NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
381327 |
1iyu   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1iyu
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 431
_Distance_constraint_stats_list.Viol_count 19
_Distance_constraint_stats_list.Viol_total 0.294
_Distance_constraint_stats_list.Viol_max 0.068
_Distance_constraint_stats_list.Viol_rms 0.0050
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0155
_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 1 SER 0.000 0.000 . 0 "[ ]"
1 2 GLU 0.000 0.000 . 0 "[ ]"
1 3 ILE 0.000 0.000 . 0 "[ ]"
1 4 ILE 0.000 0.000 . 0 "[ ]"
1 5 ARG 0.005 0.005 1 0 "[ ]"
1 6 VAL 0.005 0.005 1 0 "[ ]"
1 7 PRO 0.004 0.004 1 0 "[ ]"
1 8 ASP 0.004 0.004 1 0 "[ ]"
1 9 ILE 0.014 0.014 1 0 "[ ]"
1 10 GLY 0.000 0.000 . 0 "[ ]"
1 11 GLY 0.000 0.000 . 0 "[ ]"
1 12 ASP 0.000 0.000 . 0 "[ ]"
1 13 GLY 0.000 0.000 . 0 "[ ]"
1 14 GLU 0.000 0.000 . 0 "[ ]"
1 15 VAL 0.000 0.000 . 0 "[ ]"
1 16 ILE 0.000 0.000 . 0 "[ ]"
1 17 GLU 0.000 0.000 . 0 "[ ]"
1 18 LEU 0.000 0.000 . 0 "[ ]"
1 19 LEU 0.000 0.000 . 0 "[ ]"
1 20 VAL 0.000 0.000 . 0 "[ ]"
1 21 LYS 0.000 0.000 . 0 "[ ]"
1 22 THR 0.000 0.000 . 0 "[ ]"
1 23 GLY 0.000 0.000 . 0 "[ ]"
1 24 ASP 0.000 0.000 1 0 "[ ]"
1 25 LEU 0.000 0.000 1 0 "[ ]"
1 26 ILE 0.110 0.068 1 0 "[ ]"
1 27 GLU 0.039 0.020 1 0 "[ ]"
1 28 VAL 0.001 0.001 1 0 "[ ]"
1 29 GLU 0.045 0.045 1 0 "[ ]"
1 30 GLN 0.000 0.000 . 0 "[ ]"
1 31 GLY 0.010 0.010 1 0 "[ ]"
1 32 LEU 0.000 0.000 . 0 "[ ]"
1 33 VAL 0.006 0.004 1 0 "[ ]"
1 34 VAL 0.000 0.000 . 0 "[ ]"
1 35 LEU 0.000 0.000 . 0 "[ ]"
1 36 GLU 0.000 0.000 . 0 "[ ]"
1 37 SER 0.003 0.003 1 0 "[ ]"
1 38 ALA 0.000 0.000 . 0 "[ ]"
1 39 LYS 0.000 0.000 . 0 "[ ]"
1 40 ALA 0.003 0.003 1 0 "[ ]"
1 41 SER 0.000 0.000 . 0 "[ ]"
1 42 MET 0.000 0.000 . 0 "[ ]"
1 43 GLU 0.000 0.000 . 0 "[ ]"
1 44 VAL 0.006 0.004 1 0 "[ ]"
1 45 PRO 0.029 0.019 1 0 "[ ]"
1 46 SER 0.020 0.019 1 0 "[ ]"
1 47 PRO 0.027 0.027 1 0 "[ ]"
1 48 LYS 0.027 0.027 1 0 "[ ]"
1 49 ALA 0.000 0.000 . 0 "[ ]"
1 50 GLY 0.009 0.006 1 0 "[ ]"
1 51 VAL 0.000 0.000 . 0 "[ ]"
1 52 VAL 0.000 0.000 . 0 "[ ]"
1 53 LYS 0.000 0.000 . 0 "[ ]"
1 54 SER 0.000 0.000 . 0 "[ ]"
1 55 VAL 0.000 0.000 . 0 "[ ]"
1 56 SER 0.000 0.000 . 0 "[ ]"
1 57 VAL 0.000 0.000 . 0 "[ ]"
1 58 LYS 0.000 0.000 . 0 "[ ]"
1 59 LEU 0.000 0.000 . 0 "[ ]"
1 60 GLY 0.000 0.000 . 0 "[ ]"
1 61 ASP 0.000 0.000 . 0 "[ ]"
1 62 LYS 0.000 0.000 . 0 "[ ]"
1 63 LEU 0.000 0.000 . 0 "[ ]"
1 64 LYS 0.000 0.000 . 0 "[ ]"
1 65 GLU 0.044 0.044 1 0 "[ ]"
1 66 GLY 0.000 0.000 . 0 "[ ]"
1 67 ASP 0.000 0.000 . 0 "[ ]"
1 68 ALA 0.000 0.000 . 0 "[ ]"
1 69 ILE 0.000 0.000 . 0 "[ ]"
1 70 ILE 0.000 0.000 . 0 "[ ]"
1 71 GLU 0.000 0.000 . 0 "[ ]"
1 72 LEU 0.006 0.006 1 0 "[ ]"
1 73 GLU 0.000 0.000 . 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 SER HA 1 2 GLU H 2.700 . 2.700 2.428 2.428 2.428 . 0 0 "[ ]" 1
2 1 1 SER HB3 1 2 GLU H 5.000 . 5.000 3.897 3.897 3.897 . 0 0 "[ ]" 1
3 1 1 SER HB2 1 2 GLU H 5.000 . 5.000 2.552 2.552 2.552 . 0 0 "[ ]" 1
4 1 1 SER QB 1 2 GLU H 4.100 . 4.100 2.520 2.520 2.520 . 0 0 "[ ]" 1
5 1 2 GLU H 1 2 GLU QG 3.300 . 4.300 3.054 3.054 3.054 . 0 0 "[ ]" 1
6 1 2 GLU H 1 73 GLU HA 5.000 . 5.000 3.999 3.999 3.999 . 0 0 "[ ]" 1
7 1 2 GLU HA 1 3 ILE H 2.700 . 2.700 2.293 2.293 2.293 . 0 0 "[ ]" 1
8 1 3 ILE H 1 3 ILE HB 2.700 . 2.700 2.386 2.386 2.386 . 0 0 "[ ]" 1
9 1 3 ILE HA 1 4 ILE H 2.700 . 2.700 2.251 2.251 2.251 . 0 0 "[ ]" 1
10 1 4 ILE H 1 4 ILE HB 2.700 . 2.700 2.479 2.479 2.479 . 0 0 "[ ]" 1
11 1 4 ILE H 1 70 ILE H 3.300 . 3.300 3.274 3.274 3.274 . 0 0 "[ ]" 1
12 1 4 ILE H 1 71 GLU HA 3.300 . 3.300 3.256 3.256 3.256 . 0 0 "[ ]" 1
13 1 5 ARG HA 1 5 ARG QG 3.300 . 3.900 3.302 3.302 3.302 . 0 0 "[ ]" 1
14 1 5 ARG HA 1 6 VAL HB 5.000 . 5.000 5.005 5.005 5.005 0.005 1 0 "[ ]" 1
15 1 5 ARG HA 1 6 VAL MG2 5.000 . 6.500 3.935 3.935 3.935 . 0 0 "[ ]" 1
16 1 5 ARG HA 1 68 ALA HA 2.700 . 2.700 2.120 2.120 2.120 . 0 0 "[ ]" 1
17 1 5 ARG HA 1 69 ILE MD 5.000 . 6.500 3.613 3.613 3.613 . 0 0 "[ ]" 1
18 1 4 ILE HA 1 5 ARG H 2.700 . 2.700 2.224 2.224 2.224 . 0 0 "[ ]" 1
19 1 5 ARG H 1 5 ARG QB 2.700 . 3.300 2.714 2.714 2.714 . 0 0 "[ ]" 1
20 1 6 VAL HA 1 6 VAL MG1 2.700 . 3.800 2.495 2.495 2.495 . 0 0 "[ ]" 1
21 1 6 VAL HA 1 69 ILE MD 3.300 . 4.800 3.451 3.451 3.451 . 0 0 "[ ]" 1
22 1 5 ARG HA 1 6 VAL H 2.700 . 2.700 2.609 2.609 2.609 . 0 0 "[ ]" 1
23 1 5 ARG QB 1 6 VAL H 5.000 . 6.000 2.152 2.152 2.152 . 0 0 "[ ]" 1
24 1 5 ARG QG 1 6 VAL H 3.300 . 4.300 3.188 3.188 3.188 . 0 0 "[ ]" 1
25 1 6 VAL H 1 6 VAL HB 2.700 . 2.700 2.405 2.405 2.405 . 0 0 "[ ]" 1
26 1 6 VAL H 1 6 VAL MG2 2.700 . 4.200 2.311 2.311 2.311 . 0 0 "[ ]" 1
