NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
593156 |
2n1e   |
25558 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n1e
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 72
_Distance_constraint_stats_list.Viol_count 1099
_Distance_constraint_stats_list.Viol_total 7594.871
_Distance_constraint_stats_list.Viol_max 3.194
_Distance_constraint_stats_list.Viol_rms 0.4629
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2637
_Distance_constraint_stats_list.Viol_average_violations_only 0.3455
_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 VAL 2.927 0.308 9 0 "[ . 1 . 2]"
1 2 LYS 1.256 0.202 5 0 "[ . 1 . 2]"
1 3 VAL 4.006 0.358 3 0 "[ . 1 . 2]"
1 4 LYS 2.345 0.278 6 0 "[ . 1 . 2]"
1 5 VAL 1.098 0.147 4 0 "[ . 1 . 2]"
1 6 LYS 1.924 0.287 6 0 "[ . 1 . 2]"
1 7 VAL 1.225 0.404 16 0 "[ . 1 . 2]"
1 8 LYS 1.128 0.213 12 0 "[ . 1 . 2]"
1 9 VAL 0.037 0.037 4 0 "[ . 1 . 2]"
1 11 PRO 1.151 0.240 5 0 "[ . 1 . 2]"
1 12 THR 2.042 0.253 9 0 "[ . 1 . 2]"
1 13 LYS 0.267 0.066 6 0 "[ . 1 . 2]"
1 14 VAL 26.712 3.017 17 16 "[* * ** *-******+***]"
1 16 VAL 1.098 0.147 4 0 "[ . 1 . 2]"
1 18 VAL 4.006 0.358 3 0 "[ . 1 . 2]"
1 20 VAL 2.927 0.308 9 0 "[ . 1 . 2]"
2 1 VAL 19.628 1.484 12 18 "[*-**. *****+********]"
2 2 LYS 1.689 0.231 15 0 "[ . 1 . 2]"
2 3 VAL 3.353 0.426 11 0 "[ . 1 . 2]"
2 4 LYS 3.357 0.369 2 0 "[ . 1 . 2]"
2 5 VAL 41.440 2.607 15 20 [*****-********+*****]
2 6 LYS 3.357 0.381 2 0 "[ . 1 . 2]"
2 7 VAL 1.332 0.217 20 0 "[ . 1 . 2]"
2 8 LYS 2.169 0.290 1 0 "[ . 1 . 2]"
2 12 THR 32.402 2.814 15 18 "[ *************+***-2]"
2 13 LYS 1.091 0.213 12 0 "[ . 1 . 2]"
2 14 VAL 8.494 1.018 17 8 "[ *. ** .*+*-*]"
2 15 LYS 1.924 0.287 6 0 "[ . 1 . 2]"
2 16 VAL 3.951 0.325 11 0 "[ . 1 . 2]"
2 17 LYS 2.345 0.278 6 0 "[ . 1 . 2]"
2 18 VAL 3.353 0.426 11 0 "[ . 1 . 2]"
2 19 LYS 1.256 0.202 5 0 "[ . 1 . 2]"
2 20 VAL 41.313 1.882 7 19 [*-**.*+*************]
3 1 VAL 0.615 0.223 12 0 "[ . 1 . 2]"
3 2 LYS 3.456 0.330 13 0 "[ . 1 . 2]"
3 3 VAL 2.731 0.347 4 0 "[ . 1 . 2]"
3 4 LYS 2.565 0.239 6 0 "[ . 1 . 2]"
3 5 VAL 21.831 1.716 17 16 "[** *.* ***- ****+***]"
3 6 LYS 2.925 0.298 11 0 "[ . 1 . 2]"
3 7 VAL 1.509 0.375 15 0 "[ . 1 . 2]"
3 8 LYS 1.936 0.265 6 0 "[ . 1 . 2]"
3 12 THR 3.756 1.270 19 2 "[ . 1- . +2]"
3 13 LYS 2.169 0.290 1 0 "[ . 1 . 2]"
3 14 VAL 2.327 0.439 15 0 "[ . 1 . 2]"
3 15 LYS 3.357 0.381 2 0 "[ . 1 . 2]"
