.109 . 0 0 "[ . 1 . 2]" 1
206 1 74 GLY H 1 75 SER CB . . 14.000 5.950 4.997 6.598 . 0 0 "[ . 1 . 2]" 1
207 1 74 GLY H 1 82 SER CB . . 14.000 13.101 12.485 13.869 . 0 0 "[ . 1 . 2]" 1
208 1 75 SER CB 1 77 VAL H . . 12.000 5.094 4.735 5.523 . 0 0 "[ . 1 . 2]" 1
209 1 75 SER CB 1 78 ALA H . . 12.000 4.838 4.716 5.013 . 0 0 "[ . 1 . 2]" 1
210 1 75 SER CB 1 80 LEU H . . 12.000 7.697 7.538 7.828 . 0 0 "[ . 1 . 2]" 1
211 1 75 SER CB 1 81 GLN H . . 12.000 9.276 8.862 9.743 . 0 0 "[ . 1 . 2]" 1
212 1 75 SER CB 1 82 SER H . . 12.000 10.068 9.811 10.363 . 0 0 "[ . 1 . 2]" 1
213 1 75 SER H 1 82 SER CB . 8.100 14.100 12.506 12.000 13.022 . 0 0 "[ . 1 . 2]" 1
214 1 75 SER CB 1 83 VAL H . 7.600 13.600 10.922 10.588 11.186 . 0 0 "[ . 1 . 2]" 1
215 1 75 SER CB 1 84 GLY H . 8.500 14.500 12.442 12.137 12.690 . 0 0 "[ . 1 . 2]" 1
216 1 75 SER CB 1 85 ALA H . 9.100 15.100 14.605 13.823 14.965 . 0 0 "[ . 1 . 2]" 1
217 1 75 SER CB 1 87 GLY H . 11.800 17.800 15.877 15.736 16.159 . 0 0 "[ . 1 . 2]" 1
218 1 75 SER CB 1 88 LEU H . 16.700 22.700 17.845 17.476 18.006 . 0 0 "[ . 1 . 2]" 1
219 1 75 SER CB 1 89 SER H . 18.900 24.900 19.462 19.193 19.632 . 0 0 "[ . 1 . 2]" 1
220 1 75 SER CB 1 90 VAL H . 20.400 26.400 20.641 20.420 20.881 . 0 0 "[ . 1 . 2]" 1
221 1 75 SER CB 1 91 THR H . 20.700 26.700 21.597 21.464 21.748 . 0 0 "[ . 1 . 2]" 1
222 1 75 SER CB 1 92 SER H . 22.700 28.700 23.734 23.383 23.875 . 0 0 "[ . 1 . 2]" 1
223 1 76 LEU H 1 82 SER CB . . 12.000 10.990 10.520 11.367 . 0 0 "[ . 1 . 2]" 1
224 1 77 VAL H 1 82 SER CB . . 12.000 9.939 9.367 10.348 . 0 0 "[ . 1 . 2]" 1
225 1 78 ALA H 1 82 SER CB . . 12.000 7.741 7.125 8.169 . 0 0 "[ . 1 . 2]" 1
226 1 80 LEU H 1 82 SER CB . . 12.000 6.236 5.451 6.921 . 0 0 "[ . 1 . 2]" 1
227 1 80 LEU H 1 92 SER CB . 15.600 21.600 18.335 17.604 18.589 . 0 0 "[ . 1 . 2]" 1
228 1 81 GLN H 1 92 SER CB . 14.400 20.400 17.191 16.642 17.409 . 0 0 "[ . 1 . 2]" 1
229 1 82 SER CB 1 83 VAL H . . 12.000 2.663 2.620 2.722 . 0 0 "[ . 1 . 2]" 1
230 1 82 SER CB 1 84 GLY H . . 12.000 4.611 4.408 5.379 . 0 0 "[ . 1 . 2]" 1
231 1 82 SER CB 1 85 ALA H . . 12.000 5.375 4.728 5.766 . 0 0 "[ . 1 . 2]" 1
232 1 82 SER CB 1 87 GLY H . . 12.000 6.167 5.900 7.087 . 0 0 "[ . 1 . 2]" 1
233 1 82 SER CB 1 88 LEU H . . 12.000 8.758 8.584 9.061 . 0 0 "[ . 1 . 2]" 1
234 1 82 SER CB 1 89 SER H . . 12.000 9.326 9.084 9.574 . 0 0 "[ . 1 . 2]" 1
235 1 82 SER CB 1 90 VAL H . . 12.000 10.280 9.884 10.713 . 0 0 "[ . 1 . 2]" 1
236 1 82 SER CB 1 91 THR H . 6.600 12.600 11.873 11.519 12.348 . 0 0 "[ . 1 . 2]" 1
237 1 82 SER CB 1 92 SER H . 8.600 14.600 14.173 13.920 14.490 . 0 0 "[ . 1 . 2]" 1
238 1 82 SER CB 1 93 LYS H . 9.000 15.000 14.810 14.565 15.040 0.040 19 0 "[ . 1 . 2]" 1
239 1 82 SER CB 1 94 VAL H . 10.400 16.400 15.885 15.351 16.209 . 0 0 "[ . 1 . 2]" 1
240 1 82 SER CB 1 95 ILE H . 16.100 22.100 17.796 17.445 18.177 . 0 0 "[ . 1 . 2]" 1
241 1 82 SER CB 1 96 GLY H . 14.800 20.800 19.468 19.110 19.693 . 0 0 "[ . 1 . 2]" 1
242 1 82 SER CB 1 97 GLY H . 14.900 20.900 20.038 19.068 20.906 0.006 10 0 "[ . 1 . 2]" 1
243 1 82 SER CB 1 98 PHE H . 16.600 22.600 21.466 19.683 22.654 0.054 15 0 "[ . 1 . 2]" 1
244 1 84 GLY H 1 92 SER CB . 7.800 13.800 13.286 13.046 13.447 . 0 0 "[ . 1 . 2]" 1
245 1 85 ALA H 1 92 SER CB . 7.000 13.000 11.716 11.577 11.898 . 0 0 "[ . 1 . 2]" 1
246 1 87 GLY H 1 92 SER CB . 6.300 12.300 10.205 10.052 10.298 . 0 0 "[ . 1 . 2]" 1
247 1 88 LEU H 1 109 SER CB . 15.600 21.600 21.146 20.142 21.583 . 0 0 "[ . 1 . 2]" 1
248 1 89 SER H 1 109 SER CB . 13.900 19.900 19.227 17.880 19.845 . 0 0 "[ . 1 . 2]" 1
249 1 90 VAL H 1 92 SER CB . 7.200 13.200 7.108 7.039 7.145 0.161 15 0 "[ . 1 . 2]" 1
250 1 90 VAL H 1 109 SER CB . 12.500 20.500 17.344 15.829 18.570 . 0 0 "[ . 1 . 2]" 1
251 1 91 THR H 1 109 SER CB . 10.400 18.400 16.663 15.585 17.457 . 0 0 "[ . 1 . 2]" 1
252 1 92 SER CB 1 96 GLY H . . 12.000 4.483 4.316 5.033 . 0 0 "[ . 1 . 2]" 1
253 1 92 SER CB 1 97 GLY H . . 12.000 5.021 3.994 6.908 . 0 0 "[ . 1 . 2]" 1
254 1 92 SER CB 1 98 PHE H . . 12.000 6.080 4.024 7.670 . 0 0 "[ . 1 . 2]" 1
255 1 92 SER CB 1 99 ALA H . . 14.000 8.177 6.125 10.571 . 0 0 "[ . 1 . 2]" 1
256 1 92 SER CB 1 100 GLY H . . 14.000 10.802 7.058 13.282 . 0 0 "[ . 1 . 2]" 1
257 1 92 SER CB 1 104 GLY H . 10.600 18.600 12.681 11.290 13.927 . 0 0 "[ . 1 . 2]" 1
258 1 92 SER CB 1 105 ALA H . 15.600 23.600 15.855 15.601 16.215 . 0 0 "[ . 1 . 2]" 1
259 1 93 LYS H 1 109 SER CB . 11.600 19.600 13.701 12.625 14.239 . 0 0 "[ . 1 . 2]" 1
260 1 95 ILE H 1 109 SER CB . 7.900 15.900 11.508 10.632 12.105 . 0 0 "[ . 1 . 2]" 1
