NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
549844 |
2lji   |
17939 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lji
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 437
_Distance_constraint_stats_list.Viol_count 464
_Distance_constraint_stats_list.Viol_total 230.776
_Distance_constraint_stats_list.Viol_max 0.243
_Distance_constraint_stats_list.Viol_rms 0.0084
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0013
_Distance_constraint_stats_list.Viol_average_violations_only 0.0249
_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 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 ASN 0.694 0.056 1 0 "[ . 1 . 2]"
1 3 VAL 0.026 0.014 15 0 "[ . 1 . 2]"
1 4 THR 0.657 0.060 19 0 "[ . 1 . 2]"
1 5 VAL 0.262 0.029 9 0 "[ . 1 . 2]"
1 6 GLU 0.051 0.016 5 0 "[ . 1 . 2]"
1 7 VAL 0.070 0.033 18 0 "[ . 1 . 2]"
1 8 VAL 0.449 0.034 8 0 "[ . 1 . 2]"
1 9 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 THR 0.168 0.033 18 0 "[ . 1 . 2]"
1 13 SER 0.093 0.039 20 0 "[ . 1 . 2]"
1 14 GLU 0.039 0.039 20 0 "[ . 1 . 2]"
1 15 VAL 0.260 0.053 19 0 "[ . 1 . 2]"
1 16 ALA 1.409 0.056 1 0 "[ . 1 . 2]"
1 17 VAL 0.729 0.083 16 0 "[ . 1 . 2]"
1 18 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 GLY 0.667 0.083 16 0 "[ . 1 . 2]"
1 22 THR 0.113 0.037 4 0 "[ . 1 . 2]"
1 23 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ALA 0.026 0.021 10 0 "[ . 1 . 2]"
1 25 ASP 0.063 0.048 7 0 "[ . 1 . 2]"
1 26 LEU 0.396 0.049 15 0 "[ . 1 . 2]"
1 27 VAL 0.444 0.049 15 0 "[ . 1 . 2]"
1 28 ARG 0.206 0.028 2 0 "[ . 1 . 2]"
1 29 ALA 0.015 0.007 5 0 "[ . 1 . 2]"
1 30 VAL 0.106 0.044 11 0 "[ . 1 . 2]"
1 31 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 LEU 0.312 0.044 11 0 "[ . 1 . 2]"
1 33 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 HIS 0.016 0.006 11 0 "[ . 1 . 2]"
1 36 GLU 0.056 0.024 6 0 "[ . 1 . 2]"
1 37 VAL 0.826 0.053 11 0 "[ . 1 . 2]"
1 38 THR 0.041 0.020 6 0 "[ . 1 . 2]"
1 39 VAL 0.338 0.030 13 0 "[ . 1 . 2]"
1 40 LEU 1.540 0.084 2 0 "[ . 1 . 2]"
1 41 VAL 1.315 0.091 9 0 "[ . 1 . 2]"
1 42 ASP 3.381 0.243 4 0 "[ . 1 . 2]"
1 43 GLY 3.046 0.243 4 0 "[ . 1 . 2]"
1 44 ARG 0.772 0.095 8 0 "[ . 1 . 2]"
1 47 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 GLU 0.081 0.045 18 0 "[ . 1 . 2]"
1 49 ASP 0.081 0.045 18 0 "[ . 1 . 2]"
1 50 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 VAL 0.251 0.037 9 0 "[ . 1 . 2]"
1 53 GLU 0.424 0.044 18 0 "[ . 1 . 2]"
1 54 VAL 0.240 0.037 4 0 "[ . 1 . 2]"
1 55 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ARG 0.929 0.060 19 0 "[ . 1 . 2]"
1 57 VAL 0.141 0.029 9 0 "[ . 1 . 2]"
1 58 LYS 0.523 0.034 8 0 "[ . 1 . 2]"
1 59 VAL 0.287 0.031 12 0 "[ . 1 . 2]"
1 60 LEU 0.642 0.044 14 0 "[ . 1 . 2]"
1 61 ARG 0.090 0.026 12 0 "[ . 1 . 2]"
1 62 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ILE 0.224 0.044 14 0 "[ . 1 . 2]"
1 64 LYS 0.152 0.036 2 0 "[ . 1 . 2]"
1 65 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 GLY 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 1 MET HA 1 2 ASN H 1.800 . 6.000 2.847 2.141 3.593 . 0 0 "[ . 1 . 2]" 1
2 1 1 MET QB 1 2 ASN H 1.800 . 6.000 2.864 2.044 3.985 . 0 0 "[ . 1 . 2]" 1
3 1 2 ASN H 1 16 ALA H 1.800 . 6.500 6.523 6.441 6.556 0.056 1 0 "[ . 1 . 2]" 1
4 1 2 ASN H 1 16 ALA HA 1.800 . 5.000 4.576 4.293 4.756 . 0 0 "[ . 1 . 2]" 1
5 1 2 ASN H 1 17 VAL H 1.800 . 6.000 5.753 5.242 6.012 0.012 17 0 "[ . 1 . 2]" 1
6 1 2 ASN HA 1 3 VAL H 1.800 . 3.000 2.226 2.160 2.278 . 0 0 "[ . 1 . 2]" 1
7 1 2 ASN HA 1 3 VAL QG 1.800 . 5.000 3.420 3.253 3.843 . 0 0 "[ . 1 . 2]" 1
8 1 2 ASN HA 1 15 VAL H 1.800 . 4.500 4.208 3.957 4.527 0.027 13 0 "[ . 1 . 2]" 1
9 1 2 ASN HA 1 16 ALA H 1.800 . 4.500 4.059 3.793 4.287 . 0 0 "[ . 1 . 2]" 1
10 1 2 ASN HA 1 16 ALA MB 1.800 . 4.500 3.299 2.883 3.559 . 0 0 "[ . 1 . 2]" 1
11 1 2 ASN HA 1 17 VAL H 1.800 . 4.000 3.623 3.174 4.033 0.033 17 0 "[ . 1 . 2]" 1
12 1 2 ASN QB 1 3 VAL H 1.800 . 3.500 2.852 2.713 3.094 . 0 0 "[ . 1 . 2]" 1
13 1 2 ASN QB 1 17 VAL H 1.800 . 6.500 5.464 4.713 6.015 . 0 0 "[ . 1 . 2]" 1
14 1 3 VAL H 1 3 VAL HB 1.800 . 4.000 3.222 2.614 3.723 . 0 0 "[ . 1 . 2]" 1
15 1 3 VAL H 1 4 THR H 1.800 . 5.000 4.486 4.374 4.528 . 0 0 "[ . 1 . 2]" 1
16 1 3 VAL H 1 16 ALA HA 1.800 . 4.000 3.339 3.055 3.595 . 0 0 "[ . 1 . 2]" 1
17 1 3 VAL H 1 17 VAL H 1.800 . 4.500 4.162 3.791 4.491 . 0 0 "[ . 1 . 2]" 1
18 1 3 VAL HA 1 3 VAL QG 1.800 . 5.000 2.187 2.041 2.315 . 0 0 "[ . 1 . 2]" 1
19 1 3 VAL HA 1 4 THR H 1.800 . 3.000 2.216 2.201 2.227 . 0 0 "[ . 1 . 2]" 1
20 1 3 VAL HA 1 14 GLU HA 1.800 . 5.500 5.025 4.727 5.283 . 0 0 "[ . 1 . 2]" 1
21 1 3 VAL HA 1 14 GLU QB 1.800 . 5.500 4.447 4.059 5.346 . 0 0 "[ . 1 . 2]" 1
22 1 3 VAL HB 1 4 THR H 1.800 . 5.000 3.526 2.947 4.095 . 0 0 "[ . 1 . 2]" 1
23 1 3 VAL QG 1 17 VAL H 1.800 . 5.000 3.253 2.566 3.960 . 0 0 "[ . 1 . 2]" 1