27 1 6 VAL H 1 67 ASP H 5.000 . 5.000 3.462 3.462 3.462 . 0 0 "[ ]" 1
28 1 6 VAL H 1 69 ILE MD 5.000 . 6.500 3.145 3.145 3.145 . 0 0 "[ ]" 1
29 1 6 VAL H 1 7 PRO QD 5.000 . 6.000 4.245 4.245 4.245 . 0 0 "[ ]" 1
30 1 7 PRO HA 1 7 PRO QD 4.100 . 4.100 3.496 3.496 3.496 . 0 0 "[ ]" 1
31 1 6 VAL MG1 1 7 PRO QD 3.300 . 5.800 1.776 1.776 1.776 . 0 0 "[ ]" 1
32 1 7 PRO QD 1 69 ILE MD 5.000 . 7.500 4.252 4.252 4.252 . 0 0 "[ ]" 1
33 1 7 PRO HA 1 8 ASP H 2.700 . 2.700 2.704 2.704 2.704 0.004 1 0 "[ ]" 1
34 1 7 PRO HB3 1 8 ASP H 5.000 . 5.000 3.264 3.264 3.264 . 0 0 "[ ]" 1
35 1 7 PRO HB2 1 8 ASP H 5.000 . 5.000 2.132 2.132 2.132 . 0 0 "[ ]" 1
36 1 7 PRO QB 1 8 ASP H 3.900 . 3.900 2.105 2.105 2.105 . 0 0 "[ ]" 1
37 1 7 PRO QG 1 8 ASP H 5.000 . 6.000 3.881 3.881 3.881 . 0 0 "[ ]" 1
38 1 8 ASP H 1 8 ASP HB3 2.700 . 2.700 2.537 2.537 2.537 . 0 0 "[ ]" 1
39 1 8 ASP H 1 8 ASP HB2 2.700 . 2.700 2.672 2.672 2.672 . 0 0 "[ ]" 1
40 1 8 ASP H 1 9 ILE MG 5.000 . 6.500 5.272 5.272 5.272 . 0 0 "[ ]" 1
41 1 8 ASP QB 1 9 ILE H 5.000 . 6.000 3.949 3.949 3.949 . 0 0 "[ ]" 1
42 1 9 ILE H 1 9 ILE HB 3.300 . 3.300 3.314 3.314 3.314 0.014 1 0 "[ ]" 1
43 1 9 ILE H 1 9 ILE MD 5.000 . 6.500 3.550 3.550 3.550 . 0 0 "[ ]" 1
44 1 9 ILE H 1 9 ILE HG13 5.000 . 5.000 1.873 1.873 1.873 . 0 0 "[ ]" 1
45 1 9 ILE H 1 9 ILE HG12 5.000 . 5.000 2.300 2.300 2.300 . 0 0 "[ ]" 1
46 1 9 ILE H 1 9 ILE QG 3.900 . 3.900 1.795 1.795 1.795 . 0 0 "[ ]" 1
47 1 10 GLY H 1 11 GLY H 3.300 . 3.300 2.222 2.222 2.222 . 0 0 "[ ]" 1
48 1 9 ILE HA 1 10 GLY H 5.000 . 5.000 3.514 3.514 3.514 . 0 0 "[ ]" 1
49 1 9 ILE QG 1 10 GLY H 5.000 . 6.000 2.705 2.705 2.705 . 0 0 "[ ]" 1
50 1 9 ILE H 1 10 GLY H 2.700 . 2.700 2.045 2.045 2.045 . 0 0 "[ ]" 1
51 1 10 GLY HA3 1 11 GLY H 5.000 . 5.000 3.385 3.385 3.385 . 0 0 "[ ]" 1
52 1 10 GLY HA2 1 11 GLY H 5.000 . 5.000 3.191 3.191 3.191 . 0 0 "[ ]" 1
53 1 9 ILE MD 1 11 GLY H 5.000 . 6.500 3.590 3.590 3.590 . 0 0 "[ ]" 1
54 1 9 ILE HG13 1 11 GLY H 5.000 . 5.000 3.019 3.019 3.019 . 0 0 "[ ]" 1
55 1 9 ILE HG12 1 11 GLY H 5.000 . 5.000 4.581 4.581 4.581 . 0 0 "[ ]" 1
56 1 9 ILE QG 1 11 GLY H 4.100 . 4.100 2.980 2.980 2.980 . 0 0 "[ ]" 1
57 1 9 ILE MD 1 12 ASP HA 3.300 . 4.800 3.710 3.710 3.710 . 0 0 "[ ]" 1
58 1 11 GLY HA3 1 12 ASP H 3.300 . 3.300 2.324 2.324 2.324 . 0 0 "[ ]" 1
59 1 11 GLY HA2 1 12 ASP H 3.300 . 3.300 2.949 2.949 2.949 . 0 0 "[ ]" 1
60 1 11 GLY QA 1 12 ASP H 2.900 . 2.900 2.242 2.242 2.242 . 0 0 "[ ]" 1
61 1 12 ASP H 1 12 ASP QB 3.300 . 3.900 2.248 2.248 2.248 . 0 0 "[ ]" 1
62 1 13 GLY QA 1 35 LEU HB3 3.300 . 4.300 3.006 3.006 3.006 . 0 0 "[ ]" 1
63 1 9 ILE MD 1 13 GLY QA 3.300 . 5.800 2.436 2.436 2.436 . 0 0 "[ ]" 1
64 1 9 ILE MG 1 13 GLY QA 3.300 . 5.800 3.859 3.859 3.859 . 0 0 "[ ]" 1
65 1 12 ASP HA 1 13 GLY H 2.700 . 2.700 2.315 2.315 2.315 . 0 0 "[ ]" 1
66 1 12 ASP QB 1 13 GLY H 5.000 . 6.000 2.815 2.815 2.815 . 0 0 "[ ]" 1
67 1 9 ILE MD 1 13 GLY H 5.000 . 6.500 3.302 3.302 3.302 . 0 0 "[ ]" 1
68 1 14 GLU HA 1 14 GLU QG 2.700 . 3.300 2.132 2.132 2.132 . 0 0 "[ ]" 1
69 1 14 GLU HA 1 15 VAL MG2 5.000 . 6.500 3.519 3.519 3.519 . 0 0 "[ ]" 1
70 1 14 GLU HA 1 62 LYS HA 2.700 . 2.700 2.307 2.307 2.307 . 0 0 "[ ]" 1
71 1 13 GLY QA 1 14 GLU H 5.000 . 6.000 2.171 2.171 2.171 . 0 0 "[ ]" 1
72 1 14 GLU H 1 14 GLU QB 2.700 . 3.300 2.222 2.222 2.222 . 0 0 "[ ]" 1
73 1 14 GLU H 1 35 LEU HA 5.000 . 5.000 4.311 4.311 4.311 . 0 0 "[ ]" 1
74 1 14 GLU H 1 37 SER HA 5.000 . 5.000 4.404 4.404 4.404 . 0 0 "[ ]" 1
75 1 15 VAL HA 1 15 VAL MG1 2.700 . 3.800 2.300 2.300 2.300 . 0 0 "[ ]" 1
76 1 14 GLU HA 1 15 VAL H 2.700 . 2.700 2.198 2.198 2.198 . 0 0 "[ ]" 1
77 1 14 GLU QB 1 15 VAL H 3.300 . 4.300 3.469 3.469 3.469 . 0 0 "[ ]" 1
78 1 14 GLU QG 1 15 VAL H 5.000 . 6.000 3.214 3.214 3.214 . 0 0 "[ ]" 1
79 1 15 VAL H 1 15 VAL HB 2.700 . 2.700 2.570 2.570 2.570 . 0 0 "[ ]" 1
80 1 15 VAL H 1 15 VAL MG2 2.700 . 4.200 1.974 1.974 1.974 . 0 0 "[ ]" 1
81 1 15 VAL H 1 61 ASP H 5.000 . 5.000 4.422 4.422 4.422 . 0 0 "[ ]" 1
82 1 15 VAL H 1 62 LYS HA 5.000 . 5.000 2.989 2.989 2.989 . 0 0 "[ ]" 1
83 1 15 VAL HA 1 16 ILE H 2.700 . 2.700 2.208 2.208 2.208 . 0 0 "[ ]" 1
84 1 15 VAL MG1 1 16 ILE H 3.300 . 4.800 2.636 2.636 2.636 . 0 0 "[ ]" 1
85 1 16 ILE H 1 17 GLU H 2.700 . 2.700 2.342 2.342 2.342 . 0 0 "[ ]" 1
86 1 16 ILE H 1 35 LEU HA 3.300 . 3.300 2.939 2.939 2.939 . 0 0 "[ ]" 1
87 1 15 VAL HA 1 17 GLU H 5.000 . 5.000 4.300 4.300 4.300 . 0 0 "[ ]" 1
88 1 17 GLU H 1 34 VAL QG 5.000 . 8.400 3.424 3.424 3.424 . 0 0 "[ ]" 1
89 1 17 GLU HA 1 18 LEU H 2.700 . 2.700 2.436 2.436 2.436 . 0 0 "[ ]" 1