261 1 96 GLY H 1 109 SER CB . 7.700 15.700 10.607 9.704 11.485 . 0 0 "[ . 1 . 2]" 1
262 1 99 ALA H 1 109 SER CB . . 14.000 12.585 9.382 14.000 0.000 9 0 "[ . 1 . 2]" 1
263 1 103 LEU H 1 109 SER CB . . 14.000 12.804 8.299 14.002 0.002 10 0 "[ . 1 . 2]" 1
264 1 104 GLY H 1 109 SER CB . . 14.000 13.211 10.689 13.990 . 0 0 "[ . 1 . 2]" 1
265 1 105 ALA H 1 109 SER CB . . 14.000 13.496 11.140 14.003 0.003 13 0 "[ . 1 . 2]" 1
266 1 109 SER CB 1 112 SER H . . 14.000 7.237 5.876 8.556 . 0 0 "[ . 1 . 2]" 1
267 1 109 SER CB 1 113 SER H . 6.100 14.100 9.849 6.235 11.737 . 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 233
_Distance_constraint_stats_list.Viol_count 83
_Distance_constraint_stats_list.Viol_total 16.907
_Distance_constraint_stats_list.Viol_max 0.047
_Distance_constraint_stats_list.Viol_rms 0.0018
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0102
_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 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 GLU 0.001 0.001 5 0 "[ . 1 . 2]"
1 14 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 SER 0.136 0.028 13 0 "[ . 1 . 2]"
1 19 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 VAL 0.001 0.001 19 0 "[ . 1 . 2]"
1 27 VAL 0.038 0.010 16 0 "[ . 1 . 2]"
1 28 GLY 0.007 0.007 10 0 "[ . 1 . 2]"
1 29 GLY 0.028 0.007 17 0 "[ . 1 . 2]"
1 30 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 THR 0.255 0.047 19 0 "[ . 1 . 2]"
1 36 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 SER 0.038 0.010 16 0 "[ . 1 . 2]"
1 48 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLY 0.231 0.047 19 0 "[ . 1 . 2]"
1 50 ILE 0.161 0.022 18 0 "[ . 1 . 2]"
1 51 ALA 0.037 0.008 16 0 "[ . 1 . 2]"
1 52 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 SER 0.025 0.023 19 0 "[ . 1 . 2]"
1 55 ILE 0.022 0.014 8 0 "[ . 1 . 2]"
1 56 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 SER 0.162 0.036 18 0 "[ . 1 . 2]"
1 76 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 SER 0.220 0.022 18 0 "[ . 1 . 2]"
1 83 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 LYS 0.161 0.036 18 0 "[ . 1 . 2]"
1 95 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 ALA 0.136 0.028 13 0 "[ . 1 . 2]"
1 104 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 SER 0.036 0.007 10 0 "[ . 1 . 2]"
1 112 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 SER 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 11 GLY H 1 35 THR CB . 25.000 . 29.043 25.334 35.939 . 0 0 "[ . 1 . 2]" 2
2 1 11 GLY H 1 47 SER CB . 25.000 . 36.671 30.700 42.710 . 0 0 "[ . 1 . 2]" 2
3 1 11 GLY H 1 75 SER CB . 22.800 . 31.048 23.042 36.505 . 0 0 "[ . 1 . 2]" 2
4 1 11 GLY H 1 109 SER CB . 20.300 . 28.082 20.420 41.745 . 0 0 "[ . 1 . 2]" 2
5 1 12 LYS H 1 35 THR CB . 25.000 . 29.852 25.618 33.488 . 0 0 "[ . 1 . 2]" 2
6 1 12 LYS H 1 47 SER CB . 22.700 . 37.320 33.376 41.329 . 0 0 "[ . 1 . 2]" 2
7 1 12 LYS H 1 75 SER CB . 25.000 . 31.100 25.450 36.656 . 0 0 "[ . 1 . 2]" 2
8 1 12 LYS H 1 109 SER CB . 20.500 . 28.648 21.969 40.864 . 0 0 "[ . 1 . 2]" 2
9 1 13 GLU H 1 35 THR CB . 24.400 . 29.774 25.297 33.085 . 0 0 "[ . 1 . 2]" 2
10 1 13 GLU H 1 47 SER CB . 24.500 . 36.957 32.718 41.847 . 0 0 "[ . 1 . 2]" 2
11 1 13 GLU H 1 75 SER CB . 22.800 . 30.388 23.993 36.997 . 0 0 "[ . 1 . 2]" 2
12 1 13 GLU H 1 109 SER CB . 25.000 . 29.247 24.999 39.716 0.001 5 0 "[ . 1 . 2]" 2
13 1 14 SER H 1 35 THR CB . 20.800 . 29.327 24.683 32.390 . 0 0 "[ . 1 . 2]" 2
14 1 14 SER H 1 47 SER CB . 25.000 . 36.182 31.933 40.392 . 0 0 "[ . 1 . 2]" 2
15 1 14 SER H 1 109 SER CB . 25.000 . 29.670 25.238 38.156 . 0 0 "[ . 1 . 2]" 2
16 1 15 GLY H 1 35 THR CB . 25.000 . 27.994 25.107 30.891 . 0 0 "[ . 1 . 2]" 2
17 1 15 GLY H 1 47 SER CB . 23.000 . 34.766 31.289 38.172 . 0 0 "[ . 1 . 2]" 2
18 1 15 GLY H 1 75 SER CB . 22.900 . 28.012 23.703 31.680 . 0 0 "[ . 1 . 2]" 2
19 1 15 GLY H 1 109 SER CB . 17.400 . 29.256 24.740 33.810 . 0 0 "[ . 1 . 2]" 2
20 1 16 TRP H 1 35 THR CB . 25.000 . 26.828 25.138 28.945 . 0 0 "[ . 1 . 2]" 2
21 1 16 TRP H 1 47 SER CB . 21.900 . 33.737 30.441 36.201 . 0 0 "[ . 1 . 2]" 2
22 1 16 TRP H 1 75 SER CB . 25.000 . 27.662 25.236 29.920 . 0 0 "[ . 1 . 2]" 2
23 1 16 TRP H 1 109 SER CB . 19.300 . 28.920 24.157 33.368 . 0 0 "[ . 1 . 2]" 2
24 1 17 ASP H 1 47 SER CB . 24.500 . 33.114 29.939 36.615 . 0 0 "[ . 1 . 2]" 2
25 1 17 ASP H 1 75 SER CB . 21.500 . 28.197 24.234 31.370 . 0 0 "[ . 1 . 2]" 2
26 1 17 ASP H 1 109 SER CB . 17.500 . 28.903 25.443 32.249 . 0 0 "[ . 1 . 2]" 2
27 1 18 SER CB 1 38 VAL H . 20.800 . 23.986 23.141 24.808 . 0 0 "[ . 1 . 2]" 2