24 1 3 VAL QG 1 54 VAL QG 1.800 . 4.000 2.568 1.788 3.377 0.012 11 0 "[ . 1 . 2]" 1
25 1 3 VAL QG 1 56 ARG H 1.800 . 5.000 4.421 3.833 5.014 0.014 15 0 "[ . 1 . 2]" 1
26 1 4 THR H 1 5 VAL H 1.800 . 5.000 4.411 4.393 4.452 . 0 0 "[ . 1 . 2]" 1
27 1 4 THR H 1 5 VAL QG 1.800 . 5.500 4.270 4.130 5.002 . 0 0 "[ . 1 . 2]" 1
28 1 4 THR H 1 14 GLU HA 1.800 . 5.000 4.598 4.248 4.943 . 0 0 "[ . 1 . 2]" 1
29 1 4 THR H 1 56 ARG HA 1.800 . 5.000 5.020 4.904 5.060 0.060 19 0 "[ . 1 . 2]" 1
30 1 4 THR H 1 56 ARG HE 1.800 . 6.000 5.321 4.477 6.004 0.004 18 0 "[ . 1 . 2]" 1
31 1 4 THR H 1 56 ARG QG 1.800 . 5.000 4.753 4.098 5.019 0.019 12 0 "[ . 1 . 2]" 1
32 1 4 THR HA 1 4 THR MG 1.800 . 4.000 2.253 2.076 2.434 . 0 0 "[ . 1 . 2]" 1
33 1 4 THR HA 1 5 VAL H 1.800 . 4.000 2.129 2.115 2.139 . 0 0 "[ . 1 . 2]" 1
34 1 4 THR HA 1 14 GLU HA 1.800 . 4.000 2.534 2.217 2.860 . 0 0 "[ . 1 . 2]" 1
35 1 4 THR HA 1 14 GLU QG 1.800 . 5.500 2.708 1.922 5.091 . 0 0 "[ . 1 . 2]" 1
36 1 4 THR HA 1 15 VAL H 1.800 . 5.000 3.986 3.761 4.172 . 0 0 "[ . 1 . 2]" 1
37 1 4 THR HB 1 5 VAL H 1.800 . 4.500 4.182 4.064 4.346 . 0 0 "[ . 1 . 2]" 1
38 1 4 THR MG 1 5 VAL H 1.800 . 4.000 3.030 2.864 3.172 . 0 0 "[ . 1 . 2]" 1
39 1 4 THR MG 1 6 GLU H 1.800 . 5.500 4.980 4.689 5.291 . 0 0 "[ . 1 . 2]" 1
40 1 4 THR MG 1 13 SER H 1.800 . 5.500 4.385 3.601 4.659 . 0 0 "[ . 1 . 2]" 1
41 1 4 THR MG 1 14 GLU HA 1.800 . 5.000 4.015 3.752 4.361 . 0 0 "[ . 1 . 2]" 1
42 1 5 VAL H 1 5 VAL QG 1.800 . 5.000 2.001 1.906 2.107 . 0 0 "[ . 1 . 2]" 1
43 1 5 VAL H 1 6 GLU H 1.800 . 5.000 4.444 4.431 4.459 . 0 0 "[ . 1 . 2]" 1
44 1 5 VAL H 1 12 THR HA 1.800 . 5.500 5.323 5.087 5.524 0.024 4 0 "[ . 1 . 2]" 1
45 1 5 VAL H 1 13 SER H 1.800 . 4.000 3.896 3.554 4.014 0.014 5 0 "[ . 1 . 2]" 1
46 1 5 VAL H 1 14 GLU H 1.800 . 6.000 4.818 4.547 5.131 . 0 0 "[ . 1 . 2]" 1
47 1 5 VAL H 1 14 GLU HA 1.800 . 4.000 2.784 2.441 3.186 . 0 0 "[ . 1 . 2]" 1
48 1 5 VAL H 1 15 VAL H 1.800 . 5.000 3.926 3.812 4.073 . 0 0 "[ . 1 . 2]" 1
49 1 5 VAL HA 1 5 VAL QG 1.800 . 5.000 2.191 2.113 2.357 . 0 0 "[ . 1 . 2]" 1
50 1 5 VAL HA 1 6 GLU H 1.800 . 4.000 2.191 2.173 2.211 . 0 0 "[ . 1 . 2]" 1
51 1 5 VAL HA 1 57 VAL H 1.800 . 3.500 3.414 3.200 3.529 0.029 9 0 "[ . 1 . 2]" 1
52 1 5 VAL HB 1 57 VAL H 1.800 . 4.500 4.227 3.359 4.485 . 0 0 "[ . 1 . 2]" 1
53 1 5 VAL HB 1 58 LYS H 1.800 . 5.500 4.769 4.533 5.080 . 0 0 "[ . 1 . 2]" 1
54 1 5 VAL QG 1 6 GLU H 1.800 . 4.500 3.380 2.189 3.463 . 0 0 "[ . 1 . 2]" 1
55 1 5 VAL QG 1 13 SER H 1.800 . 4.500 3.185 2.969 3.444 . 0 0 "[ . 1 . 2]" 1
56 1 5 VAL QG 1 15 VAL H 1.800 . 4.500 2.771 2.445 2.982 . 0 0 "[ . 1 . 2]" 1
57 1 5 VAL QG 1 57 VAL H 1.800 . 4.000 2.273 2.059 3.757 . 0 0 "[ . 1 . 2]" 1
58 1 6 GLU H 1 6 GLU HB2 1.800 . 4.000 2.542 2.199 3.635 . 0 0 "[ . 1 . 2]" 1
59 1 6 GLU H 1 6 GLU HB3 1.800 . 4.000 3.035 2.517 3.646 . 0 0 "[ . 1 . 2]" 1
60 1 6 GLU H 1 7 VAL HA 1.800 . 6.000 5.232 5.180 5.261 . 0 0 "[ . 1 . 2]" 1
61 1 6 GLU H 1 58 LYS HA 1.800 . 4.000 3.072 2.459 3.497 . 0 0 "[ . 1 . 2]" 1
62 1 6 GLU H 1 58 LYS QB 1.800 . 5.500 4.343 3.506 5.105 . 0 0 "[ . 1 . 2]" 1
63 1 6 GLU H 1 59 VAL H 1.800 . 4.500 4.185 3.801 4.405 . 0 0 "[ . 1 . 2]" 1
64 1 6 GLU H 1 59 VAL QG 1.800 . 4.500 4.021 3.808 4.228 . 0 0 "[ . 1 . 2]" 1
65 1 6 GLU HA 1 6 GLU QG 1.800 . 5.000 2.467 2.172 3.368 . 0 0 "[ . 1 . 2]" 1
66 1 6 GLU HA 1 7 VAL H 1.800 . 3.000 2.135 2.117 2.147 . 0 0 "[ . 1 . 2]" 1
67 1 6 GLU HA 1 12 THR HA 1.800 . 3.500 3.249 2.974 3.515 0.015 7 0 "[ . 1 . 2]" 1
68 1 6 GLU QB 1 59 VAL H 1.800 . 5.500 4.745 4.320 5.471 . 0 0 "[ . 1 . 2]" 1
69 1 6 GLU HB2 1 7 VAL H 1.800 . 4.500 4.347 3.503 4.516 0.016 5 0 "[ . 1 . 2]" 1
70 1 7 VAL H 1 7 VAL HB 1.800 . 4.000 2.675 2.595 2.868 . 0 0 "[ . 1 . 2]" 1
71 1 7 VAL H 1 7 VAL QG 1.800 . 4.000 2.212 1.973 2.346 . 0 0 "[ . 1 . 2]" 1
72 1 7 VAL H 1 8 VAL H 1.800 . 5.000 4.536 4.508 4.554 . 0 0 "[ . 1 . 2]" 1
73 1 7 VAL H 1 12 THR H 1.800 . 5.500 5.230 4.946 5.533 0.033 18 0 "[ . 1 . 2]" 1
74 1 7 VAL H 1 12 THR HA 1.800 . 4.000 2.755 2.528 3.531 . 0 0 "[ . 1 . 2]" 1
75 1 7 VAL H 1 13 SER H 1.800 . 5.000 3.601 2.979 3.965 . 0 0 "[ . 1 . 2]" 1
76 1 7 VAL H 1 59 VAL H 1.800 . 5.500 4.935 4.549 5.198 . 0 0 "[ . 1 . 2]" 1
77 1 7 VAL H 1 59 VAL QG 1.800 . 5.000 3.664 3.438 3.841 . 0 0 "[ . 1 . 2]" 1
78 1 7 VAL HA 1 8 VAL H 1.800 . 3.000 2.181 2.170 2.200 . 0 0 "[ . 1 . 2]" 1
79 1 7 VAL HA 1 59 VAL H 1.800 . 4.000 3.210 2.900 3.369 . 0 0 "[ . 1 . 2]" 1
80 1 7 VAL HB 1 7 VAL QG 1.800 . 5.000 1.874 1.865 1.894 . 0 0 "[ . 1 . 2]" 1
81 1 8 VAL H 1 8 VAL HB 1.800 . 4.000 2.702 2.604 3.611 . 0 0 "[ . 1 . 2]" 1
82 1 8 VAL H 1 8 VAL QG 1.800 . 3.000 2.106 1.983 2.243 . 0 0 "[ . 1 . 2]" 1
83 1 8 VAL H 1 9 GLY H 1.800 . 5.000 4.494 4.469 4.512 . 0 0 "[ . 1 . 2]" 1
84 1 8 VAL H 1 58 LYS HA 1.800 . 6.000 5.985 5.685 6.034 0.034 8 0 "[ . 1 . 2]" 1