90 1 17 GLU HG3 1 18 LEU H 5.000 . 5.000 2.677 2.677 2.677 . 0 0 "[ ]" 1
91 1 17 GLU HG2 1 18 LEU H 5.000 . 5.000 2.437 2.437 2.437 . 0 0 "[ ]" 1
92 1 18 LEU H 1 18 LEU HB3 3.300 . 3.300 3.089 3.089 3.089 . 0 0 "[ ]" 1
93 1 18 LEU H 1 18 LEU HB2 3.300 . 3.300 2.727 2.727 2.727 . 0 0 "[ ]" 1
94 1 18 LEU H 1 18 LEU MD1 5.000 . 6.500 3.975 3.975 3.975 . 0 0 "[ ]" 1
95 1 18 LEU H 1 18 LEU MD2 5.000 . 6.500 4.635 4.635 4.635 . 0 0 "[ ]" 1
96 1 18 LEU H 1 18 LEU QD 5.200 . 5.200 3.760 3.760 3.760 . 0 0 "[ ]" 1
97 1 19 LEU H 1 19 LEU HG 2.700 . 2.700 1.881 1.881 1.881 . 0 0 "[ ]" 1
98 1 19 LEU H 1 20 VAL H 3.300 . 3.300 2.917 2.917 2.917 . 0 0 "[ ]" 1
99 1 19 LEU H 1 33 VAL HA 3.300 . 3.300 3.096 3.096 3.096 . 0 0 "[ ]" 1
100 1 19 LEU H 1 33 VAL MG1 5.000 . 6.500 3.580 3.580 3.580 . 0 0 "[ ]" 1
101 1 18 LEU QB 1 20 VAL H 5.000 . 6.000 3.187 3.187 3.187 . 0 0 "[ ]" 1
102 1 19 LEU HA 1 20 VAL H 3.300 . 3.300 2.895 2.895 2.895 . 0 0 "[ ]" 1
103 1 19 LEU QB 1 20 VAL H 5.000 . 6.000 4.041 4.041 4.041 . 0 0 "[ ]" 1
104 1 19 LEU HG 1 20 VAL H 5.000 . 5.000 3.663 3.663 3.663 . 0 0 "[ ]" 1
105 1 20 VAL H 1 20 VAL MG1 3.300 . 4.800 3.193 3.193 3.193 . 0 0 "[ ]" 1
106 1 20 VAL H 1 20 VAL MG2 2.700 . 4.200 1.946 1.946 1.946 . 0 0 "[ ]" 1
107 1 20 VAL HA 1 21 LYS H 2.700 . 2.700 2.522 2.522 2.522 . 0 0 "[ ]" 1
108 1 20 VAL HB 1 21 LYS H 2.700 . 2.700 2.301 2.301 2.301 . 0 0 "[ ]" 1
109 1 21 LYS H 1 21 LYS QB 3.300 . 3.900 2.663 2.663 2.663 . 0 0 "[ ]" 1
110 1 21 LYS H 1 24 ASP HB3 5.000 . 5.000 3.589 3.589 3.589 . 0 0 "[ ]" 1
111 1 21 LYS H 1 24 ASP HB2 3.300 . 3.300 2.512 2.512 2.512 . 0 0 "[ ]" 1
112 1 22 THR HA 1 22 THR MG 2.700 . 3.800 2.445 2.445 2.445 . 0 0 "[ ]" 1
113 1 22 THR HA 1 52 VAL HB 3.300 . 3.300 2.201 2.201 2.201 . 0 0 "[ ]" 1
114 1 21 LYS QB 1 22 THR H 5.000 . 6.000 2.420 2.420 2.420 . 0 0 "[ ]" 1
115 1 22 THR H 1 22 THR HB 3.300 . 3.300 2.365 2.365 2.365 . 0 0 "[ ]" 1
116 1 22 THR H 1 22 THR MG 3.300 . 4.800 3.738 3.738 3.738 . 0 0 "[ ]" 1
117 1 22 THR MG 1 23 GLY QA 3.300 . 5.800 2.993 2.993 2.993 . 0 0 "[ ]" 1
118 1 23 GLY QA 1 51 VAL MG1 3.300 . 5.800 3.649 3.649 3.649 . 0 0 "[ ]" 1
119 1 22 THR HA 1 23 GLY H 2.700 . 2.700 2.219 2.219 2.219 . 0 0 "[ ]" 1
120 1 22 THR HB 1 23 GLY H 5.000 . 5.000 4.227 4.227 4.227 . 0 0 "[ ]" 1
121 1 22 THR MG 1 23 GLY H 3.300 . 4.800 2.517 2.517 2.517 . 0 0 "[ ]" 1
122 1 23 GLY H 1 24 ASP H 2.700 . 2.700 2.530 2.530 2.530 . 0 0 "[ ]" 1
123 1 23 GLY H 1 52 VAL HB 2.700 . 2.700 2.117 2.117 2.117 . 0 0 "[ ]" 1
124 1 23 GLY H 1 52 VAL MG2 5.000 . 6.500 3.827 3.827 3.827 . 0 0 "[ ]" 1
125 1 22 THR HA 1 24 ASP H 5.000 . 5.000 3.281 3.281 3.281 . 0 0 "[ ]" 1
126 1 22 THR MG 1 24 ASP H 5.000 . 6.500 4.248 4.248 4.248 . 0 0 "[ ]" 1
127 1 23 GLY HA3 1 24 ASP H 5.000 . 5.000 3.271 3.271 3.271 . 0 0 "[ ]" 1
128 1 23 GLY HA2 1 24 ASP H 5.000 . 5.000 3.322 3.322 3.322 . 0 0 "[ ]" 1
129 1 24 ASP H 1 24 ASP HB2 2.700 . 2.700 2.282 2.282 2.282 . 0 0 "[ ]" 1
130 1 24 ASP H 1 51 VAL QG 5.000 . 8.400 3.200 3.200 3.200 . 0 0 "[ ]" 1
131 1 24 ASP H 1 52 VAL HB 2.700 . 2.700 2.579 2.579 2.579 . 0 0 "[ ]" 1
132 1 24 ASP H 1 52 VAL MG1 5.000 . 6.500 4.077 4.077 4.077 . 0 0 "[ ]" 1
133 1 24 ASP HB3 1 25 LEU H 3.300 . 3.300 3.300 3.300 3.300 0.000 1 0 "[ ]" 1
134 1 24 ASP HB2 1 25 LEU H 5.000 . 5.000 4.326 4.326 4.326 . 0 0 "[ ]" 1
135 1 25 LEU H 1 25 LEU HB3 3.300 . 3.300 2.855 2.855 2.855 . 0 0 "[ ]" 1
136 1 25 LEU H 1 25 LEU HB2 3.300 . 3.300 2.407 2.407 2.407 . 0 0 "[ ]" 1
137 1 25 LEU H 1 25 LEU QB 2.900 . 2.900 2.287 2.287 2.287 . 0 0 "[ ]" 1
138 1 25 LEU H 1 25 LEU QD 3.300 . 6.700 3.641 3.641 3.641 . 0 0 "[ ]" 1
139 1 26 ILE HA 1 26 ILE MD 3.300 . 4.800 3.900 3.900 3.900 . 0 0 "[ ]" 1
140 1 25 LEU HA 1 26 ILE H 3.300 . 3.300 2.195 2.195 2.195 . 0 0 "[ ]" 1
141 1 26 ILE H 1 26 ILE HB 2.700 . 2.700 2.768 2.768 2.768 0.068 1 0 "[ ]" 1
142 1 26 ILE H 1 50 GLY H 3.300 . 3.300 3.303 3.303 3.303 0.003 1 0 "[ ]" 1
143 1 26 ILE HA 1 27 GLU H 2.700 . 2.700 2.719 2.719 2.719 0.019 1 0 "[ ]" 1
144 1 26 ILE HB 1 27 GLU H 2.700 . 2.700 2.720 2.720 2.720 0.020 1 0 "[ ]" 1
145 1 26 ILE MD 1 27 GLU H 5.000 . 6.500 4.168 4.168 4.168 . 0 0 "[ ]" 1
146 1 27 GLU H 1 27 GLU HG3 5.000 . 5.000 3.600 3.600 3.600 . 0 0 "[ ]" 1
147 1 27 GLU H 1 27 GLU HG2 5.000 . 5.000 4.354 4.354 4.354 . 0 0 "[ ]" 1
148 1 27 GLU H 1 30 GLN HB3 5.000 . 5.000 3.380 3.380 3.380 . 0 0 "[ ]" 1
149 1 27 GLU H 1 30 GLN HB2 5.000 . 5.000 3.156 3.156 3.156 . 0 0 "[ ]" 1
150 1 27 GLU H 1 30 GLN QB 4.100 . 4.100 2.899 2.899 2.899 . 0 0 "[ ]" 1
151 1 28 VAL HA 1 28 VAL HB 2.700 . 2.700 2.475 2.475 2.475 . 0 0 "[ ]" 1
152 1 28 VAL HA 1 28 VAL QG 2.700 . 4.300 2.342 2.342 2.342 . 0 0 "[ ]" 1