28 1 18 SER CB 1 41 SER H . 24.900 . 25.463 24.912 26.814 . 0 0 "[ . 1 . 2]" 2
29 1 18 SER CB 1 42 ALA H . 25.000 . 28.035 27.246 29.131 . 0 0 "[ . 1 . 2]" 2
30 1 18 SER CB 1 43 MET H . 20.900 . 30.347 27.943 32.649 . 0 0 "[ . 1 . 2]" 2
31 1 18 SER CB 1 44 GLY H . 25.000 . 32.389 30.090 33.803 . 0 0 "[ . 1 . 2]" 2
32 1 18 SER CB 1 45 PHE H . 25.000 . 33.652 30.857 36.630 . 0 0 "[ . 1 . 2]" 2
33 1 18 SER CB 1 46 THR H . 24.800 . 34.233 31.670 36.899 . 0 0 "[ . 1 . 2]" 2
34 1 18 SER CB 1 47 SER H . 25.000 . 33.779 30.713 35.610 . 0 0 "[ . 1 . 2]" 2
35 1 18 SER H 1 47 SER CB . 23.700 . 31.966 28.635 34.533 . 0 0 "[ . 1 . 2]" 2
36 1 18 SER CB 1 48 VAL H . 21.600 . 33.544 31.192 35.232 . 0 0 "[ . 1 . 2]" 2
37 1 18 SER CB 1 49 GLY H . 22.500 . 36.509 34.126 37.919 . 0 0 "[ . 1 . 2]" 2
38 1 18 SER CB 1 50 ILE H . 25.000 . 36.097 33.222 37.731 . 0 0 "[ . 1 . 2]" 2
39 1 18 SER CB 1 51 ALA H . 24.200 . 33.542 30.611 34.967 . 0 0 "[ . 1 . 2]" 2
40 1 18 SER CB 1 52 ALA H . 25.000 . 34.553 31.831 36.280 . 0 0 "[ . 1 . 2]" 2
41 1 18 SER CB 1 53 SER H . 25.000 . 35.670 32.742 37.488 . 0 0 "[ . 1 . 2]" 2
42 1 18 SER CB 1 54 SER H . 25.000 . 34.347 30.952 36.153 . 0 0 "[ . 1 . 2]" 2
43 1 18 SER CB 1 55 ILE H . 25.000 . 32.863 29.706 34.962 . 0 0 "[ . 1 . 2]" 2
44 1 18 SER CB 1 56 ALA H . 25.000 . 34.888 30.076 37.335 . 0 0 "[ . 1 . 2]" 2
45 1 18 SER CB 1 57 ALA H . 24.900 . 35.802 31.338 38.328 . 0 0 "[ . 1 . 2]" 2
46 1 18 SER CB 1 58 LYS H . 25.000 . 33.840 29.643 36.284 . 0 0 "[ . 1 . 2]" 2
47 1 18 SER CB 1 59 MET H . 25.000 . 32.835 28.080 37.132 . 0 0 "[ . 1 . 2]" 2
48 1 18 SER CB 1 60 MET H . 25.000 . 32.497 28.137 36.127 . 0 0 "[ . 1 . 2]" 2
49 1 18 SER CB 1 61 SER H . 25.000 . 32.049 25.231 38.506 . 0 0 "[ . 1 . 2]" 2
50 1 18 SER CB 1 62 THR H . 25.000 . 31.863 26.210 37.040 . 0 0 "[ . 1 . 2]" 2
51 1 18 SER CB 1 63 ALA H . 25.000 . 31.830 26.944 39.938 . 0 0 "[ . 1 . 2]" 2
52 1 18 SER CB 1 64 ALA H . 25.000 . 32.060 26.168 36.801 . 0 0 "[ . 1 . 2]" 2
53 1 18 SER CB 1 65 ILE H . 24.100 . 32.561 28.185 37.022 . 0 0 "[ . 1 . 2]" 2
54 1 18 SER CB 1 66 ALA H . 22.700 . 32.100 29.745 34.558 . 0 0 "[ . 1 . 2]" 2
55 1 18 SER CB 1 67 ASN H . 25.000 . 31.448 28.696 33.623 . 0 0 "[ . 1 . 2]" 2
56 1 18 SER CB 1 68 GLY H . 25.000 . 29.206 27.593 31.146 . 0 0 "[ . 1 . 2]" 2
57 1 18 SER CB 1 69 GLY H . 25.000 . 26.889 25.649 29.073 . 0 0 "[ . 1 . 2]" 2
58 1 18 SER CB 1 70 GLY H . 25.000 . 25.387 25.027 26.006 . 0 0 "[ . 1 . 2]" 2
59 1 18 SER CB 1 74 GLY H . 23.300 . 25.384 23.374 27.347 . 0 0 "[ . 1 . 2]" 2
60 1 18 SER CB 1 75 SER H . 23.700 . 28.043 25.694 29.636 . 0 0 "[ . 1 . 2]" 2
61 1 18 SER H 1 75 SER CB . 24.500 . 28.455 25.631 31.571 . 0 0 "[ . 1 . 2]" 2
62 1 18 SER CB 1 76 LEU H . 19.500 . 25.763 23.449 27.339 . 0 0 "[ . 1 . 2]" 2
63 1 18 SER CB 1 77 VAL H . 18.500 . 23.808 21.492 25.382 . 0 0 "[ . 1 . 2]" 2
64 1 18 SER CB 1 78 ALA H . 18.800 . 24.785 22.807 26.179 . 0 0 "[ . 1 . 2]" 2
65 1 18 SER CB 1 79 ILE H . 18.500 . 24.100 22.197 25.376 . 0 0 "[ . 1 . 2]" 2
66 1 18 SER CB 1 80 LEU H . 18.600 . 21.517 19.438 23.005 . 0 0 "[ . 1 . 2]" 2
67 1 18 SER CB 1 81 GLN H . 18.500 . 21.078 19.715 22.755 . 0 0 "[ . 1 . 2]" 2
68 1 18 SER CB 1 82 SER H . 16.900 . 22.494 21.495 24.582 . 0 0 "[ . 1 . 2]" 2
69 1 18 SER CB 1 83 VAL H . 16.600 . 22.061 20.848 23.901 . 0 0 "[ . 1 . 2]" 2
70 1 18 SER CB 1 85 ALA H . 16.600 . 19.078 18.046 21.741 . 0 0 "[ . 1 . 2]" 2
71 1 18 SER CB 1 95 ILE H . 18.800 . 19.579 18.840 21.136 . 0 0 "[ . 1 . 2]" 2
72 1 18 SER CB 1 97 GLY H . 18.600 . 19.650 18.620 23.878 . 0 0 "[ . 1 . 2]" 2
73 1 18 SER CB 1 101 THR H . 18.600 . 20.136 18.966 22.349 . 0 0 "[ . 1 . 2]" 2
74 1 18 SER CB 1 102 ALA H . 18.900 . 19.554 18.872 22.034 0.028 13 0 "[ . 1 . 2]" 2
75 1 18 SER CB 1 106 TRP H . 18.500 . 24.741 22.916 26.921 . 0 0 "[ . 1 . 2]" 2
76 1 18 SER CB 1 109 SER H . 20.900 . 27.855 26.057 30.593 . 0 0 "[ . 1 . 2]" 2
77 1 18 SER H 1 109 SER CB . 18.600 . 29.791 25.968 33.010 . 0 0 "[ . 1 . 2]" 2
78 1 18 SER CB 1 112 SER H . 22.800 . 32.000 27.509 36.221 . 0 0 "[ . 1 . 2]" 2
79 1 18 SER CB 1 113 SER H . 21.800 . 34.064 25.281 38.473 . 0 0 "[ . 1 . 2]" 2
80 1 19 GLY H 1 35 THR CB . 22.700 . 25.572 23.451 26.455 . 0 0 "[ . 1 . 2]" 2
81 1 19 GLY H 1 47 SER CB . 23.700 . 32.575 30.244 33.671 . 0 0 "[ . 1 . 2]" 2
82 1 19 GLY H 1 75 SER CB . 23.600 . 30.229 26.592 32.295 . 0 0 "[ . 1 . 2]" 2
83 1 19 GLY H 1 109 SER CB . 20.200 . 31.132 27.939 32.984 . 0 0 "[ . 1 . 2]" 2
84 1 20 ARG H 1 35 THR CB . 25.000 . 26.265 25.604 26.752 . 0 0 "[ . 1 . 2]" 2