3 16 VAL 2.178 0.272 11 0 "[ . 1 . 2]"
3 17 LYS 3.357 0.369 2 0 "[ . 1 . 2]"
3 18 VAL 2.731 0.347 4 0 "[ . 1 . 2]"
3 19 LYS 1.689 0.231 15 0 "[ . 1 . 2]"
3 20 VAL 37.269 3.194 19 20 [**-***************+*]
4 1 VAL 3.343 0.306 9 0 "[ . 1 . 2]"
4 3 VAL 2.221 0.263 6 0 "[ . 1 . 2]"
4 5 VAL 5.534 0.657 19 2 "[ . 1 .- +2]"
4 7 VAL 1.731 0.344 17 0 "[ . 1 . 2]"
4 13 LYS 1.936 0.265 6 0 "[ . 1 . 2]"
4 14 VAL 8.201 1.187 19 6 "[ . *1* -. *+*]"
4 15 LYS 2.925 0.298 11 0 "[ . 1 . 2]"
4 16 VAL 3.366 0.358 4 0 "[ . 1 . 2]"
4 17 LYS 2.565 0.239 6 0 "[ . 1 . 2]"
4 18 VAL 2.221 0.263 6 0 "[ . 1 . 2]"
4 19 LYS 3.456 0.330 13 0 "[ . 1 . 2]"
4 20 VAL 3.343 0.306 9 0 "[ . 1 . 2]"
5 1 VAL 8.225 1.100 7 7 "[ . +* 1 ****- 2]"
5 2 LYS 2.563 0.293 6 0 "[ . 1 . 2]"
5 3 VAL 2.934 0.353 18 0 "[ . 1 . 2]"
5 4 LYS 3.289 0.338 3 0 "[ . 1 . 2]"
5 5 VAL 3.395 0.359 9 0 "[ . 1 . 2]"
5 6 LYS 3.190 0.337 15 0 "[ . 1 . 2]"
5 7 VAL 1.313 0.197 12 0 "[ . 1 . 2]"
5 8 LYS 2.448 0.366 13 0 "[ . 1 . 2]"
5 12 THR 0.000 0.000 . 0 "[ . 1 . 2]"
5 14 VAL 1.313 0.197 12 0 "[ . 1 . 2]"
5 16 VAL 28.882 3.017 17 16 "[* * ** *-******+***]"
5 18 VAL 2.934 0.353 18 0 "[ . 1 . 2]"
5 20 VAL 8.848 1.100 7 7 "[ . +* 1 ****- 2]"
6 1 VAL 1.388 0.287 17 0 "[ . 1 . 2]"
6 2 LYS 2.360 0.299 19 0 "[ . 1 . 2]"
6 3 VAL 3.017 0.358 8 0 "[ . 1 . 2]"
6 4 LYS 2.817 0.316 6 0 "[ . 1 . 2]"
6 5 VAL 3.156 0.374 2 0 "[ . 1 . 2]"
6 6 LYS 2.914 0.338 12 0 "[ . 1 . 2]"
6 7 VAL 39.906 2.607 15 20 [*****-********+*****]
6 8 LYS 1.701 0.408 19 0 "[ . 1 . 2]"
6 12 THR 21.685 1.882 7 16 "[* **.*+**1**- ******]"
6 13 LYS 2.448 0.366 13 0 "[ . 1 . 2]"
6 14 VAL 2.418 0.288 4 0 "[ . 1 . 2]"
6 15 LYS 3.190 0.337 15 0 "[ . 1 . 2]"
6 16 VAL 10.317 1.018 17 8 "[ *. ** .*+*-*]"
6 17 LYS 3.289 0.338 3 0 "[ . 1 . 2]"
6 18 VAL 3.017 0.358 8 0 "[ . 1 . 2]"
6 19 LYS 2.563 0.293 6 0 "[ . 1 . 2]"
6 20 VAL 33.790 2.814 15 18 "[ *************+***-2]"
7 1 VAL 5.492 0.881 5 1 "[ + 1 . 2]"
7 2 LYS 3.868 0.974 2 3 "[ +* . -1 . 2]"
7 3 VAL 3.727 0.466 6 0 "[ . 1 . 2]"
7 4 LYS 3.333 0.337 1 0 "[ . 1 . 2]"
7 5 VAL 3.169 0.296 6 0 "[ . 1 . 2]"
7 6 LYS 2.239 0.342 11 0 "[ . 1 . 2]"
7 7 VAL 20.665 1.716 17 16 "[** *.* ***- ****+***]"
7 8 LYS 2.795 0.593 18 1 "[ . 1 . + 2]"
7 12 THR 36.653 3.194 19 20 [**-***************+*]
7 13 LYS 1.701 0.408 19 0 "[ . 1 . 2]"
7 14 VAL 1.012 0.216 9 0 "[ . 1 . 2]"
7 15 LYS 2.914 0.338 12 0 "[ . 1 . 2]"