85 1 8 VAL H 1 59 VAL H 1.800 . 5.000 4.568 4.293 4.745 . 0 0 "[ . 1 . 2]" 1
86 1 8 VAL H 1 59 VAL HB 1.800 . 6.000 5.869 5.646 6.029 0.029 19 0 "[ . 1 . 2]" 1
87 1 8 VAL H 1 59 VAL QG 1.800 . 4.500 3.745 3.341 4.071 . 0 0 "[ . 1 . 2]" 1
88 1 8 VAL H 1 60 LEU HA 1.800 . 4.500 3.961 3.248 4.495 . 0 0 "[ . 1 . 2]" 1
89 1 8 VAL HA 1 8 VAL QG 1.800 . 4.000 2.113 2.047 2.219 . 0 0 "[ . 1 . 2]" 1
90 1 8 VAL HA 1 9 GLY H 1.800 . 5.000 2.147 2.140 2.154 . 0 0 "[ . 1 . 2]" 1
91 1 8 VAL HB 1 8 VAL QG 1.800 . 3.000 1.880 1.870 1.895 . 0 0 "[ . 1 . 2]" 1
92 1 8 VAL HB 1 61 ARG H 1.800 . 4.500 4.422 3.980 4.526 0.026 12 0 "[ . 1 . 2]" 1
93 1 8 VAL QG 1 9 GLY H 1.800 . 5.000 2.724 2.583 3.565 . 0 0 "[ . 1 . 2]" 1
94 1 9 GLY H 1 10 GLU H 1.800 . 4.500 3.583 2.859 4.317 . 0 0 "[ . 1 . 2]" 1
95 1 11 GLU HA 1 12 THR H 1.800 . 5.000 2.675 2.231 3.554 . 0 0 "[ . 1 . 2]" 1
96 1 12 THR H 1 12 THR HB 1.800 . 3.000 2.789 2.530 3.012 0.012 17 0 "[ . 1 . 2]" 1
97 1 12 THR H 1 12 THR MG 1.800 . 5.000 3.434 2.051 3.947 . 0 0 "[ . 1 . 2]" 1
98 1 12 THR H 1 13 SER H 1.800 . 5.000 4.438 4.367 4.505 . 0 0 "[ . 1 . 2]" 1
99 1 12 THR HA 1 12 THR MG 1.800 . 4.000 2.544 2.123 3.239 . 0 0 "[ . 1 . 2]" 1
100 1 12 THR HA 1 13 SER H 1.800 . 3.000 2.160 2.123 2.201 . 0 0 "[ . 1 . 2]" 1
101 1 12 THR HB 1 13 SER H 1.800 . 5.000 4.059 3.816 4.190 . 0 0 "[ . 1 . 2]" 1
102 1 13 SER H 1 13 SER HB2 1.800 . 4.000 2.825 2.290 3.886 . 0 0 "[ . 1 . 2]" 1
103 1 13 SER H 1 13 SER HB3 1.800 . 4.000 3.448 2.598 3.911 . 0 0 "[ . 1 . 2]" 1
104 1 13 SER H 1 14 GLU H 1.800 . 5.000 4.488 4.444 4.558 . 0 0 "[ . 1 . 2]" 1
105 1 13 SER H 1 14 GLU QG 1.800 . 6.000 5.147 4.491 6.039 0.039 20 0 "[ . 1 . 2]" 1
106 1 13 SER HA 1 14 GLU H 1.800 . 4.000 2.388 2.265 2.411 . 0 0 "[ . 1 . 2]" 1
107 1 13 SER HB2 1 14 GLU H 1.800 . 4.000 3.638 2.570 3.999 . 0 0 "[ . 1 . 2]" 1
108 1 13 SER HB3 1 14 GLU H 1.800 . 4.000 2.881 2.440 3.944 . 0 0 "[ . 1 . 2]" 1
109 1 14 GLU H 1 14 GLU QG 1.800 . 5.000 2.804 2.005 3.539 . 0 0 "[ . 1 . 2]" 1
110 1 14 GLU H 1 15 VAL H 1.800 . 5.000 4.473 4.328 4.548 . 0 0 "[ . 1 . 2]" 1
111 1 14 GLU H 1 15 VAL QG 1.800 . 6.000 4.822 3.819 5.300 . 0 0 "[ . 1 . 2]" 1
112 1 14 GLU HA 1 15 VAL H 1.800 . 3.000 2.190 2.156 2.244 . 0 0 "[ . 1 . 2]" 1
113 1 15 VAL H 1 15 VAL HB 1.800 . 4.000 3.306 2.827 3.849 . 0 0 "[ . 1 . 2]" 1
114 1 15 VAL H 1 15 VAL QG 1.800 . 4.000 2.120 1.974 2.585 . 0 0 "[ . 1 . 2]" 1
115 1 15 VAL H 1 16 ALA H 1.800 . 5.000 4.443 4.414 4.480 . 0 0 "[ . 1 . 2]" 1
116 1 15 VAL HA 1 16 ALA H 1.800 . 4.000 2.258 2.178 2.295 . 0 0 "[ . 1 . 2]" 1
117 1 15 VAL HB 1 15 VAL QG 1.800 . 4.000 1.888 1.879 1.896 . 0 0 "[ . 1 . 2]" 1
118 1 15 VAL HB 1 16 ALA H 1.800 . 4.000 3.685 2.709 4.053 0.053 19 0 "[ . 1 . 2]" 1
119 1 15 VAL HB 1 37 VAL HB 1.800 . 5.000 4.832 4.295 5.038 0.038 16 0 "[ . 1 . 2]" 1
120 1 15 VAL QG 1 16 ALA H 1.800 . 4.000 2.461 2.086 3.376 . 0 0 "[ . 1 . 2]" 1
121 1 16 ALA H 1 16 ALA MB 1.800 . 4.000 2.185 2.105 2.304 . 0 0 "[ . 1 . 2]" 1
122 1 16 ALA H 1 17 VAL H 1.800 . 4.500 4.509 4.484 4.544 0.044 18 0 "[ . 1 . 2]" 1
123 1 16 ALA H 1 37 VAL H 1.800 . 6.000 6.023 6.002 6.053 0.053 11 0 "[ . 1 . 2]" 1
124 1 16 ALA HA 1 17 VAL H 1.800 . 3.000 2.152 2.141 2.174 . 0 0 "[ . 1 . 2]" 1
125 1 16 ALA HA 1 18 ASP H 1.800 . 6.500 6.320 6.095 6.405 . 0 0 "[ . 1 . 2]" 1
126 1 16 ALA MB 1 17 VAL H 1.800 . 4.500 3.107 2.951 3.200 . 0 0 "[ . 1 . 2]" 1
127 1 17 VAL H 1 17 VAL HB 1.800 . 4.000 3.682 2.746 3.770 . 0 0 "[ . 1 . 2]" 1
128 1 17 VAL H 1 17 VAL QG 1.800 . 3.500 2.059 1.951 2.501 . 0 0 "[ . 1 . 2]" 1
129 1 17 VAL H 1 20 ASP H 1.800 . 5.500 4.553 4.158 5.309 . 0 0 "[ . 1 . 2]" 1
130 1 17 VAL HA 1 17 VAL QG 1.800 . 4.000 2.170 2.051 2.296 . 0 0 "[ . 1 . 2]" 1
131 1 17 VAL HA 1 18 ASP H 1.800 . 4.000 2.320 2.158 2.410 . 0 0 "[ . 1 . 2]" 1
132 1 17 VAL HB 1 18 ASP H 1.800 . 4.000 2.605 2.341 3.700 . 0 0 "[ . 1 . 2]" 1
133 1 17 VAL HB 1 21 GLY H 1.800 . 6.000 5.959 5.475 6.083 0.083 16 0 "[ . 1 . 2]" 1
134 1 17 VAL QG 1 18 ASP H 1.800 . 4.000 3.157 2.023 3.420 . 0 0 "[ . 1 . 2]" 1
135 1 17 VAL QG 1 19 ASP H 1.800 . 5.000 3.044 1.978 3.359 . 0 0 "[ . 1 . 2]" 1
136 1 17 VAL QG 1 20 ASP H 1.800 . 4.000 2.403 1.935 2.852 . 0 0 "[ . 1 . 2]" 1
137 1 17 VAL QG 1 21 GLY H 1.800 . 5.500 4.465 4.000 4.863 . 0 0 "[ . 1 . 2]" 1
138 1 17 VAL QG 1 22 THR H 1.800 . 6.000 5.422 4.913 5.899 . 0 0 "[ . 1 . 2]" 1
139 1 18 ASP H 1 18 ASP HB2 1.800 . 4.000 2.694 2.123 3.681 . 0 0 "[ . 1 . 2]" 1
140 1 18 ASP H 1 18 ASP HB3 1.800 . 4.000 3.169 2.462 3.636 . 0 0 "[ . 1 . 2]" 1
141 1 18 ASP H 1 21 GLY H 1.800 . 6.000 5.538 5.331 5.821 . 0 0 "[ . 1 . 2]" 1
142 1 18 ASP HA 1 19 ASP H 1.800 . 4.000 3.492 3.410 3.553 . 0 0 "[ . 1 . 2]" 1
143 1 18 ASP QB 1 19 ASP H 1.800 . 4.000 3.025 2.502 3.727 . 0 0 "[ . 1 . 2]" 1