85 1 20 ARG H 1 47 SER CB . 25.000 . 32.844 31.608 34.508 . 0 0 "[ . 1 . 2]" 2
86 1 20 ARG H 1 75 SER CB . 25.000 . 31.841 29.418 34.734 . 0 0 "[ . 1 . 2]" 2
87 1 20 ARG H 1 109 SER CB . 23.000 . 33.239 30.371 35.160 . 0 0 "[ . 1 . 2]" 2
88 1 21 ALA H 1 35 THR CB . 22.500 . 24.777 24.340 25.161 . 0 0 "[ . 1 . 2]" 2
89 1 21 ALA H 1 47 SER CB . 25.000 . 32.301 30.844 33.634 . 0 0 "[ . 1 . 2]" 2
90 1 21 ALA H 1 75 SER CB . 23.300 . 31.991 30.223 34.481 . 0 0 "[ . 1 . 2]" 2
91 1 21 ALA H 1 109 SER CB . 20.700 . 31.278 28.509 33.130 . 0 0 "[ . 1 . 2]" 2
92 1 22 ALA H 1 47 SER CB . 24.900 . 30.237 28.042 31.991 . 0 0 "[ . 1 . 2]" 2
93 1 22 ALA H 1 75 SER CB . 24.500 . 29.390 27.651 31.693 . 0 0 "[ . 1 . 2]" 2
94 1 22 ALA H 1 109 SER CB . 23.200 . 29.850 27.461 31.366 . 0 0 "[ . 1 . 2]" 2
95 1 23 VAL H 1 47 SER CB . 24.500 . 27.747 26.774 29.639 . 0 0 "[ . 1 . 2]" 2
96 1 23 VAL H 1 75 SER CB . 25.000 . 27.767 25.813 31.192 . 0 0 "[ . 1 . 2]" 2
97 1 23 VAL H 1 109 SER CB . 25.000 . 30.829 28.897 32.100 . 0 0 "[ . 1 . 2]" 2
98 1 24 ALA H 1 47 SER CB . 25.000 . 27.824 27.208 30.003 . 0 0 "[ . 1 . 2]" 2
99 1 24 ALA H 1 75 SER CB . 21.800 . 29.010 27.667 32.037 . 0 0 "[ . 1 . 2]" 2
100 1 24 ALA H 1 109 SER CB . 20.800 . 29.665 27.667 30.886 . 0 0 "[ . 1 . 2]" 2
101 1 25 ALA H 1 47 SER CB . 25.000 . 27.404 25.600 28.275 . 0 0 "[ . 1 . 2]" 2
102 1 25 ALA H 1 75 SER CB . 25.000 . 28.057 27.252 29.633 . 0 0 "[ . 1 . 2]" 2
103 1 25 ALA H 1 109 SER CB . 25.000 . 27.104 25.280 28.155 . 0 0 "[ . 1 . 2]" 2
104 1 26 VAL H 1 75 SER CB . 25.000 . 25.860 24.999 28.593 0.001 19 0 "[ . 1 . 2]" 2
105 1 26 VAL H 1 109 SER CB . 24.700 . 27.522 25.864 28.506 . 0 0 "[ . 1 . 2]" 2
106 1 27 VAL H 1 47 SER CB . 23.900 . 24.144 23.890 26.261 0.010 16 0 "[ . 1 . 2]" 2
107 1 27 VAL H 1 75 SER CB . 25.000 . 26.376 25.501 29.788 . 0 0 "[ . 1 . 2]" 2
108 1 27 VAL H 1 109 SER CB . 25.000 . 27.693 26.561 28.632 . 0 0 "[ . 1 . 2]" 2
109 1 28 GLY H 1 47 SER CB . 22.900 . 24.404 23.515 25.059 . 0 0 "[ . 1 . 2]" 2
110 1 28 GLY H 1 75 SER CB . 25.000 . 27.164 26.002 28.660 . 0 0 "[ . 1 . 2]" 2
111 1 28 GLY H 1 109 SER CB . 25.000 . 25.963 24.993 26.774 0.007 10 0 "[ . 1 . 2]" 2
112 1 29 GLY H 1 47 SER CB . 20.900 . 22.123 20.929 22.743 . 0 0 "[ . 1 . 2]" 2
113 1 29 GLY H 1 75 SER CB . 25.000 . 26.507 25.482 27.008 . 0 0 "[ . 1 . 2]" 2
114 1 29 GLY H 1 109 SER CB . 25.000 . 25.024 24.993 25.228 0.007 17 0 "[ . 1 . 2]" 2
115 1 30 VAL H 1 47 SER CB . 18.600 . 20.496 19.748 21.032 . 0 0 "[ . 1 . 2]" 2
116 1 30 VAL H 1 75 SER CB . 25.000 . 25.728 25.170 26.339 . 0 0 "[ . 1 . 2]" 2
117 1 30 VAL H 1 109 SER CB . 25.000 . 26.349 25.522 27.020 . 0 0 "[ . 1 . 2]" 2
118 1 33 VAL H 1 109 SER CB . 25.000 . 26.218 25.340 26.851 . 0 0 "[ . 1 . 2]" 2
119 1 34 GLY H 1 109 SER CB . 25.000 . 27.867 26.533 28.675 . 0 0 "[ . 1 . 2]" 2
120 1 35 THR H 1 47 SER CB . 11.800 . 14.029 13.750 14.476 . 0 0 "[ . 1 . 2]" 2
121 1 35 THR CB 1 49 GLY H . 19.200 . 19.192 19.153 19.261 0.047 19 0 "[ . 1 . 2]" 2
122 1 35 THR CB 1 50 ILE H . 14.700 . 19.932 19.150 20.935 . 0 0 "[ . 1 . 2]" 2
123 1 35 THR CB 1 54 SER H . 22.100 . 22.355 22.077 22.991 0.023 19 0 "[ . 1 . 2]" 2
124 1 35 THR CB 1 58 LYS H . 22.900 . 25.997 24.309 26.733 . 0 0 "[ . 1 . 2]" 2
125 1 35 THR CB 1 60 MET H . 21.800 . 28.240 22.535 31.408 . 0 0 "[ . 1 . 2]" 2
126 1 35 THR CB 1 61 SER H . 22.700 . 28.741 24.841 32.689 . 0 0 "[ . 1 . 2]" 2
127 1 35 THR CB 1 62 THR H . 22.800 . 29.158 26.054 32.241 . 0 0 "[ . 1 . 2]" 2
128 1 35 THR CB 1 63 ALA H . 25.000 . 28.776 25.794 32.302 . 0 0 "[ . 1 . 2]" 2
129 1 35 THR CB 1 64 ALA H . 21.100 . 28.800 24.644 32.250 . 0 0 "[ . 1 . 2]" 2
130 1 35 THR CB 1 65 ILE H . 22.800 . 29.064 25.857 33.168 . 0 0 "[ . 1 . 2]" 2
131 1 35 THR CB 1 66 ALA H . 22.400 . 29.394 26.270 31.044 . 0 0 "[ . 1 . 2]" 2
132 1 35 THR CB 1 67 ASN H . 25.000 . 29.831 27.389 31.996 . 0 0 "[ . 1 . 2]" 2
133 1 35 THR CB 1 68 GLY H . 25.000 . 28.901 25.161 31.897 . 0 0 "[ . 1 . 2]" 2
134 1 35 THR CB 1 69 GLY H . 25.000 . 27.062 25.325 29.505 . 0 0 "[ . 1 . 2]" 2
135 1 35 THR CB 1 70 GLY H . 22.600 . 25.560 23.255 29.447 . 0 0 "[ . 1 . 2]" 2
136 1 35 THR CB 1 98 PHE H . 21.100 . 23.173 21.178 24.845 . 0 0 "[ . 1 . 2]" 2
137 1 35 THR CB 1 101 THR H . 23.900 . 25.724 24.021 27.521 . 0 0 "[ . 1 . 2]" 2
138 1 35 THR CB 1 109 SER H . 20.900 . 24.544 21.272 26.745 . 0 0 "[ . 1 . 2]" 2
139 1 35 THR H 1 109 SER CB . 25.000 . 27.134 25.556 28.151 . 0 0 "[ . 1 . 2]" 2
140 1 35 THR CB 1 112 SER H . 23.500 . 29.184 25.177 33.798 . 0 0 "[ . 1 . 2]" 2