153 1 28 VAL HA 1 29 GLU QB 5.000 . 6.000 4.320 4.320 4.320 . 0 0 "[ ]" 1
154 1 27 GLU QB 1 28 VAL H 3.300 . 4.300 2.392 2.392 2.392 . 0 0 "[ ]" 1
155 1 27 GLU QG 1 28 VAL H 5.000 . 6.000 3.478 3.478 3.478 . 0 0 "[ ]" 1
156 1 28 VAL H 1 28 VAL HB 2.700 . 2.700 2.677 2.677 2.677 . 0 0 "[ ]" 1
157 1 28 VAL HA 1 29 GLU H 2.700 . 2.700 2.428 2.428 2.428 . 0 0 "[ ]" 1
158 1 28 VAL HB 1 29 GLU H 5.000 . 5.000 4.661 4.661 4.661 . 0 0 "[ ]" 1
159 1 29 GLU H 1 29 GLU HA 2.700 . 2.700 2.745 2.745 2.745 0.045 1 0 "[ ]" 1
160 1 29 GLU H 1 30 GLN H 3.300 . 3.300 2.446 2.446 2.446 . 0 0 "[ ]" 1
161 1 29 GLU H 1 46 SER QB 5.000 . 6.000 3.379 3.379 3.379 . 0 0 "[ ]" 1
162 1 30 GLN HA 1 30 GLN QG 2.700 . 3.300 1.988 1.988 1.988 . 0 0 "[ ]" 1
163 1 20 VAL MG1 1 30 GLN QE 3.300 . 5.800 3.650 3.650 3.650 . 0 0 "[ ]" 1
164 1 26 ILE HA 1 30 GLN QE 5.000 . 6.000 2.969 2.969 2.969 . 0 0 "[ ]" 1
165 1 26 ILE MD 1 30 GLN QE 5.000 . 7.500 4.354 4.354 4.354 . 0 0 "[ ]" 1
166 1 28 VAL HA 1 30 GLN H 5.000 . 5.000 4.588 4.588 4.588 . 0 0 "[ ]" 1
167 1 29 GLU HA 1 30 GLN H 5.000 . 5.000 3.575 3.575 3.575 . 0 0 "[ ]" 1
168 1 30 GLN H 1 30 GLN HB3 3.300 . 3.300 3.186 3.186 3.186 . 0 0 "[ ]" 1
169 1 30 GLN H 1 30 GLN HB2 3.300 . 3.300 2.109 2.109 2.109 . 0 0 "[ ]" 1
170 1 19 LEU QD 1 31 GLY QA 2.700 . 7.100 2.510 2.510 2.510 . 0 0 "[ ]" 1
171 1 30 GLN HA 1 31 GLY H 2.700 . 2.700 2.280 2.280 2.280 . 0 0 "[ ]" 1
172 1 30 GLN HB3 1 31 GLY H 5.000 . 5.000 3.432 3.432 3.432 . 0 0 "[ ]" 1
173 1 30 GLN HB2 1 31 GLY H 5.000 . 5.000 4.321 4.321 4.321 . 0 0 "[ ]" 1
174 1 30 GLN QB 1 31 GLY H 4.100 . 4.100 3.306 3.306 3.306 . 0 0 "[ ]" 1
175 1 30 GLN QG 1 31 GLY H 3.300 . 4.300 2.592 2.592 2.592 . 0 0 "[ ]" 1
176 1 30 GLN H 1 31 GLY H 5.000 . 5.000 4.680 4.680 4.680 . 0 0 "[ ]" 1
177 1 19 LEU QD 1 32 LEU H 5.000 . 8.400 3.121 3.121 3.121 . 0 0 "[ ]" 1
178 1 31 GLY HA3 1 32 LEU H 3.300 . 3.300 2.756 2.756 2.756 . 0 0 "[ ]" 1
179 1 31 GLY HA2 1 32 LEU H 3.300 . 3.300 2.475 2.475 2.475 . 0 0 "[ ]" 1
180 1 31 GLY QA 1 32 LEU H 2.900 . 2.900 2.307 2.307 2.307 . 0 0 "[ ]" 1
181 1 32 LEU H 1 32 LEU QB 3.300 . 3.900 2.567 2.567 2.567 . 0 0 "[ ]" 1
182 1 32 LEU H 1 33 VAL H 2.700 . 2.700 2.078 2.078 2.078 . 0 0 "[ ]" 1
183 1 32 LEU H 1 45 PRO HA 3.300 . 3.300 2.166 2.166 2.166 . 0 0 "[ ]" 1
184 1 19 LEU QD 1 33 VAL H 5.000 . 8.400 3.445 3.445 3.445 . 0 0 "[ ]" 1
185 1 31 GLY QA 1 33 VAL H 5.000 . 6.000 4.030 4.030 4.030 . 0 0 "[ ]" 1
186 1 32 LEU QB 1 33 VAL H 2.700 . 3.700 2.436 2.436 2.436 . 0 0 "[ ]" 1
187 1 32 LEU HG 1 33 VAL H 5.000 . 5.000 4.683 4.683 4.683 . 0 0 "[ ]" 1
188 1 33 VAL H 1 33 VAL MG2 3.300 . 4.800 2.233 2.233 2.233 . 0 0 "[ ]" 1
189 1 33 VAL H 1 44 VAL HB 3.300 . 3.300 3.302 3.302 3.302 0.002 1 0 "[ ]" 1
190 1 34 VAL HA 1 43 GLU HA 2.700 . 2.700 2.329 2.329 2.329 . 0 0 "[ ]" 1
191 1 15 VAL MG1 1 34 VAL H 5.000 . 6.500 3.508 3.508 3.508 . 0 0 "[ ]" 1
192 1 17 GLU H 1 34 VAL H 3.300 . 3.300 2.975 2.975 2.975 . 0 0 "[ ]" 1
193 1 33 VAL HA 1 34 VAL H 2.700 . 2.700 2.511 2.511 2.511 . 0 0 "[ ]" 1
194 1 33 VAL HB 1 34 VAL H 3.300 . 3.300 2.344 2.344 2.344 . 0 0 "[ ]" 1
195 1 34 VAL H 1 34 VAL HB 2.700 . 2.700 2.655 2.655 2.655 . 0 0 "[ ]" 1
196 1 34 VAL H 1 34 VAL QG 2.700 . 5.400 2.834 2.834 2.834 . 0 0 "[ ]" 1
197 1 15 VAL HA 1 35 LEU HA 2.700 . 2.700 2.693 2.693 2.693 . 0 0 "[ ]" 1
198 1 35 LEU HA 1 35 LEU HB3 2.700 . 2.700 2.446 2.446 2.446 . 0 0 "[ ]" 1
199 1 35 LEU HA 1 35 LEU QD 2.700 . 5.400 2.786 2.786 2.786 . 0 0 "[ ]" 1
200 1 33 VAL MG2 1 35 LEU H 3.300 . 4.800 3.483 3.483 3.483 . 0 0 "[ ]" 1
201 1 34 VAL HA 1 35 LEU H 3.300 . 3.300 2.293 2.293 2.293 . 0 0 "[ ]" 1
202 1 34 VAL QG 1 35 LEU H 5.000 . 8.400 3.173 3.173 3.173 . 0 0 "[ ]" 1
203 1 35 LEU H 1 43 GLU HA 5.000 . 5.000 2.860 2.860 2.860 . 0 0 "[ ]" 1
204 1 36 GLU HA 1 36 GLU QG 2.700 . 3.300 2.328 2.328 2.328 . 0 0 "[ ]" 1
205 1 14 GLU H 1 36 GLU H 3.300 . 3.300 2.996 2.996 2.996 . 0 0 "[ ]" 1
206 1 15 VAL HA 1 36 GLU H 5.000 . 5.000 4.260 4.260 4.260 . 0 0 "[ ]" 1
207 1 35 LEU HA 1 36 GLU H 2.700 . 2.700 2.287 2.287 2.287 . 0 0 "[ ]" 1
208 1 35 LEU HB3 1 36 GLU H 3.300 . 3.300 2.937 2.937 2.937 . 0 0 "[ ]" 1
209 1 35 LEU HB2 1 36 GLU H 5.000 . 5.000 3.905 3.905 3.905 . 0 0 "[ ]" 1
210 1 36 GLU H 1 36 GLU HB3 3.300 . 3.300 2.645 2.645 2.645 . 0 0 "[ ]" 1
211 1 36 GLU H 1 36 GLU HB2 3.300 . 3.300 2.858 2.858 2.858 . 0 0 "[ ]" 1
212 1 36 GLU HA 1 37 SER H 2.700 . 2.700 2.275 2.275 2.275 . 0 0 "[ ]" 1
213 1 36 GLU HB3 1 37 SER H 5.000 . 5.000 3.889 3.889 3.889 . 0 0 "[ ]" 1
214 1 36 GLU HB2 1 37 SER H 5.000 . 5.000 4.161 4.161 4.161 . 0 0 "[ ]" 1