144 1 19 ASP H 1 20 ASP H 1.800 . 4.000 2.789 2.715 2.889 . 0 0 "[ . 1 . 2]" 1
145 1 20 ASP H 1 20 ASP HB3 1.800 . 4.000 2.990 2.594 3.599 . 0 0 "[ . 1 . 2]" 1
146 1 20 ASP H 1 21 GLY H 1.800 . 4.000 2.837 2.523 3.013 . 0 0 "[ . 1 . 2]" 1
147 1 20 ASP HA 1 21 GLY H 1.800 . 4.000 3.560 3.504 3.584 . 0 0 "[ . 1 . 2]" 1
148 1 21 GLY H 1 22 THR H 1.800 . 3.000 2.455 2.271 2.589 . 0 0 "[ . 1 . 2]" 1
149 1 21 GLY H 1 22 THR MG 1.800 . 5.500 4.776 3.982 5.528 0.028 6 0 "[ . 1 . 2]" 1
150 1 21 GLY H 1 53 GLU HB2 1.800 . 6.000 5.952 5.387 6.044 0.044 18 0 "[ . 1 . 2]" 1
151 1 21 GLY H 1 54 VAL QG 1.800 . 6.000 5.434 4.877 5.799 . 0 0 "[ . 1 . 2]" 1
152 1 21 GLY HA2 1 22 THR H 1.800 . 4.000 3.017 3.000 3.030 . 0 0 "[ . 1 . 2]" 1
153 1 21 GLY HA2 1 22 THR HA 1.800 . 5.000 4.600 4.539 4.641 . 0 0 "[ . 1 . 2]" 1
154 1 21 GLY HA2 1 25 ASP H 1.800 . 6.500 5.458 5.121 6.001 . 0 0 "[ . 1 . 2]" 1
155 1 21 GLY HA3 1 22 THR H 1.800 . 4.000 3.495 3.473 3.510 . 0 0 "[ . 1 . 2]" 1
156 1 22 THR H 1 22 THR HB 1.800 . 4.000 3.429 2.935 3.662 . 0 0 "[ . 1 . 2]" 1
157 1 22 THR H 1 23 TYR H 1.800 . 5.000 4.529 4.468 4.591 . 0 0 "[ . 1 . 2]" 1
158 1 22 THR H 1 24 ALA MB 1.800 . 6.000 4.733 4.331 5.180 . 0 0 "[ . 1 . 2]" 1
159 1 22 THR H 1 25 ASP H 1.800 . 4.000 3.614 3.383 3.853 . 0 0 "[ . 1 . 2]" 1
160 1 22 THR H 1 25 ASP HB2 1.800 . 5.000 3.068 2.450 3.604 . 0 0 "[ . 1 . 2]" 1
161 1 22 THR H 1 25 ASP HB3 1.800 . 4.500 3.687 2.571 4.494 . 0 0 "[ . 1 . 2]" 1
162 1 22 THR H 1 26 LEU H 1.800 . 6.000 5.311 4.894 5.615 . 0 0 "[ . 1 . 2]" 1
163 1 22 THR H 1 54 VAL QG 1.800 . 6.000 5.770 5.525 6.037 0.037 4 0 "[ . 1 . 2]" 1
164 1 22 THR HA 1 22 THR MG 1.800 . 4.000 2.212 2.020 2.427 . 0 0 "[ . 1 . 2]" 1
165 1 22 THR HA 1 23 TYR H 1.800 . 4.000 2.541 2.385 2.599 . 0 0 "[ . 1 . 2]" 1
166 1 22 THR HA 1 24 ALA H 1.800 . 5.000 4.424 4.283 4.558 . 0 0 "[ . 1 . 2]" 1
167 1 22 THR HB 1 23 TYR H 1.800 . 4.500 2.328 2.052 2.975 . 0 0 "[ . 1 . 2]" 1
168 1 22 THR HB 1 24 ALA H 1.800 . 3.000 2.632 2.313 3.021 0.021 10 0 "[ . 1 . 2]" 1
169 1 23 TYR H 1 23 TYR HB2 1.800 . 4.000 2.505 2.081 3.599 . 0 0 "[ . 1 . 2]" 1
170 1 23 TYR H 1 23 TYR HB3 1.800 . 4.000 3.148 2.474 3.601 . 0 0 "[ . 1 . 2]" 1
171 1 23 TYR H 1 24 ALA H 1.800 . 5.000 2.726 2.691 2.755 . 0 0 "[ . 1 . 2]" 1
172 1 23 TYR H 1 24 ALA MB 1.800 . 5.000 4.338 4.250 4.394 . 0 0 "[ . 1 . 2]" 1
173 1 23 TYR H 1 25 ASP H 1.800 . 5.000 4.293 4.094 4.412 . 0 0 "[ . 1 . 2]" 1
174 1 23 TYR H 1 26 LEU HB2 1.800 . 6.000 5.752 5.368 5.997 . 0 0 "[ . 1 . 2]" 1
175 1 23 TYR HA 1 26 LEU HB2 1.800 . 5.000 3.178 2.774 3.413 . 0 0 "[ . 1 . 2]" 1
176 1 23 TYR HA 1 26 LEU HB3 1.800 . 6.000 3.819 3.147 4.412 . 0 0 "[ . 1 . 2]" 1
177 1 23 TYR HA 1 26 LEU MD1 1.800 . 6.000 4.869 4.206 5.638 . 0 0 "[ . 1 . 2]" 1
178 1 23 TYR HA 1 26 LEU MD2 1.800 . 5.000 4.264 3.792 4.611 . 0 0 "[ . 1 . 2]" 1
179 1 23 TYR HB2 1 24 ALA H 1.800 . 6.000 3.345 2.695 3.878 . 0 0 "[ . 1 . 2]" 1
180 1 23 TYR HB2 1 26 LEU H 1.800 . 6.000 5.640 5.055 5.888 . 0 0 "[ . 1 . 2]" 1
181 1 23 TYR HB3 1 24 ALA H 1.800 . 6.000 3.383 2.685 4.092 . 0 0 "[ . 1 . 2]" 1
182 1 24 ALA H 1 24 ALA MB 1.800 . 4.000 2.138 2.037 2.235 . 0 0 "[ . 1 . 2]" 1
183 1 24 ALA H 1 25 ASP H 1.800 . 3.000 2.718 2.597 2.762 . 0 0 "[ . 1 . 2]" 1
184 1 24 ALA H 1 26 LEU H 1.800 . 5.000 4.322 4.232 4.423 . 0 0 "[ . 1 . 2]" 1
185 1 24 ALA HA 1 25 ASP H 1.800 . 5.000 3.529 3.518 3.544 . 0 0 "[ . 1 . 2]" 1
186 1 24 ALA HA 1 26 LEU H 1.800 . 4.500 4.328 4.190 4.499 . 0 0 "[ . 1 . 2]" 1
187 1 24 ALA HA 1 27 VAL H 1.800 . 4.000 3.501 3.285 3.593 . 0 0 "[ . 1 . 2]" 1
188 1 24 ALA HA 1 28 ARG H 1.800 . 5.000 4.259 3.872 4.868 . 0 0 "[ . 1 . 2]" 1
189 1 24 ALA MB 1 25 ASP H 1.800 . 4.000 2.714 2.650 2.788 . 0 0 "[ . 1 . 2]" 1
190 1 24 ALA MB 1 27 VAL H 1.800 . 6.000 4.604 4.440 4.733 . 0 0 "[ . 1 . 2]" 1
191 1 25 ASP H 1 25 ASP HB2 1.800 . 4.000 2.537 2.282 2.721 . 0 0 "[ . 1 . 2]" 1
192 1 25 ASP H 1 25 ASP HB3 1.800 . 4.000 2.847 2.440 3.608 . 0 0 "[ . 1 . 2]" 1
193 1 25 ASP H 1 26 LEU H 1.800 . 3.500 2.714 2.613 2.758 . 0 0 "[ . 1 . 2]" 1
194 1 25 ASP H 1 27 VAL HB 1.800 . 6.000 5.594 5.414 6.048 0.048 7 0 "[ . 1 . 2]" 1
195 1 25 ASP H 1 29 ALA H 1.800 . 6.000 5.922 5.717 6.007 0.007 5 0 "[ . 1 . 2]" 1
196 1 25 ASP HA 1 26 LEU H 1.800 . 4.000 3.548 3.534 3.564 . 0 0 "[ . 1 . 2]" 1
197 1 25 ASP HA 1 27 VAL H 1.800 . 5.000 4.319 4.046 4.552 . 0 0 "[ . 1 . 2]" 1
198 1 25 ASP HB2 1 26 LEU H 1.800 . 4.500 3.555 2.597 4.008 . 0 0 "[ . 1 . 2]" 1
199 1 25 ASP HB2 1 27 VAL H 1.800 . 6.000 5.641 4.991 5.990 . 0 0 "[ . 1 . 2]" 1
200 1 25 ASP HB2 1 28 ARG H 1.800 . 6.000 5.720 5.462 5.902 . 0 0 "[ . 1 . 2]" 1
201 1 25 ASP HB3 1 26 LEU H 1.800 . 4.500 2.967 2.525 3.859 . 0 0 "[ . 1 . 2]" 1
202 1 25 ASP HB3 1 27 VAL H 1.800 . 6.000 5.234 4.966 5.763 . 0 0 "[ . 1 . 2]" 1