141 1 35 THR CB 1 113 SER H . 25.000 . 30.810 25.677 36.136 . 0 0 "[ . 1 . 2]" 2
142 1 36 VAL H 1 109 SER CB . 22.400 . 26.444 24.826 27.604 . 0 0 "[ . 1 . 2]" 2
143 1 37 LEU H 1 109 SER CB . 25.000 . 28.958 27.335 30.064 . 0 0 "[ . 1 . 2]" 2
144 1 38 VAL H 1 109 SER CB . 25.000 . 30.703 29.121 32.266 . 0 0 "[ . 1 . 2]" 2
145 1 39 ALA H 1 109 SER CB . 25.000 . 29.568 27.669 31.100 . 0 0 "[ . 1 . 2]" 2
146 1 40 LEU H 1 109 SER CB . 25.000 . 30.370 28.422 31.690 . 0 0 "[ . 1 . 2]" 2
147 1 41 SER H 1 109 SER CB . 25.000 . 33.099 31.341 34.311 . 0 0 "[ . 1 . 2]" 2
148 1 42 ALA H 1 109 SER CB . 25.000 . 33.880 31.462 35.451 . 0 0 "[ . 1 . 2]" 2
149 1 43 MET H 1 109 SER CB . 25.000 . 34.396 31.808 36.101 . 0 0 "[ . 1 . 2]" 2
150 1 44 GLY H 1 109 SER CB . 25.000 . 35.916 33.335 38.547 . 0 0 "[ . 1 . 2]" 2
151 1 45 PHE H 1 109 SER CB . 22.200 . 37.377 34.832 39.465 . 0 0 "[ . 1 . 2]" 2
152 1 46 THR H 1 109 SER CB . 25.000 . 38.974 36.565 41.182 . 0 0 "[ . 1 . 2]" 2
153 1 47 SER CB 1 93 LYS H . 22.700 . 29.173 28.625 29.568 . 0 0 "[ . 1 . 2]" 2
154 1 47 SER CB 1 95 ILE H . 25.000 . 29.777 29.233 30.289 . 0 0 "[ . 1 . 2]" 2
155 1 47 SER CB 1 96 GLY H . 24.500 . 32.278 31.840 32.715 . 0 0 "[ . 1 . 2]" 2
156 1 47 SER CB 1 97 GLY H . 25.000 . 34.044 33.132 35.756 . 0 0 "[ . 1 . 2]" 2
157 1 47 SER CB 1 98 PHE H . 21.800 . 35.212 33.229 36.902 . 0 0 "[ . 1 . 2]" 2
158 1 47 SER CB 1 99 ALA H . 21.200 . 36.443 35.330 37.606 . 0 0 "[ . 1 . 2]" 2
159 1 47 SER CB 1 100 GLY H . 24.600 . 38.112 35.045 41.136 . 0 0 "[ . 1 . 2]" 2
160 1 47 SER CB 1 101 THR H . 23.300 . 38.977 37.416 40.950 . 0 0 "[ . 1 . 2]" 2
161 1 47 SER CB 1 104 GLY H . 23.800 . 32.616 29.980 34.376 . 0 0 "[ . 1 . 2]" 2
162 1 47 SER CB 1 105 ALA H . 20.900 . 34.244 30.873 38.092 . 0 0 "[ . 1 . 2]" 2
163 1 47 SER CB 1 107 LEU H . 20.100 . 33.767 29.735 37.234 . 0 0 "[ . 1 . 2]" 2
164 1 47 SER CB 1 108 GLY H . 25.000 . 35.817 33.430 37.011 . 0 0 "[ . 1 . 2]" 2
165 1 47 SER CB 1 109 SER H . 24.900 . 38.176 34.281 40.285 . 0 0 "[ . 1 . 2]" 2
166 1 47 SER H 1 109 SER CB . 24.500 . 40.987 38.766 43.329 . 0 0 "[ . 1 . 2]" 2
167 1 47 SER CB 1 112 SER H . 25.000 . 42.026 37.244 47.253 . 0 0 "[ . 1 . 2]" 2
168 1 47 SER CB 1 113 SER H . 25.000 . 43.392 37.160 49.608 . 0 0 "[ . 1 . 2]" 2
169 1 48 VAL H 1 109 SER CB . 23.700 . 41.312 39.314 42.935 . 0 0 "[ . 1 . 2]" 2
170 1 49 GLY H 1 82 SER CB . 24.400 . 26.609 25.948 27.196 . 0 0 "[ . 1 . 2]" 2
171 1 49 GLY H 1 109 SER CB . 24.800 . 44.781 42.564 46.237 . 0 0 "[ . 1 . 2]" 2
172 1 50 ILE H 1 82 SER CB . 25.000 . 25.245 24.978 26.551 0.022 18 0 "[ . 1 . 2]" 2
173 1 50 ILE H 1 109 SER CB . 25.000 . 45.157 42.806 47.341 . 0 0 "[ . 1 . 2]" 2
174 1 51 ALA H 1 82 SER CB . 23.800 . 24.041 23.792 24.636 0.008 16 0 "[ . 1 . 2]" 2
175 1 51 ALA H 1 109 SER CB . 25.000 . 43.928 41.920 45.398 . 0 0 "[ . 1 . 2]" 2
176 1 52 ALA H 1 82 SER CB . 25.000 . 26.432 25.093 27.286 . 0 0 "[ . 1 . 2]" 2
177 1 52 ALA H 1 109 SER CB . 25.000 . 45.816 44.109 47.202 . 0 0 "[ . 1 . 2]" 2
178 1 53 SER H 1 82 SER CB . 23.900 . 27.079 26.477 27.772 . 0 0 "[ . 1 . 2]" 2
179 1 53 SER H 1 109 SER CB . 25.000 . 47.603 45.866 48.847 . 0 0 "[ . 1 . 2]" 2
180 1 54 SER H 1 82 SER CB . 23.500 . 25.853 24.859 26.873 . 0 0 "[ . 1 . 2]" 2
181 1 54 SER H 1 109 SER CB . 25.000 . 47.296 45.752 48.446 . 0 0 "[ . 1 . 2]" 2
182 1 55 ILE H 1 82 SER CB . 25.000 . 26.390 24.986 28.190 0.014 8 0 "[ . 1 . 2]" 2
183 1 55 ILE H 1 109 SER CB . 25.000 . 47.043 45.814 48.361 . 0 0 "[ . 1 . 2]" 2
184 1 56 ALA H 1 109 SER CB . 25.000 . 49.405 47.269 51.025 . 0 0 "[ . 1 . 2]" 2
185 1 57 ALA H 1 82 SER CB . 25.000 . 29.419 28.416 30.654 . 0 0 "[ . 1 . 2]" 2
186 1 57 ALA H 1 109 SER CB . 25.000 . 50.964 49.704 52.116 . 0 0 "[ . 1 . 2]" 2
187 1 58 LYS H 1 82 SER CB . 22.800 . 28.491 26.981 30.119 . 0 0 "[ . 1 . 2]" 2
188 1 58 LYS H 1 109 SER CB . 25.000 . 50.311 48.937 51.482 . 0 0 "[ . 1 . 2]" 2
189 1 59 MET H 1 82 SER CB . 25.000 . 28.550 25.664 31.725 . 0 0 "[ . 1 . 2]" 2
190 1 59 MET H 1 109 SER CB . 25.000 . 50.705 47.950 53.690 . 0 0 "[ . 1 . 2]" 2
191 1 60 MET H 1 82 SER CB . 23.900 . 28.517 24.159 31.012 . 0 0 "[ . 1 . 2]" 2
192 1 60 MET H 1 109 SER CB . 25.000 . 51.076 46.366 53.516 . 0 0 "[ . 1 . 2]" 2
193 1 61 SER H 1 82 SER CB . 21.600 . 27.485 23.939 30.670 . 0 0 "[ . 1 . 2]" 2
194 1 61 SER H 1 109 SER CB . 25.000 . 50.735 47.192 55.848 . 0 0 "[ . 1 . 2]" 2
195 1 62 THR H 1 109 SER CB . 25.000 . 50.390 47.258 53.659 . 0 0 "[ . 1 . 2]" 2