215 1 36 GLU QG 1 37 SER H 3.300 . 4.300 2.305 2.305 2.305 . 0 0 "[ ]" 1
216 1 37 SER H 1 40 ALA H 3.300 . 3.300 3.303 3.303 3.303 0.003 1 0 "[ ]" 1
217 1 37 SER H 1 41 SER HA 3.300 . 3.300 2.057 2.057 2.057 . 0 0 "[ ]" 1
218 1 37 SER HA 1 38 ALA H 2.700 . 2.700 2.686 2.686 2.686 . 0 0 "[ ]" 1
219 1 37 SER QB 1 38 ALA H 2.700 . 3.700 2.178 2.178 2.178 . 0 0 "[ ]" 1
220 1 38 ALA H 1 38 ALA MB 2.700 . 3.800 2.116 2.116 2.116 . 0 0 "[ ]" 1
221 1 38 ALA H 1 39 LYS H 3.300 . 3.300 2.453 2.453 2.453 . 0 0 "[ ]" 1
222 1 39 LYS H 1 40 ALA H 3.300 . 3.300 1.959 1.959 1.959 . 0 0 "[ ]" 1
223 1 39 LYS HA 1 40 ALA H 5.000 . 5.000 3.088 3.088 3.088 . 0 0 "[ ]" 1
224 1 40 ALA H 1 40 ALA MB 3.300 . 4.400 2.993 2.993 2.993 . 0 0 "[ ]" 1
225 1 34 VAL QG 1 41 SER HA 5.000 . 8.400 4.856 4.856 4.856 . 0 0 "[ ]" 1
226 1 36 GLU HA 1 41 SER HA 2.700 . 2.700 1.858 1.858 1.858 . 0 0 "[ ]" 1
227 1 36 GLU QG 1 41 SER HA 5.000 . 6.000 2.898 2.898 2.898 . 0 0 "[ ]" 1
228 1 34 VAL QG 1 41 SER QB 3.300 . 7.700 3.131 3.131 3.131 . 0 0 "[ ]" 1
229 1 40 ALA MB 1 41 SER H 3.300 . 4.800 2.983 2.983 2.983 . 0 0 "[ ]" 1
230 1 41 SER H 1 41 SER QB 3.300 . 3.900 2.787 2.787 2.787 . 0 0 "[ ]" 1
231 1 34 VAL QG 1 42 MET H 3.300 . 6.700 4.412 4.412 4.412 . 0 0 "[ ]" 1
232 1 36 GLU HA 1 42 MET H 5.000 . 5.000 2.988 2.988 2.988 . 0 0 "[ ]" 1
233 1 40 ALA MB 1 42 MET H 5.000 . 6.500 4.995 4.995 4.995 . 0 0 "[ ]" 1
234 1 41 SER HA 1 42 MET H 2.700 . 2.700 2.216 2.216 2.216 . 0 0 "[ ]" 1
235 1 41 SER QB 1 42 MET H 3.300 . 4.300 3.157 3.157 3.157 . 0 0 "[ ]" 1
236 1 42 MET H 1 42 MET QB 3.300 . 3.900 2.549 2.549 2.549 . 0 0 "[ ]" 1
237 1 42 MET H 1 42 MET QG 3.300 . 4.300 2.736 2.736 2.736 . 0 0 "[ ]" 1
238 1 42 MET HA 1 43 GLU H 2.700 . 2.700 2.369 2.369 2.369 . 0 0 "[ ]" 1
239 1 42 MET QB 1 43 GLU H 5.000 . 6.000 2.623 2.623 2.623 . 0 0 "[ ]" 1
240 1 43 GLU H 1 43 GLU QB 2.700 . 3.300 2.755 2.755 2.755 . 0 0 "[ ]" 1
241 1 44 VAL HA 1 44 VAL QG 2.700 . 4.300 2.019 2.019 2.019 . 0 0 "[ ]" 1
242 1 33 VAL H 1 44 VAL H 2.700 . 2.700 2.704 2.704 2.704 0.004 1 0 "[ ]" 1
243 1 43 GLU HA 1 44 VAL H 2.700 . 2.700 2.347 2.347 2.347 . 0 0 "[ ]" 1
244 1 44 VAL H 1 44 VAL HB 3.300 . 3.300 2.776 2.776 2.776 . 0 0 "[ ]" 1
245 1 44 VAL H 1 44 VAL QG 3.300 . 6.000 2.748 2.748 2.748 . 0 0 "[ ]" 1
246 1 31 GLY HA3 1 45 PRO HA 3.300 . 3.300 3.310 3.310 3.310 0.010 1 0 "[ ]" 1
247 1 31 GLY HA2 1 45 PRO HA 3.300 . 3.300 1.858 1.858 1.858 . 0 0 "[ ]" 1
248 1 31 GLY QA 1 45 PRO HA 2.900 . 2.900 1.848 1.848 1.848 . 0 0 "[ ]" 1
249 1 26 ILE MD 1 46 SER HA 3.300 . 4.800 3.356 3.356 3.356 . 0 0 "[ ]" 1
250 1 19 LEU QD 1 46 SER QB 5.000 . 9.400 5.494 5.494 5.494 . 0 0 "[ ]" 1
251 1 26 ILE MD 1 46 SER QB 3.300 . 5.800 1.843 1.843 1.843 . 0 0 "[ ]" 1
252 1 26 ILE MD 1 46 SER HG 3.300 . 4.800 2.518 2.518 2.518 . 0 0 "[ ]" 1
253 1 28 VAL HA 1 46 SER HG 5.000 . 5.000 5.001 5.001 5.001 0.001 1 0 "[ ]" 1
254 1 46 SER HG 1 72 LEU QD 5.000 . 8.400 2.540 2.540 2.540 . 0 0 "[ ]" 1
255 1 30 GLN H 1 46 SER H 5.000 . 5.000 4.445 4.445 4.445 . 0 0 "[ ]" 1
256 1 45 PRO HA 1 46 SER H 2.700 . 2.700 2.719 2.719 2.719 0.019 1 0 "[ ]" 1
257 1 45 PRO QB 1 46 SER H 5.000 . 6.000 2.050 2.050 2.050 . 0 0 "[ ]" 1
258 1 45 PRO QG 1 46 SER H 3.300 . 4.300 3.828 3.828 3.828 . 0 0 "[ ]" 1
259 1 46 SER H 1 46 SER HB3 3.300 . 3.300 2.233 2.233 2.233 . 0 0 "[ ]" 1
260 1 46 SER H 1 46 SER HB2 3.300 . 3.300 3.070 3.070 3.070 . 0 0 "[ ]" 1
261 1 46 SER H 1 46 SER QB 2.900 . 2.900 2.182 2.182 2.182 . 0 0 "[ ]" 1
262 1 46 SER H 1 46 SER HG 5.000 . 5.000 4.542 4.542 4.542 . 0 0 "[ ]" 1
263 1 28 VAL HA 1 48 LYS H 5.000 . 5.000 4.436 4.436 4.436 . 0 0 "[ ]" 1
264 1 46 SER HB3 1 48 LYS H 5.000 . 5.000 3.982 3.982 3.982 . 0 0 "[ ]" 1
265 1 46 SER HB2 1 48 LYS H 5.000 . 5.000 4.010 4.010 4.010 . 0 0 "[ ]" 1
266 1 46 SER HG 1 48 LYS H 2.700 . 2.700 2.701 2.701 2.701 0.001 1 0 "[ ]" 1
267 1 47 PRO HA 1 48 LYS H 3.300 . 3.300 3.327 3.327 3.327 0.027 1 0 "[ ]" 1
268 1 48 LYS H 1 48 LYS QB 3.300 . 3.900 2.780 2.780 2.780 . 0 0 "[ ]" 1
269 1 48 LYS H 1 72 LEU QD 5.000 . 8.400 3.395 3.395 3.395 . 0 0 "[ ]" 1
270 1 28 VAL HA 1 49 ALA H 5.000 . 5.000 4.936 4.936 4.936 . 0 0 "[ ]" 1
271 1 49 ALA H 1 49 ALA MB 2.700 . 3.800 2.159 2.159 2.159 . 0 0 "[ ]" 1
272 1 49 ALA H 1 72 LEU QD 5.000 . 8.400 3.807 3.807 3.807 . 0 0 "[ ]" 1
273 1 26 ILE HB 1 50 GLY H 5.000 . 5.000 3.479 3.479 3.479 . 0 0 "[ ]" 1
274 1 26 ILE MD 1 50 GLY H 5.000 . 6.500 4.285 4.285 4.285 . 0 0 "[ ]" 1
275 1 49 ALA MB 1 50 GLY H 5.000 . 6.500 3.606 3.606 3.606 . 0 0 "[ ]" 1
276 1 50 GLY H 1 72 LEU HB2 5.000 . 5.000 5.006 5.006 5.006 0.006 1 0 "[ ]" 1