203 1 26 LEU H 1 26 LEU HB2 1.800 . 4.000 2.231 2.072 2.438 . 0 0 "[ . 1 . 2]" 1
204 1 26 LEU H 1 26 LEU HB3 1.800 . 4.000 2.866 2.570 3.154 . 0 0 "[ . 1 . 2]" 1
205 1 26 LEU H 1 27 VAL HA 1.800 . 6.000 5.341 5.238 5.381 . 0 0 "[ . 1 . 2]" 1
206 1 26 LEU H 1 27 VAL MG1 1.800 . 6.000 5.909 3.984 6.049 0.049 15 0 "[ . 1 . 2]" 1
207 1 26 LEU H 1 28 ARG H 1.800 . 5.000 4.318 4.084 4.474 . 0 0 "[ . 1 . 2]" 1
208 1 26 LEU HA 1 27 VAL H 1.800 . 4.000 3.540 3.520 3.557 . 0 0 "[ . 1 . 2]" 1
209 1 26 LEU HA 1 28 ARG H 1.800 . 5.500 4.748 4.556 4.849 . 0 0 "[ . 1 . 2]" 1
210 1 26 LEU HA 1 29 ALA H 1.800 . 5.000 3.666 3.506 3.771 . 0 0 "[ . 1 . 2]" 1
211 1 26 LEU HA 1 29 ALA MB 1.800 . 5.000 2.647 2.434 2.880 . 0 0 "[ . 1 . 2]" 1
212 1 26 LEU HA 1 30 VAL H 1.800 . 5.500 5.009 4.778 5.307 . 0 0 "[ . 1 . 2]" 1
213 1 26 LEU HB2 1 27 VAL H 1.800 . 6.000 3.603 3.290 3.906 . 0 0 "[ . 1 . 2]" 1
214 1 26 LEU QD 1 27 VAL H 1.800 . 5.000 3.801 3.664 3.976 . 0 0 "[ . 1 . 2]" 1
215 1 26 LEU QD 1 27 VAL HA 1.800 . 4.000 3.888 3.568 4.023 0.023 16 0 "[ . 1 . 2]" 1
216 1 26 LEU MD1 1 29 ALA MB 1.800 . 4.500 3.763 2.989 4.247 . 0 0 "[ . 1 . 2]" 1
217 1 27 VAL H 1 27 VAL HB 1.800 . 4.000 2.636 2.521 2.682 . 0 0 "[ . 1 . 2]" 1
218 1 27 VAL H 1 27 VAL MG2 1.800 . 5.000 2.148 1.975 3.778 . 0 0 "[ . 1 . 2]" 1
219 1 27 VAL H 1 28 ARG H 1.800 . 4.000 2.662 2.556 2.765 . 0 0 "[ . 1 . 2]" 1
220 1 27 VAL H 1 28 ARG HA 1.800 . 5.500 5.270 5.190 5.348 . 0 0 "[ . 1 . 2]" 1
221 1 27 VAL H 1 29 ALA H 1.800 . 4.500 3.967 3.891 4.057 . 0 0 "[ . 1 . 2]" 1
222 1 27 VAL HA 1 27 VAL MG2 1.800 . 5.000 2.450 2.177 2.524 . 0 0 "[ . 1 . 2]" 1
223 1 27 VAL HA 1 28 ARG H 1.800 . 4.000 3.565 3.547 3.579 . 0 0 "[ . 1 . 2]" 1
224 1 27 VAL HA 1 29 ALA H 1.800 . 5.000 4.329 4.226 4.418 . 0 0 "[ . 1 . 2]" 1
225 1 27 VAL HA 1 30 VAL H 1.800 . 4.000 3.764 3.660 3.912 . 0 0 "[ . 1 . 2]" 1
226 1 27 VAL HB 1 28 ARG H 1.800 . 4.000 2.501 2.375 3.886 . 0 0 "[ . 1 . 2]" 1
227 1 27 VAL QG 1 30 VAL HB 1.800 . 5.000 3.974 3.817 4.200 . 0 0 "[ . 1 . 2]" 1
228 1 27 VAL QG 1 31 ASP H 1.800 . 6.000 5.629 5.342 5.921 . 0 0 "[ . 1 . 2]" 1
229 1 27 VAL QG 1 32 LEU H 1.800 . 5.000 4.163 3.571 4.695 . 0 0 "[ . 1 . 2]" 1
230 1 27 VAL MG2 1 28 ARG H 1.800 . 5.000 3.667 3.600 3.778 . 0 0 "[ . 1 . 2]" 1
231 1 28 ARG H 1 29 ALA H 1.800 . 4.000 2.679 2.595 2.725 . 0 0 "[ . 1 . 2]" 1
232 1 28 ARG H 1 30 VAL H 1.800 . 5.000 4.217 4.165 4.254 . 0 0 "[ . 1 . 2]" 1
233 1 28 ARG H 1 32 LEU H 1.800 . 6.000 4.941 4.654 5.279 . 0 0 "[ . 1 . 2]" 1
234 1 28 ARG HA 1 28 ARG HD2 1.800 . 6.000 4.174 2.770 4.815 . 0 0 "[ . 1 . 2]" 1
235 1 28 ARG QB 1 29 ALA H 1.800 . 5.000 2.801 2.669 3.519 . 0 0 "[ . 1 . 2]" 1
236 1 28 ARG QB 1 32 LEU H 1.800 . 4.500 4.368 3.883 4.528 0.028 2 0 "[ . 1 . 2]" 1
237 1 29 ALA H 1 29 ALA MB 1.800 . 4.000 2.154 2.033 2.237 . 0 0 "[ . 1 . 2]" 1
238 1 29 ALA H 1 30 VAL H 1.800 . 3.500 2.755 2.710 2.793 . 0 0 "[ . 1 . 2]" 1
239 1 29 ALA H 1 30 VAL HB 1.800 . 6.000 5.268 5.200 5.417 . 0 0 "[ . 1 . 2]" 1
240 1 29 ALA H 1 32 LEU MD1 1.800 . 6.000 5.552 5.187 5.938 . 0 0 "[ . 1 . 2]" 1
241 1 29 ALA HA 1 30 VAL H 1.800 . 4.000 3.489 3.478 3.503 . 0 0 "[ . 1 . 2]" 1
242 1 29 ALA MB 1 30 VAL H 1.800 . 4.500 2.906 2.824 2.989 . 0 0 "[ . 1 . 2]" 1
243 1 30 VAL H 1 30 VAL QG 1.800 . 4.000 2.206 2.040 2.345 . 0 0 "[ . 1 . 2]" 1
244 1 30 VAL H 1 31 ASP H 1.800 . 4.000 2.806 2.716 2.899 . 0 0 "[ . 1 . 2]" 1
245 1 30 VAL H 1 31 ASP HA 1.800 . 5.500 4.869 4.783 4.980 . 0 0 "[ . 1 . 2]" 1
246 1 30 VAL H 1 31 ASP HB2 1.800 . 6.000 5.539 5.401 5.791 . 0 0 "[ . 1 . 2]" 1
247 1 30 VAL H 1 32 LEU H 1.800 . 4.000 3.669 3.518 3.793 . 0 0 "[ . 1 . 2]" 1
248 1 30 VAL HA 1 31 ASP H 1.800 . 4.000 3.039 3.026 3.082 . 0 0 "[ . 1 . 2]" 1
249 1 30 VAL HA 1 32 LEU QD 1.800 . 4.000 3.964 3.827 4.044 0.044 11 0 "[ . 1 . 2]" 1
250 1 30 VAL HB 1 32 LEU H 1.800 . 4.500 4.144 3.947 4.260 . 0 0 "[ . 1 . 2]" 1
251 1 30 VAL QG 1 31 ASP H 1.800 . 5.500 3.762 3.735 3.782 . 0 0 "[ . 1 . 2]" 1
252 1 30 VAL QG 1 32 LEU H 1.800 . 5.000 4.411 4.255 4.474 . 0 0 "[ . 1 . 2]" 1
253 1 31 ASP H 1 32 LEU H 1.800 . 4.000 2.727 2.681 2.792 . 0 0 "[ . 1 . 2]" 1
254 1 32 LEU H 1 33 SER H 1.800 . 5.000 2.841 2.604 3.753 . 0 0 "[ . 1 . 2]" 1
255 1 32 LEU HA 1 33 SER H 1.800 . 3.500 2.753 2.270 2.914 . 0 0 "[ . 1 . 2]" 1
256 1 32 LEU HB2 1 33 SER H 1.800 . 5.000 4.331 4.199 4.608 . 0 0 "[ . 1 . 2]" 1
257 1 32 LEU HB3 1 33 SER H 1.800 . 5.000 4.350 4.057 4.565 . 0 0 "[ . 1 . 2]" 1
258 1 32 LEU QD 1 33 SER H 1.800 . 5.000 4.547 4.334 4.673 . 0 0 "[ . 1 . 2]" 1
259 1 34 PRO HA 1 35 HIS H 1.800 . 4.500 3.541 3.518 3.552 . 0 0 "[ . 1 . 2]" 1
260 1 34 PRO HA 1 36 GLU H 1.800 . 5.500 4.710 4.494 4.791 . 0 0 "[ . 1 . 2]" 1
261 1 34 PRO HB2 1 35 HIS H 1.800 . 5.000 3.296 2.828 3.475 . 0 0 "[ . 1 . 2]" 1