196 1 63 ALA H 1 109 SER CB . 25.000 . 49.532 46.496 53.120 . 0 0 "[ . 1 . 2]" 2
197 1 64 ALA H 1 109 SER CB . 25.000 . 48.821 44.350 52.552 . 0 0 "[ . 1 . 2]" 2
198 1 65 ILE H 1 109 SER CB . 25.000 . 48.294 45.007 52.127 . 0 0 "[ . 1 . 2]" 2
199 1 66 ALA H 1 109 SER CB . 25.000 . 47.513 44.428 50.009 . 0 0 "[ . 1 . 2]" 2
200 1 67 ASN H 1 109 SER CB . 25.000 . 47.042 42.233 49.227 . 0 0 "[ . 1 . 2]" 2
201 1 68 GLY H 1 109 SER CB . 25.000 . 45.485 42.256 48.823 . 0 0 "[ . 1 . 2]" 2
202 1 69 GLY H 1 109 SER CB . 25.000 . 44.201 41.855 47.165 . 0 0 "[ . 1 . 2]" 2
203 1 70 GLY H 1 109 SER CB . 25.000 . 43.417 41.379 46.569 . 0 0 "[ . 1 . 2]" 2
204 1 71 VAL H 1 109 SER CB . 24.600 . 39.998 37.766 42.428 . 0 0 "[ . 1 . 2]" 2
205 1 72 ALA H 1 109 SER CB . 24.400 . 38.250 36.724 41.203 . 0 0 "[ . 1 . 2]" 2
206 1 73 ALA H 1 109 SER CB . 23.900 . 38.623 37.064 40.843 . 0 0 "[ . 1 . 2]" 2
207 1 74 GLY H 1 109 SER CB . 23.900 . 39.034 37.893 40.160 . 0 0 "[ . 1 . 2]" 2
208 1 75 SER CB 1 93 LYS H . 25.000 . 25.022 24.964 25.168 0.036 18 0 "[ . 1 . 2]" 2
209 1 75 SER CB 1 95 ILE H . 25.000 . 27.500 27.329 27.646 . 0 0 "[ . 1 . 2]" 2
210 1 75 SER CB 1 96 GLY H . 24.800 . 29.382 29.120 29.590 . 0 0 "[ . 1 . 2]" 2
211 1 75 SER CB 1 97 GLY H . 23.100 . 30.200 29.189 31.527 . 0 0 "[ . 1 . 2]" 2
212 1 75 SER CB 1 98 PHE H . 25.000 . 31.271 29.426 33.278 . 0 0 "[ . 1 . 2]" 2
213 1 75 SER CB 1 99 ALA H . 24.500 . 33.335 30.717 34.730 . 0 0 "[ . 1 . 2]" 2
214 1 75 SER CB 1 101 THR H . 21.600 . 37.523 34.980 39.397 . 0 0 "[ . 1 . 2]" 2
215 1 75 SER CB 1 102 ALA H . 25.000 . 35.976 33.384 37.799 . 0 0 "[ . 1 . 2]" 2
216 1 75 SER CB 1 104 GLY H . 25.000 . 34.077 31.993 35.855 . 0 0 "[ . 1 . 2]" 2
217 1 75 SER CB 1 105 ALA H . 25.000 . 36.689 34.225 39.556 . 0 0 "[ . 1 . 2]" 2
218 1 75 SER CB 1 107 LEU H . 25.000 . 34.646 31.458 38.061 . 0 0 "[ . 1 . 2]" 2
219 1 75 SER CB 1 108 GLY H . 25.000 . 35.610 33.523 37.083 . 0 0 "[ . 1 . 2]" 2
220 1 75 SER CB 1 109 SER H . 25.000 . 37.123 33.218 40.241 . 0 0 "[ . 1 . 2]" 2
221 1 75 SER H 1 109 SER CB . 25.000 . 39.206 37.620 40.256 . 0 0 "[ . 1 . 2]" 2
222 1 75 SER CB 1 112 SER H . 25.000 . 39.310 33.021 46.211 . 0 0 "[ . 1 . 2]" 2
223 1 75 SER CB 1 113 SER H . 25.000 . 40.511 32.552 48.490 . 0 0 "[ . 1 . 2]" 2
224 1 76 LEU H 1 109 SER CB . 24.500 . 36.956 35.465 37.925 . 0 0 "[ . 1 . 2]" 2
225 1 77 VAL H 1 109 SER CB . 23.600 . 35.853 34.543 36.761 . 0 0 "[ . 1 . 2]" 2
226 1 78 ALA H 1 109 SER CB . 25.000 . 34.583 33.131 35.662 . 0 0 "[ . 1 . 2]" 2
227 1 79 ILE H 1 109 SER CB . 25.000 . 32.506 31.040 33.676 . 0 0 "[ . 1 . 2]" 2
228 1 80 LEU H 1 109 SER CB . 25.000 . 31.307 30.025 32.236 . 0 0 "[ . 1 . 2]" 2
229 1 81 GLN H 1 109 SER CB . 22.600 . 30.406 29.063 31.235 . 0 0 "[ . 1 . 2]" 2
230 1 82 SER H 1 109 SER CB . 22.800 . 28.769 27.179 29.842 . 0 0 "[ . 1 . 2]" 2
231 1 83 VAL H 1 109 SER CB . 21.600 . 27.004 25.529 28.230 . 0 0 "[ . 1 . 2]" 2
232 1 84 GLY H 1 109 SER CB . 20.300 . 26.289 24.972 27.119 . 0 0 "[ . 1 . 2]" 2
233 1 85 ALA H 1 109 SER CB . 22.300 . 24.916 23.444 25.537 . 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 100
_Distance_constraint_stats_list.Viol_count 1565
_Distance_constraint_stats_list.Viol_total 5401.068
_Distance_constraint_stats_list.Viol_max 0.345
_Distance_constraint_stats_list.Viol_rms 0.1031
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1350
_Distance_constraint_stats_list.Viol_average_violations_only 0.1726
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 20 ARG 4.401 0.228 5 0 "[ . 1 . 2]"
1 21 ALA 15.061 0.287 2 0 "[ . 1 . 2]"
1 22 ALA 12.548 0.345 3 0 "[ . 1 . 2]"
1 23 VAL 13.968 0.252 3 0 "[ . 1 . 2]"
1 24 ALA 12.202 0.287 2 0 "[ . 1 . 2]"
1 25 ALA 15.206 0.345 3 0 "[ . 1 . 2]"
1 26 VAL 11.524 0.243 10 0 "[ . 1 . 2]"
1 27 VAL 11.501 0.283 3 0 "[ . 1 . 2]"
1 29 GLY 7.076 0.246 2 0 "[ . 1 . 2]"
1 30 VAL 11.248 0.279 16 0 "[ . 1 . 2]"
1 31 VAL 8.166 0.258 20 0 "[ . 1 . 2]"
1 32 ALA 9.995 0.320 16 0 "[ . 1 . 2]"
1 33 VAL 20.734 0.297 10 0 "[ . 1 . 2]"
1 34 GLY 14.060 0.279 16 0 "[ . 1 . 2]"
1 35 THR 10.497 0.275 13 0 "[ . 1 . 2]"
1 36 VAL 16.699 0.320 16 0 "[ . 1 . 2]"
1 37 LEU 12.213 0.297 10 0 "[ . 1 . 2]"
1 38 VAL 6.938 0.232 19 0 "[ . 1 . 2]"
1 39 ALA 6.829 0.275 13 0 "[ . 1 . 2]"
1 40 LEU 6.704 0.302 18 0 "[ . 1 . 2]"
1 41 SER 3.435 0.210 20 0 "[ . 1 . 2]"
1 42 ALA 3.743 0.232 19 0 "[ . 1 . 2]"
1 47 SER 3.597 0.281 16 0 "[ . 1 . 2]"
1 48 VAL 13.518 0.326 15 0 "[ . 1 . 2]"
1 49 GLY 10.465 0.292 11 0 "[ . 1 . 2]"
1 50 ILE 11.579 0.278 10 0 "[ . 1 . 2]"
1 51 ALA 15.007 0.326 15 0 "[ . 1 . 2]"