277 1 50 GLY H 1 72 LEU QD 5.000 . 8.400 1.784 1.784 1.784 . 0 0 "[ ]" 1
278 1 50 GLY HA3 1 72 LEU QD 5.000 . 8.400 1.898 1.898 1.898 . 0 0 "[ ]" 1
279 1 50 GLY HA2 1 72 LEU QD 5.000 . 8.400 3.066 3.066 3.066 . 0 0 "[ ]" 1
280 1 50 GLY QA 1 72 LEU QD 5.200 . 5.200 1.881 1.881 1.881 . 0 0 "[ ]" 1
281 1 51 VAL HA 1 51 VAL MG2 3.300 . 4.400 2.423 2.423 2.423 . 0 0 "[ ]" 1
282 1 51 VAL HA 1 72 LEU QD 5.000 . 8.400 3.668 3.668 3.668 . 0 0 "[ ]" 1
283 1 51 VAL H 1 72 LEU QD 3.300 . 6.700 3.101 3.101 3.101 . 0 0 "[ ]" 1
284 1 22 THR HA 1 52 VAL H 5.000 . 5.000 4.811 4.811 4.811 . 0 0 "[ ]" 1
285 1 24 ASP H 1 52 VAL H 5.000 . 5.000 3.540 3.540 3.540 . 0 0 "[ ]" 1
286 1 51 VAL HA 1 52 VAL H 2.700 . 2.700 2.192 2.192 2.192 . 0 0 "[ ]" 1
287 1 52 VAL H 1 52 VAL HB 2.700 . 2.700 2.650 2.650 2.650 . 0 0 "[ ]" 1
288 1 52 VAL H 1 52 VAL MG1 3.300 . 4.800 3.777 3.777 3.777 . 0 0 "[ ]" 1
289 1 52 VAL H 1 52 VAL MG2 2.700 . 4.200 1.961 1.961 1.961 . 0 0 "[ ]" 1
290 1 52 VAL H 1 72 LEU QD 5.000 . 8.400 3.848 3.848 3.848 . 0 0 "[ ]" 1
291 1 52 VAL HA 1 53 LYS H 2.700 . 2.700 2.234 2.234 2.234 . 0 0 "[ ]" 1
292 1 52 VAL MG1 1 53 LYS H 5.000 . 6.500 2.319 2.319 2.319 . 0 0 "[ ]" 1
293 1 53 LYS H 1 53 LYS HB3 3.300 . 3.300 2.755 2.755 2.755 . 0 0 "[ ]" 1
294 1 53 LYS H 1 53 LYS HB2 3.300 . 3.300 2.822 2.822 2.822 . 0 0 "[ ]" 1
295 1 53 LYS H 1 54 SER H 2.700 . 2.700 2.073 2.073 2.073 . 0 0 "[ ]" 1
296 1 53 LYS H 1 72 LEU HA 3.300 . 3.300 3.026 3.026 3.026 . 0 0 "[ ]" 1
297 1 53 LYS H 1 72 LEU QD 5.000 . 8.400 5.154 5.154 5.154 . 0 0 "[ ]" 1
298 1 53 LYS HA 1 54 SER H 5.000 . 5.000 3.559 3.559 3.559 . 0 0 "[ ]" 1
299 1 53 LYS HB3 1 54 SER H 5.000 . 5.000 2.574 2.574 2.574 . 0 0 "[ ]" 1
300 1 53 LYS HB2 1 54 SER H 5.000 . 5.000 3.732 3.732 3.732 . 0 0 "[ ]" 1
301 1 53 LYS QB 1 54 SER H 4.100 . 4.100 2.530 2.530 2.530 . 0 0 "[ ]" 1
302 1 54 SER H 1 70 ILE HB 5.000 . 5.000 4.497 4.497 4.497 . 0 0 "[ ]" 1
303 1 54 SER H 1 71 GLU QB 3.300 . 4.300 3.096 3.096 3.096 . 0 0 "[ ]" 1
304 1 54 SER HA 1 55 VAL H 2.700 . 2.700 2.271 2.271 2.271 . 0 0 "[ ]" 1
305 1 55 VAL H 1 55 VAL HB 2.700 . 2.700 2.598 2.598 2.598 . 0 0 "[ ]" 1
306 1 55 VAL H 1 55 VAL MG2 3.300 . 4.800 2.559 2.559 2.559 . 0 0 "[ ]" 1
307 1 55 VAL HB 1 56 SER H 5.000 . 5.000 4.340 4.340 4.340 . 0 0 "[ ]" 1
308 1 55 VAL MG1 1 56 SER H 3.300 . 4.800 3.065 3.065 3.065 . 0 0 "[ ]" 1
309 1 56 SER H 1 57 VAL MG2 5.000 . 6.500 3.259 3.259 3.259 . 0 0 "[ ]" 1
310 1 56 SER H 1 57 VAL H 2.700 . 2.700 2.680 2.680 2.680 . 0 0 "[ ]" 1
311 1 56 SER H 1 70 ILE HA 2.700 . 2.700 2.347 2.347 2.347 . 0 0 "[ ]" 1
312 1 57 VAL HA 1 57 VAL HB 2.700 . 2.700 2.491 2.491 2.491 . 0 0 "[ ]" 1
313 1 57 VAL HA 1 57 VAL MG1 2.700 . 4.200 2.377 2.377 2.377 . 0 0 "[ ]" 1
314 1 57 VAL HA 1 57 VAL MG2 3.300 . 4.800 3.196 3.196 3.196 . 0 0 "[ ]" 1
315 1 55 VAL HB 1 57 VAL H 5.000 . 5.000 3.669 3.669 3.669 . 0 0 "[ ]" 1
316 1 55 VAL MG1 1 57 VAL H 3.300 . 4.800 1.843 1.843 1.843 . 0 0 "[ ]" 1
317 1 56 SER HA 1 57 VAL H 3.300 . 3.300 3.121 3.121 3.121 . 0 0 "[ ]" 1
318 1 56 SER QB 1 57 VAL H 3.300 . 4.300 3.627 3.627 3.627 . 0 0 "[ ]" 1
319 1 57 VAL H 1 57 VAL MG1 3.300 . 4.800 2.967 2.967 2.967 . 0 0 "[ ]" 1
320 1 57 VAL H 1 57 VAL MG2 2.700 . 4.200 2.252 2.252 2.252 . 0 0 "[ ]" 1
321 1 57 VAL HA 1 58 LYS H 2.700 . 2.700 2.610 2.610 2.610 . 0 0 "[ ]" 1
322 1 57 VAL HB 1 58 LYS H 2.700 . 2.700 2.152 2.152 2.152 . 0 0 "[ ]" 1
323 1 57 VAL MG1 1 58 LYS H 5.000 . 6.000 3.633 3.633 3.633 . 0 0 "[ ]" 1
324 1 57 VAL MG2 1 58 LYS H 5.000 . 6.000 3.162 3.162 3.162 . 0 0 "[ ]" 1
325 1 58 LYS H 1 58 LYS HB3 3.300 . 3.300 3.243 3.243 3.243 . 0 0 "[ ]" 1
326 1 58 LYS H 1 58 LYS HB2 3.300 . 3.300 2.849 2.849 2.849 . 0 0 "[ ]" 1
327 1 58 LYS H 1 61 ASP HB3 5.000 . 5.000 3.519 3.519 3.519 . 0 0 "[ ]" 1
328 1 58 LYS H 1 61 ASP HB2 3.300 . 3.300 2.500 2.500 2.500 . 0 0 "[ ]" 1
329 1 18 LEU QD 1 59 LEU H 5.000 . 8.400 4.077 4.077 4.077 . 0 0 "[ ]" 1
330 1 58 LYS HA 1 59 LEU H 3.300 . 3.300 2.554 2.554 2.554 . 0 0 "[ ]" 1
331 1 58 LYS QB 1 59 LEU H 3.300 . 4.300 2.729 2.729 2.729 . 0 0 "[ ]" 1
332 1 59 LEU H 1 59 LEU QB 2.700 . 3.300 2.689 2.689 2.689 . 0 0 "[ ]" 1
333 1 59 LEU H 1 59 LEU MD1 5.000 . 6.500 3.708 3.708 3.708 . 0 0 "[ ]" 1
334 1 59 LEU H 1 59 LEU MD2 5.000 . 6.500 2.285 2.285 2.285 . 0 0 "[ ]" 1
335 1 59 LEU H 1 59 LEU HG 3.300 . 3.300 2.046 2.046 2.046 . 0 0 "[ ]" 1
336 1 15 VAL HB 1 60 GLY H 3.300 . 3.300 2.240 2.240 2.240 . 0 0 "[ ]" 1
337 1 15 VAL MG1 1 60 GLY H 3.300 . 4.800 2.436 2.436 2.436 . 0 0 "[ ]" 1
338 1 15 VAL MG2 1 60 GLY H 5.000 . 6.500 3.909 3.909 3.909 . 0 0 "[ ]" 1