262 1 34 PRO HB3 1 35 HIS H 1.800 . 5.000 4.137 4.113 4.189 . 0 0 "[ . 1 . 2]" 1
263 1 35 HIS H 1 36 GLU H 1.800 . 5.000 2.505 2.461 2.698 . 0 0 "[ . 1 . 2]" 1
264 1 35 HIS HA 1 36 GLU H 1.800 . 5.000 3.548 3.533 3.554 . 0 0 "[ . 1 . 2]" 1
265 1 35 HIS HA 1 37 VAL H 1.800 . 5.500 5.263 4.620 5.506 0.006 11 0 "[ . 1 . 2]" 1
266 1 35 HIS QB 1 36 GLU H 1.800 . 5.000 2.730 2.534 3.345 . 0 0 "[ . 1 . 2]" 1
267 1 36 GLU H 1 36 GLU HB2 1.800 . 4.000 3.089 2.857 3.970 . 0 0 "[ . 1 . 2]" 1
268 1 36 GLU H 1 36 GLU HB3 1.800 . 4.000 3.791 2.994 4.024 0.024 6 0 "[ . 1 . 2]" 1
269 1 36 GLU H 1 37 VAL H 1.800 . 4.000 3.096 2.887 3.285 . 0 0 "[ . 1 . 2]" 1
270 1 36 GLU H 1 37 VAL QG 1.800 . 4.500 3.584 3.459 3.671 . 0 0 "[ . 1 . 2]" 1
271 1 36 GLU HA 1 37 VAL H 1.800 . 4.000 2.504 2.391 2.721 . 0 0 "[ . 1 . 2]" 1
272 1 37 VAL H 1 37 VAL HB 1.800 . 4.000 3.766 3.516 3.866 . 0 0 "[ . 1 . 2]" 1
273 1 37 VAL H 1 37 VAL QG 1.800 . 3.000 2.056 1.926 2.208 . 0 0 "[ . 1 . 2]" 1
274 1 37 VAL H 1 38 THR H 1.800 . 5.000 4.463 4.415 4.489 . 0 0 "[ . 1 . 2]" 1
275 1 37 VAL HA 1 38 THR H 1.800 . 3.500 2.270 2.238 2.372 . 0 0 "[ . 1 . 2]" 1
276 1 37 VAL HA 1 60 LEU H 1.800 . 5.000 5.000 4.845 5.026 0.026 13 0 "[ . 1 . 2]" 1
277 1 37 VAL HB 1 37 VAL QG 1.800 . 3.500 1.882 1.865 1.895 . 0 0 "[ . 1 . 2]" 1
278 1 37 VAL HB 1 38 THR H 1.800 . 3.500 2.743 2.462 3.042 . 0 0 "[ . 1 . 2]" 1
279 1 37 VAL HB 1 60 LEU H 1.800 . 4.000 3.870 3.528 4.019 0.019 6 0 "[ . 1 . 2]" 1
280 1 37 VAL QG 1 38 THR H 1.800 . 3.500 3.291 2.956 3.365 . 0 0 "[ . 1 . 2]" 1
281 1 37 VAL QG 1 38 THR HA 1.800 . 5.000 4.219 4.055 4.567 . 0 0 "[ . 1 . 2]" 1
282 1 37 VAL QG 1 60 LEU H 1.800 . 5.000 4.191 3.159 4.430 . 0 0 "[ . 1 . 2]" 1
283 1 38 THR H 1 38 THR MG 1.800 . 5.500 3.287 2.036 3.808 . 0 0 "[ . 1 . 2]" 1
284 1 38 THR H 1 39 VAL H 1.800 . 5.000 4.520 4.397 4.578 . 0 0 "[ . 1 . 2]" 1
285 1 38 THR H 1 59 VAL HA 1.800 . 6.000 4.217 3.696 4.426 . 0 0 "[ . 1 . 2]" 1
286 1 38 THR H 1 59 VAL QG 1.800 . 5.500 3.717 3.487 3.994 . 0 0 "[ . 1 . 2]" 1
287 1 38 THR H 1 60 LEU H 1.800 . 4.000 3.403 2.993 3.589 . 0 0 "[ . 1 . 2]" 1
288 1 38 THR H 1 60 LEU HB2 1.800 . 5.500 5.087 4.390 5.508 0.008 19 0 "[ . 1 . 2]" 1
289 1 38 THR H 1 60 LEU HB3 1.800 . 6.000 5.077 4.304 5.991 . 0 0 "[ . 1 . 2]" 1
290 1 38 THR HA 1 39 VAL H 1.800 . 3.000 2.178 2.134 2.209 . 0 0 "[ . 1 . 2]" 1
291 1 38 THR HB 1 39 VAL H 1.800 . 4.500 3.919 3.244 4.288 . 0 0 "[ . 1 . 2]" 1
292 1 38 THR HB 1 60 LEU H 1.800 . 5.500 3.970 2.342 5.190 . 0 0 "[ . 1 . 2]" 1
293 1 38 THR MG 1 39 VAL H 1.800 . 4.000 3.083 2.329 3.995 . 0 0 "[ . 1 . 2]" 1
294 1 38 THR MG 1 39 VAL MG1 1.800 . 6.000 4.602 4.215 4.908 . 0 0 "[ . 1 . 2]" 1
295 1 38 THR MG 1 40 LEU HA 1.800 . 6.000 4.980 4.254 6.020 0.020 6 0 "[ . 1 . 2]" 1
296 1 38 THR MG 1 40 LEU QD 1.800 . 4.500 3.248 2.171 4.190 . 0 0 "[ . 1 . 2]" 1
297 1 38 THR MG 1 60 LEU H 1.800 . 7.000 4.216 2.110 5.460 . 0 0 "[ . 1 . 2]" 1
298 1 39 VAL H 1 39 VAL HB 1.800 . 4.000 3.697 3.655 3.747 . 0 0 "[ . 1 . 2]" 1
299 1 39 VAL H 1 39 VAL MG1 1.800 . 3.500 2.586 2.389 2.881 . 0 0 "[ . 1 . 2]" 1
300 1 39 VAL H 1 39 VAL MG2 1.800 . 4.500 1.989 1.970 2.013 . 0 0 "[ . 1 . 2]" 1
301 1 39 VAL H 1 40 LEU HA 1.800 . 5.500 5.182 5.022 5.314 . 0 0 "[ . 1 . 2]" 1
302 1 39 VAL HA 1 39 VAL MG1 1.800 . 4.000 2.322 2.157 2.440 . 0 0 "[ . 1 . 2]" 1
303 1 39 VAL HA 1 40 LEU H 1.800 . 3.000 2.168 2.151 2.195 . 0 0 "[ . 1 . 2]" 1
304 1 39 VAL HA 1 59 VAL HA 1.800 . 4.000 3.321 2.781 3.647 . 0 0 "[ . 1 . 2]" 1
305 1 39 VAL HA 1 60 LEU H 1.800 . 5.000 4.959 4.490 5.014 0.014 6 0 "[ . 1 . 2]" 1
306 1 39 VAL MG1 1 40 LEU H 1.800 . 6.000 3.943 3.798 4.005 . 0 0 "[ . 1 . 2]" 1
307 1 39 VAL MG2 1 40 LEU H 1.800 . 4.000 3.923 3.798 4.027 0.027 18 0 "[ . 1 . 2]" 1
308 1 39 VAL MG2 1 41 VAL MG2 1.800 . 3.500 3.510 3.490 3.530 0.030 13 0 "[ . 1 . 2]" 1
309 1 39 VAL MG2 1 57 VAL HA 1.800 . 6.000 5.750 5.443 6.014 0.014 9 0 "[ . 1 . 2]" 1
310 1 40 LEU H 1 40 LEU HB3 1.800 . 3.500 3.511 3.428 3.538 0.038 18 0 "[ . 1 . 2]" 1
311 1 40 LEU H 1 41 VAL H 1.800 . 5.000 4.511 4.419 4.610 . 0 0 "[ . 1 . 2]" 1
312 1 40 LEU H 1 58 LYS H 1.800 . 4.000 2.450 2.111 2.830 . 0 0 "[ . 1 . 2]" 1
313 1 40 LEU H 1 59 VAL HA 1.800 . 5.000 4.011 3.546 4.757 . 0 0 "[ . 1 . 2]" 1
314 1 40 LEU H 1 60 LEU H 1.800 . 6.000 5.597 5.081 6.013 0.013 9 0 "[ . 1 . 2]" 1
315 1 40 LEU HA 1 41 VAL H 1.800 . 3.000 2.244 2.171 2.354 . 0 0 "[ . 1 . 2]" 1
316 1 40 LEU HA 1 41 VAL HA 1.800 . 5.000 4.396 4.379 4.435 . 0 0 "[ . 1 . 2]" 1
317 1 40 LEU HB3 1 43 GLY H 1.800 . 6.000 6.049 6.022 6.084 0.084 2 0 "[ . 1 . 2]" 1
318 1 40 LEU QD 1 41 VAL H 1.800 . 4.500 2.964 2.084 3.860 . 0 0 "[ . 1 . 2]" 1
319 1 40 LEU QD 1 43 GLY H 1.800 . 6.000 5.562 5.103 6.005 0.005 1 0 "[ . 1 . 2]" 1
320 1 40 LEU HG 1 58 LYS QG 1.800 . 4.500 4.495 4.383 4.522 0.022 18 0 "[ . 1 . 2]" 1