1 52 ALA 20.588 0.292 11 0 "[ . 1 . 2]"
1 53 SER 14.901 0.263 16 0 "[ . 1 . 2]"
1 54 SER 6.092 0.278 10 0 "[ . 1 . 2]"
1 55 ILE 5.823 0.302 7 0 "[ . 1 . 2]"
1 56 ALA 7.498 0.289 18 0 "[ . 1 . 2]"
1 57 ALA 4.106 0.231 17 0 "[ . 1 . 2]"
1 74 GLY 2.559 0.235 13 0 "[ . 1 . 2]"
1 75 SER 4.001 0.246 17 0 "[ . 1 . 2]"
1 76 LEU 5.714 0.289 7 0 "[ . 1 . 2]"
1 77 VAL 7.789 0.271 12 0 "[ . 1 . 2]"
1 78 ALA 14.345 0.329 12 0 "[ . 1 . 2]"
1 79 ILE 8.049 0.289 7 0 "[ . 1 . 2]"
1 80 LEU 5.108 0.241 17 0 "[ . 1 . 2]"
1 81 GLN 11.774 0.308 18 0 "[ . 1 . 2]"
1 82 SER 13.701 0.329 12 0 "[ . 1 . 2]"
1 83 VAL 5.574 0.221 5 0 "[ . 1 . 2]"
1 84 GLY 12.662 0.285 16 0 "[ . 1 . 2]"
1 85 ALA 7.039 0.308 18 0 "[ . 1 . 2]"
1 86 ALA 10.589 0.279 13 0 "[ . 1 . 2]"
1 87 GLY 3.009 0.209 15 0 "[ . 1 . 2]"
1 88 LEU 17.816 0.285 16 0 "[ . 1 . 2]"
1 89 SER 3.440 0.232 2 0 "[ . 1 . 2]"
1 90 VAL 13.816 0.300 12 0 "[ . 1 . 2]"
1 91 THR 8.170 0.260 17 0 "[ . 1 . 2]"
1 92 SER 14.681 0.275 17 0 "[ . 1 . 2]"
1 93 LYS 2.946 0.232 2 0 "[ . 1 . 2]"
1 94 VAL 6.583 0.300 12 0 "[ . 1 . 2]"
1 95 ILE 12.819 0.275 17 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 20 ARG O 1 23 VAL H . . 1.800 2.010 1.972 2.028 0.228 5 0 "[ . 1 . 2]" 3
2 1 20 ARG O 1 23 VAL N . . 2.700 2.701 2.669 2.793 0.093 16 0 "[ . 1 . 2]" 3
3 1 21 ALA O 1 24 ALA H . . 1.800 2.079 2.069 2.087 0.287 2 0 "[ . 1 . 2]" 3
4 1 21 ALA O 1 24 ALA N . . 2.700 2.611 2.602 2.631 . 0 0 "[ . 1 . 2]" 3
5 1 21 ALA O 1 25 ALA H . . 1.800 2.038 2.024 2.045 0.245 12 0 "[ . 1 . 2]" 3
6 1 21 ALA O 1 25 ALA N . . 2.700 2.936 2.929 2.968 0.268 3 0 "[ . 1 . 2]" 3
7 1 22 ALA O 1 25 ALA H . . 1.800 2.086 2.074 2.145 0.345 3 0 "[ . 1 . 2]" 3
8 1 22 ALA O 1 25 ALA N . . 2.700 2.609 2.553 2.622 . 0 0 "[ . 1 . 2]" 3
9 1 22 ALA O 1 26 VAL H . . 1.800 2.025 2.008 2.043 0.243 10 0 "[ . 1 . 2]" 3
10 1 22 ALA O 1 26 VAL N . . 2.700 2.816 2.750 2.844 0.144 18 0 "[ . 1 . 2]" 3
11 1 23 VAL O 1 26 VAL H . . 1.800 2.020 1.980 2.030 0.230 18 0 "[ . 1 . 2]" 3
12 1 23 VAL O 1 26 VAL N . . 2.700 2.714 2.699 2.762 0.062 3 0 "[ . 1 . 2]" 3
13 1 23 VAL O 1 27 VAL H . . 1.800 2.030 2.012 2.052 0.252 3 0 "[ . 1 . 2]" 3
14 1 23 VAL O 1 27 VAL N . . 2.700 2.704 2.678 2.858 0.158 3 0 "[ . 1 . 2]" 3
15 1 24 ALA O 1 27 VAL H . . 1.800 2.037 2.028 2.083 0.283 3 0 "[ . 1 . 2]" 3
16 1 24 ALA O 1 27 VAL N . . 2.700 2.794 2.693 2.837 0.137 9 0 "[ . 1 . 2]" 3
17 1 29 GLY O 1 33 VAL H . . 1.800 1.992 1.847 2.046 0.246 2 0 "[ . 1 . 2]" 3
18 1 29 GLY O 1 33 VAL N . . 2.700 2.862 2.708 2.914 0.214 2 0 "[ . 1 . 2]" 3
19 1 30 VAL O 1 33 VAL H . . 1.800 2.044 2.026 2.072 0.272 12 0 "[ . 1 . 2]" 3
20 1 30 VAL O 1 33 VAL N . . 2.700 2.652 2.606 2.667 . 0 0 "[ . 1 . 2]" 3
21 1 30 VAL O 1 34 GLY H . . 1.800 2.009 1.899 2.079 0.279 16 0 "[ . 1 . 2]" 3
22 1 30 VAL O 1 34 GLY N . . 2.700 2.809 2.692 2.902 0.202 20 0 "[ . 1 . 2]" 3
23 1 31 VAL O 1 34 GLY H . . 1.800 2.025 1.997 2.058 0.258 20 0 "[ . 1 . 2]" 3
24 1 31 VAL O 1 34 GLY N . . 2.700 2.679 2.656 2.701 0.001 7 0 "[ . 1 . 2]" 3
25 1 31 VAL O 1 35 THR H . . 1.800 1.871 1.761 2.010 0.210 4 0 "[ . 1 . 2]" 3
26 1 31 VAL O 1 35 THR N . . 2.700 2.810 2.688 2.945 0.245 4 0 "[ . 1 . 2]" 3
27 1 32 ALA O 1 36 VAL H . . 1.800 2.011 1.988 2.026 0.226 2 0 "[ . 1 . 2]" 3
28 1 32 ALA O 1 36 VAL N . . 2.700 2.989 2.955 3.020 0.320 16 0 "[ . 1 . 2]" 3
29 1 33 VAL O 1 37 LEU H . . 1.800 1.997 1.946 2.030 0.230 20 0 "[ . 1 . 2]" 3
30 1 33 VAL O 1 37 LEU N . . 2.700 2.941 2.867 2.997 0.297 10 0 "[ . 1 . 2]" 3
31 1 34 GLY O 1 38 VAL H . . 1.800 1.851 1.770 1.970 0.170 8 0 "[ . 1 . 2]" 3
32 1 34 GLY O 1 38 VAL N . . 2.700 2.803 2.684 2.917 0.217 11 0 "[ . 1 . 2]" 3
33 1 35 THR O 1 39 ALA H . . 1.800 2.004 1.926 2.027 0.227 13 0 "[ . 1 . 2]" 3
34 1 35 THR O 1 39 ALA N . . 2.700 2.838 2.740 2.975 0.275 13 0 "[ . 1 . 2]" 3
35 1 36 VAL O 1 40 LEU H . . 1.800 1.959 1.781 2.016 0.216 18 0 "[ . 1 . 2]" 3
36 1 36 VAL O 1 40 LEU N . . 2.700 2.875 2.696 3.002 0.302 18 0 "[ . 1 . 2]" 3
37 1 37 LEU O 1 41 SER H . . 1.800 1.910 1.794 2.010 0.210 20 0 "[ . 1 . 2]" 3
38 1 37 LEU O 1 41 SER N . . 2.700 2.758 2.681 2.900 0.200 14 0 "[ . 1 . 2]" 3
39 1 38 VAL O 1 42 ALA H . . 1.800 1.950 1.796 2.032 0.232 19 0 "[ . 1 . 2]" 3
40 1 38 VAL O 1 42 ALA N . . 2.700 2.729 2.655 2.856 0.156 15 0 "[ . 1 . 2]" 3
41 1 47 SER O 1 51 ALA H . . 1.800 1.874 1.730 2.058 0.258 16 0 "[ . 1 . 2]" 3
42 1 47 SER O 1 51 ALA N . . 2.700 2.792 2.673 2.981 0.281 16 0 "[ . 1 . 2]" 3
43 1 48 VAL O 1 51 ALA H . . 1.800 2.079 2.056 2.126 0.326 15 0 "[ . 1 . 2]" 3