339 1 59 LEU HA 1 60 GLY H 2.700 . 2.700 2.203 2.203 2.203 . 0 0 "[ ]" 1
340 1 59 LEU QB 1 60 GLY H 3.300 . 4.300 3.209 3.209 3.209 . 0 0 "[ ]" 1
341 1 59 LEU QD 1 60 GLY H 5.000 . 8.400 3.997 3.997 3.997 . 0 0 "[ ]" 1
342 1 60 GLY H 1 61 ASP H 2.700 . 2.700 2.573 2.573 2.573 . 0 0 "[ ]" 1
343 1 15 VAL HB 1 61 ASP H 3.300 . 3.300 2.768 2.768 2.768 . 0 0 "[ ]" 1
344 1 15 VAL MG1 1 61 ASP H 5.000 . 6.500 3.795 3.795 3.795 . 0 0 "[ ]" 1
345 1 15 VAL MG2 1 61 ASP H 3.300 . 4.800 3.690 3.690 3.690 . 0 0 "[ ]" 1
346 1 59 LEU HA 1 61 ASP H 5.000 . 5.000 3.370 3.370 3.370 . 0 0 "[ ]" 1
347 1 59 LEU HG 1 61 ASP H 5.000 . 5.000 4.612 4.612 4.612 . 0 0 "[ ]" 1
348 1 60 GLY QA 1 61 ASP H 5.000 . 6.000 2.917 2.917 2.917 . 0 0 "[ ]" 1
349 1 61 ASP H 1 61 ASP HB2 2.700 . 2.700 2.199 2.199 2.199 . 0 0 "[ ]" 1
350 1 61 ASP HA 1 62 LYS H 2.700 . 2.700 2.370 2.370 2.370 . 0 0 "[ ]" 1
351 1 61 ASP HB3 1 62 LYS H 3.300 . 3.300 2.729 2.729 2.729 . 0 0 "[ ]" 1
352 1 61 ASP HB2 1 62 LYS H 5.000 . 5.000 4.034 4.034 4.034 . 0 0 "[ ]" 1
353 1 62 LYS H 1 62 LYS QB 3.300 . 3.900 2.610 2.610 2.610 . 0 0 "[ ]" 1
354 1 13 GLY H 1 63 LEU H 5.000 . 5.000 3.720 3.720 3.720 . 0 0 "[ ]" 1
355 1 14 GLU HA 1 63 LEU H 3.300 . 3.300 3.075 3.075 3.075 . 0 0 "[ ]" 1
356 1 62 LYS HA 1 63 LEU H 2.700 . 2.700 2.267 2.267 2.267 . 0 0 "[ ]" 1
357 1 63 LEU H 1 63 LEU QB 2.700 . 3.300 2.683 2.683 2.683 . 0 0 "[ ]" 1
358 1 12 ASP HA 1 64 LYS HA 3.300 . 3.300 2.996 2.996 2.996 . 0 0 "[ ]" 1
359 1 63 LEU HA 1 64 LYS H 2.700 . 2.700 2.255 2.255 2.255 . 0 0 "[ ]" 1
360 1 64 LYS H 1 64 LYS HB3 3.300 . 3.300 3.027 3.027 3.027 . 0 0 "[ ]" 1
361 1 64 LYS H 1 64 LYS HB2 3.300 . 3.300 2.388 2.388 2.388 . 0 0 "[ ]" 1
362 1 64 LYS H 1 64 LYS QB 2.900 . 2.900 2.304 2.304 2.304 . 0 0 "[ ]" 1
363 1 64 LYS H 1 67 ASP HB3 5.000 . 5.000 4.114 4.114 4.114 . 0 0 "[ ]" 1
364 1 64 LYS H 1 67 ASP HB2 3.300 . 3.300 3.131 3.131 3.131 . 0 0 "[ ]" 1
365 1 6 VAL HB 1 65 GLU HA 3.300 . 3.300 1.876 1.876 1.876 . 0 0 "[ ]" 1
366 1 6 VAL MG1 1 65 GLU HA 3.300 . 4.800 2.065 2.065 2.065 . 0 0 "[ ]" 1
367 1 12 ASP HA 1 65 GLU H 5.000 . 5.000 3.466 3.466 3.466 . 0 0 "[ ]" 1
368 1 6 VAL HB 1 65 GLU H 5.000 . 5.000 4.349 4.349 4.349 . 0 0 "[ ]" 1
369 1 64 LYS QB 1 65 GLU H 5.000 . 6.000 3.427 3.427 3.427 . 0 0 "[ ]" 1
370 1 65 GLU H 1 65 GLU HA 2.700 . 2.700 2.744 2.744 2.744 0.044 1 0 "[ ]" 1
371 1 65 GLU H 1 65 GLU QB 2.700 . 3.300 2.375 2.375 2.375 . 0 0 "[ ]" 1
372 1 65 GLU H 1 65 GLU QG 2.700 . 3.700 2.411 2.411 2.411 . 0 0 "[ ]" 1
373 1 9 ILE QG 1 65 GLU H 5.000 . 6.000 4.115 4.115 4.115 . 0 0 "[ ]" 1
374 1 5 ARG QG 1 66 GLY H 5.000 . 6.000 3.426 3.426 3.426 . 0 0 "[ ]" 1
375 1 6 VAL HB 1 66 GLY H 2.700 . 2.700 2.275 2.275 2.275 . 0 0 "[ ]" 1
376 1 6 VAL MG1 1 66 GLY H 5.000 . 6.500 3.389 3.389 3.389 . 0 0 "[ ]" 1
377 1 6 VAL H 1 66 GLY H 5.000 . 5.000 3.235 3.235 3.235 . 0 0 "[ ]" 1
378 1 65 GLU HA 1 66 GLY H 2.700 . 2.700 2.245 2.245 2.245 . 0 0 "[ ]" 1
379 1 65 GLU QG 1 66 GLY H 3.300 . 4.300 3.817 3.817 3.817 . 0 0 "[ ]" 1
380 1 66 GLY H 1 67 ASP H 3.300 . 3.300 2.542 2.542 2.542 . 0 0 "[ ]" 1
381 1 6 VAL HB 1 67 ASP H 3.300 . 3.300 3.068 3.068 3.068 . 0 0 "[ ]" 1
382 1 6 VAL MG2 1 67 ASP H 5.000 . 6.500 3.606 3.606 3.606 . 0 0 "[ ]" 1
383 1 65 GLU HA 1 67 ASP H 5.000 . 5.000 3.308 3.308 3.308 . 0 0 "[ ]" 1
384 1 66 GLY QA 1 67 ASP H 5.000 . 6.000 2.902 2.902 2.902 . 0 0 "[ ]" 1
385 1 67 ASP H 1 67 ASP HB2 2.700 . 2.700 2.293 2.293 2.293 . 0 0 "[ ]" 1
386 1 5 ARG QB 1 68 ALA H 3.300 . 4.300 3.595 3.595 3.595 . 0 0 "[ ]" 1
387 1 67 ASP HB3 1 68 ALA H 3.300 . 3.300 3.094 3.094 3.094 . 0 0 "[ ]" 1
388 1 67 ASP HB2 1 68 ALA H 5.000 . 5.000 4.208 4.208 4.208 . 0 0 "[ ]" 1
389 1 68 ALA H 1 68 ALA MB 2.700 . 3.800 2.213 2.213 2.213 . 0 0 "[ ]" 1
390 1 68 ALA H 1 69 ILE MD 5.000 . 6.500 5.013 5.013 5.013 . 0 0 "[ ]" 1
391 1 5 ARG HA 1 69 ILE H 3.300 . 3.300 2.256 2.256 2.256 . 0 0 "[ ]" 1
392 1 68 ALA HA 1 69 ILE H 2.700 . 2.700 2.317 2.317 2.317 . 0 0 "[ ]" 1
393 1 69 ILE H 1 69 ILE HB 3.300 . 3.300 2.621 2.621 2.621 . 0 0 "[ ]" 1
394 1 69 ILE H 1 70 ILE H 3.300 . 3.300 2.497 2.497 2.497 . 0 0 "[ ]" 1
395 1 55 VAL HA 1 70 ILE HA 3.300 . 3.300 2.847 2.847 2.847 . 0 0 "[ ]" 1
396 1 56 SER QB 1 70 ILE HA 5.000 . 6.000 3.256 3.256 3.256 . 0 0 "[ ]" 1
397 1 70 ILE HA 1 70 ILE HB 2.700 . 2.700 2.558 2.558 2.558 . 0 0 "[ ]" 1
398 1 4 ILE HB 1 70 ILE H 3.300 . 3.300 3.246 3.246 3.246 . 0 0 "[ ]" 1
399 1 5 ARG HA 1 70 ILE H 5.000 . 5.000 4.258 4.258 4.258 . 0 0 "[ ]" 1
400 1 68 ALA HA 1 70 ILE H 5.000 . 5.000 4.771 4.771 4.771 . 0 0 "[ ]" 1
401 1 69 ILE HA 1 70 ILE H 5.000 . 5.000 3.585 3.585 3.585 . 0 0 "[ ]" 1