7 16 VAL 3.987 0.439 15 0 "[ . 1 . 2]"
7 17 LYS 2.817 0.316 6 0 "[ . 1 . 2]"
7 18 VAL 3.727 0.466 6 0 "[ . 1 . 2]"
7 19 LYS 2.360 0.299 19 0 "[ . 1 . 2]"
7 20 VAL 9.248 1.270 19 3 "[ * 1- . +2]"
8 1 VAL 19.674 1.494 13 19 "[*** ********+****-**]"
8 3 VAL 2.269 0.269 10 0 "[ . 1 . 2]"
8 5 VAL 4.158 0.413 19 0 "[ . 1 . 2]"
8 7 VAL 3.944 0.657 19 2 "[ . 1 .- +2]"
8 13 LYS 2.795 0.593 18 1 "[ . 1 . + 2]"
8 14 VAL 1.776 0.319 8 0 "[ . 1 . 2]"
8 15 LYS 2.239 0.342 11 0 "[ . 1 . 2]"
8 16 VAL 10.628 1.187 19 6 "[ . *1* -. *+*]"
8 17 LYS 3.333 0.337 1 0 "[ . 1 . 2]"
8 18 VAL 2.269 0.269 10 0 "[ . 1 . 2]"
8 19 LYS 3.868 0.974 2 3 "[ +* . -1 . 2]"
8 20 VAL 19.674 1.494 13 19 "[*** ********+****-**]"
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 VAL C 1 20 VAL N 4.300 4.200 4.400 4.064 3.892 4.332 0.308 9 0 "[ . 1 . 2]" 1
2 1 2 LYS C 2 19 LYS N 4.300 4.200 4.400 4.170 3.998 4.339 0.202 5 0 "[ . 1 . 2]" 1
3 1 3 VAL C 1 18 VAL N 4.300 4.200 4.400 4.001 3.842 4.228 0.358 3 0 "[ . 1 . 2]" 1
4 1 4 LYS C 2 17 LYS N 4.300 4.200 4.400 4.105 3.922 4.337 0.278 6 0 "[ . 1 . 2]" 1
5 1 5 VAL C 1 16 VAL N 4.300 4.200 4.400 4.185 4.053 4.415 0.147 4 0 "[ . 1 . 2]" 1
6 1 6 LYS C 2 15 LYS N 4.300 4.200 4.400 4.121 3.913 4.318 0.287 6 0 "[ . 1 . 2]" 1
7 1 7 VAL C 1 14 VAL N 4.300 4.200 4.400 4.177 3.796 4.400 0.404 16 0 "[ . 1 . 2]" 1
8 1 8 LYS C 2 13 LYS N 4.300 4.200 4.400 4.271 3.987 4.546 0.213 12 0 "[ . 1 . 2]" 1
9 1 8 LYS N 1 9 VAL N 3.340 3.100 3.580 3.402 3.155 3.617 0.037 4 0 "[ . 1 . 2]" 1
10 1 11 PRO N 1 12 THR N 2.670 2.600 2.740 2.772 2.612 2.980 0.240 5 0 "[ . 1 . 2]" 1
11 1 12 THR CG2 5 20 VAL CG1 4.500 3.000 6.000 5.603 4.504 6.253 0.253 9 0 "[ . 1 . 2]" 1
12 1 12 THR N 1 13 LYS N 3.410 3.130 3.690 3.644 3.537 3.756 0.066 6 0 "[ . 1 . 2]" 1
13 1 14 VAL CG1 5 16 VAL CG1 3.000 . 4.500 5.763 4.267 7.517 3.017 17 16 "[* * ** *-******+***]" 1
14 1 20 VAL CG1 5 12 THR CG2 4.500 3.000 6.000 4.146 3.366 4.981 . 0 0 "[ . 1 . 2]" 1
15 2 1 VAL C 2 20 VAL N 4.300 4.200 4.400 5.381 4.429 5.884 1.484 12 18 "[*-**. *****+********]" 1
16 2 2 LYS C 3 19 LYS N 4.300 4.200 4.400 4.158 3.969 4.494 0.231 15 0 "[ . 1 . 2]" 1
17 2 3 VAL C 2 18 VAL N 4.300 4.200 4.400 4.035 3.774 4.236 0.426 11 0 "[ . 1 . 2]" 1
18 2 4 LYS C 3 17 LYS N 4.300 4.200 4.400 4.032 3.831 4.189 0.369 2 0 "[ . 1 . 2]" 1
19 2 5 VAL C 2 16 VAL N 4.300 4.200 4.400 4.009 3.875 4.337 0.325 11 0 "[ . 1 . 2]" 1