44 1 48 VAL O 1 51 ALA N . . 2.700 2.598 2.546 2.658 . 0 0 "[ . 1 . 2]" 3
45 1 48 VAL O 1 52 ALA H . . 1.800 2.005 1.795 2.083 0.283 10 0 "[ . 1 . 2]" 3
46 1 48 VAL O 1 52 ALA N . . 2.700 2.890 2.685 2.983 0.283 4 0 "[ . 1 . 2]" 3
47 1 49 GLY O 1 52 ALA H . . 1.800 2.058 2.025 2.092 0.292 11 0 "[ . 1 . 2]" 3
48 1 49 GLY O 1 52 ALA N . . 2.700 2.609 2.547 2.668 . 0 0 "[ . 1 . 2]" 3
49 1 49 GLY O 1 53 SER H . . 1.800 1.994 1.932 2.037 0.237 16 0 "[ . 1 . 2]" 3
50 1 49 GLY O 1 53 SER N . . 2.700 2.770 2.686 2.873 0.173 19 0 "[ . 1 . 2]" 3
51 1 50 ILE O 1 53 SER H . . 1.800 2.026 2.000 2.063 0.263 16 0 "[ . 1 . 2]" 3
52 1 50 ILE O 1 53 SER N . . 2.700 2.745 2.667 2.853 0.153 10 0 "[ . 1 . 2]" 3
53 1 50 ILE O 1 54 SER H . . 1.800 1.939 1.798 2.017 0.217 10 0 "[ . 1 . 2]" 3
54 1 50 ILE O 1 54 SER N . . 2.700 2.865 2.698 2.978 0.278 10 0 "[ . 1 . 2]" 3
55 1 51 ALA O 1 55 ILE H . . 1.800 1.914 1.785 2.014 0.214 8 0 "[ . 1 . 2]" 3
56 1 51 ALA O 1 55 ILE N . . 2.700 2.875 2.707 3.002 0.302 7 0 "[ . 1 . 2]" 3
57 1 52 ALA O 1 56 ALA H . . 1.800 1.983 1.815 2.016 0.216 18 0 "[ . 1 . 2]" 3
58 1 52 ALA O 1 56 ALA N . . 2.700 2.891 2.713 2.989 0.289 18 0 "[ . 1 . 2]" 3
59 1 53 SER O 1 57 ALA H . . 1.800 1.888 1.803 2.001 0.201 16 0 "[ . 1 . 2]" 3
60 1 53 SER O 1 57 ALA N . . 2.700 2.817 2.734 2.931 0.231 17 0 "[ . 1 . 2]" 3
61 1 74 GLY O 1 77 VAL H . . 1.800 1.919 1.794 2.035 0.235 13 0 "[ . 1 . 2]" 3
62 1 74 GLY O 1 77 VAL N . . 2.700 2.702 2.658 2.799 0.099 1 0 "[ . 1 . 2]" 3
63 1 75 SER O 1 78 ALA H . . 1.800 1.987 1.801 2.046 0.246 17 0 "[ . 1 . 2]" 3
64 1 75 SER O 1 78 ALA N . . 2.700 2.700 2.655 2.769 0.069 13 0 "[ . 1 . 2]" 3
65 1 76 LEU O 1 79 ILE H . . 1.800 2.057 2.033 2.089 0.289 7 0 "[ . 1 . 2]" 3
66 1 76 LEU O 1 79 ILE N . . 2.700 2.631 2.603 2.664 . 0 0 "[ . 1 . 2]" 3
67 1 76 LEU O 1 80 LEU H . . 1.800 1.807 1.754 1.932 0.132 1 0 "[ . 1 . 2]" 3
68 1 76 LEU O 1 80 LEU N . . 2.700 2.704 2.668 2.748 0.048 10 0 "[ . 1 . 2]" 3
69 1 77 VAL O 1 81 GLN H . . 1.800 1.920 1.798 2.014 0.214 4 0 "[ . 1 . 2]" 3
70 1 77 VAL O 1 81 GLN N . . 2.700 2.841 2.710 2.971 0.271 12 0 "[ . 1 . 2]" 3
71 1 78 ALA O 1 82 SER H . . 1.800 2.018 1.925 2.049 0.249 12 0 "[ . 1 . 2]" 3
72 1 78 ALA O 1 82 SER N . . 2.700 2.999 2.889 3.029 0.329 12 0 "[ . 1 . 2]" 3
73 1 79 ILE O 1 83 VAL H . . 1.800 1.942 1.810 2.021 0.221 5 0 "[ . 1 . 2]" 3
74 1 79 ILE O 1 83 VAL N . . 2.700 2.666 2.615 2.762 0.062 19 0 "[ . 1 . 2]" 3
75 1 80 LEU O 1 84 GLY H . . 1.800 2.018 1.992 2.041 0.241 17 0 "[ . 1 . 2]" 3
76 1 80 LEU O 1 84 GLY N . . 2.700 2.697 2.668 2.747 0.047 2 0 "[ . 1 . 2]" 3
77 1 81 GLN O 1 85 ALA H . . 1.800 1.933 1.774 2.017 0.217 19 0 "[ . 1 . 2]" 3
78 1 81 GLN O 1 85 ALA N . . 2.700 2.891 2.710 3.008 0.308 18 0 "[ . 1 . 2]" 3
79 1 82 SER O 1 86 ALA H . . 1.800 1.955 1.802 2.031 0.231 8 0 "[ . 1 . 2]" 3
80 1 82 SER O 1 86 ALA N . . 2.700 2.704 2.667 2.762 0.062 19 0 "[ . 1 . 2]" 3
81 1 83 VAL O 1 87 GLY H . . 1.800 1.933 1.860 2.009 0.209 15 0 "[ . 1 . 2]" 3
82 1 83 VAL O 1 87 GLY N . . 2.700 2.675 2.617 2.699 . 0 0 "[ . 1 . 2]" 3
83 1 84 GLY O 1 88 LEU H . . 1.800 1.989 1.834 2.040 0.240 8 0 "[ . 1 . 2]" 3
84 1 84 GLY O 1 88 LEU N . . 2.700 2.917 2.713 2.985 0.285 16 0 "[ . 1 . 2]" 3
85 1 85 ALA O 1 89 SER H . . 1.800 1.815 1.776 1.900 0.100 4 0 "[ . 1 . 2]" 3
86 1 85 ALA O 1 89 SER N . . 2.700 2.685 2.651 2.755 0.055 7 0 "[ . 1 . 2]" 3
87 1 86 ALA O 1 90 VAL H . . 1.800 1.996 1.901 2.034 0.234 12 0 "[ . 1 . 2]" 3
88 1 86 ALA O 1 90 VAL N . . 2.700 2.865 2.695 2.979 0.279 13 0 "[ . 1 . 2]" 3
89 1 87 GLY O 1 91 THR H . . 1.800 1.791 1.768 1.825 0.025 6 0 "[ . 1 . 2]" 3
90 1 87 GLY O 1 91 THR N . . 2.700 2.709 2.663 2.752 0.052 6 0 "[ . 1 . 2]" 3
91 1 88 LEU O 1 92 SER H . . 1.800 2.041 2.020 2.070 0.270 15 0 "[ . 1 . 2]" 3
92 1 88 LEU O 1 92 SER N . . 2.700 2.944 2.915 2.971 0.271 12 0 "[ . 1 . 2]" 3
93 1 89 SER O 1 93 LYS H . . 1.800 1.837 1.771 1.966 0.166 2 0 "[ . 1 . 2]" 3
94 1 89 SER O 1 93 LYS N . . 2.700 2.802 2.711 2.932 0.232 2 0 "[ . 1 . 2]" 3
95 1 90 VAL O 1 94 VAL H . . 1.800 1.947 1.792 2.019 0.219 12 0 "[ . 1 . 2]" 3
96 1 90 VAL O 1 94 VAL N . . 2.700 2.882 2.716 3.000 0.300 12 0 "[ . 1 . 2]" 3
97 1 91 THR O 1 95 ILE H . . 1.800 2.027 2.008 2.060 0.260 17 0 "[ . 1 . 2]" 3
98 1 91 THR O 1 95 ILE N . . 2.700 2.864 2.829 2.920 0.220 10 0 "[ . 1 . 2]" 3
99 1 92 SER O 1 95 ILE H . . 1.800 2.050 2.020 2.075 0.275 17 0 "[ . 1 . 2]" 3
100 1 92 SER O 1 95 ILE N . . 2.700 2.662 2.643 2.693 . 0 0 "[ . 1 . 2]" 3
stop_
save_
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