402 1 69 ILE HB 1 70 ILE H 2.700 . 2.700 2.028 2.028 2.028 . 0 0 "[ ]" 1
403 1 69 ILE MD 1 70 ILE H 5.000 . 6.500 4.458 4.458 4.458 . 0 0 "[ ]" 1
404 1 3 ILE HA 1 71 GLU HA 2.700 . 2.700 2.544 2.544 2.544 . 0 0 "[ ]" 1
405 1 54 SER H 1 71 GLU H 3.300 . 3.300 3.097 3.097 3.097 . 0 0 "[ ]" 1
406 1 70 ILE HA 1 71 GLU H 2.700 . 2.700 2.576 2.576 2.576 . 0 0 "[ ]" 1
407 1 70 ILE HB 1 71 GLU H 2.700 . 2.700 2.183 2.183 2.183 . 0 0 "[ ]" 1
408 1 71 GLU H 1 71 GLU QB 3.300 . 3.900 2.482 2.482 2.482 . 0 0 "[ ]" 1
409 1 52 VAL HA 1 72 LEU HA 3.300 . 3.300 2.488 2.488 2.488 . 0 0 "[ ]" 1
410 1 72 LEU HA 1 72 LEU HB2 2.700 . 2.700 2.392 2.392 2.392 . 0 0 "[ ]" 1
411 1 72 LEU HA 1 72 LEU QD 3.300 . 6.000 3.127 3.127 3.127 . 0 0 "[ ]" 1
412 1 1 SER QB 1 72 LEU H 5.000 . 6.000 4.468 4.468 4.468 . 0 0 "[ ]" 1
413 1 2 GLU H 1 72 LEU H 5.000 . 5.000 4.301 4.301 4.301 . 0 0 "[ ]" 1
414 1 3 ILE HA 1 72 LEU H 5.000 . 5.000 3.875 3.875 3.875 . 0 0 "[ ]" 1
415 1 71 GLU HA 1 72 LEU H 2.700 . 2.700 2.224 2.224 2.224 . 0 0 "[ ]" 1
416 1 71 GLU QB 1 72 LEU H 5.000 . 6.000 3.739 3.739 3.739 . 0 0 "[ ]" 1
417 1 72 LEU H 1 72 LEU HB3 3.300 . 3.300 2.358 2.358 2.358 . 0 0 "[ ]" 1
418 1 72 LEU H 1 72 LEU HB2 3.300 . 3.300 2.952 2.952 2.952 . 0 0 "[ ]" 1
419 1 1 SER HA 1 73 GLU HA 3.300 . 3.300 3.060 3.060 3.060 . 0 0 "[ ]" 1
420 1 1 SER HB3 1 73 GLU HA 2.700 . 2.700 2.525 2.525 2.525 . 0 0 "[ ]" 1
421 1 1 SER HB2 1 73 GLU HA 2.700 . 2.700 2.572 2.572 2.572 . 0 0 "[ ]" 1
422 1 1 SER QB 1 73 GLU H 5.000 . 6.000 4.384 4.384 4.384 . 0 0 "[ ]" 1
423 1 51 VAL H 1 73 GLU H 3.300 . 3.300 2.718 2.718 2.718 . 0 0 "[ ]" 1
424 1 52 VAL HA 1 73 GLU H 5.000 . 5.000 3.715 3.715 3.715 . 0 0 "[ ]" 1
425 1 53 LYS QB 1 73 GLU H 5.000 . 6.000 3.479 3.479 3.479 . 0 0 "[ ]" 1
426 1 72 LEU HA 1 73 GLU H 2.700 . 2.700 2.267 2.267 2.267 . 0 0 "[ ]" 1
427 1 72 LEU HB3 1 73 GLU H 5.000 . 5.000 4.107 4.107 4.107 . 0 0 "[ ]" 1
428 1 72 LEU HB2 1 73 GLU H 5.000 . 5.000 3.979 3.979 3.979 . 0 0 "[ ]" 1
429 1 72 LEU QD 1 73 GLU H 3.300 . 6.700 2.937 2.937 2.937 . 0 0 "[ ]" 1
430 1 73 GLU H 1 73 GLU HB3 3.300 . 3.300 2.764 2.764 2.764 . 0 0 "[ ]" 1
431 1 73 GLU H 1 73 GLU HB2 3.300 . 3.300 2.786 2.786 2.786 . 0 0 "[ ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 22
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 4 ILE 0.000 0.000 . 0 "[ ]"
1 6 VAL 0.000 0.000 . 0 "[ ]"
1 13 GLY 0.000 0.000 . 0 "[ ]"
1 14 GLU 0.000 0.000 . 0 "[ ]"
1 15 VAL 0.000 0.000 . 0 "[ ]"
1 16 ILE 0.000 0.000 . 0 "[ ]"
1 30 GLN 0.000 0.000 . 0 "[ ]"
1 33 VAL 0.000 0.000 . 0 "[ ]"
1 34 VAL 0.000 0.000 . 0 "[ ]"
1 36 GLU 0.000 0.000 . 0 "[ ]"
1 44 VAL 0.000 0.000 . 0 "[ ]"
1 46 SER 0.000 0.000 . 0 "[ ]"
1 51 VAL 0.000 0.000 . 0 "[ ]"
1 53 LYS 0.000 0.000 . 0 "[ ]"
1 61 ASP 0.000 0.000 . 0 "[ ]"
1 63 LEU 0.000 0.000 . 0 "[ ]"
1 67 ASP 0.000 0.000 . 0 "[ ]"
1 70 ILE 0.000 0.000 . 0 "[ ]"
1 71 GLU 0.000 0.000 . 0 "[ ]"
1 73 GLU 0.000 0.000 . 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 ILE N 1 70 ILE O 2.900 . 3.300 3.141 3.141 3.141 . 0 0 "[ ]" 2
2 1 4 ILE H 1 70 ILE O 1.900 . 2.300 2.161 2.161 2.161 . 0 0 "[ ]" 2
3 1 13 GLY O 1 63 LEU N 2.900 . 3.300 3.105 3.105 3.105 . 0 0 "[ ]" 2
4 1 13 GLY O 1 63 LEU H 1.900 . 2.300 2.175 2.175 2.175 . 0 0 "[ ]" 2
5 1 16 ILE N 1 34 VAL O 2.900 . 3.300 2.911 2.911 2.911 . 0 0 "[ ]" 2
6 1 16 ILE H 1 34 VAL O 1.900 . 2.300 2.128 2.128 2.128 . 0 0 "[ ]" 2
7 1 30 GLN O 1 46 SER N 2.900 . 3.300 3.081 3.081 3.081 . 0 0 "[ ]" 2
8 1 30 GLN O 1 46 SER H 1.900 . 2.300 2.212 2.212 2.212 . 0 0 "[ ]" 2
9 1 53 LYS N 1 71 GLU O 2.900 . 3.300 2.947 2.947 2.947 . 0 0 "[ ]" 2
10 1 53 LYS H 1 71 GLU O 1.900 . 2.300 2.116 2.116 2.116 . 0 0 "[ ]" 2
11 1 6 VAL N 1 67 ASP O 2.900 . 3.300 3.007 3.007 3.007 . 0 0 "[ ]" 2
12 1 6 VAL H 1 67 ASP O 1.900 . 2.300 2.103 2.103 2.103 . 0 0 "[ ]" 2
13 1 14 GLU O 1 36 GLU N 2.900 . 3.300 3.068 3.068 3.068 . 0 0 "[ ]" 2
14 1 14 GLU O 1 36 GLU H 1.900 . 2.300 2.149 2.149 2.149 . 0 0 "[ ]" 2
15 1 15 VAL N 1 61 ASP O 2.900 . 3.300 3.055 3.055 3.055 . 0 0 "[ ]" 2
16 1 15 VAL H 1 61 ASP O 1.900 . 2.300 2.125 2.125 2.125 . 0 0 "[ ]" 2
17 1 33 VAL O 1 44 VAL N 2.900 . 3.300 3.094 3.094 3.094 . 0 0 "[ ]" 2
18 1 33 VAL O 1 44 VAL H 1.900 . 2.300 2.133 2.133 2.133 . 0 0 "[ ]" 2
19 1 51 VAL O 1 73 GLU N 2.900 . 3.300 3.136 3.136 3.136 . 0 0 "[ ]" 2
20 1 51 VAL O 1 73 GLU H 1.900 . 2.300 2.210 2.210 2.210 . 0 0 "[ ]" 2
21 1 33 VAL N 1 44 VAL O 2.900 . 3.300 2.955 2.955 2.955 . 0 0 "[ ]" 2
22 1 33 VAL H 1 44 VAL O 1.900 . 2.300 2.099 2.099 2.099 . 0 0 "[ ]" 2
stop_
save_
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