20 2 5 VAL CG1 6 7 VAL CG1 3.000 . 4.500 6.374 5.380 7.107 2.607 15 20 [*****-********+*****] 1
21 2 6 LYS C 3 15 LYS N 4.300 4.200 4.400 4.036 3.819 4.266 0.381 2 0 "[ . 1 . 2]" 1
22 2 7 VAL C 2 14 VAL N 4.300 4.200 4.400 4.162 3.983 4.351 0.217 20 0 "[ . 1 . 2]" 1
23 2 8 LYS C 3 13 LYS N 4.300 4.200 4.400 4.135 3.910 4.521 0.290 1 0 "[ . 1 . 2]" 1
24 2 12 THR CG2 6 20 VAL CG1 4.500 3.000 6.000 7.620 6.115 8.814 2.814 15 18 "[ *************+***-2]" 1
25 2 14 VAL CG1 6 16 VAL CG1 3.000 . 4.500 4.814 4.049 5.518 1.018 17 8 "[ *. ** .*+*-*]" 1
26 2 20 VAL CG1 6 12 THR CG2 4.500 3.000 6.000 7.084 6.232 7.882 1.882 7 16 "[* **.*+**1**- ******]" 1
27 3 1 VAL C 3 20 VAL N 4.300 4.200 4.400 4.332 4.165 4.623 0.223 12 0 "[ . 1 . 2]" 1
28 3 2 LYS C 4 19 LYS N 4.300 4.200 4.400 4.032 3.870 4.279 0.330 13 0 "[ . 1 . 2]" 1
29 3 3 VAL C 3 18 VAL N 4.300 4.200 4.400 4.074 3.853 4.301 0.347 4 0 "[ . 1 . 2]" 1
30 3 4 LYS C 4 17 LYS N 4.300 4.200 4.400 4.079 3.961 4.337 0.239 6 0 "[ . 1 . 2]" 1
31 3 5 VAL C 3 16 VAL N 4.300 4.200 4.400 4.105 3.928 4.322 0.272 11 0 "[ . 1 . 2]" 1
32 3 5 VAL CG1 7 7 VAL CG1 3.000 . 4.500 5.483 4.818 6.216 1.716 17 16 "[** *.* ***- ****+***]" 1
33 3 6 LYS C 4 15 LYS N 4.300 4.200 4.400 4.054 3.902 4.202 0.298 11 0 "[ . 1 . 2]" 1
34 3 7 VAL C 3 14 VAL N 4.300 4.200 4.400 4.151 3.825 4.477 0.375 15 0 "[ . 1 . 2]" 1
35 3 8 LYS C 4 13 LYS N 4.300 4.200 4.400 4.112 3.935 4.270 0.265 6 0 "[ . 1 . 2]" 1
36 3 12 THR CG2 7 20 VAL CG1 4.500 3.000 6.000 5.917 4.872 7.270 1.270 19 2 "[ . 1- . +2]" 1
37 3 14 VAL CG1 7 16 VAL CG1 3.000 . 4.500 4.191 3.674 4.939 0.439 15 0 "[ . 1 . 2]" 1
38 3 20 VAL CG1 7 12 THR CG2 4.500 3.000 6.000 7.833 6.685 9.194 3.194 19 20 [**-***************+*] 1
39 4 1 VAL C 4 20 VAL N 4.300 4.200 4.400 4.046 3.894 4.342 0.306 9 0 "[ . 1 . 2]" 1
40 4 3 VAL C 4 18 VAL N 4.300 4.200 4.400 4.112 3.937 4.339 0.263 6 0 "[ . 1 . 2]" 1
41 4 5 VAL C 4 16 VAL N 4.300 4.200 4.400 4.032 3.842 4.179 0.358 4 0 "[ . 1 . 2]" 1
42 4 5 VAL CG1 8 7 VAL CG1 3.000 . 4.500 4.375 3.669 5.157 0.657 19 2 "[ . 1 .- +2]" 1
43 4 7 VAL C 4 14 VAL N 4.300 4.200 4.400 4.158 3.856 4.410 0.344 17 0 "[ . 1 . 2]" 1
44 4 14 VAL CG1 8 16 VAL CG1 3.000 . 4.500 4.693 3.850 5.687 1.187 19 6 "[ . *1* -. *+*]" 1
45 5 1 VAL C 5 20 VAL N 4.300 4.200 4.400 4.660 3.903 5.500 1.100 7 7 "[ . +* 1 ****- 2]" 1