321 1 41 VAL H 1 41 VAL HB 1.800 . 4.000 2.721 2.610 2.893 . 0 0 "[ . 1 . 2]" 1
322 1 41 VAL H 1 41 VAL MG1 1.800 . 4.500 3.862 3.835 3.909 . 0 0 "[ . 1 . 2]" 1
323 1 41 VAL H 1 41 VAL MG2 1.800 . 4.000 2.440 2.272 2.614 . 0 0 "[ . 1 . 2]" 1
324 1 41 VAL H 1 42 ASP H 1.800 . 5.000 4.399 4.263 4.515 . 0 0 "[ . 1 . 2]" 1
325 1 41 VAL H 1 42 ASP HB3 1.800 . 6.500 6.531 6.437 6.591 0.091 9 0 "[ . 1 . 2]" 1
326 1 41 VAL H 1 44 ARG H 1.800 . 6.000 5.374 4.829 6.080 0.080 20 0 "[ . 1 . 2]" 1
327 1 41 VAL H 1 58 LYS H 1.800 . 6.000 5.179 4.824 5.959 . 0 0 "[ . 1 . 2]" 1
328 1 41 VAL HA 1 41 VAL MG1 1.800 . 4.500 2.303 2.223 2.380 . 0 0 "[ . 1 . 2]" 1
329 1 41 VAL MG1 1 41 VAL MG2 1.800 . 4.000 2.034 1.918 2.090 . 0 0 "[ . 1 . 2]" 1
330 1 41 VAL MG1 1 42 ASP H 1.800 . 6.000 2.566 2.123 2.887 . 0 0 "[ . 1 . 2]" 1
331 1 41 VAL MG1 1 42 ASP HB2 1.800 . 5.000 4.800 4.142 5.030 0.030 19 0 "[ . 1 . 2]" 1
332 1 41 VAL MG2 1 42 ASP H 1.800 . 6.000 4.195 4.037 4.354 . 0 0 "[ . 1 . 2]" 1
333 1 42 ASP H 1 43 GLY H 1.800 . 6.000 4.454 4.423 4.535 . 0 0 "[ . 1 . 2]" 1
334 1 42 ASP H 1 43 GLY HA2 1.800 . 6.000 6.071 5.779 6.243 0.243 4 0 "[ . 1 . 2]" 1
335 1 42 ASP H 1 44 ARG H 1.800 . 6.500 4.733 4.339 5.840 . 0 0 "[ . 1 . 2]" 1
336 1 42 ASP HA 1 43 GLY H 1.800 . 4.000 2.101 2.079 2.152 . 0 0 "[ . 1 . 2]" 1
337 1 42 ASP HB2 1 43 GLY H 1.800 . 4.500 3.857 3.397 4.279 . 0 0 "[ . 1 . 2]" 1
338 1 42 ASP HB2 1 44 ARG H 1.800 . 6.000 5.650 5.184 6.095 0.095 8 0 "[ . 1 . 2]" 1
339 1 42 ASP HB3 1 43 GLY H 1.800 . 5.000 4.278 4.203 4.349 . 0 0 "[ . 1 . 2]" 1
340 1 42 ASP HB3 1 44 ARG H 1.800 . 6.000 5.465 4.807 6.093 0.093 20 0 "[ . 1 . 2]" 1
341 1 43 GLY H 1 44 ARG H 1.800 . 4.500 3.344 1.963 4.045 . 0 0 "[ . 1 . 2]" 1
342 1 43 GLY HA2 1 44 ARG H 1.800 . 5.000 2.847 2.352 3.562 . 0 0 "[ . 1 . 2]" 1
343 1 43 GLY HA3 1 44 ARG H 1.800 . 5.000 3.432 2.457 3.584 . 0 0 "[ . 1 . 2]" 1
344 1 47 PRO HA 1 48 GLU H 1.800 . 3.500 2.730 2.209 3.473 . 0 0 "[ . 1 . 2]" 1
345 1 48 GLU H 1 48 GLU QG 1.800 . 5.000 2.791 1.968 4.047 . 0 0 "[ . 1 . 2]" 1
346 1 48 GLU H 1 49 ASP H 1.800 . 4.000 2.614 2.537 2.716 . 0 0 "[ . 1 . 2]" 1
347 1 48 GLU H 1 50 GLN H 1.800 . 5.000 4.140 3.679 4.477 . 0 0 "[ . 1 . 2]" 1
348 1 48 GLU HA 1 49 ASP H 1.800 . 4.000 3.489 3.420 3.526 . 0 0 "[ . 1 . 2]" 1
349 1 48 GLU QG 1 49 ASP H 1.800 . 4.000 3.498 2.091 4.045 0.045 18 0 "[ . 1 . 2]" 1
350 1 49 ASP H 1 49 ASP HB3 1.800 . 4.000 3.280 2.810 3.692 . 0 0 "[ . 1 . 2]" 1
351 1 49 ASP H 1 50 GLN H 1.800 . 3.500 2.599 2.059 2.832 . 0 0 "[ . 1 . 2]" 1
352 1 49 ASP HA 1 50 GLN H 1.800 . 4.500 3.264 3.074 3.451 . 0 0 "[ . 1 . 2]" 1
353 1 49 ASP HB2 1 50 GLN H 1.800 . 4.500 3.854 3.210 4.432 . 0 0 "[ . 1 . 2]" 1
354 1 50 GLN H 1 50 GLN HB2 1.800 . 3.500 2.600 2.081 3.123 . 0 0 "[ . 1 . 2]" 1
355 1 50 GLN H 1 50 GLN HB3 1.800 . 4.000 3.360 2.523 3.966 . 0 0 "[ . 1 . 2]" 1
356 1 50 GLN H 1 51 SER H 1.800 . 5.500 4.234 2.821 4.642 . 0 0 "[ . 1 . 2]" 1
357 1 50 GLN HA 1 51 SER H 1.800 . 3.000 2.325 2.133 2.740 . 0 0 "[ . 1 . 2]" 1
358 1 50 GLN HB2 1 51 SER H 1.800 . 5.000 4.241 3.570 4.670 . 0 0 "[ . 1 . 2]" 1
359 1 50 GLN HB3 1 51 SER H 1.800 . 4.500 3.547 2.374 4.392 . 0 0 "[ . 1 . 2]" 1
360 1 51 SER H 1 51 SER HB2 1.800 . 3.500 2.744 2.178 3.346 . 0 0 "[ . 1 . 2]" 1
361 1 51 SER H 1 51 SER HB3 1.800 . 4.000 3.276 2.579 3.815 . 0 0 "[ . 1 . 2]" 1
362 1 51 SER HA 1 52 VAL H 1.800 . 3.000 2.496 2.144 2.893 . 0 0 "[ . 1 . 2]" 1
363 1 51 SER HB2 1 52 VAL H 1.800 . 5.000 4.106 3.608 4.678 . 0 0 "[ . 1 . 2]" 1
364 1 51 SER HB3 1 52 VAL H 1.800 . 5.000 3.570 2.466 4.597 . 0 0 "[ . 1 . 2]" 1
365 1 52 VAL H 1 52 VAL HB 1.800 . 4.000 3.505 2.621 3.905 . 0 0 "[ . 1 . 2]" 1
366 1 52 VAL H 1 52 VAL MG1 1.800 . 4.500 3.629 2.365 4.043 . 0 0 "[ . 1 . 2]" 1
367 1 52 VAL H 1 52 VAL MG2 1.800 . 4.000 2.510 1.926 2.826 . 0 0 "[ . 1 . 2]" 1
368 1 52 VAL H 1 53 GLU H 1.800 . 4.500 4.294 3.577 4.532 0.032 5 0 "[ . 1 . 2]" 1
369 1 52 VAL H 1 53 GLU HA 1.800 . 6.000 5.258 4.754 5.876 . 0 0 "[ . 1 . 2]" 1
370 1 52 VAL HA 1 52 VAL MG1 1.800 . 4.500 2.273 2.140 2.408 . 0 0 "[ . 1 . 2]" 1
371 1 52 VAL HA 1 53 GLU H 1.800 . 3.500 2.429 2.189 3.537 0.037 9 0 "[ . 1 . 2]" 1
372 1 52 VAL HA 1 54 VAL H 1.800 . 5.000 4.333 3.992 4.963 . 0 0 "[ . 1 . 2]" 1
373 1 52 VAL HB 1 54 VAL H 1.800 . 4.000 3.314 2.675 4.035 0.035 8 0 "[ . 1 . 2]" 1
374 1 52 VAL MG1 1 53 GLU H 1.800 . 4.500 2.614 1.960 3.927 . 0 0 "[ . 1 . 2]" 1
375 1 52 VAL MG1 1 53 GLU HA 1.800 . 5.500 4.580 3.801 5.533 0.033 7 0 "[ . 1 . 2]" 1
376 1 52 VAL MG1 1 54 VAL H 1.800 . 5.000 2.969 1.941 4.611 . 0 0 "[ . 1 . 2]" 1
377 1 52 VAL MG2 1 53 GLU H 1.800 . 5.500 3.778 2.957 4.353 . 0 0 "[ . 1 . 2]" 1
378 1 53 GLU H 1 53 GLU QG 1.800 . 4.500 2.211 2.044 2.681 . 0 0 "[ . 1 . 2]" 1
379 1 53 GLU H 1 54 VAL H 1.800 . 4.000 2.648 1.953 2.883 . 0 0 "[ . 1 . 2]" 1