46 5 2 LYS C 6 19 LYS N 4.300 4.200 4.400 4.076 3.907 4.261 0.293 6 0 "[ . 1 . 2]" 1
47 5 3 VAL C 5 18 VAL N 4.300 4.200 4.400 4.056 3.847 4.239 0.353 18 0 "[ . 1 . 2]" 1
48 5 4 LYS C 6 17 LYS N 4.300 4.200 4.400 4.045 3.862 4.365 0.338 3 0 "[ . 1 . 2]" 1
49 5 5 VAL C 5 16 VAL N 4.300 4.200 4.400 4.039 3.841 4.366 0.359 9 0 "[ . 1 . 2]" 1
50 5 6 LYS C 6 15 LYS N 4.300 4.200 4.400 4.052 3.863 4.391 0.337 15 0 "[ . 1 . 2]" 1
51 5 7 VAL C 5 14 VAL N 4.300 4.200 4.400 4.163 4.003 4.409 0.197 12 0 "[ . 1 . 2]" 1
52 5 8 LYS C 6 13 LYS N 4.300 4.200 4.400 4.093 3.834 4.350 0.366 13 0 "[ . 1 . 2]" 1
53 6 1 VAL C 6 20 VAL N 4.300 4.200 4.400 4.270 3.930 4.687 0.287 17 0 "[ . 1 . 2]" 1
54 6 2 LYS C 7 19 LYS N 4.300 4.200 4.400 4.112 3.901 4.495 0.299 19 0 "[ . 1 . 2]" 1
55 6 3 VAL C 6 18 VAL N 4.300 4.200 4.400 4.073 3.842 4.506 0.358 8 0 "[ . 1 . 2]" 1
56 6 4 LYS C 7 17 LYS N 4.300 4.200 4.400 4.061 3.884 4.228 0.316 6 0 "[ . 1 . 2]" 1
57 6 5 VAL C 6 16 VAL N 4.300 4.200 4.400 4.049 3.826 4.286 0.374 2 0 "[ . 1 . 2]" 1
58 6 6 LYS C 7 15 LYS N 4.300 4.200 4.400 4.068 3.862 4.330 0.338 12 0 "[ . 1 . 2]" 1
59 6 7 VAL C 6 14 VAL N 4.300 4.200 4.400 4.091 3.912 4.379 0.288 4 0 "[ . 1 . 2]" 1
60 6 8 LYS C 7 13 LYS N 4.300 4.200 4.400 4.425 4.084 4.808 0.408 19 0 "[ . 1 . 2]" 1
61 7 1 VAL C 7 20 VAL N 4.300 4.200 4.400 4.668 4.264 5.281 0.881 5 1 "[ + 1 . 2]" 1
62 7 2 LYS C 8 19 LYS N 4.300 4.200 4.400 4.392 3.991 5.374 0.974 2 3 "[ +* . -1 . 2]" 1
63 7 3 VAL C 7 18 VAL N 4.300 4.200 4.400 4.023 3.734 4.374 0.466 6 0 "[ . 1 . 2]" 1
64 7 4 LYS C 8 17 LYS N 4.300 4.200 4.400 4.036 3.863 4.257 0.337 1 0 "[ . 1 . 2]" 1
65 7 5 VAL C 7 16 VAL N 4.300 4.200 4.400 4.042 3.904 4.178 0.296 6 0 "[ . 1 . 2]" 1
66 7 6 LYS C 8 15 LYS N 4.300 4.200 4.400 4.152 3.858 4.570 0.342 11 0 "[ . 1 . 2]" 1
67 7 7 VAL C 7 14 VAL N 4.300 4.200 4.400 4.250 3.984 4.531 0.216 9 0 "[ . 1 . 2]" 1
68 7 8 LYS C 8 13 LYS N 4.300 4.200 4.400 4.519 4.268 4.993 0.593 18 1 "[ . 1 . + 2]" 1
69 8 1 VAL C 8 20 VAL N 4.300 4.200 4.400 5.384 4.886 5.894 1.494 13 19 "[*** ********+****-**]" 1
70 8 3 VAL C 8 18 VAL N 4.300 4.200 4.400 4.105 3.931 4.415 0.269 10 0 "[ . 1 . 2]" 1
71 8 5 VAL C 8 16 VAL N 4.300 4.200 4.400 4.010 3.787 4.477 0.413 19 0 "[ . 1 . 2]" 1
72 8 7 VAL C 8 14 VAL N 4.300 4.200 4.400 4.129 3.881 4.316 0.319 8 0 "[ . 1 . 2]" 1
stop_
save_
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