380 1 53 GLU H 1 54 VAL QG 1.800 . 5.000 3.784 2.954 4.363 . 0 0 "[ . 1 . 2]" 1
381 1 53 GLU HA 1 54 VAL H 1.800 . 4.000 3.482 3.027 3.567 . 0 0 "[ . 1 . 2]" 1
382 1 53 GLU QG 1 54 VAL H 1.800 . 5.000 2.326 1.944 4.379 . 0 0 "[ . 1 . 2]" 1
383 1 54 VAL H 1 54 VAL HB 1.800 . 4.000 3.644 2.730 3.958 . 0 0 "[ . 1 . 2]" 1
384 1 54 VAL H 1 55 ASP H 1.800 . 5.000 4.499 4.379 4.549 . 0 0 "[ . 1 . 2]" 1
385 1 54 VAL HA 1 54 VAL QG 1.800 . 3.500 2.234 2.052 2.350 . 0 0 "[ . 1 . 2]" 1
386 1 54 VAL HA 1 55 ASP H 1.800 . 3.000 2.398 2.366 2.491 . 0 0 "[ . 1 . 2]" 1
387 1 54 VAL HB 1 55 ASP H 1.800 . 3.500 2.553 2.204 3.462 . 0 0 "[ . 1 . 2]" 1
388 1 54 VAL HB 1 56 ARG H 1.800 . 6.000 5.903 5.706 6.003 0.003 11 0 "[ . 1 . 2]" 1
389 1 54 VAL QG 1 55 ASP H 1.800 . 4.000 2.963 1.944 3.184 . 0 0 "[ . 1 . 2]" 1
390 1 54 VAL QG 1 56 ARG H 1.800 . 5.000 4.954 4.574 5.034 0.034 14 0 "[ . 1 . 2]" 1
391 1 55 ASP H 1 56 ARG H 1.800 . 4.500 4.381 4.336 4.409 . 0 0 "[ . 1 . 2]" 1
392 1 55 ASP HA 1 56 ARG H 1.800 . 3.000 2.318 2.253 2.362 . 0 0 "[ . 1 . 2]" 1
393 1 55 ASP HB2 1 56 ARG H 1.800 . 5.500 3.874 2.614 4.265 . 0 0 "[ . 1 . 2]" 1
394 1 55 ASP HB3 1 56 ARG H 1.800 . 4.500 3.369 2.609 3.903 . 0 0 "[ . 1 . 2]" 1
395 1 56 ARG H 1 56 ARG QG 1.800 . 5.000 4.021 3.942 4.098 . 0 0 "[ . 1 . 2]" 1
396 1 56 ARG H 1 57 VAL H 1.800 . 5.000 4.455 4.434 4.508 . 0 0 "[ . 1 . 2]" 1
397 1 56 ARG HA 1 57 VAL H 1.800 . 4.000 2.143 2.131 2.164 . 0 0 "[ . 1 . 2]" 1
398 1 56 ARG QB 1 57 VAL H 1.800 . 4.500 3.697 3.415 3.780 . 0 0 "[ . 1 . 2]" 1
399 1 56 ARG QG 1 57 VAL H 1.800 . 4.500 2.883 2.714 3.088 . 0 0 "[ . 1 . 2]" 1
400 1 56 ARG QG 1 58 LYS QE 1.800 . 5.500 4.817 3.160 5.510 0.010 5 0 "[ . 1 . 2]" 1
401 1 56 ARG QG 1 58 LYS QG 1.800 . 5.500 5.230 4.747 5.527 0.027 14 0 "[ . 1 . 2]" 1
402 1 57 VAL H 1 58 LYS H 1.800 . 5.000 4.459 4.447 4.473 . 0 0 "[ . 1 . 2]" 1
403 1 57 VAL H 1 59 VAL H 1.800 . 6.500 6.426 6.217 6.512 0.012 2 0 "[ . 1 . 2]" 1
404 1 57 VAL HA 1 58 LYS H 1.800 . 3.000 2.451 2.439 2.465 . 0 0 "[ . 1 . 2]" 1
405 1 58 LYS H 1 58 LYS QE 1.800 . 6.000 4.091 3.062 5.291 . 0 0 "[ . 1 . 2]" 1
406 1 58 LYS H 1 59 VAL H 1.800 . 5.000 4.497 4.419 4.540 . 0 0 "[ . 1 . 2]" 1
407 1 58 LYS HA 1 59 VAL H 1.800 . 3.000 2.206 2.156 2.234 . 0 0 "[ . 1 . 2]" 1
408 1 58 LYS QB 1 59 VAL H 1.800 . 4.000 2.990 2.906 3.160 . 0 0 "[ . 1 . 2]" 1
409 1 58 LYS QD 1 59 VAL H 1.800 . 6.000 4.800 3.631 5.525 . 0 0 "[ . 1 . 2]" 1
410 1 58 LYS QG 1 59 VAL H 1.800 . 5.000 4.471 4.218 4.685 . 0 0 "[ . 1 . 2]" 1
411 1 59 VAL H 1 59 VAL HB 1.800 . 4.000 3.693 3.664 3.762 . 0 0 "[ . 1 . 2]" 1
412 1 59 VAL H 1 59 VAL QG 1.800 . 3.500 1.988 1.905 2.054 . 0 0 "[ . 1 . 2]" 1
413 1 59 VAL H 1 60 LEU H 1.800 . 4.500 4.499 4.434 4.531 0.031 12 0 "[ . 1 . 2]" 1
414 1 59 VAL HA 1 59 VAL QG 1.800 . 3.500 2.225 2.104 2.295 . 0 0 "[ . 1 . 2]" 1
415 1 59 VAL HA 1 60 LEU H 1.800 . 3.000 2.194 2.150 2.219 . 0 0 "[ . 1 . 2]" 1
416 1 59 VAL HB 1 59 VAL QG 1.800 . 4.000 1.892 1.871 1.896 . 0 0 "[ . 1 . 2]" 1
417 1 59 VAL HB 1 60 LEU H 1.800 . 3.500 2.972 2.893 3.168 . 0 0 "[ . 1 . 2]" 1
418 1 59 VAL QG 1 60 LEU H 1.800 . 3.500 3.365 3.304 3.490 . 0 0 "[ . 1 . 2]" 1
419 1 60 LEU H 1 60 LEU HB2 1.800 . 4.000 2.524 2.268 3.679 . 0 0 "[ . 1 . 2]" 1
420 1 60 LEU H 1 60 LEU HB3 1.800 . 4.000 3.105 2.655 3.532 . 0 0 "[ . 1 . 2]" 1
421 1 60 LEU HA 1 60 LEU QD 1.800 . 5.000 2.396 1.888 3.400 . 0 0 "[ . 1 . 2]" 1
422 1 60 LEU HA 1 61 ARG H 1.800 . 3.000 2.154 2.137 2.188 . 0 0 "[ . 1 . 2]" 1
423 1 60 LEU HB3 1 61 ARG H 1.800 . 4.500 3.829 3.415 4.121 . 0 0 "[ . 1 . 2]" 1
424 1 60 LEU QD 1 61 ARG H 1.800 . 4.000 3.039 2.023 4.013 0.013 1 0 "[ . 1 . 2]" 1
425 1 60 LEU QD 1 63 ILE HA 1.800 . 4.000 3.117 1.977 4.044 0.044 14 0 "[ . 1 . 2]" 1
426 1 60 LEU QD 1 63 ILE HB 1.800 . 4.000 3.224 1.930 4.011 0.011 20 0 "[ . 1 . 2]" 1
427 1 61 ARG H 1 61 ARG QD 1.800 . 6.000 4.385 3.710 4.968 . 0 0 "[ . 1 . 2]" 1
428 1 61 ARG H 1 62 LEU H 1.800 . 3.500 2.522 2.165 3.066 . 0 0 "[ . 1 . 2]" 1
429 1 63 ILE HA 1 63 ILE QG 1.800 . 5.000 2.786 2.276 3.390 . 0 0 "[ . 1 . 2]" 1
430 1 63 ILE HA 1 64 LYS H 1.800 . 3.000 2.323 2.206 2.550 . 0 0 "[ . 1 . 2]" 1
431 1 63 ILE HB 1 64 LYS H 1.800 . 4.000 3.414 2.097 4.036 0.036 2 0 "[ . 1 . 2]" 1
432 1 63 ILE MD 1 64 LYS H 1.800 . 4.000 3.242 2.067 3.917 . 0 0 "[ . 1 . 2]" 1
433 1 63 ILE QG 1 64 LYS H 1.800 . 4.500 2.787 2.013 4.190 . 0 0 "[ . 1 . 2]" 1
434 1 63 ILE MG 1 64 LYS H 1.800 . 5.500 3.671 3.434 3.810 . 0 0 "[ . 1 . 2]" 1
435 1 64 LYS HA 1 65 GLY H 1.800 . 4.000 2.611 2.143 3.575 . 0 0 "[ . 1 . 2]" 1
436 1 64 LYS QB 1 65 GLY H 1.800 . 5.500 3.284 2.280 4.012 . 0 0 "[ . 1 . 2]" 1
437 1 65 GLY QA 1 66 GLY H 1.800 . 3.500 2.408 2.119 2.802 . 0 0 "[ . 1 . 2]" 1
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